NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23332 | 2juz | 15462 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 21.829 1.003 16.063 2 H1 MET 1 HT1 MET 1 22.088 3.022 17.355 3 H2 MET 1 HT2 MET 1 23.512 2.101 17.339 4 H3 MET 1 HT3 MET 1 22.526 2.110 18.716 5 HB2 MET 1 HB2 MET 1 21.858 -1.169 17.165 6 HB3 MET 1 HB1 MET 1 23.421 -0.387 17.326 7 HG2 MET 1 HG2 MET 1 21.321 -0.367 19.476 8 HG3 MET 1 HG1 MET 1 22.592 -1.581 19.358 9 HE1 MET 1 HE1 MET 1 25.167 -1.087 19.756 10 HE2 MET 1 HE2 MET 1 25.824 0.545 19.909 11 HE3 MET 1 HE3 MET 1 25.078 0.032 18.395 12 H ALA 2 HN ALA 2 20.690 2.478 18.895 13 HA ALA 2 HA ALA 2 18.145 1.108 18.938 14 HB1 ALA 2 HB1 ALA 2 17.583 2.674 20.726 15 HB2 ALA 2 HB2 ALA 2 19.062 3.580 20.406 16 HB3 ALA 2 HB3 ALA 2 19.156 1.926 21.011 17 H GLN 3 HN GLN 3 16.525 3.413 19.469 18 HA GLN 3 HA GLN 3 15.732 3.992 16.788 19 HB2 GLN 3 HB2 GLN 3 14.738 5.163 19.392 20 HB3 GLN 3 HB1 GLN 3 13.934 5.288 17.832 21 HG2 GLN 3 HG2 GLN 3 13.523 2.934 17.784 22 HG3 GLN 3 HG1 GLN 3 14.501 2.686 19.228 23 HE21 GLN 3 HE21 GLN 3 12.854 1.749 20.378 24 HE22 GLN 3 HE22 GLN 3 11.491 2.648 20.961 25 H HIS 4 HN HIS 4 16.904 5.328 15.599 26 HA HIS 4 HA HIS 4 17.567 7.957 16.752 27 HD1 HIS 4 HD1 HIS 4 20.139 4.449 15.650 28 HD2 HIS 4 HD2 HIS 4 18.919 7.012 12.606 29 HE1 HIS 4 HE1 HIS 4 20.422 3.152 13.508 30 HE2 HIS 4 HE2 HIS 4 19.705 4.730 11.674 31 HB2 HIS 4 HB2 HIS 4 19.575 8.022 15.287 32 HB3 HIS 4 HB1 HIS 4 19.653 6.742 16.492 33 H SER 5 HN SER 5 15.563 6.464 14.768 34 HA SER 5 HA SER 5 15.715 8.168 12.454 35 HG SER 5 HG SER 5 15.112 4.979 12.671 36 HB2 SER 5 HB2 SER 5 13.565 6.261 13.410 37 HB3 SER 5 HB1 SER 5 13.519 7.124 11.874 38 H LYS 6 HN LYS 6 15.353 10.267 12.766 39 HA LYS 6 HA LYS 6 13.426 11.147 14.756 40 HB2 LYS 6 HB2 LYS 6 14.300 13.381 14.329 41 HB3 LYS 6 HB1 LYS 6 15.617 12.254 14.613 42 HG2 LYS 6 HG2 LYS 6 15.955 12.102 12.165 43 HG3 LYS 6 HG1 LYS 6 14.711 13.335 11.953 44 HD2 LYS 6 HD2 LYS 6 16.071 14.848 13.397 45 HD3 LYS 6 HD1 LYS 6 17.342 13.625 13.396 46 HE2 LYS 6 HE2 LYS 6 16.224 15.034 10.976 47 HE3 LYS 6 HE1 LYS 6 17.785 15.349 11.733 48 HZ1 LYS 6 HZ1 LYS 6 17.982 13.934 9.775 49 HZ2 LYS 6 HZ2 LYS 6 16.973 12.773 10.492 50 HZ3 LYS 6 HZ3 LYS 6 18.487 13.117 11.175 51 H TYR 7 HN TYR 7 12.940 9.953 11.922 52 HA TYR 7 HA TYR 7 11.371 10.076 10.296 53 HD1 TYR 7 HD2 TYR 7 10.798 10.252 13.989 54 HD2 TYR 7 HD1 TYR 7 8.067 9.394 10.834 55 HE1 TYR 7 HE2 TYR 7 9.947 8.325 15.258 56 HE2 TYR 7 HE1 TYR 7 7.206 7.467 12.097 57 HH TYR 7 HH TYR 7 7.758 6.004 13.873 58 HB2 TYR 7 HB2 TYR 7 10.064 11.998 12.237 59 HB3 TYR 7 HB1 TYR 7 9.293 11.396 10.776 60 H SER 8 HN SER 8 12.887 10.995 8.857 61 HA SER 8 HA SER 8 12.599 13.878 8.428 62 HG SER 8 HG SER 8 14.449 13.910 9.742 63 HB2 SER 8 HB2 SER 8 14.882 12.062 7.664 64 HB3 SER 8 HB1 SER 8 14.792 13.791 7.319 65 H ASP 9 HN ASP 9 12.066 14.672 6.449 66 HA ASP 9 HA ASP 9 10.764 13.045 4.551 67 HB2 ASP 9 HB2 ASP 9 10.671 14.977 3.144 68 HB3 ASP 9 HB1 ASP 9 10.542 15.572 4.796 69 H ALA 10 HN ALA 10 14.053 14.000 5.026 70 HA ALA 10 HA ALA 10 15.084 13.092 2.540 71 HB1 ALA 10 HB1 ALA 10 16.473 13.442 5.193 72 HB2 ALA 10 HB2 ALA 10 16.297 14.677 3.947 73 HB3 ALA 10 HB3 ALA 10 17.265 13.236 3.631 74 H GLN 11 HN GLN 11 14.558 11.627 5.719 75 HA GLN 11 HA GLN 11 15.921 9.192 5.051 76 HB2 GLN 11 HB2 GLN 11 15.479 10.062 7.402 77 HB3 GLN 11 HB1 GLN 11 13.816 9.527 7.188 78 HG2 GLN 11 HG2 GLN 11 14.612 7.237 6.815 79 HG3 GLN 11 HG1 GLN 11 16.266 7.785 7.079 80 HE21 GLN 11 HE21 GLN 11 14.797 5.789 8.534 81 HE22 GLN 11 HE22 GLN 11 14.751 6.310 10.183 82 H LEU 12 HN LEU 12 12.552 10.251 5.126 83 HA LEU 12 HA LEU 12 11.339 7.848 4.391 84 HG LEU 12 HG LEU 12 9.302 8.989 2.365 85 HB2 LEU 12 HB2 LEU 12 10.053 9.752 5.188 86 HB3 LEU 12 HB1 LEU 12 10.511 10.683 3.774 87 HD11 LEU 12 HD11 LEU 12 8.281 8.056 5.039 88 HD12 LEU 12 HD12 LEU 12 9.314 7.141 3.941 89 HD13 LEU 12 HD13 LEU 12 7.667 7.553 3.465 90 HD21 LEU 12 HD21 LEU 12 8.303 11.138 2.913 91 HD22 LEU 12 HD22 LEU 12 7.670 10.473 4.417 92 HD23 LEU 12 HD23 LEU 12 7.080 9.868 2.869 93 H SER 13 HN SER 13 12.338 10.577 2.304 94 HA SER 13 HA SER 13 11.515 9.454 -0.101 95 HG SER 13 HG SER 13 13.580 12.030 1.446 96 HB2 SER 13 HB2 SER 13 13.220 11.005 -1.155 97 HB3 SER 13 HB1 SER 13 12.047 11.769 -0.084 98 H ALA 14 HN ALA 14 14.581 9.064 1.624 99 HA ALA 14 HA ALA 14 15.956 7.632 -0.355 100 HB1 ALA 14 HB1 ALA 14 16.157 7.313 2.639 101 HB2 ALA 14 HB2 ALA 14 17.027 8.501 1.669 102 HB3 ALA 14 HB3 ALA 14 17.350 6.782 1.453 103 H ILE 15 HN ILE 15 13.700 6.546 2.152 104 HA ILE 15 HA ILE 15 13.968 3.770 1.651 105 HB ILE 15 HB ILE 15 11.616 5.267 2.828 106 HG12 ILE 15 HG12 ILE 15 13.885 3.836 4.229 107 HG13 ILE 15 HG11 ILE 15 13.797 5.582 4.011 108 HG21 ILE 15 HG21 ILE 15 12.334 2.338 2.967 109 HG22 ILE 15 HG22 ILE 15 10.989 3.039 2.069 110 HG23 ILE 15 HG23 ILE 15 11.007 3.114 3.830 111 HD11 ILE 15 HD11 ILE 15 13.089 4.926 6.237 112 HD12 ILE 15 HD12 ILE 15 11.834 3.898 5.546 113 HD13 ILE 15 HD13 ILE 15 11.756 5.648 5.336 114 H VAL 16 HN VAL 16 11.561 6.167 0.559 115 HA VAL 16 HA VAL 16 10.021 4.309 -0.932 116 HB VAL 16 HB VAL 16 10.092 7.178 -1.770 117 HG11 VAL 16 HG11 VAL 16 8.558 5.543 -2.811 118 HG12 VAL 16 HG12 VAL 16 7.715 6.866 -2.008 119 HG13 VAL 16 HG13 VAL 16 7.808 5.283 -1.233 120 HG21 VAL 16 HG21 VAL 16 8.886 6.230 0.825 121 HG22 VAL 16 HG22 VAL 16 8.640 7.818 0.095 122 HG23 VAL 16 HG23 VAL 16 10.246 7.340 0.648 123 H ASN 17 HN ASN 17 12.705 6.438 -1.759 124 HA ASN 17 HA ASN 17 12.735 6.192 -4.529 125 HB2 ASN 17 HB2 ASN 17 14.188 7.760 -3.385 126 HB3 ASN 17 HB1 ASN 17 15.039 6.445 -2.585 127 HD21 ASN 17 HD21 ASN 17 14.636 8.240 -5.514 128 HD22 ASN 17 HD22 ASN 17 16.008 7.583 -6.340 129 H ASP 18 HN ASP 18 14.290 4.140 -2.084 130 HA ASP 18 HA ASP 18 15.478 2.354 -3.910 131 HB2 ASP 18 HB2 ASP 18 16.232 2.597 -1.579 132 HB3 ASP 18 HB1 ASP 18 14.706 1.931 -1.014 133 H MET 19 HN MET 19 12.483 2.206 -1.997 134 HA MET 19 HA MET 19 11.597 -0.308 -2.720 135 HB2 MET 19 HB2 MET 19 10.498 1.183 -1.064 136 HB3 MET 19 HB1 MET 19 9.877 2.159 -2.388 137 HG2 MET 19 HG2 MET 19 8.159 0.684 -1.588 138 HG3 MET 19 HG1 MET 19 8.635 0.207 -3.218 139 HE1 MET 19 HE1 MET 19 8.845 -0.608 0.599 140 HE2 MET 19 HE2 MET 19 10.551 -0.470 0.179 141 HE3 MET 19 HE3 MET 19 9.877 -2.037 0.622 142 H ILE 20 HN ILE 20 11.074 2.758 -4.439 143 HA ILE 20 HA ILE 20 9.608 1.584 -6.575 144 HB ILE 20 HB ILE 20 11.085 4.221 -6.467 145 HG12 ILE 20 HG12 ILE 20 8.149 3.578 -6.087 146 HG13 ILE 20 HG11 ILE 20 9.275 3.973 -4.792 147 HG21 ILE 20 HG21 ILE 20 9.026 3.234 -8.436 148 HG22 ILE 20 HG22 ILE 20 10.735 3.518 -8.767 149 HG23 ILE 20 HG23 ILE 20 9.676 4.872 -8.368 150 HD11 ILE 20 HD11 ILE 20 9.585 6.198 -5.742 151 HD12 ILE 20 HD12 ILE 20 7.888 5.878 -5.378 152 HD13 ILE 20 HD13 ILE 20 8.463 5.799 -7.044 153 H ALA 21 HN ALA 21 13.025 2.473 -6.163 154 HA ALA 21 HA ALA 21 13.797 1.964 -8.838 155 HB1 ALA 21 HB1 ALA 21 15.488 1.930 -6.342 156 HB2 ALA 21 HB2 ALA 21 15.130 3.345 -7.332 157 HB3 ALA 21 HB3 ALA 21 16.086 2.023 -7.999 158 H VAL 22 HN VAL 22 13.627 -0.062 -5.976 159 HA VAL 22 HA VAL 22 14.938 -2.317 -7.107 160 HB VAL 22 HB VAL 22 12.956 -2.178 -4.827 161 HG11 VAL 22 HG11 VAL 22 13.870 -4.343 -4.145 162 HG12 VAL 22 HG12 VAL 22 14.867 -4.376 -5.600 163 HG13 VAL 22 HG13 VAL 22 13.110 -4.430 -5.734 164 HG21 VAL 22 HG21 VAL 22 14.985 -2.322 -3.406 165 HG22 VAL 22 HG22 VAL 22 14.888 -0.827 -4.339 166 HG23 VAL 22 HG23 VAL 22 15.971 -2.128 -4.856 167 H LEU 23 HN LEU 23 11.523 -1.416 -6.714 168 HA LEU 23 HA LEU 23 10.411 -3.657 -7.991 169 HG LEU 23 HG LEU 23 8.123 -2.296 -9.500 170 HB2 LEU 23 HB2 LEU 23 9.114 -2.027 -6.663 171 HB3 LEU 23 HB1 LEU 23 9.371 -0.821 -7.910 172 HD11 LEU 23 HD11 LEU 23 8.465 -4.415 -8.329 173 HD12 LEU 23 HD12 LEU 23 6.751 -4.089 -8.596 174 HD13 LEU 23 HD13 LEU 23 7.458 -3.839 -6.999 175 HD21 LEU 23 HD21 LEU 23 6.648 -1.420 -7.022 176 HD22 LEU 23 HD22 LEU 23 5.916 -1.758 -8.590 177 HD23 LEU 23 HD23 LEU 23 7.041 -0.411 -8.414 178 H GLU 24 HN GLU 24 11.712 -0.652 -9.183 179 HA GLU 24 HA GLU 24 10.958 -0.866 -11.885 180 HB2 GLU 24 HB2 GLU 24 11.679 1.233 -10.979 181 HB3 GLU 24 HB1 GLU 24 13.229 0.560 -10.503 182 HG2 GLU 24 HG2 GLU 24 13.036 0.158 -13.265 183 HG3 GLU 24 HG1 GLU 24 12.461 1.800 -12.964 184 H LYS 25 HN LYS 25 13.664 -2.193 -10.076 185 HA LYS 25 HA LYS 25 15.217 -2.999 -12.301 186 HB2 LYS 25 HB2 LYS 25 15.129 -4.060 -9.473 187 HB3 LYS 25 HB1 LYS 25 16.313 -4.562 -10.671 188 HG2 LYS 25 HG2 LYS 25 15.934 -1.768 -9.616 189 HG3 LYS 25 HG1 LYS 25 17.237 -2.879 -9.188 190 HD2 LYS 25 HD2 LYS 25 18.101 -2.827 -11.423 191 HD3 LYS 25 HD1 LYS 25 16.698 -1.924 -11.997 192 HE2 LYS 25 HE2 LYS 25 18.760 -0.938 -10.028 193 HE3 LYS 25 HE1 LYS 25 18.647 -0.478 -11.725 194 HZ1 LYS 25 HZ1 LYS 25 16.381 0.385 -11.223 195 HZ2 LYS 25 HZ2 LYS 25 17.632 1.222 -10.443 196 HZ3 LYS 25 HZ3 LYS 25 16.692 0.113 -9.575 197 H HIS 26 HN HIS 26 12.795 -4.715 -10.344 198 HA HIS 26 HA HIS 26 12.926 -7.080 -11.973 199 HD1 HIS 26 HD1 HIS 26 11.990 -9.328 -9.048 200 HD2 HIS 26 HD2 HIS 26 9.593 -8.295 -12.295 201 HE1 HIS 26 HE1 HIS 26 10.884 -11.465 -9.789 202 HE2 HIS 26 HE2 HIS 26 9.547 -10.843 -11.836 203 HB2 HIS 26 HB2 HIS 26 12.108 -6.922 -9.533 204 HB3 HIS 26 HB1 HIS 26 10.608 -6.290 -10.199 205 H LYS 27 HN LYS 27 11.170 -4.120 -11.873 206 HA LYS 27 HA LYS 27 9.813 -3.028 -13.281 207 HB2 LYS 27 HB2 LYS 27 11.728 -3.819 -14.856 208 HB3 LYS 27 HB1 LYS 27 10.517 -4.922 -15.495 209 HG2 LYS 27 HG2 LYS 27 10.694 -2.853 -16.802 210 HG3 LYS 27 HG1 LYS 27 9.090 -3.067 -16.096 211 HD2 LYS 27 HD2 LYS 27 9.588 -1.491 -14.347 212 HD3 LYS 27 HD1 LYS 27 11.269 -1.377 -14.871 213 HE2 LYS 27 HE2 LYS 27 8.932 -0.602 -16.606 214 HE3 LYS 27 HE1 LYS 27 9.782 0.534 -15.560 215 HZ1 LYS 27 HZ1 LYS 27 11.027 -1.035 -17.760 216 HZ2 LYS 27 HZ2 LYS 27 11.821 0.084 -16.765 217 HZ3 LYS 27 HZ3 LYS 27 10.610 0.608 -17.832 218 H ALA 28 HN ALA 28 8.122 -3.936 -11.949 219 HA ALA 28 HA ALA 28 6.555 -6.118 -12.997 220 HB1 ALA 28 HB1 ALA 28 5.909 -4.169 -10.784 221 HB2 ALA 28 HB2 ALA 28 6.718 -5.721 -10.578 222 HB3 ALA 28 HB3 ALA 28 5.047 -5.666 -11.139 223 HA PRO 29 HA PRO 29 4.123 -3.613 -15.718 224 HB2 PRO 29 HB2 PRO 29 2.185 -5.370 -16.307 225 HB3 PRO 29 HB1 PRO 29 3.853 -5.615 -16.840 226 HG2 PRO 29 HG2 PRO 29 2.410 -6.836 -14.520 227 HG3 PRO 29 HG1 PRO 29 3.485 -7.611 -15.698 228 HD2 PRO 29 HD2 PRO 29 4.286 -6.839 -13.204 229 HD3 PRO 29 HD1 PRO 29 5.378 -6.938 -14.597 230 H VAL 30 HN VAL 30 3.661 -3.083 -12.926 231 HA VAL 30 HA VAL 30 2.224 -1.844 -11.683 232 HB VAL 30 HB VAL 30 0.335 -2.053 -14.036 233 HG11 VAL 30 HG11 VAL 30 -0.815 -0.133 -13.036 234 HG12 VAL 30 HG12 VAL 30 0.257 -0.222 -11.637 235 HG13 VAL 30 HG13 VAL 30 -0.862 -1.542 -11.976 236 HG21 VAL 30 HG21 VAL 30 2.438 -0.929 -14.588 237 HG22 VAL 30 HG22 VAL 30 2.214 0.166 -13.224 238 HG23 VAL 30 HG23 VAL 30 1.088 0.205 -14.581 239 H ASP 31 HN ASP 31 0.442 -4.379 -13.415 240 HA ASP 31 HA ASP 31 -1.554 -4.825 -11.521 241 HB2 ASP 31 HB2 ASP 31 -1.538 -5.700 -13.855 242 HB3 ASP 31 HB1 ASP 31 -0.317 -6.871 -13.375 243 H LEU 32 HN LEU 32 1.451 -6.683 -11.984 244 HA LEU 32 HA LEU 32 1.133 -8.403 -9.812 245 HG LEU 32 HG LEU 32 2.202 -8.907 -12.580 246 HB2 LEU 32 HB2 LEU 32 3.610 -7.430 -11.217 247 HB3 LEU 32 HB1 LEU 32 3.654 -8.639 -9.947 248 HD11 LEU 32 HD11 LEU 32 3.886 -10.652 -13.025 249 HD12 LEU 32 HD12 LEU 32 4.722 -10.193 -11.539 250 HD13 LEU 32 HD13 LEU 32 4.596 -9.044 -12.871 251 HD21 LEU 32 HD21 LEU 32 2.539 -10.840 -10.292 252 HD22 LEU 32 HD22 LEU 32 1.838 -11.226 -11.863 253 HD23 LEU 32 HD23 LEU 32 1.036 -10.068 -10.802 254 H SER 33 HN SER 33 2.680 -5.221 -9.961 255 HA SER 33 HA SER 33 3.801 -5.347 -7.367 256 HG SER 33 HG SER 33 2.302 -2.896 -9.560 257 HB2 SER 33 HB2 SER 33 3.727 -2.719 -7.749 258 HB3 SER 33 HB1 SER 33 4.853 -3.748 -8.635 259 H LEU 34 HN LEU 34 0.644 -4.407 -8.557 260 HA LEU 34 HA LEU 34 -0.176 -3.161 -6.109 261 HG LEU 34 HG LEU 34 -0.477 -2.258 -9.077 262 HB2 LEU 34 HB2 LEU 34 -1.792 -4.212 -8.431 263 HB3 LEU 34 HB1 LEU 34 -2.468 -3.328 -7.077 264 HD11 LEU 34 HD11 LEU 34 -2.310 -0.820 -9.785 265 HD12 LEU 34 HD12 LEU 34 -3.381 -1.598 -8.620 266 HD13 LEU 34 HD13 LEU 34 -2.731 -2.522 -9.974 267 HD21 LEU 34 HD21 LEU 34 -0.778 -0.113 -7.958 268 HD22 LEU 34 HD22 LEU 34 -0.111 -1.313 -6.851 269 HD23 LEU 34 HD23 LEU 34 -1.816 -0.875 -6.753 270 H ILE 35 HN ILE 35 -0.200 -6.403 -7.405 271 HA ILE 35 HA ILE 35 -1.947 -7.494 -5.426 272 HB ILE 35 HB ILE 35 0.145 -9.009 -6.996 273 HG12 ILE 35 HG12 ILE 35 -2.734 -8.433 -7.748 274 HG13 ILE 35 HG11 ILE 35 -1.327 -7.690 -8.499 275 HG21 ILE 35 HG21 ILE 35 -0.815 -10.237 -5.125 276 HG22 ILE 35 HG22 ILE 35 -1.387 -10.904 -6.655 277 HG23 ILE 35 HG23 ILE 35 -2.443 -9.865 -5.696 278 HD11 ILE 35 HD11 ILE 35 -2.225 -9.483 -9.868 279 HD12 ILE 35 HD12 ILE 35 -1.999 -10.623 -8.542 280 HD13 ILE 35 HD13 ILE 35 -0.600 -9.869 -9.306 281 H ALA 36 HN ALA 36 1.582 -7.282 -5.776 282 HA ALA 36 HA ALA 36 2.313 -8.529 -3.383 283 HB1 ALA 36 HB1 ALA 36 4.406 -7.264 -3.580 284 HB2 ALA 36 HB2 ALA 36 3.668 -6.244 -4.817 285 HB3 ALA 36 HB3 ALA 36 3.923 -7.962 -5.127 286 H LEU 37 HN LEU 37 1.497 -5.179 -4.121 287 HA LEU 37 HA LEU 37 1.809 -4.110 -1.552 288 HG LEU 37 HG LEU 37 1.133 -1.727 -1.426 289 HB2 LEU 37 HB2 LEU 37 1.457 -2.870 -3.727 290 HB3 LEU 37 HB1 LEU 37 -0.239 -3.281 -3.609 291 HD11 LEU 37 HD11 LEU 37 -0.153 -0.628 -3.922 292 HD12 LEU 37 HD12 LEU 37 1.556 -0.526 -3.495 293 HD13 LEU 37 HD13 LEU 37 0.352 0.321 -2.524 294 HD21 LEU 37 HD21 LEU 37 -1.079 -2.658 -0.932 295 HD22 LEU 37 HD22 LEU 37 -1.735 -1.869 -2.364 296 HD23 LEU 37 HD23 LEU 37 -1.134 -0.899 -1.020 297 H GLY 38 HN GLY 38 -1.023 -5.544 -3.163 298 HA2 GLY 38 HA2 GLY 38 -2.852 -5.276 -1.065 299 HA3 GLY 38 HA1 GLY 38 -2.916 -6.521 -2.306 300 H ASN 39 HN ASN 39 -0.740 -8.045 -1.842 301 HA ASN 39 HA ASN 39 -1.379 -9.678 0.303 302 HB2 ASN 39 HB2 ASN 39 0.118 -10.227 -1.648 303 HB3 ASN 39 HB1 ASN 39 1.392 -9.311 -0.856 304 HD21 ASN 39 HD21 ASN 39 1.339 -12.098 -1.610 305 HD22 ASN 39 HD22 ASN 39 1.594 -13.005 -0.163 306 H MET 40 HN MET 40 1.081 -7.103 0.142 307 HA MET 40 HA MET 40 2.049 -7.541 2.786 308 HB2 MET 40 HB2 MET 40 3.366 -6.457 0.983 309 HB3 MET 40 HB1 MET 40 2.300 -5.061 1.080 310 HG2 MET 40 HG2 MET 40 4.380 -4.673 2.271 311 HG3 MET 40 HG1 MET 40 3.004 -4.668 3.374 312 HE1 MET 40 HE1 MET 40 4.819 -4.863 5.372 313 HE2 MET 40 HE2 MET 40 6.130 -4.954 4.195 314 HE3 MET 40 HE3 MET 40 6.007 -6.163 5.474 315 H ALA 41 HN ALA 41 -0.267 -5.256 1.392 316 HA ALA 41 HA ALA 41 -0.718 -3.679 3.659 317 HB1 ALA 41 HB1 ALA 41 -2.692 -4.414 1.497 318 HB2 ALA 41 HB2 ALA 41 -1.532 -3.087 1.426 319 HB3 ALA 41 HB3 ALA 41 -2.834 -3.058 2.617 320 H SER 42 HN SER 42 -2.357 -6.630 2.568 321 HA SER 42 HA SER 42 -4.195 -6.840 4.672 322 HG SER 42 HG SER 42 -3.763 -7.677 1.696 323 HB2 SER 42 HB2 SER 42 -2.860 -9.121 3.190 324 HB3 SER 42 HB1 SER 42 -4.411 -9.171 4.030 325 H ASN 43 HN ASN 43 -0.930 -8.157 4.293 326 HA ASN 43 HA ASN 43 -0.724 -9.581 6.677 327 HB2 ASN 43 HB2 ASN 43 0.900 -9.704 4.821 328 HB3 ASN 43 HB1 ASN 43 1.442 -8.072 5.189 329 HD21 ASN 43 HD21 ASN 43 3.530 -8.657 5.594 330 HD22 ASN 43 HD22 ASN 43 4.003 -9.574 6.980 331 H LEU 44 HN LEU 44 0.106 -6.186 6.007 332 HA LEU 44 HA LEU 44 1.004 -5.646 8.648 333 HG LEU 44 HG LEU 44 2.191 -4.973 5.882 334 HB2 LEU 44 HB2 LEU 44 0.121 -3.801 6.434 335 HB3 LEU 44 HB1 LEU 44 0.819 -3.252 7.947 336 HD11 LEU 44 HD11 LEU 44 2.668 -2.115 6.712 337 HD12 LEU 44 HD12 LEU 44 1.927 -2.642 5.200 338 HD13 LEU 44 HD13 LEU 44 3.615 -3.029 5.539 339 HD21 LEU 44 HD21 LEU 44 2.878 -5.532 8.169 340 HD22 LEU 44 HD22 LEU 44 3.252 -3.835 8.465 341 HD23 LEU 44 HD23 LEU 44 4.173 -4.745 7.268 342 H LEU 45 HN LEU 45 -2.078 -5.078 6.978 343 HA LEU 45 HA LEU 45 -3.236 -3.636 9.138 344 HG LEU 45 HG LEU 45 -3.161 -3.048 6.143 345 HB2 LEU 45 HB2 LEU 45 -4.502 -5.019 6.777 346 HB3 LEU 45 HB1 LEU 45 -5.392 -4.037 7.923 347 HD11 LEU 45 HD11 LEU 45 -6.143 -2.620 5.988 348 HD12 LEU 45 HD12 LEU 45 -5.177 -3.600 4.885 349 HD13 LEU 45 HD13 LEU 45 -4.932 -1.855 4.958 350 HD21 LEU 45 HD21 LEU 45 -3.306 -1.841 8.274 351 HD22 LEU 45 HD22 LEU 45 -5.018 -1.536 7.978 352 HD23 LEU 45 HD23 LEU 45 -3.800 -0.834 6.914 353 H THR 46 HN THR 46 -2.628 -6.944 8.753 354 HA THR 46 HA THR 46 -4.690 -7.547 10.760 355 HB THR 46 HB THR 46 -4.258 -9.953 10.198 356 HG1 THR 46 HG1 THR 46 -2.939 -8.968 7.885 357 HG21 THR 46 HG21 THR 46 -5.125 -8.178 7.915 358 HG22 THR 46 HG22 THR 46 -6.152 -8.765 9.225 359 HG23 THR 46 HG23 THR 46 -5.467 -9.901 8.062 360 H THR 47 HN THR 47 -1.658 -6.530 10.834 361 HA THR 47 HA THR 47 -0.936 -8.300 13.069 362 HB THR 47 HB THR 47 1.022 -7.345 10.977 363 HG1 THR 47 HG1 THR 47 -0.015 -8.959 9.968 364 HG21 THR 47 HG21 THR 47 2.572 -8.912 12.075 365 HG22 THR 47 HG22 THR 47 1.350 -9.244 13.302 366 HG23 THR 47 HG23 THR 47 2.048 -7.631 13.167 367 H SER 48 HN SER 48 -0.379 -5.125 11.518 368 HA SER 48 HA SER 48 0.958 -4.293 14.014 369 HG SER 48 HG SER 48 2.446 -5.348 12.593 370 HB2 SER 48 HB2 SER 48 1.400 -3.284 11.196 371 HB3 SER 48 HB1 SER 48 2.244 -2.709 12.635 372 H VAL 49 HN VAL 49 -1.945 -4.102 13.397 373 HA VAL 49 HA VAL 49 -2.169 -1.181 13.710 374 HB VAL 49 HB VAL 49 -4.390 -1.238 12.699 375 HG11 VAL 49 HG11 VAL 49 -3.737 -1.706 10.367 376 HG12 VAL 49 HG12 VAL 49 -2.259 -2.466 10.958 377 HG13 VAL 49 HG13 VAL 49 -2.540 -0.747 11.235 378 HG21 VAL 49 HG21 VAL 49 -5.052 -3.500 13.275 379 HG22 VAL 49 HG22 VAL 49 -3.833 -4.159 12.183 380 HG23 VAL 49 HG23 VAL 49 -5.198 -3.249 11.536 381 HA PRO 50 HA PRO 50 -4.189 -1.905 17.613 382 HB2 PRO 50 HB2 PRO 50 -6.089 0.214 16.772 383 HB3 PRO 50 HB1 PRO 50 -5.076 0.120 18.217 384 HG2 PRO 50 HG2 PRO 50 -4.473 1.788 16.220 385 HG3 PRO 50 HG1 PRO 50 -3.205 0.933 17.118 386 HD2 PRO 50 HD2 PRO 50 -4.322 0.367 14.403 387 HD3 PRO 50 HD1 PRO 50 -2.647 0.249 14.981 388 H GLN 51 HN GLN 51 -5.692 -3.364 18.156 389 HA GLN 51 HA GLN 51 -7.117 -4.714 16.150 390 HB2 GLN 51 HB2 GLN 51 -7.875 -4.951 19.043 391 HB3 GLN 51 HB1 GLN 51 -7.822 -6.199 17.809 392 HG2 GLN 51 HG2 GLN 51 -5.985 -6.772 19.013 393 HG3 GLN 51 HG1 GLN 51 -5.242 -5.665 17.861 394 HE21 GLN 51 HE21 GLN 51 -4.387 -6.414 20.546 395 HE22 GLN 51 HE22 GLN 51 -4.291 -4.938 21.452 396 H THR 52 HN THR 52 -8.193 -2.414 18.609 397 HA THR 52 HA THR 52 -10.953 -2.727 17.749 398 HB THR 52 HB THR 52 -10.386 -2.633 20.167 399 HG1 THR 52 HG1 THR 52 -11.939 -0.335 19.639 400 HG21 THR 52 HG21 THR 52 -8.572 -0.998 20.055 401 HG22 THR 52 HG22 THR 52 -9.822 -0.483 21.187 402 HG23 THR 52 HG23 THR 52 -9.722 0.255 19.588 403 H GLN 53 HN GLN 53 -8.346 -0.829 16.875 404 HA GLN 53 HA GLN 53 -10.113 1.333 15.930 405 HB2 GLN 53 HB2 GLN 53 -7.208 1.462 16.755 406 HB3 GLN 53 HB1 GLN 53 -8.048 2.768 15.931 407 HG2 GLN 53 HG2 GLN 53 -9.595 2.978 17.788 408 HG3 GLN 53 HG1 GLN 53 -8.823 1.621 18.606 409 HE21 GLN 53 HE21 GLN 53 -6.832 1.913 19.574 410 HE22 GLN 53 HE22 GLN 53 -6.137 3.473 19.845 411 H CYS 54 HN CYS 54 -9.192 -1.294 14.772 412 HA CYS 54 HA CYS 54 -7.339 -0.880 12.719 413 HG CYS 54 HG CYS 54 -9.967 -3.764 14.551 414 HB2 CYS 54 HB2 CYS 54 -8.500 -2.928 11.705 415 HB3 CYS 54 HB1 CYS 54 -7.804 -3.110 13.312 416 H GLU 55 HN GLU 55 -10.874 -0.659 12.722 417 HA GLU 55 HA GLU 55 -11.172 -0.175 9.956 418 HB2 GLU 55 HB2 GLU 55 -12.972 0.682 12.229 419 HB3 GLU 55 HB1 GLU 55 -13.429 0.556 10.535 420 HG2 GLU 55 HG2 GLU 55 -13.261 -1.802 10.569 421 HG3 GLU 55 HG1 GLU 55 -12.452 -1.790 12.136 422 H ALA 56 HN ALA 56 -10.837 1.955 12.741 423 HA ALA 56 HA ALA 56 -11.381 4.390 11.465 424 HB1 ALA 56 HB1 ALA 56 -10.370 5.451 13.386 425 HB2 ALA 56 HB2 ALA 56 -9.594 3.936 13.850 426 HB3 ALA 56 HB3 ALA 56 -11.352 4.082 13.910 427 H LEU 57 HN LEU 57 -8.216 2.934 12.273 428 HA LEU 57 HA LEU 57 -6.723 4.987 11.024 429 HG LEU 57 HG LEU 57 -4.957 4.992 12.668 430 HB2 LEU 57 HB2 LEU 57 -6.075 2.257 12.039 431 HB3 LEU 57 HB1 LEU 57 -4.902 3.091 11.041 432 HD11 LEU 57 HD11 LEU 57 -5.858 4.582 14.902 433 HD12 LEU 57 HD12 LEU 57 -6.559 3.065 14.336 434 HD13 LEU 57 HD13 LEU 57 -7.125 4.599 13.675 435 HD21 LEU 57 HD21 LEU 57 -3.171 3.371 12.737 436 HD22 LEU 57 HD22 LEU 57 -4.153 2.289 13.726 437 HD23 LEU 57 HD23 LEU 57 -3.619 3.839 14.377 438 H ALA 58 HN ALA 58 -7.980 1.921 9.855 439 HA ALA 58 HA ALA 58 -6.598 1.917 7.389 440 HB1 ALA 58 HB1 ALA 58 -9.258 0.676 8.076 441 HB2 ALA 58 HB2 ALA 58 -7.675 -0.076 8.287 442 HB3 ALA 58 HB3 ALA 58 -8.268 0.293 6.666 443 H GLN 59 HN GLN 59 -9.727 3.260 8.391 444 HA GLN 59 HA GLN 59 -10.451 4.199 5.807 445 HB2 GLN 59 HB2 GLN 59 -11.652 4.170 8.358 446 HB3 GLN 59 HB1 GLN 59 -11.530 5.866 7.898 447 HG2 GLN 59 HG2 GLN 59 -13.617 5.186 7.118 448 HG3 GLN 59 HG1 GLN 59 -12.580 5.203 5.694 449 HE21 GLN 59 HE21 GLN 59 -11.281 2.669 6.571 450 HE22 GLN 59 HE22 GLN 59 -12.418 1.429 6.190 451 H ALA 60 HN ALA 60 -8.726 5.606 8.534 452 HA ALA 60 HA ALA 60 -8.523 8.233 7.569 453 HB1 ALA 60 HB1 ALA 60 -8.027 7.610 9.885 454 HB2 ALA 60 HB2 ALA 60 -6.676 8.479 9.157 455 HB3 ALA 60 HB3 ALA 60 -6.597 6.729 9.348 456 H PHE 61 HN PHE 61 -6.314 5.453 7.200 457 HA PHE 61 HA PHE 61 -4.305 6.750 5.747 458 HD1 PHE 61 HD1 PHE 61 -2.048 5.045 6.795 459 HD2 PHE 61 HD2 PHE 61 -3.841 3.887 3.105 460 HE1 PHE 61 HE1 PHE 61 0.180 4.841 5.780 461 HE2 PHE 61 HE2 PHE 61 -1.612 3.683 2.090 462 HZ PHE 61 HZ PHE 61 0.401 4.161 3.425 463 HB2 PHE 61 HB2 PHE 61 -4.345 4.351 6.720 464 HB3 PHE 61 HB1 PHE 61 -5.116 3.895 5.205 465 H SER 62 HN SER 62 -7.118 4.926 4.606 466 HA SER 62 HA SER 62 -6.753 5.320 1.860 467 HG SER 62 HG SER 62 -9.550 3.717 1.183 468 HB2 SER 62 HB2 SER 62 -8.318 3.678 2.895 469 HB3 SER 62 HB1 SER 62 -9.370 5.015 3.356 470 H ASN 63 HN ASN 63 -8.841 7.073 4.130 471 HA ASN 63 HA ASN 63 -9.934 8.961 2.450 472 HB2 ASN 63 HB2 ASN 63 -10.546 8.531 4.845 473 HB3 ASN 63 HB1 ASN 63 -9.113 9.430 5.322 474 HD21 ASN 63 HD21 ASN 63 -12.307 9.587 4.063 475 HD22 ASN 63 HD22 ASN 63 -12.485 11.309 4.137 476 H SER 64 HN SER 64 -6.883 9.139 4.247 477 HA SER 64 HA SER 64 -6.228 11.780 3.534 478 HG SER 64 HG SER 64 -3.593 11.744 3.408 479 HB2 SER 64 HB2 SER 64 -5.162 10.496 5.389 480 HB3 SER 64 HB1 SER 64 -4.314 9.526 4.187 481 H LEU 65 HN LEU 65 -5.689 8.694 1.933 482 HA LEU 65 HA LEU 65 -3.960 9.783 -0.075 483 HG LEU 65 HG LEU 65 -3.978 7.081 1.751 484 HB2 LEU 65 HB2 LEU 65 -5.524 7.202 -0.093 485 HB3 LEU 65 HB1 LEU 65 -4.237 7.629 -1.204 486 HD11 LEU 65 HD11 LEU 65 -2.529 5.257 0.991 487 HD12 LEU 65 HD12 LEU 65 -2.893 5.676 -0.684 488 HD13 LEU 65 HD13 LEU 65 -4.175 5.093 0.381 489 HD21 LEU 65 HD21 LEU 65 -2.512 8.926 1.158 490 HD22 LEU 65 HD22 LEU 65 -1.875 8.002 -0.202 491 HD23 LEU 65 HD23 LEU 65 -1.575 7.459 1.449 492 H ILE 66 HN ILE 66 -7.417 9.063 0.162 493 HA ILE 66 HA ILE 66 -8.102 9.609 -2.511 494 HB ILE 66 HB ILE 66 -9.875 10.277 -0.161 495 HG12 ILE 66 HG12 ILE 66 -9.044 8.035 0.233 496 HG13 ILE 66 HG11 ILE 66 -10.715 7.947 -0.304 497 HG21 ILE 66 HG21 ILE 66 -11.683 9.718 -1.692 498 HG22 ILE 66 HG22 ILE 66 -10.513 9.323 -2.951 499 HG23 ILE 66 HG23 ILE 66 -10.661 10.984 -2.373 500 HD11 ILE 66 HD11 ILE 66 -8.285 7.413 -1.996 501 HD12 ILE 66 HD12 ILE 66 -9.958 7.325 -2.543 502 HD13 ILE 66 HD13 ILE 66 -9.371 6.204 -1.310 503 H ASN 67 HN ASN 67 -7.907 11.714 0.335 504 HA ASN 67 HA ASN 67 -8.588 14.128 -0.929 505 HB2 ASN 67 HB2 ASN 67 -8.516 14.003 1.482 506 HB3 ASN 67 HB1 ASN 67 -6.805 13.591 1.456 507 HD21 ASN 67 HD21 ASN 67 -5.295 15.186 1.174 508 HD22 ASN 67 HD22 ASN 67 -5.677 16.870 1.204 509 H ALA 68 HN ALA 68 -5.486 12.470 -0.554 510 HA ALA 68 HA ALA 68 -3.857 14.466 -1.677 511 HB1 ALA 68 HB1 ALA 68 -2.213 12.694 -2.024 512 HB2 ALA 68 HB2 ALA 68 -3.450 11.474 -1.717 513 HB3 ALA 68 HB3 ALA 68 -2.952 12.570 -0.428 514 H VAL 69 HN VAL 69 -5.584 11.745 -3.150 515 HA VAL 69 HA VAL 69 -4.747 12.182 -5.804 516 HB VAL 69 HB VAL 69 -7.346 10.989 -4.811 517 HG11 VAL 69 HG11 VAL 69 -7.508 9.944 -7.023 518 HG12 VAL 69 HG12 VAL 69 -6.075 10.830 -7.544 519 HG13 VAL 69 HG13 VAL 69 -7.550 11.703 -7.132 520 HG21 VAL 69 HG21 VAL 69 -5.386 9.784 -4.014 521 HG22 VAL 69 HG22 VAL 69 -4.764 9.679 -5.659 522 HG23 VAL 69 HG23 VAL 69 -6.248 8.833 -5.225 523 H LYS 70 HN LYS 70 -7.498 13.447 -3.962 524 HA LYS 70 HA LYS 70 -8.799 14.822 -6.010 525 HB2 LYS 70 HB2 LYS 70 -8.618 15.404 -3.054 526 HB3 LYS 70 HB1 LYS 70 -9.622 16.345 -4.146 527 HG2 LYS 70 HG2 LYS 70 -9.884 13.404 -3.552 528 HG3 LYS 70 HG1 LYS 70 -10.962 14.695 -3.011 529 HD2 LYS 70 HD2 LYS 70 -11.409 15.206 -5.425 530 HD3 LYS 70 HD1 LYS 70 -10.510 13.743 -5.836 531 HE2 LYS 70 HE2 LYS 70 -12.106 12.497 -4.314 532 HE3 LYS 70 HE1 LYS 70 -13.078 13.969 -4.281 533 HZ1 LYS 70 HZ1 LYS 70 -13.943 12.570 -5.969 534 HZ2 LYS 70 HZ2 LYS 70 -12.411 12.291 -6.635 535 HZ3 LYS 70 HZ3 LYS 70 -13.129 13.827 -6.765 536 H THR 71 HN THR 71 -6.380 16.085 -3.701 537 HA THR 71 HA THR 71 -6.292 18.640 -4.973 538 HB THR 71 HB THR 71 -4.206 17.507 -3.099 539 HG1 THR 71 HG1 THR 71 -6.648 18.831 -2.426 540 HG21 THR 71 HG21 THR 71 -3.952 19.853 -2.424 541 HG22 THR 71 HG22 THR 71 -5.184 20.323 -3.597 542 HG23 THR 71 HG23 THR 71 -3.650 19.649 -4.151 543 H ARG 72 HN ARG 72 -4.733 15.624 -5.573 544 HA ARG 72 HA ARG 72 -2.495 16.646 -7.022 545 HE ARG 72 HE ARG 72 -1.066 16.229 -6.879 546 HB2 ARG 72 HB2 ARG 72 -2.576 14.330 -6.167 547 HB3 ARG 72 HB1 ARG 72 -3.896 13.973 -7.272 548 HG2 ARG 72 HG2 ARG 72 -2.144 13.144 -8.463 549 HG3 ARG 72 HG1 ARG 72 -2.170 14.798 -9.075 550 HD2 ARG 72 HD2 ARG 72 -0.361 13.664 -6.956 551 HD3 ARG 72 HD1 ARG 72 0.095 14.185 -8.573 552 HH11 ARG 72 HH11 ARG 72 1.859 14.753 -8.121 553 HH12 ARG 72 HH12 ARG 72 2.882 16.066 -7.608 554 HH21 ARG 72 HH21 ARG 72 0.255 17.951 -6.233 555 HH22 ARG 72 HH22 ARG 72 1.966 17.893 -6.552 556 H LEU 73 HN LEU 73 -5.549 15.175 -8.048 557 HA LEU 73 HA LEU 73 -5.302 15.844 -10.778 558 HG LEU 73 HG LEU 73 -8.338 16.248 -11.373 559 HB2 LEU 73 HB2 LEU 73 -6.799 14.086 -9.932 560 HB3 LEU 73 HB1 LEU 73 -7.785 15.305 -9.148 561 HD11 LEU 73 HD11 LEU 73 -6.834 13.847 -12.401 562 HD12 LEU 73 HD12 LEU 73 -6.382 15.539 -12.612 563 HD13 LEU 73 HD13 LEU 73 -7.843 14.915 -13.375 564 HD21 LEU 73 HD21 LEU 73 -8.959 13.313 -11.075 565 HD22 LEU 73 HD22 LEU 73 -9.870 14.485 -12.028 566 HD23 LEU 73 HD23 LEU 73 -9.815 14.629 -10.271 567 H GLU 74 HN GLU 74 -7.130 17.373 -8.134 568 HA GLU 74 HA GLU 74 -7.688 19.684 -9.827 569 HB2 GLU 74 HB2 GLU 74 -9.317 18.485 -8.125 570 HB3 GLU 74 HB1 GLU 74 -8.489 19.488 -6.946 571 HG2 GLU 74 HG2 GLU 74 -10.040 20.430 -9.344 572 HG3 GLU 74 HG1 GLU 74 -10.516 20.552 -7.653 573 H HIS 75 HN HIS 75 -5.843 20.819 -10.018 574 HA HIS 75 HA HIS 75 -4.585 21.774 -7.531 575 HD1 HIS 75 HD1 HIS 75 -2.840 18.559 -10.237 576 HD2 HIS 75 HD2 HIS 75 -3.244 22.456 -11.633 577 HE1 HIS 75 HE1 HIS 75 -2.737 18.396 -12.744 578 HE2 HIS 75 HE2 HIS 75 -3.222 20.733 -13.560 579 HB2 HIS 75 HB2 HIS 75 -2.389 21.756 -8.786 580 HB3 HIS 75 HB1 HIS 75 -3.037 20.170 -8.384 581 H HIS 76 HN HIS 76 -6.499 22.717 -9.804 582 HA HIS 76 HA HIS 76 -5.107 25.268 -10.346 583 HD1 HIS 76 HD1 HIS 76 -7.524 25.359 -14.310 584 HD2 HIS 76 HD2 HIS 76 -4.485 26.806 -11.863 585 HE1 HIS 76 HE1 HIS 76 -6.668 27.433 -15.443 586 HE2 HIS 76 HE2 HIS 76 -4.985 28.405 -13.839 587 HB2 HIS 76 HB2 HIS 76 -5.748 23.655 -12.297 588 HB3 HIS 76 HB1 HIS 76 -7.392 24.209 -12.001 589 H HIS 77 HN HIS 77 -6.231 25.009 -7.980 590 HA HIS 77 HA HIS 77 -8.918 25.078 -7.520 591 HD1 HIS 77 HD1 HIS 77 -7.961 23.105 -6.134 592 HD2 HIS 77 HD2 HIS 77 -4.927 25.618 -4.780 593 HE1 HIS 77 HE1 HIS 77 -6.156 21.590 -5.245 594 HE2 HIS 77 HE2 HIS 77 -4.248 23.127 -4.652 595 HB2 HIS 77 HB2 HIS 77 -7.034 26.812 -5.932 596 HB3 HIS 77 HB1 HIS 77 -8.463 25.957 -5.368 597 H HIS 78 HN HIS 78 -6.950 28.052 -7.473 598 HA HIS 78 HA HIS 78 -9.314 29.644 -7.870 599 HD1 HIS 78 HD1 HIS 78 -5.413 29.381 -5.965 600 HD2 HIS 78 HD2 HIS 78 -5.470 31.540 -9.523 601 HE1 HIS 78 HE1 HIS 78 -3.022 29.480 -6.742 602 HE2 HIS 78 HE2 HIS 78 -3.112 30.617 -8.991 603 HB2 HIS 78 HB2 HIS 78 -7.744 31.581 -7.839 604 HB3 HIS 78 HB1 HIS 78 -7.635 30.562 -6.412 605 H HIS 79 HN HIS 79 -10.160 30.178 -9.708 606 HA HIS 79 HA HIS 79 -10.492 30.620 -11.897 607 HD1 HIS 79 HD1 HIS 79 -10.438 32.243 -13.997 608 HD2 HIS 79 HD2 HIS 79 -6.601 30.719 -14.508 609 HE1 HIS 79 HE1 HIS 79 -9.998 32.327 -16.470 610 HE2 HIS 79 HE2 HIS 79 -7.758 31.207 -16.772 611 HB2 HIS 79 HB2 HIS 79 -8.665 32.209 -11.792 612 HB3 HIS 79 HB1 HIS 79 -7.482 30.919 -11.971 613 H HIS 80 HN HIS 80 -11.357 28.711 -12.488 614 HA HIS 80 HA HIS 80 -9.558 26.596 -13.416 615 HD1 HIS 80 HD1 HIS 80 -12.263 26.167 -10.254 616 HD2 HIS 80 HD2 HIS 80 -9.741 23.813 -12.583 617 HE1 HIS 80 HE1 HIS 80 -11.223 24.512 -8.674 618 HE2 HIS 80 HE2 HIS 80 -9.555 23.234 -10.065 619 HB2 HIS 80 HB2 HIS 80 -12.461 26.681 -12.679 620 HB3 HIS 80 HB1 HIS 80 -11.892 25.435 -13.783 621 HA MET 1 HA MET 1 -4.336 -21.067 -0.138 622 H1 MET 1 HT1 MET 1 -6.667 -20.759 0.239 623 H2 MET 1 HT2 MET 1 -6.259 -22.376 0.527 624 H3 MET 1 HT3 MET 1 -7.061 -21.946 -0.905 625 HB2 MET 1 HB2 MET 1 -4.853 -23.556 -0.820 626 HB3 MET 1 HB1 MET 1 -4.971 -22.887 -2.440 627 HG2 MET 1 HG2 MET 1 -2.564 -22.592 -0.660 628 HG3 MET 1 HG1 MET 1 -2.757 -23.856 -1.870 629 HE1 MET 1 HE1 MET 1 -0.225 -21.994 -1.814 630 HE2 MET 1 HE2 MET 1 -0.065 -21.571 -3.519 631 HE3 MET 1 HE3 MET 1 -0.495 -23.216 -3.057 632 H ALA 2 HN ALA 2 -6.395 -21.606 -2.998 633 HA ALA 2 HA ALA 2 -7.140 -20.262 -4.659 634 HB1 ALA 2 HB1 ALA 2 -7.955 -18.878 -2.807 635 HB2 ALA 2 HB2 ALA 2 -7.512 -17.916 -4.217 636 HB3 ALA 2 HB3 ALA 2 -6.436 -17.983 -2.821 637 H GLN 3 HN GLN 3 -6.518 -18.397 -6.159 638 HA GLN 3 HA GLN 3 -3.716 -18.687 -6.865 639 HB2 GLN 3 HB2 GLN 3 -5.929 -17.119 -8.207 640 HB3 GLN 3 HB1 GLN 3 -4.306 -17.322 -8.846 641 HG2 GLN 3 HG2 GLN 3 -4.713 -19.776 -8.915 642 HG3 GLN 3 HG1 GLN 3 -6.387 -19.455 -8.457 643 HE21 GLN 3 HE21 GLN 3 -3.992 -19.204 -10.954 644 HE22 GLN 3 HE22 GLN 3 -5.079 -18.815 -12.240 645 H HIS 4 HN HIS 4 -2.272 -16.930 -7.078 646 HA HIS 4 HA HIS 4 -3.099 -14.491 -5.644 647 HD1 HIS 4 HD1 HIS 4 0.042 -17.763 -4.754 648 HD2 HIS 4 HD2 HIS 4 -3.094 -15.756 -2.899 649 HE1 HIS 4 HE1 HIS 4 -0.831 -19.340 -3.001 650 HE2 HIS 4 HE2 HIS 4 -2.914 -18.222 -2.129 651 HB2 HIS 4 HB2 HIS 4 -0.253 -15.496 -5.661 652 HB3 HIS 4 HB1 HIS 4 -1.006 -14.349 -4.557 653 H SER 5 HN SER 5 -0.905 -15.898 -8.043 654 HA SER 5 HA SER 5 -1.280 -13.451 -9.640 655 HG SER 5 HG SER 5 1.458 -12.662 -10.622 656 HB2 SER 5 HB2 SER 5 1.019 -13.477 -8.752 657 HB3 SER 5 HB1 SER 5 1.265 -15.084 -9.435 658 H LYS 6 HN LYS 6 -1.981 -13.811 -11.675 659 HA LYS 6 HA LYS 6 -2.596 -16.518 -12.458 660 HB2 LYS 6 HB2 LYS 6 -2.893 -14.110 -14.237 661 HB3 LYS 6 HB1 LYS 6 -3.836 -15.590 -14.232 662 HG2 LYS 6 HG2 LYS 6 -4.700 -14.887 -11.966 663 HG3 LYS 6 HG1 LYS 6 -3.957 -13.315 -12.278 664 HD2 LYS 6 HD2 LYS 6 -5.258 -13.318 -14.468 665 HD3 LYS 6 HD1 LYS 6 -6.167 -14.675 -13.802 666 HE2 LYS 6 HE2 LYS 6 -7.479 -12.843 -13.252 667 HE3 LYS 6 HE1 LYS 6 -6.556 -13.124 -11.777 668 HZ1 LYS 6 HZ1 LYS 6 -5.908 -11.109 -13.865 669 HZ2 LYS 6 HZ2 LYS 6 -5.028 -11.366 -12.437 670 HZ3 LYS 6 HZ3 LYS 6 -6.613 -10.780 -12.360 671 H TYR 7 HN TYR 7 -0.050 -14.307 -12.952 672 HA TYR 7 HA TYR 7 0.799 -15.456 -15.491 673 HD1 TYR 7 HD1 TYR 7 0.619 -12.306 -12.678 674 HD2 TYR 7 HD2 TYR 7 0.400 -12.563 -16.916 675 HE1 TYR 7 HE1 TYR 7 -1.101 -10.563 -12.680 676 HE2 TYR 7 HE2 TYR 7 -1.332 -10.811 -16.931 677 HH TYR 7 HH TYR 7 -2.128 -9.017 -14.031 678 HB2 TYR 7 HB2 TYR 7 2.379 -13.407 -13.966 679 HB3 TYR 7 HB1 TYR 7 2.218 -13.613 -15.708 680 H SER 8 HN SER 8 2.537 -14.604 -12.519 681 HA SER 8 HA SER 8 3.553 -17.314 -12.315 682 HG SER 8 HG SER 8 6.679 -17.172 -12.488 683 HB2 SER 8 HB2 SER 8 5.261 -16.141 -13.627 684 HB3 SER 8 HB1 SER 8 5.345 -14.877 -12.399 685 H ASP 9 HN ASP 9 2.616 -17.748 -10.436 686 HA ASP 9 HA ASP 9 2.246 -15.970 -8.282 687 HB2 ASP 9 HB2 ASP 9 1.381 -18.468 -8.838 688 HB3 ASP 9 HB1 ASP 9 2.670 -18.857 -7.706 689 H ALA 10 HN ALA 10 4.938 -17.737 -9.438 690 HA ALA 10 HA ALA 10 6.511 -17.689 -7.049 691 HB1 ALA 10 HB1 ALA 10 7.353 -18.061 -9.925 692 HB2 ALA 10 HB2 ALA 10 6.915 -19.346 -8.801 693 HB3 ALA 10 HB3 ALA 10 8.355 -18.373 -8.508 694 H GLN 11 HN GLN 11 6.511 -15.790 -10.083 695 HA GLN 11 HA GLN 11 8.530 -13.997 -9.302 696 HB2 GLN 11 HB2 GLN 11 6.254 -13.692 -11.247 697 HB3 GLN 11 HB1 GLN 11 7.426 -12.412 -10.968 698 HG2 GLN 11 HG2 GLN 11 9.099 -14.443 -11.460 699 HG3 GLN 11 HG1 GLN 11 7.702 -14.969 -12.403 700 HE21 GLN 11 HE21 GLN 11 8.804 -14.656 -14.355 701 HE22 GLN 11 HE22 GLN 11 9.100 -13.070 -14.983 702 H LEU 12 HN LEU 12 5.013 -13.878 -8.846 703 HA LEU 12 HA LEU 12 4.885 -11.319 -7.724 704 HG LEU 12 HG LEU 12 3.009 -11.996 -5.331 705 HB2 LEU 12 HB2 LEU 12 2.851 -12.518 -8.299 706 HB3 LEU 12 HB1 LEU 12 3.196 -13.742 -7.089 707 HD11 LEU 12 HD11 LEU 12 3.537 -10.050 -6.673 708 HD12 LEU 12 HD12 LEU 12 1.965 -9.857 -5.899 709 HD13 LEU 12 HD13 LEU 12 2.060 -10.273 -7.609 710 HD21 LEU 12 HD21 LEU 12 1.107 -13.422 -5.804 711 HD22 LEU 12 HD22 LEU 12 0.575 -12.318 -7.071 712 HD23 LEU 12 HD23 LEU 12 0.576 -11.790 -5.385 713 H SER 13 HN SER 13 5.178 -14.474 -6.094 714 HA SER 13 HA SER 13 5.414 -13.527 -3.495 715 HG SER 13 HG SER 13 4.627 -16.260 -5.040 716 HB2 SER 13 HB2 SER 13 6.747 -15.975 -4.672 717 HB3 SER 13 HB1 SER 13 6.433 -15.684 -2.961 718 H ALA 14 HN ALA 14 7.911 -13.981 -5.961 719 HA ALA 14 HA ALA 14 10.160 -13.423 -4.388 720 HB1 ALA 14 HB1 ALA 14 9.737 -12.824 -7.317 721 HB2 ALA 14 HB2 ALA 14 10.286 -14.363 -6.648 722 HB3 ALA 14 HB3 ALA 14 11.291 -12.922 -6.491 723 H ILE 15 HN ILE 15 8.030 -11.264 -6.229 724 HA ILE 15 HA ILE 15 9.455 -8.885 -5.759 725 HB ILE 15 HB ILE 15 6.500 -9.267 -6.276 726 HG12 ILE 15 HG12 ILE 15 8.754 -8.506 -8.147 727 HG13 ILE 15 HG11 ILE 15 8.013 -10.101 -8.053 728 HG21 ILE 15 HG21 ILE 15 6.500 -6.902 -6.952 729 HG22 ILE 15 HG22 ILE 15 8.171 -6.758 -6.409 730 HG23 ILE 15 HG23 ILE 15 6.893 -7.106 -5.246 731 HD11 ILE 15 HD11 ILE 15 7.160 -8.828 -9.939 732 HD12 ILE 15 HD12 ILE 15 6.618 -7.556 -8.844 733 HD13 ILE 15 HD13 ILE 15 5.884 -9.158 -8.766 734 H VAL 16 HN VAL 16 6.666 -10.295 -4.035 735 HA VAL 16 HA VAL 16 6.439 -8.217 -2.127 736 HB VAL 16 HB VAL 16 5.677 -11.006 -1.361 737 HG11 VAL 16 HG11 VAL 16 5.214 -9.061 0.096 738 HG12 VAL 16 HG12 VAL 16 3.755 -9.917 -0.404 739 HG13 VAL 16 HG13 VAL 16 4.190 -8.392 -1.179 740 HG21 VAL 16 HG21 VAL 16 5.066 -10.928 -3.715 741 HG22 VAL 16 HG22 VAL 16 4.213 -9.408 -3.456 742 HG23 VAL 16 HG23 VAL 16 3.628 -10.887 -2.694 743 H ASN 17 HN ASN 17 8.249 -11.224 -2.202 744 HA ASN 17 HA ASN 17 9.144 -11.262 0.463 745 HB2 ASN 17 HB2 ASN 17 9.277 -13.209 -1.031 746 HB3 ASN 17 HB1 ASN 17 10.464 -12.374 -2.028 747 HD21 ASN 17 HD21 ASN 17 9.875 -14.072 0.916 748 HD22 ASN 17 HD22 ASN 17 11.536 -14.229 1.403 749 H ASP 18 HN ASP 18 10.679 -9.987 -2.487 750 HA ASP 18 HA ASP 18 13.027 -9.118 -1.125 751 HB2 ASP 18 HB2 ASP 18 12.971 -9.713 -3.539 752 HB3 ASP 18 HB1 ASP 18 11.984 -8.289 -3.843 753 H MET 19 HN MET 19 9.943 -7.690 -1.897 754 HA MET 19 HA MET 19 10.516 -4.995 -1.397 755 HB2 MET 19 HB2 MET 19 8.390 -5.733 -2.353 756 HB3 MET 19 HB1 MET 19 7.980 -6.556 -0.854 757 HG2 MET 19 HG2 MET 19 7.856 -4.445 0.311 758 HG3 MET 19 HG1 MET 19 8.377 -3.587 -1.138 759 HE1 MET 19 HE1 MET 19 5.947 -6.657 -0.999 760 HE2 MET 19 HE2 MET 19 4.376 -5.868 -0.862 761 HE3 MET 19 HE3 MET 19 5.527 -5.775 0.471 762 H ILE 20 HN ILE 20 9.620 -7.625 0.800 763 HA ILE 20 HA ILE 20 9.714 -6.086 3.185 764 HB ILE 20 HB ILE 20 10.181 -9.056 2.822 765 HG12 ILE 20 HG12 ILE 20 7.654 -7.564 3.564 766 HG13 ILE 20 HG11 ILE 20 7.985 -8.244 1.974 767 HG21 ILE 20 HG21 ILE 20 9.608 -9.247 5.185 768 HG22 ILE 20 HG22 ILE 20 9.448 -7.495 5.299 769 HG23 ILE 20 HG23 ILE 20 11.023 -8.217 4.964 770 HD11 ILE 20 HD11 ILE 20 6.520 -9.692 3.237 771 HD12 ILE 20 HD12 ILE 20 7.700 -9.784 4.544 772 HD13 ILE 20 HD13 ILE 20 8.074 -10.482 2.968 773 H ALA 21 HN ALA 21 12.081 -7.997 1.409 774 HA ALA 21 HA ALA 21 14.190 -7.875 3.251 775 HB1 ALA 21 HB1 ALA 21 14.114 -9.392 1.305 776 HB2 ALA 21 HB2 ALA 21 15.632 -8.501 1.425 777 HB3 ALA 21 HB3 ALA 21 14.411 -8.011 0.247 778 H VAL 22 HN VAL 22 13.456 -5.742 0.481 779 HA VAL 22 HA VAL 22 15.705 -4.070 0.883 780 HB VAL 22 HB VAL 22 14.677 -2.504 -0.657 781 HG11 VAL 22 HG11 VAL 22 14.410 -3.977 -2.578 782 HG12 VAL 22 HG12 VAL 22 14.209 -5.359 -1.498 783 HG13 VAL 22 HG13 VAL 22 15.751 -4.501 -1.556 784 HG21 VAL 22 HG21 VAL 22 12.441 -2.869 -1.569 785 HG22 VAL 22 HG22 VAL 22 12.381 -2.576 0.171 786 HG23 VAL 22 HG23 VAL 22 12.203 -4.217 -0.456 787 H LEU 23 HN LEU 23 12.482 -4.087 2.230 788 HA LEU 23 HA LEU 23 12.565 -1.558 3.486 789 HG LEU 23 HG LEU 23 11.226 -2.389 6.162 790 HB2 LEU 23 HB2 LEU 23 10.515 -2.896 3.270 791 HB3 LEU 23 HB1 LEU 23 11.183 -4.103 4.351 792 HD11 LEU 23 HD11 LEU 23 9.674 -0.736 4.172 793 HD12 LEU 23 HD12 LEU 23 11.303 -0.395 4.761 794 HD13 LEU 23 HD13 LEU 23 9.935 -0.342 5.873 795 HD21 LEU 23 HD21 LEU 23 8.806 -2.422 6.557 796 HD22 LEU 23 HD22 LEU 23 9.405 -3.989 6.010 797 HD23 LEU 23 HD23 LEU 23 8.547 -2.930 4.889 798 H GLU 24 HN GLU 24 13.367 -4.806 4.687 799 HA GLU 24 HA GLU 24 14.390 -4.011 7.185 800 HB2 GLU 24 HB2 GLU 24 14.986 -6.446 5.498 801 HB3 GLU 24 HB1 GLU 24 15.523 -6.247 7.161 802 HG2 GLU 24 HG2 GLU 24 12.639 -6.184 6.318 803 HG3 GLU 24 HG1 GLU 24 13.475 -7.637 6.863 804 H LYS 25 HN LYS 25 15.792 -4.146 4.015 805 HA LYS 25 HA LYS 25 18.507 -3.912 4.675 806 HB2 LYS 25 HB2 LYS 25 17.749 -4.482 2.436 807 HB3 LYS 25 HB1 LYS 25 16.954 -2.925 2.274 808 HG2 LYS 25 HG2 LYS 25 19.172 -1.832 2.396 809 HG3 LYS 25 HG1 LYS 25 19.917 -3.432 2.426 810 HD2 LYS 25 HD2 LYS 25 19.895 -2.443 0.164 811 HD3 LYS 25 HD1 LYS 25 18.973 -3.946 0.253 812 HE2 LYS 25 HE2 LYS 25 16.899 -2.703 0.382 813 HE3 LYS 25 HE1 LYS 25 17.782 -1.178 0.411 814 HZ1 LYS 25 HZ1 LYS 25 17.707 -3.112 -1.848 815 HZ2 LYS 25 HZ2 LYS 25 18.600 -1.670 -1.820 816 HZ3 LYS 25 HZ3 LYS 25 16.906 -1.613 -1.777 817 H HIS 26 HN HIS 26 15.910 -1.572 4.651 818 HA HIS 26 HA HIS 26 17.846 0.610 4.990 819 HD1 HIS 26 HD1 HIS 26 15.958 0.164 1.653 820 HD2 HIS 26 HD2 HIS 26 17.592 3.445 3.620 821 HE1 HIS 26 HE1 HIS 26 17.283 1.410 -0.082 822 HE2 HIS 26 HE2 HIS 26 18.380 3.307 1.157 823 HB2 HIS 26 HB2 HIS 26 15.056 0.480 4.001 824 HB3 HIS 26 HB1 HIS 26 15.527 1.940 4.869 825 H LYS 27 HN LYS 27 15.619 -1.280 6.753 826 HA LYS 27 HA LYS 27 14.998 -1.339 8.929 827 HB2 LYS 27 HB2 LYS 27 17.205 0.693 9.314 828 HB3 LYS 27 HB1 LYS 27 16.359 -0.137 10.611 829 HG2 LYS 27 HG2 LYS 27 18.126 -1.389 8.520 830 HG3 LYS 27 HG1 LYS 27 18.483 -1.192 10.238 831 HD2 LYS 27 HD2 LYS 27 16.594 -2.658 10.782 832 HD3 LYS 27 HD1 LYS 27 16.270 -2.865 9.062 833 HE2 LYS 27 HE2 LYS 27 18.608 -3.762 8.840 834 HE3 LYS 27 HE1 LYS 27 18.693 -3.762 10.602 835 HZ1 LYS 27 HZ1 LYS 27 18.045 -5.920 9.909 836 HZ2 LYS 27 HZ2 LYS 27 16.836 -5.311 8.894 837 HZ3 LYS 27 HZ3 LYS 27 16.664 -5.189 10.570 838 H ALA 28 HN ALA 28 12.972 -0.455 8.319 839 HA ALA 28 HA ALA 28 12.618 2.333 9.203 840 HB1 ALA 28 HB1 ALA 28 12.363 2.185 6.784 841 HB2 ALA 28 HB2 ALA 28 10.821 2.561 7.555 842 HB3 ALA 28 HB3 ALA 28 11.143 0.925 6.977 843 HA PRO 29 HA PRO 29 9.667 0.538 12.041 844 HB2 PRO 29 HB2 PRO 29 8.447 2.858 12.773 845 HB3 PRO 29 HB1 PRO 29 10.018 2.354 13.409 846 HG2 PRO 29 HG2 PRO 29 9.387 4.300 11.225 847 HG3 PRO 29 HG1 PRO 29 10.591 4.422 12.522 848 HD2 PRO 29 HD2 PRO 29 11.241 3.715 9.989 849 HD3 PRO 29 HD1 PRO 29 12.109 3.093 11.406 850 H VAL 30 HN VAL 30 7.294 0.493 12.277 851 HA VAL 30 HA VAL 30 5.993 -0.012 9.893 852 HB VAL 30 HB VAL 30 5.221 -0.919 12.019 853 HG11 VAL 30 HG11 VAL 30 4.293 1.878 12.653 854 HG12 VAL 30 HG12 VAL 30 5.591 0.995 13.459 855 HG13 VAL 30 HG13 VAL 30 3.926 0.434 13.598 856 HG21 VAL 30 HG21 VAL 30 2.793 -0.610 11.712 857 HG22 VAL 30 HG22 VAL 30 3.643 -0.911 10.196 858 HG23 VAL 30 HG23 VAL 30 3.125 0.724 10.605 859 H ASP 31 HN ASP 31 6.182 2.999 11.696 860 HA ASP 31 HA ASP 31 4.145 4.444 10.435 861 HB2 ASP 31 HB2 ASP 31 6.787 5.604 11.332 862 HB3 ASP 31 HB1 ASP 31 5.236 6.430 11.225 863 H LEU 32 HN LEU 32 7.620 4.758 9.791 864 HA LEU 32 HA LEU 32 7.365 6.248 7.453 865 HG LEU 32 HG LEU 32 9.238 6.345 9.880 866 HB2 LEU 32 HB2 LEU 32 9.616 4.450 8.347 867 HB3 LEU 32 HB1 LEU 32 9.724 5.568 7.003 868 HD11 LEU 32 HD11 LEU 32 11.693 6.649 8.155 869 HD12 LEU 32 HD12 LEU 32 11.507 5.518 9.495 870 HD13 LEU 32 HD13 LEU 32 11.496 7.254 9.800 871 HD21 LEU 32 HD21 LEU 32 9.565 8.636 9.083 872 HD22 LEU 32 HD22 LEU 32 8.174 7.879 8.305 873 HD23 LEU 32 HD23 LEU 32 9.694 8.044 7.427 874 H SER 33 HN SER 33 7.433 2.769 7.928 875 HA SER 33 HA SER 33 7.770 2.027 5.234 876 HG SER 33 HG SER 33 6.317 -0.055 4.979 877 HB2 SER 33 HB2 SER 33 8.046 0.437 7.084 878 HB3 SER 33 HB1 SER 33 6.326 0.557 7.459 879 H LEU 34 HN LEU 34 4.903 2.849 7.129 880 HA LEU 34 HA LEU 34 3.083 2.244 4.996 881 HG LEU 34 HG LEU 34 2.985 1.336 7.908 882 HB2 LEU 34 HB2 LEU 34 2.730 3.763 7.575 883 HB3 LEU 34 HB1 LEU 34 1.429 3.470 6.438 884 HD11 LEU 34 HD11 LEU 34 0.170 2.352 8.282 885 HD12 LEU 34 HD12 LEU 34 1.522 2.591 9.391 886 HD13 LEU 34 HD13 LEU 34 0.881 0.969 9.114 887 HD21 LEU 34 HD21 LEU 34 2.243 0.573 5.716 888 HD22 LEU 34 HD22 LEU 34 0.604 1.127 6.065 889 HD23 LEU 34 HD23 LEU 34 1.304 -0.198 6.996 890 H ILE 35 HN ILE 35 4.765 5.102 6.166 891 HA ILE 35 HA ILE 35 3.312 7.013 4.680 892 HB ILE 35 HB ILE 35 6.247 7.250 5.351 893 HG12 ILE 35 HG12 ILE 35 5.078 6.611 7.395 894 HG13 ILE 35 HG11 ILE 35 5.544 8.306 7.472 895 HG21 ILE 35 HG21 ILE 35 5.756 9.641 5.424 896 HG22 ILE 35 HG22 ILE 35 4.071 9.311 5.025 897 HG23 ILE 35 HG23 ILE 35 5.341 8.949 3.855 898 HD11 ILE 35 HD11 ILE 35 3.266 8.965 6.944 899 HD12 ILE 35 HD12 ILE 35 3.321 7.935 8.376 900 HD13 ILE 35 HD13 ILE 35 2.794 7.269 6.826 901 H ALA 36 HN ALA 36 6.300 5.224 3.954 902 HA ALA 36 HA ALA 36 6.731 6.249 1.381 903 HB1 ALA 36 HB1 ALA 36 8.115 4.249 1.028 904 HB2 ALA 36 HB2 ALA 36 7.451 3.539 2.500 905 HB3 ALA 36 HB3 ALA 36 8.436 4.999 2.592 906 H LEU 37 HN LEU 37 4.877 3.469 2.520 907 HA LEU 37 HA LEU 37 4.149 2.483 -0.020 908 HG LEU 37 HG LEU 37 1.363 1.372 0.654 909 HB2 LEU 37 HB2 LEU 37 4.012 1.196 2.101 910 HB3 LEU 37 HB1 LEU 37 2.662 2.200 2.593 911 HD11 LEU 37 HD11 LEU 37 3.224 0.833 -0.826 912 HD12 LEU 37 HD12 LEU 37 2.179 -0.569 -0.590 913 HD13 LEU 37 HD13 LEU 37 3.723 -0.467 0.257 914 HD21 LEU 37 HD21 LEU 37 0.969 -0.880 1.532 915 HD22 LEU 37 HD22 LEU 37 1.113 0.309 2.829 916 HD23 LEU 37 HD23 LEU 37 2.460 -0.773 2.472 917 H GLY 38 HN GLY 38 2.616 4.789 2.183 918 HA2 GLY 38 HA2 GLY 38 0.211 5.140 0.777 919 HA3 GLY 38 HA1 GLY 38 0.940 6.322 1.853 920 H ASN 39 HN ASN 39 3.254 6.986 0.576 921 HA ASN 39 HA ASN 39 2.423 8.725 -1.477 922 HB2 ASN 39 HB2 ASN 39 5.130 7.777 -0.557 923 HB3 ASN 39 HB1 ASN 39 4.971 8.823 -1.967 924 HD21 ASN 39 HD21 ASN 39 4.579 8.575 1.488 925 HD22 ASN 39 HD22 ASN 39 4.468 10.275 1.787 926 H MET 40 HN MET 40 4.006 5.572 -1.557 927 HA MET 40 HA MET 40 4.401 5.392 -4.331 928 HB2 MET 40 HB2 MET 40 5.509 3.914 -2.750 929 HB3 MET 40 HB1 MET 40 3.968 3.225 -2.269 930 HG2 MET 40 HG2 MET 40 3.684 2.287 -4.505 931 HG3 MET 40 HG1 MET 40 5.225 2.993 -4.995 932 HE1 MET 40 HE1 MET 40 6.016 0.550 -5.815 933 HE2 MET 40 HE2 MET 40 4.464 -0.104 -5.295 934 HE3 MET 40 HE3 MET 40 5.964 -0.875 -4.777 935 H ALA 41 HN ALA 41 1.758 4.116 -2.308 936 HA ALA 41 HA ALA 41 0.245 2.904 -4.293 937 HB1 ALA 41 HB1 ALA 41 -1.642 3.073 -2.761 938 HB2 ALA 41 HB2 ALA 41 -0.793 4.298 -1.819 939 HB3 ALA 41 HB3 ALA 41 -0.174 2.648 -1.881 940 H SER 42 HN SER 42 -0.037 6.207 -3.034 941 HA SER 42 HA SER 42 -2.173 6.984 -4.686 942 HG SER 42 HG SER 42 -0.882 7.700 -1.753 943 HB2 SER 42 HB2 SER 42 -0.054 8.760 -3.453 944 HB3 SER 42 HB1 SER 42 -1.670 9.244 -3.964 945 H ASN 43 HN ASN 43 1.344 7.360 -5.056 946 HA ASN 43 HA ASN 43 1.245 9.027 -7.319 947 HB2 ASN 43 HB2 ASN 43 3.257 8.773 -5.925 948 HB3 ASN 43 HB1 ASN 43 3.439 7.114 -6.490 949 HD21 ASN 43 HD21 ASN 43 4.266 6.733 -8.518 950 HD22 ASN 43 HD22 ASN 43 4.946 7.975 -9.507 951 H LEU 44 HN LEU 44 1.336 5.503 -7.020 952 HA LEU 44 HA LEU 44 1.753 5.002 -9.780 953 HG LEU 44 HG LEU 44 2.844 3.682 -7.101 954 HB2 LEU 44 HB2 LEU 44 0.535 3.252 -7.644 955 HB3 LEU 44 HB1 LEU 44 0.972 2.704 -9.252 956 HD11 LEU 44 HD11 LEU 44 2.563 1.016 -8.473 957 HD12 LEU 44 HD12 LEU 44 2.051 1.393 -6.827 958 HD13 LEU 44 HD13 LEU 44 3.764 1.432 -7.250 959 HD21 LEU 44 HD21 LEU 44 3.472 2.878 -9.939 960 HD22 LEU 44 HD22 LEU 44 4.647 3.279 -8.684 961 HD23 LEU 44 HD23 LEU 44 3.544 4.516 -9.292 962 H LEU 45 HN LEU 45 -1.171 5.072 -7.780 963 HA LEU 45 HA LEU 45 -2.962 4.355 -9.829 964 HG LEU 45 HG LEU 45 -2.680 3.648 -6.840 965 HB2 LEU 45 HB2 LEU 45 -3.435 5.952 -7.312 966 HB3 LEU 45 HB1 LEU 45 -4.704 5.315 -8.343 967 HD11 LEU 45 HD11 LEU 45 -4.272 4.739 -5.353 968 HD12 LEU 45 HD12 LEU 45 -4.566 3.003 -5.439 969 HD13 LEU 45 HD13 LEU 45 -5.611 4.118 -6.318 970 HD21 LEU 45 HD21 LEU 45 -5.099 2.835 -8.453 971 HD22 LEU 45 HD22 LEU 45 -4.069 1.754 -7.514 972 HD23 LEU 45 HD23 LEU 45 -3.415 2.594 -8.920 973 H THR 46 HN THR 46 -1.405 7.351 -9.084 974 HA THR 46 HA THR 46 -3.349 8.831 -10.695 975 HB THR 46 HB THR 46 -1.966 10.847 -9.955 976 HG1 THR 46 HG1 THR 46 -1.037 9.078 -7.929 977 HG21 THR 46 HG21 THR 46 -4.138 10.304 -8.980 978 HG22 THR 46 HG22 THR 46 -3.036 10.919 -7.748 979 HG23 THR 46 HG23 THR 46 -3.365 9.189 -7.854 980 H THR 47 HN THR 47 -1.000 6.956 -11.556 981 HA THR 47 HA THR 47 -0.058 8.780 -13.660 982 HB THR 47 HB THR 47 1.713 6.738 -12.305 983 HG1 THR 47 HG1 THR 47 1.551 8.330 -10.817 984 HG21 THR 47 HG21 THR 47 3.515 7.882 -13.514 985 HG22 THR 47 HG22 THR 47 2.331 8.945 -14.274 986 HG23 THR 47 HG23 THR 47 2.322 7.217 -14.628 987 H SER 48 HN SER 48 -0.322 5.366 -12.662 988 HA SER 48 HA SER 48 0.242 4.457 -15.335 989 HG SER 48 HG SER 48 2.015 2.870 -13.689 990 HB2 SER 48 HB2 SER 48 -0.631 2.867 -12.917 991 HB3 SER 48 HB1 SER 48 0.124 2.230 -14.380 992 H VAL 49 HN VAL 49 -2.634 4.825 -13.351 993 HA VAL 49 HA VAL 49 -4.215 3.596 -15.511 994 HB VAL 49 HB VAL 49 -5.923 3.123 -13.666 995 HG11 VAL 49 HG11 VAL 49 -4.611 1.370 -14.736 996 HG12 VAL 49 HG12 VAL 49 -4.798 1.041 -13.014 997 HG13 VAL 49 HG13 VAL 49 -3.273 1.679 -13.628 998 HG21 VAL 49 HG21 VAL 49 -4.997 2.871 -11.406 999 HG22 VAL 49 HG22 VAL 49 -4.969 4.550 -11.944 1000 HG23 VAL 49 HG23 VAL 49 -3.486 3.597 -11.955 1001 HA PRO 50 HA PRO 50 -6.705 7.150 -16.194 1002 HB2 PRO 50 HB2 PRO 50 -9.271 6.182 -15.671 1003 HB3 PRO 50 HB1 PRO 50 -8.416 6.068 -17.211 1004 HG2 PRO 50 HG2 PRO 50 -8.698 4.041 -15.041 1005 HG3 PRO 50 HG1 PRO 50 -8.708 3.815 -16.801 1006 HD2 PRO 50 HD2 PRO 50 -6.559 3.190 -15.355 1007 HD3 PRO 50 HD1 PRO 50 -6.388 3.947 -16.953 1008 H GLN 51 HN GLN 51 -6.998 8.885 -15.014 1009 HA GLN 51 HA GLN 51 -6.771 8.955 -12.256 1010 HB2 GLN 51 HB2 GLN 51 -7.984 11.057 -14.055 1011 HB3 GLN 51 HB1 GLN 51 -7.396 11.324 -12.420 1012 HG2 GLN 51 HG2 GLN 51 -5.693 10.409 -14.727 1013 HG3 GLN 51 HG1 GLN 51 -5.832 12.076 -14.173 1014 HE21 GLN 51 HE21 GLN 51 -4.887 12.675 -12.244 1015 HE22 GLN 51 HE22 GLN 51 -3.714 11.693 -11.442 1016 H THR 52 HN THR 52 -9.751 9.494 -14.163 1017 HA THR 52 HA THR 52 -11.326 9.982 -11.846 1018 HB THR 52 HB THR 52 -11.867 10.862 -14.129 1019 HG1 THR 52 HG1 THR 52 -13.573 9.800 -12.288 1020 HG21 THR 52 HG21 THR 52 -12.784 8.024 -14.612 1021 HG22 THR 52 HG22 THR 52 -11.465 8.850 -15.439 1022 HG23 THR 52 HG23 THR 52 -13.125 9.399 -15.663 1023 H GLN 53 HN GLN 53 -10.118 7.100 -13.068 1024 HA GLN 53 HA GLN 53 -12.426 5.575 -12.073 1025 HB2 GLN 53 HB2 GLN 53 -11.860 5.211 -14.444 1026 HB3 GLN 53 HB1 GLN 53 -10.257 4.670 -13.967 1027 HG2 GLN 53 HG2 GLN 53 -11.096 2.721 -12.966 1028 HG3 GLN 53 HG1 GLN 53 -12.751 3.331 -12.977 1029 HE21 GLN 53 HE21 GLN 53 -10.203 1.929 -14.867 1030 HE22 GLN 53 HE22 GLN 53 -11.169 1.519 -16.243 1031 H CYS 54 HN CYS 54 -8.927 5.926 -11.838 1032 HA CYS 54 HA CYS 54 -8.444 3.646 -10.257 1033 HG CYS 54 HG CYS 54 -5.488 7.229 -10.745 1034 HB2 CYS 54 HB2 CYS 54 -6.333 4.753 -9.638 1035 HB3 CYS 54 HB1 CYS 54 -6.634 4.836 -11.370 1036 H GLU 55 HN GLU 55 -9.527 6.869 -9.484 1037 HA GLU 55 HA GLU 55 -9.240 6.863 -6.717 1038 HB2 GLU 55 HB2 GLU 55 -9.905 8.819 -8.070 1039 HB3 GLU 55 HB1 GLU 55 -11.468 8.070 -8.370 1040 HG2 GLU 55 HG2 GLU 55 -11.938 8.139 -5.960 1041 HG3 GLU 55 HG1 GLU 55 -10.393 8.950 -5.701 1042 H ALA 56 HN ALA 56 -11.864 5.620 -8.742 1043 HA ALA 56 HA ALA 56 -13.518 4.777 -6.592 1044 HB1 ALA 56 HB1 ALA 56 -14.412 5.193 -8.825 1045 HB2 ALA 56 HB2 ALA 56 -14.770 3.550 -8.296 1046 HB3 ALA 56 HB3 ALA 56 -13.476 3.841 -9.459 1047 H LEU 57 HN LEU 57 -11.168 3.123 -8.669 1048 HA LEU 57 HA LEU 57 -11.475 0.553 -7.572 1049 HG LEU 57 HG LEU 57 -10.740 -0.717 -9.571 1050 HB2 LEU 57 HB2 LEU 57 -9.354 1.934 -9.135 1051 HB3 LEU 57 HB1 LEU 57 -8.937 0.430 -8.341 1052 HD11 LEU 57 HD11 LEU 57 -12.261 1.149 -9.888 1053 HD12 LEU 57 HD12 LEU 57 -11.849 0.407 -11.435 1054 HD13 LEU 57 HD13 LEU 57 -11.100 1.932 -10.963 1055 HD21 LEU 57 HD21 LEU 57 -8.478 -0.691 -10.469 1056 HD22 LEU 57 HD22 LEU 57 -8.824 0.810 -11.326 1057 HD23 LEU 57 HD23 LEU 57 -9.674 -0.672 -11.762 1058 H ALA 58 HN ALA 58 -9.434 3.274 -6.640 1059 HA ALA 58 HA ALA 58 -7.950 2.022 -4.628 1060 HB1 ALA 58 HB1 ALA 58 -7.424 4.261 -5.442 1061 HB2 ALA 58 HB2 ALA 58 -7.635 4.264 -3.691 1062 HB3 ALA 58 HB3 ALA 58 -8.917 4.879 -4.734 1063 H GLN 59 HN GLN 59 -11.044 3.763 -4.434 1064 HA GLN 59 HA GLN 59 -11.533 3.272 -1.718 1065 HB2 GLN 59 HB2 GLN 59 -13.217 4.007 -4.061 1066 HB3 GLN 59 HB1 GLN 59 -14.027 3.451 -2.603 1067 HG2 GLN 59 HG2 GLN 59 -12.075 5.734 -2.728 1068 HG3 GLN 59 HG1 GLN 59 -13.832 5.893 -2.730 1069 HE21 GLN 59 HE21 GLN 59 -11.859 6.883 -0.815 1070 HE22 GLN 59 HE22 GLN 59 -12.314 6.225 0.715 1071 H ALA 60 HN ALA 60 -12.575 1.458 -4.598 1072 HA ALA 60 HA ALA 60 -14.060 -0.511 -3.299 1073 HB1 ALA 60 HB1 ALA 60 -13.744 -1.858 -5.308 1074 HB2 ALA 60 HB2 ALA 60 -12.441 -0.788 -5.827 1075 HB3 ALA 60 HB3 ALA 60 -14.093 -0.177 -5.721 1076 H PHE 61 HN PHE 61 -10.617 -0.566 -4.228 1077 HA PHE 61 HA PHE 61 -10.084 -3.123 -3.149 1078 HD1 PHE 61 HD1 PHE 61 -8.193 -4.441 -4.441 1079 HD2 PHE 61 HD2 PHE 61 -6.306 -1.358 -2.194 1080 HE1 PHE 61 HE1 PHE 61 -6.393 -5.998 -3.823 1081 HE2 PHE 61 HE2 PHE 61 -4.503 -2.910 -1.573 1082 HZ PHE 61 HZ PHE 61 -4.544 -5.234 -2.389 1083 HB2 PHE 61 HB2 PHE 61 -8.636 -1.948 -4.808 1084 HB3 PHE 61 HB1 PHE 61 -8.133 -0.841 -3.536 1085 H SER 62 HN SER 62 -9.808 0.137 -1.812 1086 HA SER 62 HA SER 62 -8.623 -0.564 0.640 1087 HG SER 62 HG SER 62 -8.712 1.225 2.161 1088 HB2 SER 62 HB2 SER 62 -8.748 1.760 -0.189 1089 HB3 SER 62 HB1 SER 62 -10.496 1.742 0.029 1090 H ASN 63 HN ASN 63 -12.041 -0.097 -0.244 1091 HA ASN 63 HA ASN 63 -13.132 -0.753 2.264 1092 HB2 ASN 63 HB2 ASN 63 -14.262 -0.884 -0.527 1093 HB3 ASN 63 HB1 ASN 63 -15.207 -1.359 0.878 1094 HD21 ASN 63 HD21 ASN 63 -12.885 1.251 0.986 1095 HD22 ASN 63 HD22 ASN 63 -14.041 2.527 1.111 1096 H SER 64 HN SER 64 -12.151 -2.728 -0.464 1097 HA SER 64 HA SER 64 -13.192 -5.179 0.449 1098 HG SER 64 HG SER 64 -12.221 -6.770 -2.020 1099 HB2 SER 64 HB2 SER 64 -12.308 -4.696 -1.859 1100 HB3 SER 64 HB1 SER 64 -10.681 -4.773 -1.189 1101 H LEU 65 HN LEU 65 -10.097 -3.543 1.013 1102 HA LEU 65 HA LEU 65 -8.935 -5.544 2.631 1103 HG LEU 65 HG LEU 65 -7.826 -3.585 0.506 1104 HB2 LEU 65 HB2 LEU 65 -8.505 -2.553 2.636 1105 HB3 LEU 65 HB1 LEU 65 -7.504 -3.700 3.505 1106 HD11 LEU 65 HD11 LEU 65 -5.505 -2.801 0.522 1107 HD12 LEU 65 HD12 LEU 65 -5.537 -2.763 2.285 1108 HD13 LEU 65 HD13 LEU 65 -6.581 -1.683 1.361 1109 HD21 LEU 65 HD21 LEU 65 -7.410 -5.854 1.308 1110 HD22 LEU 65 HD22 LEU 65 -6.020 -5.280 2.230 1111 HD23 LEU 65 HD23 LEU 65 -5.999 -5.212 0.467 1112 H ILE 66 HN ILE 66 -11.041 -2.802 3.351 1113 HA ILE 66 HA ILE 66 -11.050 -3.026 6.156 1114 HB ILE 66 HB ILE 66 -13.459 -2.228 4.514 1115 HG12 ILE 66 HG12 ILE 66 -11.621 -0.943 3.628 1116 HG13 ILE 66 HG11 ILE 66 -12.583 0.107 4.661 1117 HG21 ILE 66 HG21 ILE 66 -13.944 -0.782 6.437 1118 HG22 ILE 66 HG22 ILE 66 -12.516 -1.410 7.257 1119 HG23 ILE 66 HG23 ILE 66 -13.864 -2.484 6.892 1120 HD11 ILE 66 HD11 ILE 66 -9.981 -1.202 5.402 1121 HD12 ILE 66 HD12 ILE 66 -10.942 -0.152 6.446 1122 HD13 ILE 66 HD13 ILE 66 -10.217 0.493 4.971 1123 H ASN 67 HN ASN 67 -13.040 -4.518 3.657 1124 HA ASN 67 HA ASN 67 -14.760 -5.989 5.311 1125 HB2 ASN 67 HB2 ASN 67 -15.100 -5.641 2.877 1126 HB3 ASN 67 HB1 ASN 67 -13.744 -6.712 2.552 1127 HD21 ASN 67 HD21 ASN 67 -14.966 -8.150 1.404 1128 HD22 ASN 67 HD22 ASN 67 -16.128 -9.203 2.152 1129 H ALA 68 HN ALA 68 -11.563 -6.729 4.008 1130 HA ALA 68 HA ALA 68 -11.399 -9.407 4.838 1131 HB1 ALA 68 HB1 ALA 68 -9.820 -8.401 3.262 1132 HB2 ALA 68 HB2 ALA 68 -8.984 -9.160 4.616 1133 HB3 ALA 68 HB3 ALA 68 -9.157 -7.407 4.559 1134 H VAL 69 HN VAL 69 -10.221 -6.450 6.445 1135 HA VAL 69 HA VAL 69 -9.351 -7.720 8.804 1136 HB VAL 69 HB VAL 69 -10.316 -4.871 8.473 1137 HG11 VAL 69 HG11 VAL 69 -10.223 -5.511 10.810 1138 HG12 VAL 69 HG12 VAL 69 -8.908 -4.398 10.434 1139 HG13 VAL 69 HG13 VAL 69 -8.583 -6.123 10.601 1140 HG21 VAL 69 HG21 VAL 69 -8.530 -5.364 6.919 1141 HG22 VAL 69 HG22 VAL 69 -7.554 -6.055 8.214 1142 HG23 VAL 69 HG23 VAL 69 -7.925 -4.331 8.213 1143 H LYS 70 HN LYS 70 -12.403 -6.105 7.998 1144 HA LYS 70 HA LYS 70 -13.728 -6.332 10.421 1145 HB2 LYS 70 HB2 LYS 70 -14.669 -5.041 8.619 1146 HB3 LYS 70 HB1 LYS 70 -14.800 -6.465 7.597 1147 HG2 LYS 70 HG2 LYS 70 -16.472 -7.396 9.134 1148 HG3 LYS 70 HG1 LYS 70 -16.363 -5.937 10.121 1149 HD2 LYS 70 HD2 LYS 70 -18.293 -5.799 8.662 1150 HD3 LYS 70 HD1 LYS 70 -17.093 -4.601 8.178 1151 HE2 LYS 70 HE2 LYS 70 -18.010 -5.661 6.210 1152 HE3 LYS 70 HE1 LYS 70 -16.323 -6.135 6.399 1153 HZ1 LYS 70 HZ1 LYS 70 -18.594 -7.809 7.332 1154 HZ2 LYS 70 HZ2 LYS 70 -16.967 -8.264 7.175 1155 HZ3 LYS 70 HZ3 LYS 70 -17.896 -7.966 5.794 1156 H THR 71 HN THR 71 -13.771 -8.628 7.699 1157 HA THR 71 HA THR 71 -15.402 -10.470 9.193 1158 HB THR 71 HB THR 71 -14.105 -10.987 6.516 1159 HG1 THR 71 HG1 THR 71 -15.660 -9.774 5.590 1160 HG21 THR 71 HG21 THR 71 -16.103 -12.368 6.152 1161 HG22 THR 71 HG22 THR 71 -16.693 -11.946 7.761 1162 HG23 THR 71 HG23 THR 71 -15.221 -12.902 7.582 1163 H ARG 72 HN ARG 72 -12.112 -9.846 9.182 1164 HA ARG 72 HA ARG 72 -11.296 -12.547 9.780 1165 HE ARG 72 HE ARG 72 -6.417 -12.971 10.698 1166 HB2 ARG 72 HB2 ARG 72 -9.683 -10.806 8.958 1167 HB3 ARG 72 HB1 ARG 72 -9.861 -9.981 10.501 1168 HG2 ARG 72 HG2 ARG 72 -9.057 -12.042 11.632 1169 HG3 ARG 72 HG1 ARG 72 -8.744 -12.738 10.041 1170 HD2 ARG 72 HD2 ARG 72 -7.241 -10.810 9.568 1171 HD3 ARG 72 HD1 ARG 72 -7.474 -10.279 11.233 1172 HH11 ARG 72 HH11 ARG 72 -6.004 -9.774 12.064 1173 HH12 ARG 72 HH12 ARG 72 -4.483 -10.148 12.807 1174 HH21 ARG 72 HH21 ARG 72 -4.472 -13.490 11.708 1175 HH22 ARG 72 HH22 ARG 72 -3.629 -12.289 12.653 1176 H LEU 73 HN LEU 73 -12.224 -9.656 11.577 1177 HA LEU 73 HA LEU 73 -12.100 -10.981 14.129 1178 HG LEU 73 HG LEU 73 -11.745 -7.401 14.972 1179 HB2 LEU 73 HB2 LEU 73 -13.187 -8.344 13.187 1180 HB3 LEU 73 HB1 LEU 73 -13.568 -8.935 14.791 1181 HD11 LEU 73 HD11 LEU 73 -10.013 -8.821 15.969 1182 HD12 LEU 73 HD12 LEU 73 -10.757 -10.234 15.224 1183 HD13 LEU 73 HD13 LEU 73 -11.637 -9.314 16.444 1184 HD21 LEU 73 HD21 LEU 73 -10.290 -9.098 12.951 1185 HD22 LEU 73 HD22 LEU 73 -9.616 -7.718 13.819 1186 HD23 LEU 73 HD23 LEU 73 -10.938 -7.482 12.675 1187 H GLU 74 HN GLU 74 -14.617 -10.047 11.836 1188 HA GLU 74 HA GLU 74 -16.649 -11.538 13.261 1189 HB2 GLU 74 HB2 GLU 74 -16.663 -10.015 10.654 1190 HB3 GLU 74 HB1 GLU 74 -18.064 -10.886 11.268 1191 HG2 GLU 74 HG2 GLU 74 -16.652 -8.616 12.653 1192 HG3 GLU 74 HG1 GLU 74 -18.192 -8.514 11.797 1193 H HIS 75 HN HIS 75 -14.538 -13.112 12.648 1194 HA HIS 75 HA HIS 75 -15.027 -14.637 10.248 1195 HD1 HIS 75 HD1 HIS 75 -12.192 -17.415 12.483 1196 HD2 HIS 75 HD2 HIS 75 -13.189 -15.997 8.705 1197 HE1 HIS 75 HE1 HIS 75 -11.466 -19.210 10.873 1198 HE2 HIS 75 HE2 HIS 75 -11.852 -18.213 8.586 1199 HB2 HIS 75 HB2 HIS 75 -12.752 -14.233 11.210 1200 HB3 HIS 75 HB1 HIS 75 -13.202 -15.203 12.602 1201 H HIS 76 HN HIS 76 -17.343 -14.585 11.610 1202 HA HIS 76 HA HIS 76 -17.513 -17.065 13.186 1203 HD1 HIS 76 HD1 HIS 76 -17.409 -15.615 15.823 1204 HD2 HIS 76 HD2 HIS 76 -18.862 -12.568 13.388 1205 HE1 HIS 76 HE1 HIS 76 -16.541 -13.470 16.819 1206 HE2 HIS 76 HE2 HIS 76 -17.401 -11.638 15.308 1207 HB2 HIS 76 HB2 HIS 76 -19.751 -15.067 12.861 1208 HB3 HIS 76 HB1 HIS 76 -19.500 -16.230 14.158 1209 H HIS 77 HN HIS 77 -19.122 -18.639 12.634 1210 HA HIS 77 HA HIS 77 -20.774 -18.415 10.350 1211 HD1 HIS 77 HD1 HIS 77 -18.295 -17.191 7.921 1212 HD2 HIS 77 HD2 HIS 77 -21.061 -20.278 7.577 1213 HE1 HIS 77 HE1 HIS 77 -19.409 -16.857 5.691 1214 HE2 HIS 77 HE2 HIS 77 -20.903 -18.869 5.411 1215 HB2 HIS 77 HB2 HIS 77 -18.062 -18.912 9.737 1216 HB3 HIS 77 HB1 HIS 77 -18.906 -20.438 9.508 1217 H HIS 78 HN HIS 78 -21.961 -19.291 12.288 1218 HA HIS 78 HA HIS 78 -21.789 -22.230 12.255 1219 HD1 HIS 78 HD1 HIS 78 -21.893 -24.066 14.484 1220 HD2 HIS 78 HD2 HIS 78 -19.975 -20.518 15.499 1221 HE1 HIS 78 HE1 HIS 78 -19.811 -24.750 15.724 1222 HE2 HIS 78 HE2 HIS 78 -18.751 -22.582 16.459 1223 HB2 HIS 78 HB2 HIS 78 -22.486 -20.332 14.433 1224 HB3 HIS 78 HB1 HIS 78 -23.383 -21.847 14.370 1225 H HIS 79 HN HIS 79 -22.996 -22.661 10.543 1226 HA HIS 79 HA HIS 79 -25.760 -22.829 10.631 1227 HD1 HIS 79 HD1 HIS 79 -26.186 -19.047 11.557 1228 HD2 HIS 79 HD2 HIS 79 -28.437 -21.812 9.410 1229 HE1 HIS 79 HE1 HIS 79 -28.552 -18.765 12.356 1230 HE2 HIS 79 HE2 HIS 79 -29.866 -20.557 11.172 1231 HB2 HIS 79 HB2 HIS 79 -24.846 -20.193 9.792 1232 HB3 HIS 79 HB1 HIS 79 -25.755 -20.988 8.512 1233 H HIS 80 HN HIS 80 -22.877 -22.354 8.776 1234 HA HIS 80 HA HIS 80 -23.263 -24.843 7.411 1235 HD1 HIS 80 HD1 HIS 80 -24.323 -25.663 4.723 1236 HD2 HIS 80 HD2 HIS 80 -21.051 -23.189 4.034 1237 HE1 HIS 80 HE1 HIS 80 -23.085 -26.695 2.794 1238 HE2 HIS 80 HE2 HIS 80 -21.029 -25.273 2.497 1239 HB2 HIS 80 HB2 HIS 80 -24.443 -23.298 5.881 1240 HB3 HIS 80 HB1 HIS 80 -22.996 -22.297 5.786 Start of MODEL 2 1 HA MET 1 HA MET 1 22.421 -1.043 14.662 2 H1 MET 1 HT1 MET 1 25.353 -0.862 15.053 3 H2 MET 1 HT2 MET 1 24.562 -1.058 13.566 4 H3 MET 1 HT3 MET 1 24.473 -2.278 14.740 5 HB2 MET 1 HB2 MET 1 24.065 -0.432 17.133 6 HB3 MET 1 HB1 MET 1 22.312 -0.368 17.036 7 HG2 MET 1 HG2 MET 1 24.000 -2.831 16.670 8 HG3 MET 1 HG1 MET 1 23.097 -2.403 18.121 9 HE1 MET 1 HE1 MET 1 21.072 -5.440 16.698 10 HE2 MET 1 HE2 MET 1 21.916 -4.780 18.099 11 HE3 MET 1 HE3 MET 1 22.821 -5.219 16.652 12 H ALA 2 HN ALA 2 21.315 0.909 14.701 13 HA ALA 2 HA ALA 2 22.999 3.320 14.498 14 HB1 ALA 2 HB1 ALA 2 21.486 4.192 12.795 15 HB2 ALA 2 HB2 ALA 2 20.531 2.712 12.868 16 HB3 ALA 2 HB3 ALA 2 22.193 2.660 12.280 17 H GLN 3 HN GLN 3 21.780 5.348 14.935 18 HA GLN 3 HA GLN 3 20.186 5.002 17.321 19 HB2 GLN 3 HB2 GLN 3 20.457 7.332 17.692 20 HB3 GLN 3 HB1 GLN 3 21.997 6.751 17.082 21 HG2 GLN 3 HG2 GLN 3 19.919 8.145 15.408 22 HG3 GLN 3 HG1 GLN 3 21.297 8.941 16.161 23 HE21 GLN 3 HE21 GLN 3 20.589 8.724 13.349 24 HE22 GLN 3 HE22 GLN 3 21.924 7.954 12.568 25 H HIS 4 HN HIS 4 18.239 6.524 17.586 26 HA HIS 4 HA HIS 4 16.317 5.793 15.593 27 HD1 HIS 4 HD1 HIS 4 13.053 5.875 17.716 28 HD2 HIS 4 HD2 HIS 4 16.822 4.281 18.494 29 HE1 HIS 4 HE1 HIS 4 12.642 3.599 18.708 30 HE2 HIS 4 HE2 HIS 4 14.922 2.749 19.362 31 HB2 HIS 4 HB2 HIS 4 16.204 7.305 18.174 32 HB3 HIS 4 HB1 HIS 4 14.852 7.420 17.055 33 H SER 5 HN SER 5 15.961 6.819 13.781 34 HA SER 5 HA SER 5 17.122 9.325 13.165 35 HG SER 5 HG SER 5 17.513 7.185 12.119 36 HB2 SER 5 HB2 SER 5 14.924 7.869 11.671 37 HB3 SER 5 HB1 SER 5 16.039 9.070 11.013 38 H LYS 6 HN LYS 6 16.143 11.323 12.830 39 HA LYS 6 HA LYS 6 13.986 11.889 14.667 40 HB2 LYS 6 HB2 LYS 6 14.463 14.218 14.197 41 HB3 LYS 6 HB1 LYS 6 15.978 13.362 14.441 42 HG2 LYS 6 HG2 LYS 6 16.342 13.280 12.035 43 HG3 LYS 6 HG1 LYS 6 14.792 14.079 11.764 44 HD2 LYS 6 HD2 LYS 6 15.641 16.017 13.085 45 HD3 LYS 6 HD1 LYS 6 17.219 15.229 13.135 46 HE2 LYS 6 HE2 LYS 6 17.239 16.821 11.349 47 HE3 LYS 6 HE1 LYS 6 17.206 15.206 10.641 48 HZ1 LYS 6 HZ1 LYS 6 14.937 17.108 10.887 49 HZ2 LYS 6 HZ2 LYS 6 14.755 15.497 10.408 50 HZ3 LYS 6 HZ3 LYS 6 15.670 16.558 9.458 51 H TYR 7 HN TYR 7 13.241 10.291 12.366 52 HA TYR 7 HA TYR 7 11.824 10.144 10.592 53 HD1 TYR 7 HD2 TYR 7 10.622 10.995 14.098 54 HD2 TYR 7 HD1 TYR 7 8.695 9.860 10.480 55 HE1 TYR 7 HE2 TYR 7 9.351 9.274 15.318 56 HE2 TYR 7 HE1 TYR 7 7.426 8.134 11.685 57 HH TYR 7 HH TYR 7 7.461 6.869 13.657 58 HB2 TYR 7 HB2 TYR 7 10.623 12.464 12.094 59 HB3 TYR 7 HB1 TYR 7 9.923 11.890 10.585 60 H SER 8 HN SER 8 14.177 11.169 9.902 61 HA SER 8 HA SER 8 14.221 13.706 8.758 62 HG SER 8 HG SER 8 17.329 12.498 9.487 63 HB2 SER 8 HB2 SER 8 15.826 11.288 7.927 64 HB3 SER 8 HB1 SER 8 16.256 12.983 7.683 65 H ASP 9 HN ASP 9 13.242 14.471 7.054 66 HA ASP 9 HA ASP 9 11.774 12.988 5.190 67 HB2 ASP 9 HB2 ASP 9 11.873 15.068 3.806 68 HB3 ASP 9 HB1 ASP 9 11.375 15.358 5.471 69 H ALA 10 HN ALA 10 15.116 13.510 5.563 70 HA ALA 10 HA ALA 10 15.844 12.916 2.829 71 HB1 ALA 10 HB1 ALA 10 17.291 14.331 4.203 72 HB2 ALA 10 HB2 ALA 10 18.139 12.880 3.667 73 HB3 ALA 10 HB3 ALA 10 17.543 12.992 5.322 74 H GLN 11 HN GLN 11 15.626 11.245 5.915 75 HA GLN 11 HA GLN 11 16.756 8.785 5.025 76 HB2 GLN 11 HB2 GLN 11 16.637 9.432 7.403 77 HB3 GLN 11 HB1 GLN 11 14.884 9.347 7.340 78 HG2 GLN 11 HG2 GLN 11 15.611 7.369 8.381 79 HG3 GLN 11 HG1 GLN 11 15.133 6.917 6.748 80 HE21 GLN 11 HE21 GLN 11 16.962 5.634 8.669 81 HE22 GLN 11 HE22 GLN 11 18.472 5.475 7.845 82 H LEU 12 HN LEU 12 13.458 9.987 5.437 83 HA LEU 12 HA LEU 12 12.098 7.661 4.683 84 HG LEU 12 HG LEU 12 9.789 8.929 3.091 85 HB2 LEU 12 HB2 LEU 12 11.020 9.583 5.772 86 HB3 LEU 12 HB1 LEU 12 11.255 10.538 4.319 87 HD11 LEU 12 HD11 LEU 12 8.383 7.410 4.375 88 HD12 LEU 12 HD12 LEU 12 9.244 7.847 5.852 89 HD13 LEU 12 HD13 LEU 12 10.089 6.999 4.556 90 HD21 LEU 12 HD21 LEU 12 8.905 11.032 3.922 91 HD22 LEU 12 HD22 LEU 12 8.571 10.293 5.488 92 HD23 LEU 12 HD23 LEU 12 7.694 9.755 4.052 93 H SER 13 HN SER 13 12.863 10.540 2.703 94 HA SER 13 HA SER 13 11.814 9.606 0.309 95 HG SER 13 HG SER 13 12.619 12.576 1.587 96 HB2 SER 13 HB2 SER 13 14.184 11.452 0.685 97 HB3 SER 13 HB1 SER 13 13.237 11.279 -0.794 98 H ALA 14 HN ALA 14 14.993 9.046 1.736 99 HA ALA 14 HA ALA 14 16.222 7.838 -0.478 100 HB1 ALA 14 HB1 ALA 14 16.648 7.323 2.463 101 HB2 ALA 14 HB2 ALA 14 17.478 8.529 1.478 102 HB3 ALA 14 HB3 ALA 14 17.734 6.812 1.170 103 H ILE 15 HN ILE 15 14.199 6.506 2.097 104 HA ILE 15 HA ILE 15 14.514 3.798 1.241 105 HB ILE 15 HB ILE 15 12.460 5.037 3.074 106 HG12 ILE 15 HG12 ILE 15 14.977 3.474 3.678 107 HG13 ILE 15 HG11 ILE 15 14.817 5.220 3.817 108 HG21 ILE 15 HG21 ILE 15 12.032 2.751 3.854 109 HG22 ILE 15 HG22 ILE 15 13.120 2.127 2.612 110 HG23 ILE 15 HG23 ILE 15 11.628 2.947 2.148 111 HD11 ILE 15 HD11 ILE 15 13.337 3.154 5.427 112 HD12 ILE 15 HD12 ILE 15 13.097 4.897 5.542 113 HD13 ILE 15 HD13 ILE 15 14.651 4.191 5.986 114 H VAL 16 HN VAL 16 11.962 6.248 0.833 115 HA VAL 16 HA VAL 16 10.141 4.537 -0.493 116 HB VAL 16 HB VAL 16 10.261 7.482 -1.085 117 HG11 VAL 16 HG11 VAL 16 7.846 7.273 -1.177 118 HG12 VAL 16 HG12 VAL 16 7.953 5.586 -0.672 119 HG13 VAL 16 HG13 VAL 16 8.601 6.082 -2.238 120 HG21 VAL 16 HG21 VAL 16 9.156 6.243 1.432 121 HG22 VAL 16 HG22 VAL 16 8.949 7.922 0.932 122 HG23 VAL 16 HG23 VAL 16 10.555 7.310 1.325 123 H ASN 17 HN ASN 17 12.671 6.704 -1.678 124 HA ASN 17 HA ASN 17 12.076 6.325 -4.444 125 HB2 ASN 17 HB2 ASN 17 13.317 8.292 -3.489 126 HB3 ASN 17 HB1 ASN 17 14.698 7.229 -3.235 127 HD21 ASN 17 HD21 ASN 17 16.013 8.383 -4.619 128 HD22 ASN 17 HD22 ASN 17 15.802 8.372 -6.337 129 H ASP 18 HN ASP 18 14.006 4.613 -2.108 130 HA ASP 18 HA ASP 18 15.582 3.101 -3.907 131 HB2 ASP 18 HB2 ASP 18 15.828 3.377 -1.327 132 HB3 ASP 18 HB1 ASP 18 14.644 2.079 -1.231 133 H MET 19 HN MET 19 12.531 2.516 -2.223 134 HA MET 19 HA MET 19 11.941 -0.010 -3.249 135 HB2 MET 19 HB2 MET 19 10.099 2.212 -2.370 136 HB3 MET 19 HB1 MET 19 9.555 0.583 -2.735 137 HG2 MET 19 HG2 MET 19 11.511 1.344 -0.583 138 HG3 MET 19 HG1 MET 19 9.812 0.944 -0.343 139 HE1 MET 19 HE1 MET 19 10.363 -0.893 1.439 140 HE2 MET 19 HE2 MET 19 12.073 -0.482 1.302 141 HE3 MET 19 HE3 MET 19 11.560 -2.167 1.202 142 H ILE 20 HN ILE 20 11.408 3.188 -4.621 143 HA ILE 20 HA ILE 20 9.830 2.439 -6.827 144 HB ILE 20 HB ILE 20 11.897 4.647 -6.659 145 HG12 ILE 20 HG12 ILE 20 8.898 4.711 -6.245 146 HG13 ILE 20 HG11 ILE 20 10.102 4.809 -4.965 147 HG21 ILE 20 HG21 ILE 20 10.673 5.670 -8.521 148 HG22 ILE 20 HG22 ILE 20 9.636 4.245 -8.619 149 HG23 ILE 20 HG23 ILE 20 11.360 4.109 -8.972 150 HD11 ILE 20 HD11 ILE 20 9.202 6.994 -5.499 151 HD12 ILE 20 HD12 ILE 20 9.703 6.807 -7.180 152 HD13 ILE 20 HD13 ILE 20 10.916 6.911 -5.903 153 H ALA 21 HN ALA 21 13.340 2.589 -6.389 154 HA ALA 21 HA ALA 21 13.992 1.674 -9.005 155 HB1 ALA 21 HB1 ALA 21 15.564 2.952 -7.616 156 HB2 ALA 21 HB2 ALA 21 16.251 1.409 -8.128 157 HB3 ALA 21 HB3 ALA 21 15.647 1.604 -6.481 158 H VAL 22 HN VAL 22 13.392 0.150 -5.907 159 HA VAL 22 HA VAL 22 14.156 -2.478 -6.531 160 HB VAL 22 HB VAL 22 11.919 -1.568 -4.707 161 HG11 VAL 22 HG11 VAL 22 13.413 -4.189 -4.791 162 HG12 VAL 22 HG12 VAL 22 11.734 -3.933 -5.267 163 HG13 VAL 22 HG13 VAL 22 12.215 -3.720 -3.584 164 HG21 VAL 22 HG21 VAL 22 14.838 -2.089 -4.154 165 HG22 VAL 22 HG22 VAL 22 13.611 -1.851 -2.911 166 HG23 VAL 22 HG23 VAL 22 13.990 -0.544 -4.034 167 H LEU 23 HN LEU 23 11.115 -0.742 -7.004 168 HA LEU 23 HA LEU 23 9.599 -2.826 -8.091 169 HG LEU 23 HG LEU 23 8.174 -1.179 -10.358 170 HB2 LEU 23 HB2 LEU 23 8.666 -0.654 -7.423 171 HB3 LEU 23 HB1 LEU 23 9.517 0.122 -8.744 172 HD11 LEU 23 HD11 LEU 23 6.746 -2.155 -7.891 173 HD12 LEU 23 HD12 LEU 23 7.677 -3.129 -9.029 174 HD13 LEU 23 HD13 LEU 23 6.173 -2.367 -9.545 175 HD21 LEU 23 HD21 LEU 23 7.480 1.062 -9.690 176 HD22 LEU 23 HD22 LEU 23 6.545 0.379 -8.358 177 HD23 LEU 23 HD23 LEU 23 6.090 0.031 -10.026 178 H GLU 24 HN GLU 24 11.839 -0.555 -9.601 179 HA GLU 24 HA GLU 24 11.471 -1.521 -12.262 180 HB2 GLU 24 HB2 GLU 24 13.792 0.017 -11.092 181 HB3 GLU 24 HB1 GLU 24 13.421 -0.160 -12.800 182 HG2 GLU 24 HG2 GLU 24 11.367 1.092 -12.507 183 HG3 GLU 24 HG1 GLU 24 11.682 1.230 -10.778 184 H LYS 25 HN LYS 25 13.195 -2.644 -9.557 185 HA LYS 25 HA LYS 25 15.296 -4.013 -10.936 186 HB2 LYS 25 HB2 LYS 25 15.449 -3.211 -8.590 187 HB3 LYS 25 HB1 LYS 25 14.231 -4.387 -8.131 188 HG2 LYS 25 HG2 LYS 25 15.693 -6.193 -8.485 189 HG3 LYS 25 HG1 LYS 25 16.845 -5.187 -9.367 190 HD2 LYS 25 HD2 LYS 25 17.629 -5.662 -7.092 191 HD3 LYS 25 HD1 LYS 25 17.335 -3.939 -7.326 192 HE2 LYS 25 HE2 LYS 25 16.354 -4.309 -5.269 193 HE3 LYS 25 HE1 LYS 25 14.980 -4.483 -6.359 194 HZ1 LYS 25 HZ1 LYS 25 15.677 -6.976 -6.302 195 HZ2 LYS 25 HZ2 LYS 25 14.758 -6.326 -5.040 196 HZ3 LYS 25 HZ3 LYS 25 16.432 -6.541 -4.848 197 H HIS 26 HN HIS 26 12.009 -4.594 -10.413 198 HA HIS 26 HA HIS 26 12.345 -7.376 -11.319 199 HD1 HIS 26 HD1 HIS 26 12.066 -7.150 -7.349 200 HD2 HIS 26 HD2 HIS 26 11.241 -9.995 -10.275 201 HE1 HIS 26 HE1 HIS 26 12.971 -9.321 -6.463 202 HE2 HIS 26 HE2 HIS 26 12.576 -11.004 -8.300 203 HB2 HIS 26 HB2 HIS 26 10.618 -6.248 -9.201 204 HB3 HIS 26 HB1 HIS 26 9.853 -7.432 -10.257 205 H LYS 27 HN LYS 27 10.686 -4.355 -11.646 206 HA LYS 27 HA LYS 27 9.367 -3.433 -13.219 207 HB2 LYS 27 HB2 LYS 27 10.238 -5.708 -15.008 208 HB3 LYS 27 HB1 LYS 27 9.493 -4.204 -15.523 209 HG2 LYS 27 HG2 LYS 27 11.566 -3.492 -15.884 210 HG3 LYS 27 HG1 LYS 27 11.690 -3.337 -14.132 211 HD2 LYS 27 HD2 LYS 27 13.588 -4.572 -14.825 212 HD3 LYS 27 HD1 LYS 27 12.483 -5.736 -14.096 213 HE2 LYS 27 HE2 LYS 27 12.616 -5.227 -17.062 214 HE3 LYS 27 HE1 LYS 27 13.605 -6.440 -16.256 215 HZ1 LYS 27 HZ1 LYS 27 10.631 -6.384 -16.249 216 HZ2 LYS 27 HZ2 LYS 27 11.614 -7.577 -15.553 217 HZ3 LYS 27 HZ3 LYS 27 11.592 -7.372 -17.231 218 H ALA 28 HN ALA 28 7.639 -4.132 -11.743 219 HA ALA 28 HA ALA 28 5.926 -6.206 -12.912 220 HB1 ALA 28 HB1 ALA 28 5.676 -4.765 -10.271 221 HB2 ALA 28 HB2 ALA 28 6.344 -6.381 -10.505 222 HB3 ALA 28 HB3 ALA 28 4.640 -6.075 -10.838 223 HA PRO 29 HA PRO 29 3.647 -3.117 -14.976 224 HB2 PRO 29 HB2 PRO 29 1.377 -4.480 -15.536 225 HB3 PRO 29 HB1 PRO 29 2.927 -4.830 -16.309 226 HG2 PRO 29 HG2 PRO 29 1.558 -6.246 -14.064 227 HG3 PRO 29 HG1 PRO 29 2.459 -6.920 -15.433 228 HD2 PRO 29 HD2 PRO 29 3.491 -6.646 -12.916 229 HD3 PRO 29 HD1 PRO 29 4.475 -6.657 -14.392 230 H VAL 30 HN VAL 30 3.406 -2.887 -12.082 231 HA VAL 30 HA VAL 30 2.327 -1.451 -10.697 232 HB VAL 30 HB VAL 30 0.360 -1.067 -12.957 233 HG11 VAL 30 HG11 VAL 30 0.689 0.500 -10.399 234 HG12 VAL 30 HG12 VAL 30 -0.674 -0.538 -10.816 235 HG13 VAL 30 HG13 VAL 30 -0.371 0.932 -11.741 236 HG21 VAL 30 HG21 VAL 30 2.602 -0.310 -13.521 237 HG22 VAL 30 HG22 VAL 30 2.682 0.620 -12.024 238 HG23 VAL 30 HG23 VAL 30 1.531 1.072 -13.281 239 H ASP 31 HN ASP 31 -0.027 -3.476 -12.456 240 HA ASP 31 HA ASP 31 -1.865 -3.593 -10.305 241 HB2 ASP 31 HB2 ASP 31 -2.976 -5.367 -11.563 242 HB3 ASP 31 HB1 ASP 31 -2.521 -4.053 -12.638 243 H LEU 32 HN LEU 32 0.518 -5.951 -11.487 244 HA LEU 32 HA LEU 32 0.194 -7.788 -9.377 245 HG LEU 32 HG LEU 32 3.168 -8.785 -9.191 246 HB2 LEU 32 HB2 LEU 32 1.316 -8.280 -11.522 247 HB3 LEU 32 HB1 LEU 32 2.656 -7.256 -11.044 248 HD11 LEU 32 HD11 LEU 32 0.901 -9.620 -8.790 249 HD12 LEU 32 HD12 LEU 32 2.043 -10.941 -9.026 250 HD13 LEU 32 HD13 LEU 32 0.949 -10.481 -10.328 251 HD21 LEU 32 HD21 LEU 32 4.254 -9.099 -11.349 252 HD22 LEU 32 HD22 LEU 32 2.929 -10.139 -11.874 253 HD23 LEU 32 HD23 LEU 32 3.981 -10.649 -10.552 254 H SER 33 HN SER 33 2.076 -4.866 -9.682 255 HA SER 33 HA SER 33 3.769 -5.207 -7.459 256 HG SER 33 HG SER 33 4.726 -2.926 -9.851 257 HB2 SER 33 HB2 SER 33 2.745 -2.518 -8.331 258 HB3 SER 33 HB1 SER 33 4.357 -2.959 -7.762 259 H LEU 34 HN LEU 34 0.554 -3.783 -7.824 260 HA LEU 34 HA LEU 34 0.374 -2.881 -5.124 261 HG LEU 34 HG LEU 34 -0.194 -1.440 -7.759 262 HB2 LEU 34 HB2 LEU 34 -1.734 -3.286 -7.239 263 HB3 LEU 34 HB1 LEU 34 -2.051 -2.577 -5.667 264 HD11 LEU 34 HD11 LEU 34 -2.534 -1.239 -8.393 265 HD12 LEU 34 HD12 LEU 34 -1.871 0.334 -7.951 266 HD13 LEU 34 HD13 LEU 34 -2.913 -0.534 -6.822 267 HD21 LEU 34 HD21 LEU 34 -0.089 0.512 -6.274 268 HD22 LEU 34 HD22 LEU 34 0.576 -0.934 -5.510 269 HD23 LEU 34 HD23 LEU 34 -1.034 -0.365 -5.070 270 H ILE 35 HN ILE 35 -0.325 -5.902 -6.719 271 HA ILE 35 HA ILE 35 -1.959 -6.993 -4.670 272 HB ILE 35 HB ILE 35 -0.153 -8.458 -6.606 273 HG12 ILE 35 HG12 ILE 35 -3.116 -7.851 -6.775 274 HG13 ILE 35 HG11 ILE 35 -1.867 -7.017 -7.690 275 HG21 ILE 35 HG21 ILE 35 -1.598 -10.388 -6.152 276 HG22 ILE 35 HG22 ILE 35 -2.474 -9.443 -4.947 277 HG23 ILE 35 HG23 ILE 35 -0.772 -9.835 -4.695 278 HD11 ILE 35 HD11 ILE 35 -2.994 -8.677 -9.046 279 HD12 ILE 35 HD12 ILE 35 -2.552 -9.938 -7.895 280 HD13 ILE 35 HD13 ILE 35 -1.298 -9.104 -8.814 281 H ALA 36 HN ALA 36 1.539 -7.138 -5.287 282 HA ALA 36 HA ALA 36 2.283 -8.681 -3.085 283 HB1 ALA 36 HB1 ALA 36 4.509 -7.709 -3.383 284 HB2 ALA 36 HB2 ALA 36 3.831 -6.464 -4.431 285 HB3 ALA 36 HB3 ALA 36 3.799 -8.154 -4.934 286 H LEU 37 HN LEU 37 2.019 -5.167 -3.449 287 HA LEU 37 HA LEU 37 2.700 -4.602 -0.742 288 HG LEU 37 HG LEU 37 3.551 -3.469 -3.529 289 HB2 LEU 37 HB2 LEU 37 1.269 -2.906 -2.788 290 HB3 LEU 37 HB1 LEU 37 1.912 -2.325 -1.264 291 HD11 LEU 37 HD11 LEU 37 2.632 -1.295 -4.089 292 HD12 LEU 37 HD12 LEU 37 4.366 -1.174 -3.790 293 HD13 LEU 37 HD13 LEU 37 3.219 -0.633 -2.564 294 HD21 LEU 37 HD21 LEU 37 5.475 -2.716 -2.227 295 HD22 LEU 37 HD22 LEU 37 4.537 -3.921 -1.345 296 HD23 LEU 37 HD23 LEU 37 4.402 -2.213 -0.922 297 H GLY 38 HN GLY 38 -0.194 -5.545 -2.346 298 HA2 GLY 38 HA2 GLY 38 -2.066 -4.526 -0.454 299 HA3 GLY 38 HA1 GLY 38 -2.364 -5.800 -1.631 300 H ASN 39 HN ASN 39 -0.651 -7.762 -0.940 301 HA ASN 39 HA ASN 39 -1.774 -8.939 1.348 302 HB2 ASN 39 HB2 ASN 39 0.796 -9.546 -0.130 303 HB3 ASN 39 HB1 ASN 39 0.193 -10.535 1.195 304 HD21 ASN 39 HD21 ASN 39 -0.038 -12.343 -0.111 305 HD22 ASN 39 HD22 ASN 39 -1.285 -12.472 -1.297 306 H MET 40 HN MET 40 1.089 -6.983 0.880 307 HA MET 40 HA MET 40 2.152 -7.313 3.490 308 HB2 MET 40 HB2 MET 40 3.520 -6.515 1.623 309 HB3 MET 40 HB1 MET 40 2.525 -5.073 1.490 310 HG2 MET 40 HG2 MET 40 3.253 -4.369 3.719 311 HG3 MET 40 HG1 MET 40 4.257 -5.812 3.840 312 HE1 MET 40 HE1 MET 40 5.388 -2.857 4.285 313 HE2 MET 40 HE2 MET 40 6.915 -2.980 3.413 314 HE3 MET 40 HE3 MET 40 6.358 -4.324 4.410 315 H ALA 41 HN ALA 41 0.142 -4.781 2.005 316 HA ALA 41 HA ALA 41 -0.039 -3.058 4.185 317 HB1 ALA 41 HB1 ALA 41 -0.788 -2.496 1.905 318 HB2 ALA 41 HB2 ALA 41 -2.020 -2.140 3.116 319 HB3 ALA 41 HB3 ALA 41 -2.166 -3.578 2.105 320 H SER 42 HN SER 42 -2.274 -5.665 3.237 321 HA SER 42 HA SER 42 -4.050 -5.301 5.387 322 HG SER 42 HG SER 42 -3.130 -7.403 2.539 323 HB2 SER 42 HB2 SER 42 -4.737 -7.696 4.821 324 HB3 SER 42 HB1 SER 42 -4.844 -6.517 3.514 325 H ASN 43 HN ASN 43 -1.216 -7.380 5.007 326 HA ASN 43 HA ASN 43 -1.412 -8.865 7.363 327 HB2 ASN 43 HB2 ASN 43 0.209 -9.289 5.511 328 HB3 ASN 43 HB1 ASN 43 1.127 -7.883 6.038 329 HD21 ASN 43 HD21 ASN 43 0.331 -11.172 6.659 330 HD22 ASN 43 HD22 ASN 43 1.475 -11.433 7.925 331 H LEU 44 HN LEU 44 0.244 -5.775 6.765 332 HA LEU 44 HA LEU 44 1.190 -5.494 9.425 333 HG LEU 44 HG LEU 44 2.416 -5.048 6.513 334 HB2 LEU 44 HB2 LEU 44 0.800 -3.417 7.273 335 HB3 LEU 44 HB1 LEU 44 1.695 -3.170 8.761 336 HD11 LEU 44 HD11 LEU 44 4.378 -3.621 6.296 337 HD12 LEU 44 HD12 LEU 44 3.786 -2.595 7.603 338 HD13 LEU 44 HD13 LEU 44 2.895 -2.690 6.084 339 HD21 LEU 44 HD21 LEU 44 3.841 -4.595 9.131 340 HD22 LEU 44 HD22 LEU 44 4.370 -5.643 7.814 341 HD23 LEU 44 HD23 LEU 44 2.904 -6.030 8.717 342 H LEU 45 HN LEU 45 -1.632 -4.236 7.715 343 HA LEU 45 HA LEU 45 -2.480 -2.497 9.772 344 HG LEU 45 HG LEU 45 -2.352 -2.140 6.734 345 HB2 LEU 45 HB2 LEU 45 -4.003 -3.779 7.508 346 HB3 LEU 45 HB1 LEU 45 -4.696 -2.583 8.587 347 HD11 LEU 45 HD11 LEU 45 -5.202 -1.168 6.600 348 HD12 LEU 45 HD12 LEU 45 -4.441 -2.339 5.523 349 HD13 LEU 45 HD13 LEU 45 -3.896 -0.661 5.530 350 HD21 LEU 45 HD21 LEU 45 -3.798 -0.215 8.555 351 HD22 LEU 45 HD22 LEU 45 -2.557 0.213 7.377 352 HD23 LEU 45 HD23 LEU 45 -2.146 -0.804 8.757 353 H THR 46 HN THR 46 -2.727 -5.924 9.425 354 HA THR 46 HA THR 46 -4.867 -5.991 11.431 355 HB THR 46 HB THR 46 -4.870 -8.480 10.958 356 HG1 THR 46 HG1 THR 46 -3.441 -7.747 8.611 357 HG21 THR 46 HG21 THR 46 -6.123 -8.228 8.866 358 HG22 THR 46 HG22 THR 46 -5.473 -6.601 8.673 359 HG23 THR 46 HG23 THR 46 -6.544 -6.966 10.025 360 H THR 47 HN THR 47 -1.569 -5.938 11.387 361 HA THR 47 HA THR 47 -1.397 -7.687 13.752 362 HB THR 47 HB THR 47 0.846 -7.046 11.831 363 HG1 THR 47 HG1 THR 47 -0.495 -8.382 10.714 364 HG21 THR 47 HG21 THR 47 1.998 -8.906 12.958 365 HG22 THR 47 HG22 THR 47 0.639 -9.068 14.072 366 HG23 THR 47 HG23 THR 47 1.621 -7.603 14.083 367 H SER 48 HN SER 48 -0.262 -4.633 12.329 368 HA SER 48 HA SER 48 1.185 -4.004 14.770 369 HG SER 48 HG SER 48 2.925 -4.190 13.068 370 HB2 SER 48 HB2 SER 48 0.901 -2.374 12.240 371 HB3 SER 48 HB1 SER 48 2.049 -2.090 13.547 372 H VAL 49 HN VAL 49 -1.236 -2.243 12.796 373 HA VAL 49 HA VAL 49 -1.711 -0.382 14.917 374 HB VAL 49 HB VAL 49 -3.433 0.587 13.477 375 HG11 VAL 49 HG11 VAL 49 -1.088 1.182 13.107 376 HG12 VAL 49 HG12 VAL 49 -2.015 1.228 11.607 377 HG13 VAL 49 HG13 VAL 49 -0.940 -0.131 11.937 378 HG21 VAL 49 HG21 VAL 49 -2.894 -1.758 11.652 379 HG22 VAL 49 HG22 VAL 49 -3.880 -0.352 11.249 380 HG23 VAL 49 HG23 VAL 49 -4.387 -1.443 12.540 381 HA PRO 50 HA PRO 50 -5.015 -2.140 17.234 382 HB2 PRO 50 HB2 PRO 50 -7.032 -0.250 17.014 383 HB3 PRO 50 HB1 PRO 50 -5.694 -0.182 18.165 384 HG2 PRO 50 HG2 PRO 50 -6.004 1.192 15.530 385 HG3 PRO 50 HG1 PRO 50 -5.312 1.807 17.044 386 HD2 PRO 50 HD2 PRO 50 -3.754 1.027 15.014 387 HD3 PRO 50 HD1 PRO 50 -3.291 0.724 16.702 388 H GLN 51 HN GLN 51 -5.992 -3.874 16.487 389 HA GLN 51 HA GLN 51 -7.059 -4.228 13.936 390 HB2 GLN 51 HB2 GLN 51 -7.539 -5.739 16.506 391 HB3 GLN 51 HB1 GLN 51 -8.167 -6.264 14.954 392 HG2 GLN 51 HG2 GLN 51 -6.200 -7.507 15.404 393 HG3 GLN 51 HG1 GLN 51 -5.826 -6.368 14.115 394 HE21 GLN 51 HE21 GLN 51 -3.623 -6.515 14.553 395 HE22 GLN 51 HE22 GLN 51 -2.912 -5.740 15.926 396 H THR 52 HN THR 52 -8.599 -3.247 16.944 397 HA THR 52 HA THR 52 -11.270 -3.516 15.972 398 HB THR 52 HB THR 52 -10.743 -3.621 18.376 399 HG1 THR 52 HG1 THR 52 -12.557 -1.685 17.396 400 HG21 THR 52 HG21 THR 52 -10.185 -0.663 18.125 401 HG22 THR 52 HG22 THR 52 -8.987 -1.916 18.451 402 HG23 THR 52 HG23 THR 52 -10.254 -1.579 19.631 403 H GLN 53 HN GLN 53 -8.889 -1.288 15.257 404 HA GLN 53 HA GLN 53 -10.896 0.735 14.493 405 HB2 GLN 53 HB2 GLN 53 -8.039 1.210 15.369 406 HB3 GLN 53 HB1 GLN 53 -9.143 2.449 14.796 407 HG2 GLN 53 HG2 GLN 53 -9.744 0.764 17.198 408 HG3 GLN 53 HG1 GLN 53 -8.794 2.241 17.299 409 HE21 GLN 53 HE21 GLN 53 -11.499 1.820 15.096 410 HE22 GLN 53 HE22 GLN 53 -12.555 2.937 15.892 411 H CYS 54 HN CYS 54 -9.323 -1.635 13.198 412 HA CYS 54 HA CYS 54 -7.392 -0.511 11.485 413 HG CYS 54 HG CYS 54 -5.703 -3.273 10.393 414 HB2 CYS 54 HB2 CYS 54 -7.538 -2.923 12.142 415 HB3 CYS 54 HB1 CYS 54 -8.906 -3.083 11.044 416 H GLU 55 HN GLU 55 -10.719 -1.629 10.768 417 HA GLU 55 HA GLU 55 -10.653 -0.836 8.064 418 HB2 GLU 55 HB2 GLU 55 -13.216 -0.818 9.609 419 HB3 GLU 55 HB1 GLU 55 -12.920 -1.348 7.962 420 HG2 GLU 55 HG2 GLU 55 -13.166 -3.378 8.900 421 HG3 GLU 55 HG1 GLU 55 -11.452 -3.163 9.255 422 H ALA 56 HN ALA 56 -11.499 0.852 11.004 423 HA ALA 56 HA ALA 56 -12.706 3.119 9.825 424 HB1 ALA 56 HB1 ALA 56 -11.289 2.870 12.477 425 HB2 ALA 56 HB2 ALA 56 -13.000 2.551 12.180 426 HB3 ALA 56 HB3 ALA 56 -12.361 4.185 11.997 427 H LEU 57 HN LEU 57 -9.388 2.563 11.010 428 HA LEU 57 HA LEU 57 -8.474 5.147 10.212 429 HG LEU 57 HG LEU 57 -6.929 5.576 12.136 430 HB2 LEU 57 HB2 LEU 57 -7.197 2.684 11.293 431 HB3 LEU 57 HB1 LEU 57 -6.171 3.882 10.531 432 HD11 LEU 57 HD11 LEU 57 -8.506 3.334 13.392 433 HD12 LEU 57 HD12 LEU 57 -9.179 4.733 12.555 434 HD13 LEU 57 HD13 LEU 57 -8.288 4.953 14.062 435 HD21 LEU 57 HD21 LEU 57 -5.844 4.639 14.123 436 HD22 LEU 57 HD22 LEU 57 -4.957 4.247 12.650 437 HD23 LEU 57 HD23 LEU 57 -5.966 3.026 13.423 438 H ALA 58 HN ALA 58 -8.296 1.917 8.782 439 HA ALA 58 HA ALA 58 -6.582 2.552 6.645 440 HB1 ALA 58 HB1 ALA 58 -7.479 0.560 5.548 441 HB2 ALA 58 HB2 ALA 58 -8.796 0.502 6.718 442 HB3 ALA 58 HB3 ALA 58 -7.133 0.246 7.248 443 H GLN 59 HN GLN 59 -10.118 2.626 6.898 444 HA GLN 59 HA GLN 59 -10.641 3.541 4.292 445 HB2 GLN 59 HB2 GLN 59 -12.379 2.631 5.763 446 HB3 GLN 59 HB1 GLN 59 -12.206 4.013 6.836 447 HG2 GLN 59 HG2 GLN 59 -12.921 5.486 4.988 448 HG3 GLN 59 HG1 GLN 59 -13.191 4.054 3.995 449 HE21 GLN 59 HE21 GLN 59 -14.173 2.491 6.261 450 HE22 GLN 59 HE22 GLN 59 -15.770 3.067 6.575 451 H ALA 60 HN ALA 60 -10.056 5.253 7.324 452 HA ALA 60 HA ALA 60 -10.519 7.858 6.436 453 HB1 ALA 60 HB1 ALA 60 -10.276 7.284 8.798 454 HB2 ALA 60 HB2 ALA 60 -9.169 8.580 8.342 455 HB3 ALA 60 HB3 ALA 60 -8.567 6.935 8.545 456 H PHE 61 HN PHE 61 -7.459 6.018 6.535 457 HA PHE 61 HA PHE 61 -5.890 8.073 5.381 458 HD1 PHE 61 HD1 PHE 61 -3.292 7.971 6.290 459 HD2 PHE 61 HD2 PHE 61 -3.943 4.889 3.419 460 HE1 PHE 61 HE1 PHE 61 -1.122 8.484 5.252 461 HE2 PHE 61 HE2 PHE 61 -1.772 5.396 2.384 462 HZ PHE 61 HZ PHE 61 -0.360 7.193 3.298 463 HB2 PHE 61 HB2 PHE 61 -4.965 6.125 6.640 464 HB3 PHE 61 HB1 PHE 61 -5.383 5.089 5.280 465 H SER 62 HN SER 62 -7.608 5.306 4.020 466 HA SER 62 HA SER 62 -6.800 5.549 1.368 467 HG SER 62 HG SER 62 -8.185 4.007 -0.005 468 HB2 SER 62 HB2 SER 62 -8.060 3.618 2.240 469 HB3 SER 62 HB1 SER 62 -9.483 4.638 2.442 470 H ASN 63 HN ASN 63 -9.695 6.906 2.951 471 HA ASN 63 HA ASN 63 -10.592 8.340 0.707 472 HB2 ASN 63 HB2 ASN 63 -11.133 8.758 3.648 473 HB3 ASN 63 HB1 ASN 63 -11.943 9.663 2.372 474 HD21 ASN 63 HD21 ASN 63 -13.159 7.960 4.319 475 HD22 ASN 63 HD22 ASN 63 -13.932 6.672 3.453 476 H SER 64 HN SER 64 -8.227 9.132 3.158 477 HA SER 64 HA SER 64 -8.026 11.895 2.621 478 HG SER 64 HG SER 64 -7.602 10.060 4.992 479 HB2 SER 64 HB2 SER 64 -5.869 9.971 3.540 480 HB3 SER 64 HB1 SER 64 -5.765 11.732 3.604 481 H LEU 65 HN LEU 65 -6.572 9.061 1.116 482 HA LEU 65 HA LEU 65 -5.030 10.564 -0.767 483 HG LEU 65 HG LEU 65 -4.411 8.074 1.083 484 HB2 LEU 65 HB2 LEU 65 -5.903 7.671 -0.814 485 HB3 LEU 65 HB1 LEU 65 -4.732 8.388 -1.904 486 HD11 LEU 65 HD11 LEU 65 -4.196 5.977 -0.148 487 HD12 LEU 65 HD12 LEU 65 -2.641 6.506 0.493 488 HD13 LEU 65 HD13 LEU 65 -3.009 6.722 -1.218 489 HD21 LEU 65 HD21 LEU 65 -3.362 10.129 0.242 490 HD22 LEU 65 HD22 LEU 65 -2.485 9.177 -0.957 491 HD23 LEU 65 HD23 LEU 65 -2.166 8.939 0.761 492 H ILE 66 HN ILE 66 -8.222 9.084 -0.720 493 HA ILE 66 HA ILE 66 -8.946 9.475 -3.395 494 HB ILE 66 HB ILE 66 -10.783 9.770 -1.007 495 HG12 ILE 66 HG12 ILE 66 -9.580 7.658 -0.845 496 HG13 ILE 66 HG11 ILE 66 -11.255 7.363 -1.295 497 HG21 ILE 66 HG21 ILE 66 -11.328 9.030 -3.879 498 HG22 ILE 66 HG22 ILE 66 -11.791 10.528 -3.070 499 HG23 ILE 66 HG23 ILE 66 -12.519 8.997 -2.578 500 HD11 ILE 66 HD11 ILE 66 -9.778 5.930 -2.538 501 HD12 ILE 66 HD12 ILE 66 -8.882 7.327 -3.136 502 HD13 ILE 66 HD13 ILE 66 -10.558 7.080 -3.625 503 H ASN 67 HN ASN 67 -9.111 11.623 -0.595 504 HA ASN 67 HA ASN 67 -10.273 13.827 -1.927 505 HB2 ASN 67 HB2 ASN 67 -8.572 13.663 0.565 506 HB3 ASN 67 HB1 ASN 67 -9.313 15.156 -0.004 507 HD21 ASN 67 HD21 ASN 67 -9.762 13.644 2.472 508 HD22 ASN 67 HD22 ASN 67 -11.450 13.272 2.499 509 H ALA 68 HN ALA 68 -6.960 12.727 -1.571 510 HA ALA 68 HA ALA 68 -5.729 15.000 -2.749 511 HB1 ALA 68 HB1 ALA 68 -4.774 12.135 -2.677 512 HB2 ALA 68 HB2 ALA 68 -4.454 13.366 -1.456 513 HB3 ALA 68 HB3 ALA 68 -3.787 13.542 -3.078 514 H VAL 69 HN VAL 69 -6.988 11.958 -4.051 515 HA VAL 69 HA VAL 69 -6.412 12.393 -6.761 516 HB VAL 69 HB VAL 69 -8.815 10.986 -5.570 517 HG11 VAL 69 HG11 VAL 69 -8.907 9.790 -7.729 518 HG12 VAL 69 HG12 VAL 69 -7.646 10.855 -8.350 519 HG13 VAL 69 HG13 VAL 69 -9.218 11.517 -7.899 520 HG21 VAL 69 HG21 VAL 69 -7.524 8.936 -5.915 521 HG22 VAL 69 HG22 VAL 69 -6.703 10.038 -4.809 522 HG23 VAL 69 HG23 VAL 69 -6.156 9.896 -6.480 523 H LYS 70 HN LYS 70 -9.219 13.355 -4.807 524 HA LYS 70 HA LYS 70 -10.654 14.695 -6.805 525 HB2 LYS 70 HB2 LYS 70 -10.480 15.331 -3.852 526 HB3 LYS 70 HB1 LYS 70 -11.692 15.977 -4.949 527 HG2 LYS 70 HG2 LYS 70 -12.536 13.715 -5.345 528 HG3 LYS 70 HG1 LYS 70 -11.315 13.072 -4.244 529 HD2 LYS 70 HD2 LYS 70 -12.268 14.464 -2.432 530 HD3 LYS 70 HD1 LYS 70 -13.535 14.993 -3.540 531 HE2 LYS 70 HE2 LYS 70 -13.015 12.145 -2.694 532 HE3 LYS 70 HE1 LYS 70 -14.285 13.184 -2.056 533 HZ1 LYS 70 HZ1 LYS 70 -15.079 13.351 -4.439 534 HZ2 LYS 70 HZ2 LYS 70 -15.300 11.862 -3.667 535 HZ3 LYS 70 HZ3 LYS 70 -14.038 12.052 -4.784 536 H THR 71 HN THR 71 -7.907 15.674 -4.869 537 HA THR 71 HA THR 71 -7.940 18.428 -5.555 538 HB THR 71 HB THR 71 -5.532 16.767 -4.769 539 HG1 THR 71 HG1 THR 71 -7.537 16.835 -3.329 540 HG21 THR 71 HG21 THR 71 -6.097 19.719 -4.455 541 HG22 THR 71 HG22 THR 71 -5.005 19.009 -5.644 542 HG23 THR 71 HG23 THR 71 -4.645 18.878 -3.921 543 H ARG 72 HN ARG 72 -6.707 15.556 -7.130 544 HA ARG 72 HA ARG 72 -5.258 16.958 -9.162 545 HE ARG 72 HE ARG 72 -3.970 14.434 -11.561 546 HB2 ARG 72 HB2 ARG 72 -6.099 14.143 -8.698 547 HB3 ARG 72 HB1 ARG 72 -5.728 14.611 -10.353 548 HG2 ARG 72 HG2 ARG 72 -3.876 14.939 -8.001 549 HG3 ARG 72 HG1 ARG 72 -3.798 13.640 -9.196 550 HD2 ARG 72 HD2 ARG 72 -3.485 16.592 -9.732 551 HD3 ARG 72 HD1 ARG 72 -2.193 15.389 -9.736 552 HH11 ARG 72 HH11 ARG 72 -2.302 17.495 -11.171 553 HH12 ARG 72 HH12 ARG 72 -2.319 17.852 -12.876 554 HH21 ARG 72 HH21 ARG 72 -4.012 14.910 -13.772 555 HH22 ARG 72 HH22 ARG 72 -3.295 16.384 -14.362 556 H LEU 73 HN LEU 73 -8.550 16.021 -8.659 557 HA LEU 73 HA LEU 73 -9.394 16.703 -11.337 558 HG LEU 73 HG LEU 73 -11.066 14.905 -11.663 559 HB2 LEU 73 HB2 LEU 73 -10.789 15.889 -8.820 560 HB3 LEU 73 HB1 LEU 73 -11.713 16.691 -10.073 561 HD11 LEU 73 HD11 LEU 73 -10.073 12.840 -10.819 562 HD12 LEU 73 HD12 LEU 73 -9.847 13.593 -9.241 563 HD13 LEU 73 HD13 LEU 73 -8.971 14.206 -10.643 564 HD21 LEU 73 HD21 LEU 73 -13.180 14.784 -10.451 565 HD22 LEU 73 HD22 LEU 73 -12.382 13.928 -9.132 566 HD23 LEU 73 HD23 LEU 73 -12.508 13.176 -10.722 567 H GLU 74 HN GLU 74 -8.624 18.357 -8.499 568 HA GLU 74 HA GLU 74 -10.103 20.755 -9.147 569 HB2 GLU 74 HB2 GLU 74 -7.923 20.177 -7.129 570 HB3 GLU 74 HB1 GLU 74 -8.660 21.762 -7.330 571 HG2 GLU 74 HG2 GLU 74 -10.801 20.922 -6.669 572 HG3 GLU 74 HG1 GLU 74 -10.205 19.265 -6.660 573 H HIS 75 HN HIS 75 -9.550 21.796 -10.919 574 HA HIS 75 HA HIS 75 -7.084 21.386 -12.268 575 HD1 HIS 75 HD1 HIS 75 -9.303 23.951 -15.470 576 HD2 HIS 75 HD2 HIS 75 -5.875 22.013 -14.136 577 HE1 HIS 75 HE1 HIS 75 -7.677 24.050 -17.388 578 HE2 HIS 75 HE2 HIS 75 -5.684 22.706 -16.621 579 HB2 HIS 75 HB2 HIS 75 -9.358 21.945 -13.280 580 HB3 HIS 75 HB1 HIS 75 -9.061 23.608 -12.793 581 H HIS 76 HN HIS 76 -8.416 24.024 -10.355 582 HA HIS 76 HA HIS 76 -5.676 24.865 -9.783 583 HD1 HIS 76 HD1 HIS 76 -4.255 27.390 -11.036 584 HD2 HIS 76 HD2 HIS 76 -7.467 26.045 -13.317 585 HE1 HIS 76 HE1 HIS 76 -3.463 27.434 -13.428 586 HE2 HIS 76 HE2 HIS 76 -5.442 26.664 -14.799 587 HB2 HIS 76 HB2 HIS 76 -7.904 26.722 -10.630 588 HB3 HIS 76 HB1 HIS 76 -6.483 27.277 -9.755 589 H HIS 77 HN HIS 77 -8.813 26.258 -8.921 590 HA HIS 77 HA HIS 77 -9.810 26.607 -6.897 591 HD1 HIS 77 HD1 HIS 77 -10.273 22.761 -4.434 592 HD2 HIS 77 HD2 HIS 77 -11.925 26.317 -5.828 593 HE1 HIS 77 HE1 HIS 77 -12.221 23.257 -2.910 594 HE2 HIS 77 HE2 HIS 77 -13.352 25.263 -3.947 595 HB2 HIS 77 HB2 HIS 77 -10.153 24.122 -7.459 596 HB3 HIS 77 HB1 HIS 77 -8.920 23.798 -6.247 597 H HIS 78 HN HIS 78 -7.988 28.101 -6.437 598 HA HIS 78 HA HIS 78 -5.635 27.193 -5.151 599 HD1 HIS 78 HD1 HIS 78 -5.549 31.553 -3.889 600 HD2 HIS 78 HD2 HIS 78 -3.125 28.400 -5.105 601 HE1 HIS 78 HE1 HIS 78 -3.309 31.979 -2.839 602 HE2 HIS 78 HE2 HIS 78 -1.979 29.901 -3.333 603 HB2 HIS 78 HB2 HIS 78 -5.692 29.217 -6.536 604 HB3 HIS 78 HB1 HIS 78 -6.752 29.994 -5.367 605 H HIS 79 HN HIS 79 -6.140 26.073 -3.278 606 HA HIS 79 HA HIS 79 -7.014 27.806 -1.068 607 HD1 HIS 79 HD1 HIS 79 -5.967 23.575 -0.169 608 HD2 HIS 79 HD2 HIS 79 -8.747 24.228 -3.197 609 HE1 HIS 79 HE1 HIS 79 -6.052 21.437 -1.492 610 HE2 HIS 79 HE2 HIS 79 -7.858 21.804 -3.220 611 HB2 HIS 79 HB2 HIS 79 -7.555 25.665 0.173 612 HB3 HIS 79 HB1 HIS 79 -8.622 26.082 -1.157 613 H HIS 80 HN HIS 80 -4.677 28.407 -1.439 614 HA HIS 80 HA HIS 80 -3.159 27.362 0.725 615 HD1 HIS 80 HD1 HIS 80 -1.035 25.614 1.350 616 HD2 HIS 80 HD2 HIS 80 0.501 27.579 -1.981 617 HE1 HIS 80 HE1 HIS 80 1.430 25.867 1.785 618 HE2 HIS 80 HE2 HIS 80 2.302 27.216 -0.160 619 HB2 HIS 80 HB2 HIS 80 -2.576 25.624 -0.896 620 HB3 HIS 80 HB1 HIS 80 -2.123 26.845 -2.079 621 HA MET 1 HA MET 1 10.674 -14.018 -26.345 622 H1 MET 1 HT1 MET 1 10.447 -16.784 -27.365 623 H2 MET 1 HT2 MET 1 11.814 -15.781 -27.392 624 H3 MET 1 HT3 MET 1 10.467 -15.405 -28.351 625 HB2 MET 1 HB2 MET 1 8.497 -14.342 -27.428 626 HB3 MET 1 HB1 MET 1 8.241 -15.817 -26.505 627 HG2 MET 1 HG2 MET 1 6.995 -13.889 -25.622 628 HG3 MET 1 HG1 MET 1 8.126 -14.571 -24.453 629 HE1 MET 1 HE1 MET 1 8.026 -12.459 -22.925 630 HE2 MET 1 HE2 MET 1 6.850 -11.710 -24.003 631 HE3 MET 1 HE3 MET 1 8.275 -10.807 -23.489 632 H ALA 2 HN ALA 2 10.664 -13.873 -24.087 633 HA ALA 2 HA ALA 2 11.836 -16.169 -22.816 634 HB1 ALA 2 HB1 ALA 2 12.177 -14.689 -20.906 635 HB2 ALA 2 HB2 ALA 2 11.199 -13.446 -21.686 636 HB3 ALA 2 HB3 ALA 2 12.731 -13.943 -22.404 637 H GLN 3 HN GLN 3 9.427 -14.045 -21.299 638 HA GLN 3 HA GLN 3 7.908 -16.442 -20.543 639 HB2 GLN 3 HB2 GLN 3 7.767 -15.698 -18.240 640 HB3 GLN 3 HB1 GLN 3 9.455 -15.859 -18.704 641 HG2 GLN 3 HG2 GLN 3 9.700 -13.495 -18.907 642 HG3 GLN 3 HG1 GLN 3 7.967 -13.246 -18.710 643 HE21 GLN 3 HE21 GLN 3 10.961 -13.971 -17.110 644 HE22 GLN 3 HE22 GLN 3 10.383 -13.735 -15.498 645 H HIS 4 HN HIS 4 5.763 -16.017 -19.761 646 HA HIS 4 HA HIS 4 4.721 -13.338 -20.355 647 HD1 HIS 4 HD1 HIS 4 5.001 -17.215 -22.096 648 HD2 HIS 4 HD2 HIS 4 1.255 -16.494 -20.435 649 HE1 HIS 4 HE1 HIS 4 3.930 -19.474 -21.827 650 HE2 HIS 4 HE2 HIS 4 1.595 -18.996 -20.999 651 HB2 HIS 4 HB2 HIS 4 2.679 -14.331 -21.336 652 HB3 HIS 4 HB1 HIS 4 4.116 -14.705 -22.275 653 H SER 5 HN SER 5 3.863 -12.527 -18.567 654 HA SER 5 HA SER 5 3.345 -14.308 -16.350 655 HG SER 5 HG SER 5 3.794 -12.425 -14.076 656 HB2 SER 5 HB2 SER 5 4.601 -12.208 -15.992 657 HB3 SER 5 HB1 SER 5 3.172 -11.286 -16.456 658 H LYS 6 HN LYS 6 1.458 -14.909 -15.607 659 HA LYS 6 HA LYS 6 -0.976 -13.479 -16.435 660 HB2 LYS 6 HB2 LYS 6 -2.134 -15.697 -16.497 661 HB3 LYS 6 HB1 LYS 6 -0.921 -15.501 -17.755 662 HG2 LYS 6 HG2 LYS 6 0.531 -17.012 -16.781 663 HG3 LYS 6 HG1 LYS 6 -0.196 -16.835 -15.182 664 HD2 LYS 6 HD2 LYS 6 -1.564 -18.117 -17.544 665 HD3 LYS 6 HD1 LYS 6 -0.703 -19.008 -16.284 666 HE2 LYS 6 HE2 LYS 6 -2.218 -18.056 -14.599 667 HE3 LYS 6 HE1 LYS 6 -3.087 -17.203 -15.874 668 HZ1 LYS 6 HZ1 LYS 6 -4.169 -19.278 -15.180 669 HZ2 LYS 6 HZ2 LYS 6 -2.817 -20.156 -15.705 670 HZ3 LYS 6 HZ3 LYS 6 -3.750 -19.288 -16.823 671 H TYR 7 HN TYR 7 0.642 -13.219 -14.109 672 HA TYR 7 HA TYR 7 0.520 -13.060 -11.855 673 HD1 TYR 7 HD1 TYR 7 -0.241 -11.256 -11.464 674 HD2 TYR 7 HD2 TYR 7 -4.073 -12.937 -12.234 675 HE1 TYR 7 HE1 TYR 7 -1.182 -8.993 -11.682 676 HE2 TYR 7 HE2 TYR 7 -5.024 -10.682 -12.458 677 HH TYR 7 HH TYR 7 -3.038 -7.855 -12.648 678 HB2 TYR 7 HB2 TYR 7 -2.200 -14.330 -12.172 679 HB3 TYR 7 HB1 TYR 7 -1.516 -13.882 -10.617 680 H SER 8 HN SER 8 2.279 -14.420 -11.662 681 HA SER 8 HA SER 8 1.738 -17.220 -11.060 682 HG SER 8 HG SER 8 3.412 -17.562 -13.219 683 HB2 SER 8 HB2 SER 8 4.395 -15.792 -11.274 684 HB3 SER 8 HB1 SER 8 4.140 -17.535 -11.181 685 H ASP 9 HN ASP 9 1.471 -17.811 -9.005 686 HA ASP 9 HA ASP 9 1.705 -15.959 -6.879 687 HB2 ASP 9 HB2 ASP 9 1.159 -17.816 -5.407 688 HB3 ASP 9 HB1 ASP 9 0.138 -17.879 -6.836 689 H ALA 10 HN ALA 10 3.923 -17.935 -8.485 690 HA ALA 10 HA ALA 10 5.870 -18.003 -6.339 691 HB1 ALA 10 HB1 ALA 10 6.155 -18.747 -9.251 692 HB2 ALA 10 HB2 ALA 10 5.758 -19.855 -7.938 693 HB3 ALA 10 HB3 ALA 10 7.335 -19.066 -7.979 694 H GLN 11 HN GLN 11 5.188 -16.200 -9.272 695 HA GLN 11 HA GLN 11 7.582 -14.633 -9.190 696 HB2 GLN 11 HB2 GLN 11 6.283 -14.967 -11.264 697 HB3 GLN 11 HB1 GLN 11 4.946 -14.066 -10.566 698 HG2 GLN 11 HG2 GLN 11 6.334 -12.066 -10.467 699 HG3 GLN 11 HG1 GLN 11 7.690 -12.970 -11.139 700 HE21 GLN 11 HE21 GLN 11 7.847 -11.644 -12.933 701 HE22 GLN 11 HE22 GLN 11 6.683 -11.686 -14.215 702 H LEU 12 HN LEU 12 4.237 -14.176 -8.150 703 HA LEU 12 HA LEU 12 4.439 -11.562 -7.200 704 HG LEU 12 HG LEU 12 2.802 -11.958 -4.556 705 HB2 LEU 12 HB2 LEU 12 2.294 -12.687 -7.446 706 HB3 LEU 12 HB1 LEU 12 2.725 -13.837 -6.193 707 HD11 LEU 12 HD11 LEU 12 1.793 -9.824 -5.165 708 HD12 LEU 12 HD12 LEU 12 1.647 -10.364 -6.838 709 HD13 LEU 12 HD13 LEU 12 3.242 -10.144 -6.118 710 HD21 LEU 12 HD21 LEU 12 0.817 -13.346 -4.737 711 HD22 LEU 12 HD22 LEU 12 0.191 -12.314 -6.022 712 HD23 LEU 12 HD23 LEU 12 0.376 -11.673 -4.386 713 H SER 13 HN SER 13 4.801 -14.631 -5.404 714 HA SER 13 HA SER 13 5.354 -13.505 -2.925 715 HG SER 13 HG SER 13 5.576 -16.896 -4.679 716 HB2 SER 13 HB2 SER 13 6.517 -15.702 -2.439 717 HB3 SER 13 HB1 SER 13 4.860 -15.831 -3.029 718 H ALA 14 HN ALA 14 7.593 -14.375 -5.543 719 HA ALA 14 HA ALA 14 9.990 -13.746 -4.274 720 HB1 ALA 14 HB1 ALA 14 9.307 -13.358 -7.185 721 HB2 ALA 14 HB2 ALA 14 9.857 -14.863 -6.448 722 HB3 ALA 14 HB3 ALA 14 10.929 -13.465 -6.499 723 H ILE 15 HN ILE 15 7.708 -11.649 -5.983 724 HA ILE 15 HA ILE 15 9.293 -9.300 -5.820 725 HB ILE 15 HB ILE 15 6.303 -9.580 -6.158 726 HG12 ILE 15 HG12 ILE 15 8.495 -9.127 -8.196 727 HG13 ILE 15 HG11 ILE 15 7.644 -10.646 -7.940 728 HG21 ILE 15 HG21 ILE 15 6.866 -7.364 -5.341 729 HG22 ILE 15 HG22 ILE 15 6.381 -7.283 -7.034 730 HG23 ILE 15 HG23 ILE 15 8.088 -7.189 -6.601 731 HD11 ILE 15 HD11 ILE 15 6.395 -8.070 -8.870 732 HD12 ILE 15 HD12 ILE 15 5.559 -9.606 -8.638 733 HD13 ILE 15 HD13 ILE 15 6.798 -9.454 -9.885 734 H VAL 16 HN VAL 16 6.591 -10.518 -3.819 735 HA VAL 16 HA VAL 16 6.539 -8.313 -2.048 736 HB VAL 16 HB VAL 16 5.869 -11.018 -0.976 737 HG11 VAL 16 HG11 VAL 16 4.364 -8.406 -0.908 738 HG12 VAL 16 HG12 VAL 16 5.553 -8.904 0.299 739 HG13 VAL 16 HG13 VAL 16 4.071 -9.838 0.086 740 HG21 VAL 16 HG21 VAL 16 5.032 -11.148 -3.267 741 HG22 VAL 16 HG22 VAL 16 4.178 -9.622 -3.051 742 HG23 VAL 16 HG23 VAL 16 3.705 -11.037 -2.112 743 H ASN 17 HN ASN 17 8.246 -11.404 -1.970 744 HA ASN 17 HA ASN 17 9.472 -10.986 0.558 745 HB2 ASN 17 HB2 ASN 17 10.092 -12.864 -1.719 746 HB3 ASN 17 HB1 ASN 17 11.045 -12.829 -0.239 747 HD21 ASN 17 HD21 ASN 17 9.419 -14.974 -1.349 748 HD22 ASN 17 HD22 ASN 17 8.247 -15.363 -0.130 749 H ASP 18 HN ASP 18 10.162 -9.773 -2.578 750 HA ASP 18 HA ASP 18 12.938 -9.289 -2.157 751 HB2 ASP 18 HB2 ASP 18 11.803 -9.444 -4.422 752 HB3 ASP 18 HB1 ASP 18 11.082 -7.877 -4.079 753 H MET 19 HN MET 19 9.959 -7.369 -2.082 754 HA MET 19 HA MET 19 11.016 -4.957 -1.173 755 HB2 MET 19 HB2 MET 19 8.325 -6.188 -0.545 756 HB3 MET 19 HB1 MET 19 8.746 -4.502 -0.282 757 HG2 MET 19 HG2 MET 19 8.693 -5.885 -2.955 758 HG3 MET 19 HG1 MET 19 7.425 -4.843 -2.316 759 HE1 MET 19 HE1 MET 19 8.996 -2.649 -5.152 760 HE2 MET 19 HE2 MET 19 7.502 -3.316 -4.493 761 HE3 MET 19 HE3 MET 19 8.732 -4.393 -5.155 762 H ILE 20 HN ILE 20 9.861 -7.765 0.651 763 HA ILE 20 HA ILE 20 10.327 -6.766 3.234 764 HB ILE 20 HB ILE 20 10.463 -9.629 2.262 765 HG12 ILE 20 HG12 ILE 20 8.202 -8.101 3.570 766 HG13 ILE 20 HG11 ILE 20 8.300 -8.487 1.856 767 HG21 ILE 20 HG21 ILE 20 11.588 -9.384 4.408 768 HG22 ILE 20 HG22 ILE 20 10.062 -10.248 4.604 769 HG23 ILE 20 HG23 ILE 20 10.180 -8.549 5.064 770 HD11 ILE 20 HD11 ILE 20 8.141 -10.491 4.094 771 HD12 ILE 20 HD12 ILE 20 8.191 -10.859 2.370 772 HD13 ILE 20 HD13 ILE 20 6.809 -10.000 3.050 773 H ALA 21 HN ALA 21 12.424 -8.521 0.982 774 HA ALA 21 HA ALA 21 14.681 -8.697 2.656 775 HB1 ALA 21 HB1 ALA 21 14.459 -10.024 0.622 776 HB2 ALA 21 HB2 ALA 21 15.948 -9.078 0.595 777 HB3 ALA 21 HB3 ALA 21 14.557 -8.558 -0.356 778 H VAL 22 HN VAL 22 13.606 -6.235 0.348 779 HA VAL 22 HA VAL 22 15.808 -4.522 0.476 780 HB VAL 22 HB VAL 22 12.927 -3.640 0.233 781 HG11 VAL 22 HG11 VAL 22 14.516 -1.826 0.568 782 HG12 VAL 22 HG12 VAL 22 13.862 -1.798 -1.069 783 HG13 VAL 22 HG13 VAL 22 15.488 -2.416 -0.779 784 HG21 VAL 22 HG21 VAL 22 13.293 -5.416 -1.373 785 HG22 VAL 22 HG22 VAL 22 14.802 -4.659 -1.902 786 HG23 VAL 22 HG23 VAL 22 13.262 -3.861 -2.215 787 H LEU 23 HN LEU 23 12.927 -4.693 2.541 788 HA LEU 23 HA LEU 23 13.559 -2.564 4.258 789 HG LEU 23 HG LEU 23 10.934 -3.528 3.186 790 HB2 LEU 23 HB2 LEU 23 12.029 -5.117 4.754 791 HB3 LEU 23 HB1 LEU 23 12.152 -3.827 5.934 792 HD11 LEU 23 HD11 LEU 23 9.577 -4.982 4.562 793 HD12 LEU 23 HD12 LEU 23 8.799 -3.405 4.412 794 HD13 LEU 23 HD13 LEU 23 9.651 -3.831 5.897 795 HD21 LEU 23 HD21 LEU 23 11.883 -1.452 4.033 796 HD22 LEU 23 HD22 LEU 23 11.020 -1.663 5.557 797 HD23 LEU 23 HD23 LEU 23 10.121 -1.387 4.065 798 H GLU 24 HN GLU 24 14.672 -5.870 4.151 799 HA GLU 24 HA GLU 24 16.022 -5.782 6.667 800 HB2 GLU 24 HB2 GLU 24 15.978 -7.679 4.347 801 HB3 GLU 24 HB1 GLU 24 17.165 -7.873 5.633 802 HG2 GLU 24 HG2 GLU 24 14.221 -7.679 6.183 803 HG3 GLU 24 HG1 GLU 24 15.026 -9.209 5.825 804 H LYS 25 HN LYS 25 16.803 -4.802 3.450 805 HA LYS 25 HA LYS 25 19.650 -4.871 3.767 806 HB2 LYS 25 HB2 LYS 25 18.114 -3.157 1.815 807 HB3 LYS 25 HB1 LYS 25 19.774 -3.710 1.677 808 HG2 LYS 25 HG2 LYS 25 17.304 -5.419 1.506 809 HG3 LYS 25 HG1 LYS 25 18.333 -4.919 0.163 810 HD2 LYS 25 HD2 LYS 25 20.187 -6.190 1.073 811 HD3 LYS 25 HD1 LYS 25 19.225 -6.623 2.491 812 HE2 LYS 25 HE2 LYS 25 17.631 -7.789 1.035 813 HE3 LYS 25 HE1 LYS 25 18.616 -7.373 -0.367 814 HZ1 LYS 25 HZ1 LYS 25 20.395 -8.705 0.471 815 HZ2 LYS 25 HZ2 LYS 25 18.985 -9.643 0.464 816 HZ3 LYS 25 HZ3 LYS 25 19.571 -9.006 1.923 817 H HIS 26 HN HIS 26 17.219 -2.282 3.778 818 HA HIS 26 HA HIS 26 19.228 -0.355 4.634 819 HD1 HIS 26 HD1 HIS 26 17.126 2.036 6.182 820 HD2 HIS 26 HD2 HIS 26 18.460 2.489 2.270 821 HE1 HIS 26 HE1 HIS 26 17.860 4.434 5.989 822 HE2 HIS 26 HE2 HIS 26 18.810 4.641 3.661 823 HB2 HIS 26 HB2 HIS 26 17.391 0.098 2.898 824 HB3 HIS 26 HB1 HIS 26 16.282 0.179 4.260 825 H LYS 27 HN LYS 27 16.793 -2.334 5.990 826 HA LYS 27 HA LYS 27 15.926 -2.618 8.048 827 HB2 LYS 27 HB2 LYS 27 18.356 -0.996 8.752 828 HB3 LYS 27 HB1 LYS 27 17.180 -1.426 9.988 829 HG2 LYS 27 HG2 LYS 27 18.500 -3.461 8.211 830 HG3 LYS 27 HG1 LYS 27 19.165 -2.962 9.769 831 HD2 LYS 27 HD2 LYS 27 17.060 -3.651 10.854 832 HD3 LYS 27 HD1 LYS 27 16.454 -4.202 9.292 833 HE2 LYS 27 HE2 LYS 27 19.003 -5.242 10.501 834 HE3 LYS 27 HE1 LYS 27 17.433 -5.969 10.835 835 HZ1 LYS 27 HZ1 LYS 27 18.694 -7.054 9.020 836 HZ2 LYS 27 HZ2 LYS 27 18.548 -5.635 8.102 837 HZ3 LYS 27 HZ3 LYS 27 17.158 -6.505 8.547 838 H ALA 28 HN ALA 28 14.000 -1.663 7.550 839 HA ALA 28 HA ALA 28 13.588 0.970 8.791 840 HB1 ALA 28 HB1 ALA 28 13.608 1.310 6.381 841 HB2 ALA 28 HB2 ALA 28 11.983 1.543 7.024 842 HB3 ALA 28 HB3 ALA 28 12.389 0.051 6.176 843 HA PRO 29 HA PRO 29 10.562 -1.527 10.915 844 HB2 PRO 29 HB2 PRO 29 9.532 0.450 12.458 845 HB3 PRO 29 HB1 PRO 29 11.089 -0.315 12.797 846 HG2 PRO 29 HG2 PRO 29 10.513 2.296 11.448 847 HG3 PRO 29 HG1 PRO 29 11.760 1.904 12.647 848 HD2 PRO 29 HD2 PRO 29 12.279 2.074 9.985 849 HD3 PRO 29 HD1 PRO 29 13.167 0.989 11.073 850 H VAL 30 HN VAL 30 8.240 -1.601 11.142 851 HA VAL 30 HA VAL 30 6.793 -1.134 8.846 852 HB VAL 30 HB VAL 30 5.683 -1.281 11.657 853 HG11 VAL 30 HG11 VAL 30 4.370 -1.904 9.014 854 HG12 VAL 30 HG12 VAL 30 4.037 -0.501 10.030 855 HG13 VAL 30 HG13 VAL 30 3.649 -2.121 10.610 856 HG21 VAL 30 HG21 VAL 30 7.130 -3.168 11.200 857 HG22 VAL 30 HG22 VAL 30 6.288 -3.477 9.681 858 HG23 VAL 30 HG23 VAL 30 5.445 -3.690 11.215 859 H ASP 31 HN ASP 31 7.263 0.983 11.588 860 HA ASP 31 HA ASP 31 5.273 2.869 11.167 861 HB2 ASP 31 HB2 ASP 31 6.775 2.703 13.156 862 HB3 ASP 31 HB1 ASP 31 8.075 3.382 12.186 863 H LEU 32 HN LEU 32 8.697 3.421 10.314 864 HA LEU 32 HA LEU 32 8.156 5.515 8.515 865 HG LEU 32 HG LEU 32 10.213 5.337 10.701 866 HB2 LEU 32 HB2 LEU 32 10.573 3.749 8.858 867 HB3 LEU 32 HB1 LEU 32 10.525 5.072 7.709 868 HD11 LEU 32 HD11 LEU 32 12.493 4.781 10.042 869 HD12 LEU 32 HD12 LEU 32 12.382 6.453 10.599 870 HD13 LEU 32 HD13 LEU 32 12.482 6.102 8.873 871 HD21 LEU 32 HD21 LEU 32 10.334 7.747 10.265 872 HD22 LEU 32 HD22 LEU 32 8.918 7.015 9.511 873 HD23 LEU 32 HD23 LEU 32 10.325 7.428 8.531 874 H SER 33 HN SER 33 8.457 2.043 8.024 875 HA SER 33 HA SER 33 8.671 2.107 5.210 876 HG SER 33 HG SER 33 7.508 0.072 4.395 877 HB2 SER 33 HB2 SER 33 9.245 0.106 6.511 878 HB3 SER 33 HB1 SER 33 7.559 -0.069 7.001 879 H LEU 34 HN LEU 34 5.912 2.165 7.395 880 HA LEU 34 HA LEU 34 3.926 1.767 5.396 881 HG LEU 34 HG LEU 34 1.571 3.133 6.486 882 HB2 LEU 34 HB2 LEU 34 3.678 1.516 7.926 883 HB3 LEU 34 HB1 LEU 34 3.558 3.264 7.987 884 HD11 LEU 34 HD11 LEU 34 2.061 1.013 5.414 885 HD12 LEU 34 HD12 LEU 34 0.484 0.952 6.204 886 HD13 LEU 34 HD13 LEU 34 1.878 0.172 6.953 887 HD21 LEU 34 HD21 LEU 34 0.040 2.340 8.206 888 HD22 LEU 34 HD22 LEU 34 1.332 3.309 8.914 889 HD23 LEU 34 HD23 LEU 34 1.375 1.551 9.047 890 H ILE 35 HN ILE 35 5.440 4.608 6.849 891 HA ILE 35 HA ILE 35 3.913 6.575 5.531 892 HB ILE 35 HB ILE 35 6.817 6.782 6.354 893 HG12 ILE 35 HG12 ILE 35 4.312 7.441 7.927 894 HG13 ILE 35 HG11 ILE 35 5.338 6.038 8.207 895 HG21 ILE 35 HG21 ILE 35 6.065 8.572 4.865 896 HG22 ILE 35 HG22 ILE 35 6.373 9.179 6.491 897 HG23 ILE 35 HG23 ILE 35 4.716 8.909 5.951 898 HD11 ILE 35 HD11 ILE 35 6.114 8.926 8.550 899 HD12 ILE 35 HD12 ILE 35 7.201 7.552 8.754 900 HD13 ILE 35 HD13 ILE 35 5.817 7.748 9.829 901 H ALA 36 HN ALA 36 6.883 4.891 4.588 902 HA ALA 36 HA ALA 36 7.323 6.201 2.145 903 HB1 ALA 36 HB1 ALA 36 9.005 4.784 3.212 904 HB2 ALA 36 HB2 ALA 36 8.689 4.258 1.557 905 HB3 ALA 36 HB3 ALA 36 8.005 3.362 2.915 906 H LEU 37 HN LEU 37 5.409 3.341 2.970 907 HA LEU 37 HA LEU 37 4.619 2.658 0.357 908 HG LEU 37 HG LEU 37 1.721 1.704 1.008 909 HB2 LEU 37 HB2 LEU 37 4.389 1.181 2.323 910 HB3 LEU 37 HB1 LEU 37 3.140 2.236 2.955 911 HD11 LEU 37 HD11 LEU 37 2.333 -0.136 -0.468 912 HD12 LEU 37 HD12 LEU 37 3.910 -0.247 0.313 913 HD13 LEU 37 HD13 LEU 37 3.478 1.198 -0.602 914 HD21 LEU 37 HD21 LEU 37 2.727 -0.678 2.559 915 HD22 LEU 37 HD22 LEU 37 1.211 -0.609 1.660 916 HD23 LEU 37 HD23 LEU 37 1.455 0.439 3.056 917 H GLY 38 HN GLY 38 3.208 4.821 2.773 918 HA2 GLY 38 HA2 GLY 38 0.850 5.476 1.393 919 HA3 GLY 38 HA1 GLY 38 1.643 6.491 2.589 920 H ASN 39 HN ASN 39 4.051 7.017 1.341 921 HA ASN 39 HA ASN 39 3.387 9.085 -0.452 922 HB2 ASN 39 HB2 ASN 39 5.498 8.898 0.946 923 HB3 ASN 39 HB1 ASN 39 6.087 7.730 -0.230 924 HD21 ASN 39 HD21 ASN 39 7.128 10.355 0.549 925 HD22 ASN 39 HD22 ASN 39 7.224 11.281 -0.905 926 H MET 40 HN MET 40 4.646 5.815 -0.984 927 HA MET 40 HA MET 40 4.897 5.954 -3.774 928 HB2 MET 40 HB2 MET 40 5.886 4.142 -2.482 929 HB3 MET 40 HB1 MET 40 4.289 3.561 -2.030 930 HG2 MET 40 HG2 MET 40 3.811 3.106 -4.400 931 HG3 MET 40 HG1 MET 40 5.442 3.631 -4.811 932 HE1 MET 40 HE1 MET 40 7.634 2.382 -4.020 933 HE2 MET 40 HE2 MET 40 7.633 0.918 -3.037 934 HE3 MET 40 HE3 MET 40 7.110 2.449 -2.336 935 H ALA 41 HN ALA 41 2.194 4.804 -1.764 936 HA ALA 41 HA ALA 41 0.431 4.062 -3.780 937 HB1 ALA 41 HB1 ALA 41 -0.283 5.346 -1.138 938 HB2 ALA 41 HB2 ALA 41 0.046 3.631 -1.385 939 HB3 ALA 41 HB3 ALA 41 -1.354 4.378 -2.154 940 H SER 42 HN SER 42 0.940 7.245 -2.312 941 HA SER 42 HA SER 42 -1.067 8.633 -3.697 942 HG SER 42 HG SER 42 0.534 8.658 -1.064 943 HB2 SER 42 HB2 SER 42 1.603 9.723 -2.766 944 HB3 SER 42 HB1 SER 42 0.129 10.647 -3.058 945 H ASN 43 HN ASN 43 2.377 8.188 -4.442 946 HA ASN 43 HA ASN 43 2.458 9.678 -6.810 947 HB2 ASN 43 HB2 ASN 43 4.487 8.958 -5.649 948 HB3 ASN 43 HB1 ASN 43 4.114 7.275 -6.000 949 HD21 ASN 43 HD21 ASN 43 4.509 6.461 -8.031 950 HD22 ASN 43 HD22 ASN 43 5.396 7.324 -9.236 951 H LEU 44 HN LEU 44 1.736 6.257 -6.261 952 HA LEU 44 HA LEU 44 1.605 5.574 -9.012 953 HG LEU 44 HG LEU 44 2.771 4.206 -6.332 954 HB2 LEU 44 HB2 LEU 44 0.380 4.194 -6.626 955 HB3 LEU 44 HB1 LEU 44 0.536 3.501 -8.228 956 HD11 LEU 44 HD11 LEU 44 3.231 1.807 -6.424 957 HD12 LEU 44 HD12 LEU 44 1.831 1.580 -7.474 958 HD13 LEU 44 HD13 LEU 44 1.608 2.136 -5.815 959 HD21 LEU 44 HD21 LEU 44 4.299 3.379 -8.036 960 HD22 LEU 44 HD22 LEU 44 3.391 4.772 -8.631 961 HD23 LEU 44 HD23 LEU 44 2.950 3.144 -9.149 962 H LEU 45 HN LEU 45 -0.828 6.570 -6.645 963 HA LEU 45 HA LEU 45 -2.991 6.027 -8.436 964 HG LEU 45 HG LEU 45 -2.533 5.180 -5.509 965 HB2 LEU 45 HB2 LEU 45 -2.906 7.594 -5.857 966 HB3 LEU 45 HB1 LEU 45 -4.375 7.233 -6.741 967 HD11 LEU 45 HD11 LEU 45 -4.330 4.831 -3.905 968 HD12 LEU 45 HD12 LEU 45 -5.261 6.131 -4.648 969 HD13 LEU 45 HD13 LEU 45 -3.737 6.491 -3.836 970 HD21 LEU 45 HD21 LEU 45 -4.297 3.585 -6.046 971 HD22 LEU 45 HD22 LEU 45 -3.666 4.345 -7.507 972 HD23 LEU 45 HD23 LEU 45 -5.219 4.858 -6.847 973 H THR 46 HN THR 46 -0.792 8.598 -8.152 974 HA THR 46 HA THR 46 -2.654 10.388 -9.554 975 HB THR 46 HB THR 46 -0.859 12.138 -9.154 976 HG1 THR 46 HG1 THR 46 0.092 10.331 -7.178 977 HG21 THR 46 HG21 THR 46 -1.508 12.491 -6.813 978 HG22 THR 46 HG22 THR 46 -2.139 10.847 -6.742 979 HG23 THR 46 HG23 THR 46 -2.894 12.033 -7.805 980 H THR 47 HN THR 47 -0.486 8.100 -10.407 981 HA THR 47 HA THR 47 0.240 9.528 -12.855 982 HB THR 47 HB THR 47 2.274 8.059 -11.169 983 HG1 THR 47 HG1 THR 47 1.874 10.033 -10.216 984 HG21 THR 47 HG21 THR 47 3.905 8.946 -12.774 985 HG22 THR 47 HG22 THR 47 2.592 9.651 -13.718 986 HG23 THR 47 HG23 THR 47 2.727 7.899 -13.567 987 H SER 48 HN SER 48 -0.089 6.412 -11.184 988 HA SER 48 HA SER 48 0.721 5.017 -13.625 989 HG SER 48 HG SER 48 2.698 3.957 -11.900 990 HB2 SER 48 HB2 SER 48 0.113 3.895 -10.883 991 HB3 SER 48 HB1 SER 48 0.822 3.013 -12.236 992 H VAL 49 HN VAL 49 -2.122 5.578 -11.668 993 HA VAL 49 HA VAL 49 -3.656 3.790 -13.431 994 HB VAL 49 HB VAL 49 -5.456 3.897 -11.754 995 HG11 VAL 49 HG11 VAL 49 -3.826 2.103 -11.605 996 HG12 VAL 49 HG12 VAL 49 -4.342 2.600 -9.993 997 HG13 VAL 49 HG13 VAL 49 -2.776 3.117 -10.615 998 HG21 VAL 49 HG21 VAL 49 -5.037 4.903 -9.556 999 HG22 VAL 49 HG22 VAL 49 -5.025 6.108 -10.843 1000 HG23 VAL 49 HG23 VAL 49 -3.505 5.545 -10.148 1001 HA PRO 50 HA PRO 50 -5.707 7.162 -15.461 1002 HB2 PRO 50 HB2 PRO 50 -8.262 5.740 -14.973 1003 HB3 PRO 50 HB1 PRO 50 -7.540 6.262 -16.498 1004 HG2 PRO 50 HG2 PRO 50 -7.572 3.687 -15.800 1005 HG3 PRO 50 HG1 PRO 50 -6.180 4.395 -16.642 1006 HD2 PRO 50 HD2 PRO 50 -6.500 3.714 -13.746 1007 HD3 PRO 50 HD1 PRO 50 -5.082 3.527 -14.800 1008 H GLN 51 HN GLN 51 -5.768 8.968 -14.288 1009 HA GLN 51 HA GLN 51 -6.584 9.115 -11.627 1010 HB2 GLN 51 HB2 GLN 51 -6.414 11.607 -11.967 1011 HB3 GLN 51 HB1 GLN 51 -4.982 10.672 -12.374 1012 HG2 GLN 51 HG2 GLN 51 -5.671 10.767 -14.756 1013 HG3 GLN 51 HG1 GLN 51 -6.993 11.834 -14.285 1014 HE21 GLN 51 HE21 GLN 51 -4.711 12.305 -16.057 1015 HE22 GLN 51 HE22 GLN 51 -3.887 13.680 -15.415 1016 H THR 52 HN THR 52 -8.390 9.787 -14.571 1017 HA THR 52 HA THR 52 -10.528 11.191 -13.443 1018 HB THR 52 HB THR 52 -10.185 11.051 -15.861 1019 HG1 THR 52 HG1 THR 52 -12.361 11.322 -14.821 1020 HG21 THR 52 HG21 THR 52 -11.107 8.185 -15.604 1021 HG22 THR 52 HG22 THR 52 -9.474 8.709 -16.013 1022 HG23 THR 52 HG23 THR 52 -10.809 9.045 -17.115 1023 H GLN 53 HN GLN 53 -9.793 7.784 -13.413 1024 HA GLN 53 HA GLN 53 -12.340 7.281 -12.018 1025 HB2 GLN 53 HB2 GLN 53 -12.314 5.000 -12.949 1026 HB3 GLN 53 HB1 GLN 53 -12.385 6.218 -14.216 1027 HG2 GLN 53 HG2 GLN 53 -9.906 5.958 -14.468 1028 HG3 GLN 53 HG1 GLN 53 -10.009 4.588 -13.366 1029 HE21 GLN 53 HE21 GLN 53 -11.006 2.691 -14.055 1030 HE22 GLN 53 HE22 GLN 53 -11.324 2.369 -15.723 1031 H CYS 54 HN CYS 54 -9.508 7.956 -11.194 1032 HA CYS 54 HA CYS 54 -8.216 5.730 -10.101 1033 HG CYS 54 HG CYS 54 -5.312 7.872 -8.536 1034 HB2 CYS 54 HB2 CYS 54 -7.147 7.927 -10.380 1035 HB3 CYS 54 HB1 CYS 54 -8.184 8.596 -9.128 1036 H GLU 55 HN GLU 55 -10.693 7.861 -8.750 1037 HA GLU 55 HA GLU 55 -10.697 6.925 -6.124 1038 HB2 GLU 55 HB2 GLU 55 -13.055 7.867 -7.766 1039 HB3 GLU 55 HB1 GLU 55 -13.020 7.728 -6.015 1040 HG2 GLU 55 HG2 GLU 55 -11.304 9.442 -5.892 1041 HG3 GLU 55 HG1 GLU 55 -11.280 9.557 -7.653 1042 H ALA 56 HN ALA 56 -12.284 5.662 -9.007 1043 HA ALA 56 HA ALA 56 -13.895 3.746 -7.703 1044 HB1 ALA 56 HB1 ALA 56 -12.845 3.733 -10.530 1045 HB2 ALA 56 HB2 ALA 56 -14.330 4.510 -9.985 1046 HB3 ALA 56 HB3 ALA 56 -14.178 2.754 -9.914 1047 H LEU 57 HN LEU 57 -10.668 3.567 -9.167 1048 HA LEU 57 HA LEU 57 -10.308 0.795 -8.635 1049 HG LEU 57 HG LEU 57 -7.829 1.590 -11.254 1050 HB2 LEU 57 HB2 LEU 57 -8.452 3.036 -9.354 1051 HB3 LEU 57 HB1 LEU 57 -7.798 1.491 -8.855 1052 HD11 LEU 57 HD11 LEU 57 -8.294 -0.571 -10.270 1053 HD12 LEU 57 HD12 LEU 57 -9.192 -0.375 -11.776 1054 HD13 LEU 57 HD13 LEU 57 -10.017 -0.205 -10.226 1055 HD21 LEU 57 HD21 LEU 57 -9.556 3.277 -11.560 1056 HD22 LEU 57 HD22 LEU 57 -10.787 2.127 -11.039 1057 HD23 LEU 57 HD23 LEU 57 -9.894 1.845 -12.535 1058 H ALA 58 HN ALA 58 -9.337 3.740 -6.939 1059 HA ALA 58 HA ALA 58 -7.862 2.478 -4.900 1060 HB1 ALA 58 HB1 ALA 58 -7.608 4.837 -5.414 1061 HB2 ALA 58 HB2 ALA 58 -8.033 4.614 -3.717 1062 HB3 ALA 58 HB3 ALA 58 -9.255 5.150 -4.870 1063 H GLN 59 HN GLN 59 -11.262 3.576 -4.987 1064 HA GLN 59 HA GLN 59 -11.864 2.793 -2.347 1065 HB2 GLN 59 HB2 GLN 59 -13.580 3.269 -4.770 1066 HB3 GLN 59 HB1 GLN 59 -14.277 2.726 -3.254 1067 HG2 GLN 59 HG2 GLN 59 -12.697 5.255 -3.660 1068 HG3 GLN 59 HG1 GLN 59 -14.451 5.140 -3.532 1069 HE21 GLN 59 HE21 GLN 59 -12.616 6.637 -1.885 1070 HE22 GLN 59 HE22 GLN 59 -12.812 6.067 -0.265 1071 H ALA 60 HN ALA 60 -11.899 1.036 -5.400 1072 HA ALA 60 HA ALA 60 -13.253 -1.263 -4.519 1073 HB1 ALA 60 HB1 ALA 60 -12.226 -2.398 -6.415 1074 HB2 ALA 60 HB2 ALA 60 -11.070 -1.079 -6.597 1075 HB3 ALA 60 HB3 ALA 60 -12.785 -0.792 -6.886 1076 H PHE 61 HN PHE 61 -9.777 -0.527 -4.646 1077 HA PHE 61 HA PHE 61 -8.899 -2.919 -3.436 1078 HD1 PHE 61 HD2 PHE 61 -6.540 -3.479 -4.785 1079 HD2 PHE 61 HD1 PHE 61 -5.920 -0.821 -1.513 1080 HE1 PHE 61 HE2 PHE 61 -4.589 -4.800 -4.084 1081 HE2 PHE 61 HE1 PHE 61 -3.970 -2.139 -0.811 1082 HZ PHE 61 HZ PHE 61 -3.299 -4.130 -2.099 1083 HB2 PHE 61 HB2 PHE 61 -7.522 -1.177 -4.724 1084 HB3 PHE 61 HB1 PHE 61 -7.474 -0.265 -3.221 1085 H SER 62 HN SER 62 -9.764 0.236 -2.136 1086 HA SER 62 HA SER 62 -9.045 -0.170 0.529 1087 HG SER 62 HG SER 62 -10.323 2.748 1.397 1088 HB2 SER 62 HB2 SER 62 -9.703 2.018 -0.484 1089 HB3 SER 62 HB1 SER 62 -11.376 1.463 -0.509 1090 H ASN 63 HN ASN 63 -12.281 -0.511 -0.942 1091 HA ASN 63 HA ASN 63 -13.561 -1.492 1.337 1092 HB2 ASN 63 HB2 ASN 63 -14.215 -1.659 -1.590 1093 HB3 ASN 63 HB1 ASN 63 -15.216 -2.484 -0.402 1094 HD21 ASN 63 HD21 ASN 63 -14.187 0.588 -1.653 1095 HD22 ASN 63 HD22 ASN 63 -15.402 1.539 -0.863 1096 H SER 64 HN SER 64 -11.779 -3.220 -1.182 1097 HA SER 64 HA SER 64 -12.624 -5.793 -0.365 1098 HG SER 64 HG SER 64 -9.798 -4.076 -1.357 1099 HB2 SER 64 HB2 SER 64 -10.730 -6.655 -1.680 1100 HB3 SER 64 HB1 SER 64 -11.636 -5.435 -2.574 1101 H LEU 65 HN LEU 65 -10.076 -3.655 0.734 1102 HA LEU 65 HA LEU 65 -8.829 -5.616 2.414 1103 HG LEU 65 HG LEU 65 -7.621 -3.541 0.420 1104 HB2 LEU 65 HB2 LEU 65 -8.673 -2.600 2.416 1105 HB3 LEU 65 HB1 LEU 65 -7.697 -3.638 3.439 1106 HD11 LEU 65 HD11 LEU 65 -5.393 -2.606 0.743 1107 HD12 LEU 65 HD12 LEU 65 -5.630 -2.628 2.491 1108 HD13 LEU 65 HD13 LEU 65 -6.628 -1.584 1.478 1109 HD21 LEU 65 HD21 LEU 65 -7.179 -5.790 1.251 1110 HD22 LEU 65 HD22 LEU 65 -5.969 -5.151 2.364 1111 HD23 LEU 65 HD23 LEU 65 -5.708 -5.048 0.624 1112 H ILE 66 HN ILE 66 -11.244 -3.074 2.814 1113 HA ILE 66 HA ILE 66 -11.503 -3.080 5.585 1114 HB ILE 66 HB ILE 66 -13.802 -2.773 3.645 1115 HG12 ILE 66 HG12 ILE 66 -12.014 -1.275 2.958 1116 HG13 ILE 66 HG11 ILE 66 -13.306 -0.345 3.709 1117 HG21 ILE 66 HG21 ILE 66 -14.757 -1.341 5.393 1118 HG22 ILE 66 HG22 ILE 66 -13.381 -1.708 6.432 1119 HG23 ILE 66 HG23 ILE 66 -14.494 -2.991 5.958 1120 HD11 ILE 66 HD11 ILE 66 -12.012 -0.185 5.759 1121 HD12 ILE 66 HD12 ILE 66 -11.114 0.451 4.380 1122 HD13 ILE 66 HD13 ILE 66 -10.724 -1.142 5.026 1123 H ASN 67 HN ASN 67 -13.209 -5.055 3.177 1124 HA ASN 67 HA ASN 67 -14.736 -6.539 5.034 1125 HB2 ASN 67 HB2 ASN 67 -13.899 -7.151 2.197 1126 HB3 ASN 67 HB1 ASN 67 -14.960 -8.197 3.130 1127 HD21 ASN 67 HD21 ASN 67 -15.450 -6.748 0.659 1128 HD22 ASN 67 HD22 ASN 67 -16.828 -5.739 0.968 1129 H ALA 68 HN ALA 68 -11.610 -7.167 3.484 1130 HA ALA 68 HA ALA 68 -11.238 -9.779 4.423 1131 HB1 ALA 68 HB1 ALA 68 -9.895 -8.785 2.633 1132 HB2 ALA 68 HB2 ALA 68 -8.879 -9.454 3.909 1133 HB3 ALA 68 HB3 ALA 68 -9.130 -7.711 3.804 1134 H VAL 69 HN VAL 69 -10.142 -6.682 5.792 1135 HA VAL 69 HA VAL 69 -8.852 -7.777 8.050 1136 HB VAL 69 HB VAL 69 -10.095 -5.049 7.663 1137 HG11 VAL 69 HG11 VAL 69 -8.247 -6.026 9.842 1138 HG12 VAL 69 HG12 VAL 69 -9.936 -5.558 10.037 1139 HG13 VAL 69 HG13 VAL 69 -8.732 -4.350 9.587 1140 HG21 VAL 69 HG21 VAL 69 -8.264 -5.531 6.130 1141 HG22 VAL 69 HG22 VAL 69 -7.234 -5.991 7.487 1142 HG23 VAL 69 HG23 VAL 69 -7.780 -4.321 7.320 1143 H LYS 70 HN LYS 70 -12.127 -6.530 7.583 1144 HA LYS 70 HA LYS 70 -12.993 -6.794 10.238 1145 HB2 LYS 70 HB2 LYS 70 -14.101 -5.505 8.370 1146 HB3 LYS 70 HB1 LYS 70 -14.709 -7.041 7.769 1147 HG2 LYS 70 HG2 LYS 70 -15.975 -7.378 9.796 1148 HG3 LYS 70 HG1 LYS 70 -15.294 -5.906 10.496 1149 HD2 LYS 70 HD2 LYS 70 -16.986 -6.035 7.999 1150 HD3 LYS 70 HD1 LYS 70 -17.558 -5.548 9.596 1151 HE2 LYS 70 HE2 LYS 70 -15.317 -4.167 8.125 1152 HE3 LYS 70 HE1 LYS 70 -17.000 -3.655 8.043 1153 HZ1 LYS 70 HZ1 LYS 70 -15.850 -2.362 9.682 1154 HZ2 LYS 70 HZ2 LYS 70 -15.301 -3.752 10.482 1155 HZ3 LYS 70 HZ3 LYS 70 -16.956 -3.375 10.467 1156 H THR 71 HN THR 71 -12.909 -9.081 7.558 1157 HA THR 71 HA THR 71 -14.393 -11.129 8.864 1158 HB THR 71 HB THR 71 -12.389 -11.387 6.606 1159 HG1 THR 71 HG1 THR 71 -13.983 -10.081 5.846 1160 HG21 THR 71 HG21 THR 71 -14.628 -13.226 7.466 1161 HG22 THR 71 HG22 THR 71 -12.904 -13.532 7.674 1162 HG23 THR 71 HG23 THR 71 -13.595 -13.446 6.054 1163 H ARG 72 HN ARG 72 -11.038 -10.141 8.927 1164 HA ARG 72 HA ARG 72 -10.087 -12.546 10.168 1165 HE ARG 72 HE ARG 72 -5.467 -10.857 12.235 1166 HB2 ARG 72 HB2 ARG 72 -8.522 -11.183 8.923 1167 HB3 ARG 72 HB1 ARG 72 -8.851 -9.795 9.950 1168 HG2 ARG 72 HG2 ARG 72 -7.779 -10.806 11.809 1169 HG3 ARG 72 HG1 ARG 72 -7.679 -12.361 10.981 1170 HD2 ARG 72 HD2 ARG 72 -6.059 -11.542 9.454 1171 HD3 ARG 72 HD1 ARG 72 -6.324 -9.875 9.965 1172 HH11 ARG 72 HH11 ARG 72 -4.299 -11.721 9.042 1173 HH12 ARG 72 HH12 ARG 72 -2.659 -11.923 9.571 1174 HH21 ARG 72 HH21 ARG 72 -3.315 -11.109 12.913 1175 HH22 ARG 72 HH22 ARG 72 -2.096 -11.577 11.770 1176 H LEU 73 HN LEU 73 -11.193 -9.384 11.313 1177 HA LEU 73 HA LEU 73 -10.819 -9.948 14.088 1178 HG LEU 73 HG LEU 73 -11.287 -6.304 14.005 1179 HB2 LEU 73 HB2 LEU 73 -12.379 -7.938 12.527 1180 HB3 LEU 73 HB1 LEU 73 -12.793 -8.180 14.212 1181 HD11 LEU 73 HD11 LEU 73 -9.503 -7.034 15.522 1182 HD12 LEU 73 HD12 LEU 73 -9.925 -8.715 15.195 1183 HD13 LEU 73 HD13 LEU 73 -11.081 -7.658 16.004 1184 HD21 LEU 73 HD21 LEU 73 -9.376 -8.237 12.698 1185 HD22 LEU 73 HD22 LEU 73 -8.990 -6.587 13.186 1186 HD23 LEU 73 HD23 LEU 73 -10.184 -6.875 11.920 1187 H GLU 74 HN GLU 74 -13.479 -10.285 11.826 1188 HA GLU 74 HA GLU 74 -15.131 -11.803 11.666 1189 HB2 GLU 74 HB2 GLU 74 -13.351 -13.404 12.349 1190 HB3 GLU 74 HB1 GLU 74 -13.834 -13.182 14.021 1191 HG2 GLU 74 HG2 GLU 74 -16.093 -14.023 13.415 1192 HG3 GLU 74 HG1 GLU 74 -15.472 -14.380 11.804 1193 H HIS 75 HN HIS 75 -14.929 -12.387 15.108 1194 HA HIS 75 HA HIS 75 -16.524 -12.312 16.704 1195 HD1 HIS 75 HD1 HIS 75 -17.870 -10.920 18.861 1196 HD2 HIS 75 HD2 HIS 75 -14.396 -9.052 17.536 1197 HE1 HIS 75 HE1 HIS 75 -16.556 -10.383 20.937 1198 HE2 HIS 75 HE2 HIS 75 -14.535 -9.118 20.124 1199 HB2 HIS 75 HB2 HIS 75 -16.300 -9.609 15.667 1200 HB3 HIS 75 HB1 HIS 75 -17.899 -9.925 16.337 1201 H HIS 76 HN HIS 76 -17.429 -14.017 15.149 1202 HA HIS 76 HA HIS 76 -19.800 -13.493 13.741 1203 HD1 HIS 76 HD1 HIS 76 -20.086 -17.961 15.435 1204 HD2 HIS 76 HD2 HIS 76 -16.734 -15.513 15.739 1205 HE1 HIS 76 HE1 HIS 76 -18.571 -19.084 17.087 1206 HE2 HIS 76 HE2 HIS 76 -16.439 -17.746 17.002 1207 HB2 HIS 76 HB2 HIS 76 -20.280 -15.947 14.007 1208 HB3 HIS 76 HB1 HIS 76 -18.709 -15.575 13.315 1209 H HIS 77 HN HIS 77 -21.422 -12.444 14.615 1210 HA HIS 77 HA HIS 77 -22.062 -12.684 17.416 1211 HD1 HIS 77 HD1 HIS 77 -21.872 -10.219 18.580 1212 HD2 HIS 77 HD2 HIS 77 -21.459 -9.281 14.547 1213 HE1 HIS 77 HE1 HIS 77 -20.179 -8.356 18.481 1214 HE2 HIS 77 HE2 HIS 77 -19.841 -7.900 16.025 1215 HB2 HIS 77 HB2 HIS 77 -23.363 -11.097 15.190 1216 HB3 HIS 77 HB1 HIS 77 -23.869 -11.034 16.875 1217 H HIS 78 HN HIS 78 -22.379 -15.094 16.779 1218 HA HIS 78 HA HIS 78 -25.266 -15.534 16.765 1219 HD1 HIS 78 HD1 HIS 78 -26.821 -17.423 14.194 1220 HD2 HIS 78 HD2 HIS 78 -24.241 -14.245 13.456 1221 HE1 HIS 78 HE1 HIS 78 -27.959 -16.015 12.447 1222 HE2 HIS 78 HE2 HIS 78 -26.452 -14.025 12.121 1223 HB2 HIS 78 HB2 HIS 78 -23.314 -16.683 14.802 1224 HB3 HIS 78 HB1 HIS 78 -24.640 -17.696 15.359 1225 H HIS 79 HN HIS 79 -25.815 -17.677 17.660 1226 HA HIS 79 HA HIS 79 -23.992 -18.347 19.802 1227 HD1 HIS 79 HD1 HIS 79 -27.966 -20.988 20.545 1228 HD2 HIS 79 HD2 HIS 79 -26.839 -19.191 16.967 1229 HE1 HIS 79 HE1 HIS 79 -29.557 -21.868 18.810 1230 HE2 HIS 79 HE2 HIS 79 -29.013 -20.567 16.721 1231 HB2 HIS 79 HB2 HIS 79 -25.738 -19.770 20.675 1232 HB3 HIS 79 HB1 HIS 79 -26.429 -18.224 20.217 1233 H HIS 80 HN HIS 80 -23.506 -18.977 16.884 1234 HA HIS 80 HA HIS 80 -22.622 -21.733 17.365 1235 HD1 HIS 80 HD1 HIS 80 -24.320 -23.979 15.088 1236 HD2 HIS 80 HD2 HIS 80 -20.729 -22.108 14.129 1237 HE1 HIS 80 HE1 HIS 80 -22.880 -25.762 14.049 1238 HE2 HIS 80 HE2 HIS 80 -20.644 -24.657 13.688 1239 HB2 HIS 80 HB2 HIS 80 -24.395 -21.560 15.563 1240 HB3 HIS 80 HB1 HIS 80 -23.260 -20.578 14.640 Start of MODEL 3 1 HA MET 1 HA MET 1 15.383 -0.839 23.193 2 H1 MET 1 HT1 MET 1 13.656 0.818 21.452 3 H2 MET 1 HT2 MET 1 13.610 0.779 23.148 4 H3 MET 1 HT3 MET 1 13.205 -0.605 22.261 5 HB2 MET 1 HB2 MET 1 15.294 -0.430 20.206 6 HB3 MET 1 HB1 MET 1 16.694 -1.098 21.032 7 HG2 MET 1 HG2 MET 1 15.263 -2.917 21.898 8 HG3 MET 1 HG1 MET 1 13.925 -2.272 20.945 9 HE1 MET 1 HE1 MET 1 14.942 -5.542 19.010 10 HE2 MET 1 HE2 MET 1 13.631 -4.676 19.813 11 HE3 MET 1 HE3 MET 1 14.985 -5.295 20.756 12 H ALA 2 HN ALA 2 15.768 1.577 20.596 13 HA ALA 2 HA ALA 2 17.103 3.425 22.344 14 HB1 ALA 2 HB1 ALA 2 18.731 1.981 20.252 15 HB2 ALA 2 HB2 ALA 2 18.908 1.817 21.998 16 HB3 ALA 2 HB3 ALA 2 19.273 3.354 21.217 17 H GLN 3 HN GLN 3 17.536 5.440 21.309 18 HA GLN 3 HA GLN 3 15.791 5.920 19.062 19 HB2 GLN 3 HB2 GLN 3 16.151 7.496 21.048 20 HB3 GLN 3 HB1 GLN 3 17.691 7.906 20.305 21 HG2 GLN 3 HG2 GLN 3 16.437 8.562 18.252 22 HG3 GLN 3 HG1 GLN 3 14.943 8.332 19.159 23 HE21 GLN 3 HE21 GLN 3 17.939 9.650 20.447 24 HE22 GLN 3 HE22 GLN 3 17.333 11.254 20.705 25 H HIS 4 HN HIS 4 16.555 5.107 17.210 26 HA HIS 4 HA HIS 4 19.324 5.795 16.448 27 HD1 HIS 4 HD1 HIS 4 21.087 2.782 16.687 28 HD2 HIS 4 HD2 HIS 4 19.554 4.110 13.050 29 HE1 HIS 4 HE1 HIS 4 22.921 2.428 15.003 30 HE2 HIS 4 HE2 HIS 4 22.048 3.431 12.862 31 HB2 HIS 4 HB2 HIS 4 18.655 3.318 16.821 32 HB3 HIS 4 HB1 HIS 4 17.784 3.473 15.300 33 H SER 5 HN SER 5 16.006 6.070 15.711 34 HA SER 5 HA SER 5 16.674 7.339 13.138 35 HG SER 5 HG SER 5 16.650 5.056 12.717 36 HB2 SER 5 HB2 SER 5 14.201 5.696 13.740 37 HB3 SER 5 HB1 SER 5 14.549 6.515 12.219 38 H LYS 6 HN LYS 6 16.318 9.445 13.315 39 HA LYS 6 HA LYS 6 14.237 10.396 15.152 40 HB2 LYS 6 HB2 LYS 6 16.679 11.252 15.173 41 HB3 LYS 6 HB1 LYS 6 16.233 12.146 13.725 42 HG2 LYS 6 HG2 LYS 6 16.067 13.512 15.753 43 HG3 LYS 6 HG1 LYS 6 14.505 13.325 14.948 44 HD2 LYS 6 HD2 LYS 6 13.941 11.518 16.520 45 HD3 LYS 6 HD1 LYS 6 15.477 11.773 17.344 46 HE2 LYS 6 HE2 LYS 6 14.801 14.030 17.941 47 HE3 LYS 6 HE1 LYS 6 13.285 13.825 17.062 48 HZ1 LYS 6 HZ1 LYS 6 14.133 12.209 19.406 49 HZ2 LYS 6 HZ2 LYS 6 12.653 12.080 18.587 50 HZ3 LYS 6 HZ3 LYS 6 13.019 13.487 19.461 51 H TYR 7 HN TYR 7 14.209 9.368 12.201 52 HA TYR 7 HA TYR 7 12.924 9.630 10.366 53 HD1 TYR 7 HD2 TYR 7 12.007 8.025 11.215 54 HD2 TYR 7 HD1 TYR 7 9.507 10.690 13.392 55 HE1 TYR 7 HE2 TYR 7 11.076 6.125 12.464 56 HE2 TYR 7 HE1 TYR 7 8.576 8.796 14.652 57 HH TYR 7 HH TYR 7 8.293 6.256 14.245 58 HB2 TYR 7 HB2 TYR 7 11.320 11.539 12.080 59 HB3 TYR 7 HB1 TYR 7 10.790 10.815 10.567 60 H SER 8 HN SER 8 14.921 10.715 9.586 61 HA SER 8 HA SER 8 14.722 13.549 9.128 62 HG SER 8 HG SER 8 17.756 13.055 9.819 63 HB2 SER 8 HB2 SER 8 16.641 11.561 7.916 64 HB3 SER 8 HB1 SER 8 16.823 13.314 7.966 65 H ASP 9 HN ASP 9 13.960 14.536 7.328 66 HA ASP 9 HA ASP 9 12.382 13.127 5.467 67 HB2 ASP 9 HB2 ASP 9 12.056 15.167 4.361 68 HB3 ASP 9 HB1 ASP 9 12.404 15.675 6.008 69 H ALA 10 HN ALA 10 15.748 13.774 5.702 70 HA ALA 10 HA ALA 10 16.397 13.146 2.977 71 HB1 ALA 10 HB1 ALA 10 18.185 13.164 5.409 72 HB2 ALA 10 HB2 ALA 10 17.865 14.549 4.365 73 HB3 ALA 10 HB3 ALA 10 18.709 13.140 3.725 74 H GLN 11 HN GLN 11 16.228 11.426 6.056 75 HA GLN 11 HA GLN 11 17.261 8.963 5.057 76 HB2 GLN 11 HB2 GLN 11 15.505 9.595 7.431 77 HB3 GLN 11 HB1 GLN 11 16.047 7.965 7.054 78 HG2 GLN 11 HG2 GLN 11 17.853 10.309 7.608 79 HG3 GLN 11 HG1 GLN 11 17.418 9.056 8.770 80 HE21 GLN 11 HE21 GLN 11 18.259 6.981 8.517 81 HE22 GLN 11 HE22 GLN 11 19.624 6.660 7.510 82 H LEU 12 HN LEU 12 14.017 10.306 5.408 83 HA LEU 12 HA LEU 12 12.538 8.135 4.478 84 HG LEU 12 HG LEU 12 10.617 9.553 2.607 85 HB2 LEU 12 HB2 LEU 12 11.482 10.125 5.439 86 HB3 LEU 12 HB1 LEU 12 12.005 11.080 4.063 87 HD11 LEU 12 HD11 LEU 12 8.857 8.271 3.679 88 HD12 LEU 12 HD12 LEU 12 9.500 8.692 5.266 89 HD13 LEU 12 HD13 LEU 12 10.451 7.692 4.166 90 HD21 LEU 12 HD21 LEU 12 9.867 11.794 3.219 91 HD22 LEU 12 HD22 LEU 12 9.153 11.154 4.701 92 HD23 LEU 12 HD23 LEU 12 8.512 10.665 3.130 93 H SER 13 HN SER 13 13.863 10.883 2.664 94 HA SER 13 HA SER 13 12.875 10.286 0.164 95 HG SER 13 HG SER 13 13.809 12.667 1.757 96 HB2 SER 13 HB2 SER 13 15.550 11.538 0.829 97 HB3 SER 13 HB1 SER 13 14.734 11.637 -0.731 98 H ALA 14 HN ALA 14 15.951 9.184 1.583 99 HA ALA 14 HA ALA 14 16.818 7.761 -0.689 100 HB1 ALA 14 HB1 ALA 14 17.495 7.230 2.202 101 HB2 ALA 14 HB2 ALA 14 18.308 8.393 1.155 102 HB3 ALA 14 HB3 ALA 14 18.399 6.669 0.796 103 H ILE 15 HN ILE 15 14.794 6.812 2.047 104 HA ILE 15 HA ILE 15 14.726 4.046 1.420 105 HB ILE 15 HB ILE 15 12.783 5.725 3.010 106 HG12 ILE 15 HG12 ILE 15 14.988 3.836 3.869 107 HG13 ILE 15 HG11 ILE 15 15.062 5.594 3.938 108 HG21 ILE 15 HG21 ILE 15 11.908 3.618 3.892 109 HG22 ILE 15 HG22 ILE 15 12.979 2.716 2.818 110 HG23 ILE 15 HG23 ILE 15 11.686 3.712 2.145 111 HD11 ILE 15 HD11 ILE 15 13.243 5.609 5.559 112 HD12 ILE 15 HD12 ILE 15 14.601 4.630 6.120 113 HD13 ILE 15 HD13 ILE 15 13.155 3.848 5.479 114 H VAL 16 HN VAL 16 12.540 6.754 0.647 115 HA VAL 16 HA VAL 16 10.645 5.160 -0.733 116 HB VAL 16 HB VAL 16 11.065 8.016 -1.530 117 HG11 VAL 16 HG11 VAL 16 8.582 6.410 -0.944 118 HG12 VAL 16 HG12 VAL 16 9.283 6.652 -2.549 119 HG13 VAL 16 HG13 VAL 16 8.648 8.027 -1.644 120 HG21 VAL 16 HG21 VAL 16 9.816 7.159 1.078 121 HG22 VAL 16 HG22 VAL 16 9.815 8.794 0.416 122 HG23 VAL 16 HG23 VAL 16 11.332 8.039 0.901 123 H ASN 17 HN ASN 17 13.529 6.931 -1.767 124 HA ASN 17 HA ASN 17 13.286 6.468 -4.534 125 HB2 ASN 17 HB2 ASN 17 15.685 6.939 -2.773 126 HB3 ASN 17 HB1 ASN 17 15.847 6.671 -4.502 127 HD21 ASN 17 HD21 ASN 17 13.308 8.062 -5.058 128 HD22 ASN 17 HD22 ASN 17 13.664 9.747 -4.895 129 H ASP 18 HN ASP 18 14.684 4.537 -1.943 130 HA ASP 18 HA ASP 18 15.790 2.509 -3.529 131 HB2 ASP 18 HB2 ASP 18 16.337 2.816 -1.138 132 HB3 ASP 18 HB1 ASP 18 14.696 2.351 -0.707 133 H MET 19 HN MET 19 12.655 2.788 -1.870 134 HA MET 19 HA MET 19 11.505 0.392 -2.628 135 HB2 MET 19 HB2 MET 19 10.133 3.077 -2.409 136 HB3 MET 19 HB1 MET 19 9.318 1.523 -2.410 137 HG2 MET 19 HG2 MET 19 11.319 2.378 -0.335 138 HG3 MET 19 HG1 MET 19 9.579 2.577 -0.173 139 HE1 MET 19 HE1 MET 19 12.004 -0.351 -1.383 140 HE2 MET 19 HE2 MET 19 11.910 -1.388 0.041 141 HE3 MET 19 HE3 MET 19 12.609 0.224 0.171 142 H ILE 20 HN ILE 20 11.522 3.453 -4.422 143 HA ILE 20 HA ILE 20 10.006 2.582 -6.622 144 HB ILE 20 HB ILE 20 12.152 4.712 -6.532 145 HG12 ILE 20 HG12 ILE 20 9.143 4.941 -6.290 146 HG13 ILE 20 HG11 ILE 20 10.275 5.048 -4.946 147 HG21 ILE 20 HG21 ILE 20 9.970 4.251 -8.566 148 HG22 ILE 20 HG22 ILE 20 11.697 4.006 -8.821 149 HG23 ILE 20 HG23 ILE 20 11.071 5.629 -8.530 150 HD11 ILE 20 HD11 ILE 20 9.518 7.245 -5.668 151 HD12 ILE 20 HD12 ILE 20 10.141 6.935 -7.289 152 HD13 ILE 20 HD13 ILE 20 11.252 7.053 -5.924 153 H ALA 21 HN ALA 21 13.516 2.586 -6.050 154 HA ALA 21 HA ALA 21 14.230 1.608 -8.617 155 HB1 ALA 21 HB1 ALA 21 16.431 1.195 -7.635 156 HB2 ALA 21 HB2 ALA 21 15.767 1.468 -6.024 157 HB3 ALA 21 HB3 ALA 21 15.819 2.789 -7.193 158 H VAL 22 HN VAL 22 13.626 0.036 -5.509 159 HA VAL 22 HA VAL 22 14.325 -2.580 -6.194 160 HB VAL 22 HB VAL 22 12.088 -1.719 -4.345 161 HG11 VAL 22 HG11 VAL 22 13.622 -4.309 -4.506 162 HG12 VAL 22 HG12 VAL 22 11.925 -4.066 -4.910 163 HG13 VAL 22 HG13 VAL 22 12.467 -3.887 -3.243 164 HG21 VAL 22 HG21 VAL 22 14.119 -0.659 -3.627 165 HG22 VAL 22 HG22 VAL 22 15.024 -2.165 -3.816 166 HG23 VAL 22 HG23 VAL 22 13.802 -2.026 -2.552 167 H LEU 23 HN LEU 23 11.184 -0.928 -6.437 168 HA LEU 23 HA LEU 23 9.799 -3.066 -7.657 169 HG LEU 23 HG LEU 23 7.992 -1.363 -9.542 170 HB2 LEU 23 HB2 LEU 23 8.673 -1.155 -6.606 171 HB3 LEU 23 HB1 LEU 23 9.304 -0.091 -7.849 172 HD11 LEU 23 HD11 LEU 23 7.838 -3.482 -8.340 173 HD12 LEU 23 HD12 LEU 23 6.243 -2.880 -8.788 174 HD13 LEU 23 HD13 LEU 23 6.809 -2.720 -7.128 175 HD21 LEU 23 HD21 LEU 23 6.387 -0.229 -7.257 176 HD22 LEU 23 HD22 LEU 23 5.831 -0.429 -8.920 177 HD23 LEU 23 HD23 LEU 23 7.134 0.703 -8.554 178 H GLU 24 HN GLU 24 11.538 -0.289 -8.972 179 HA GLU 24 HA GLU 24 10.969 -0.531 -11.668 180 HB2 GLU 24 HB2 GLU 24 12.146 1.370 -10.735 181 HB3 GLU 24 HB1 GLU 24 13.515 0.355 -10.309 182 HG2 GLU 24 HG2 GLU 24 13.454 -0.124 -12.926 183 HG3 GLU 24 HG1 GLU 24 12.723 1.482 -12.920 184 H LYS 25 HN LYS 25 13.650 -2.033 -9.863 185 HA LYS 25 HA LYS 25 14.671 -3.225 -12.285 186 HB2 LYS 25 HB2 LYS 25 15.635 -3.548 -9.439 187 HB3 LYS 25 HB1 LYS 25 16.512 -4.008 -10.898 188 HG2 LYS 25 HG2 LYS 25 16.475 -1.634 -11.607 189 HG3 LYS 25 HG1 LYS 25 15.731 -1.227 -10.061 190 HD2 LYS 25 HD2 LYS 25 17.727 -2.253 -8.942 191 HD3 LYS 25 HD1 LYS 25 18.472 -2.376 -10.539 192 HE2 LYS 25 HE2 LYS 25 17.589 0.136 -9.127 193 HE3 LYS 25 HE1 LYS 25 19.244 -0.365 -9.466 194 HZ1 LYS 25 HZ1 LYS 25 17.181 0.427 -11.460 195 HZ2 LYS 25 HZ2 LYS 25 18.705 -0.197 -11.860 196 HZ3 LYS 25 HZ3 LYS 25 18.585 1.283 -11.044 197 H HIS 26 HN HIS 26 12.381 -4.146 -9.997 198 HA HIS 26 HA HIS 26 12.669 -6.986 -10.659 199 HD1 HIS 26 HD1 HIS 26 13.014 -5.156 -7.323 200 HD2 HIS 26 HD2 HIS 26 11.864 -9.090 -8.011 201 HE1 HIS 26 HE1 HIS 26 14.247 -6.529 -5.614 202 HE2 HIS 26 HE2 HIS 26 13.298 -8.851 -5.868 203 HB2 HIS 26 HB2 HIS 26 10.857 -5.454 -8.802 204 HB3 HIS 26 HB1 HIS 26 10.453 -7.094 -9.288 205 H LYS 27 HN LYS 27 10.901 -4.152 -11.419 206 HA LYS 27 HA LYS 27 9.349 -3.567 -12.921 207 HB2 LYS 27 HB2 LYS 27 11.192 -4.473 -14.413 208 HB3 LYS 27 HB1 LYS 27 10.219 -5.933 -14.566 209 HG2 LYS 27 HG2 LYS 27 8.374 -4.608 -15.473 210 HG3 LYS 27 HG1 LYS 27 9.359 -3.150 -15.334 211 HD2 LYS 27 HD2 LYS 27 11.034 -4.256 -16.843 212 HD3 LYS 27 HD1 LYS 27 9.851 -5.541 -17.100 213 HE2 LYS 27 HE2 LYS 27 9.474 -2.616 -17.736 214 HE3 LYS 27 HE1 LYS 27 9.763 -3.905 -18.902 215 HZ1 LYS 27 HZ1 LYS 27 7.661 -4.926 -18.184 216 HZ2 LYS 27 HZ2 LYS 27 7.443 -3.379 -18.838 217 HZ3 LYS 27 HZ3 LYS 27 7.374 -3.602 -17.161 218 H ALA 28 HN ALA 28 7.625 -4.030 -11.548 219 HA ALA 28 HA ALA 28 6.065 -6.393 -12.344 220 HB1 ALA 28 HB1 ALA 28 5.747 -4.639 -9.904 221 HB2 ALA 28 HB2 ALA 28 6.492 -6.238 -9.933 222 HB3 ALA 28 HB3 ALA 28 4.774 -6.056 -10.293 223 HA PRO 29 HA PRO 29 3.585 -3.526 -14.664 224 HB2 PRO 29 HB2 PRO 29 1.410 -5.147 -15.029 225 HB3 PRO 29 HB1 PRO 29 2.887 -5.255 -15.993 226 HG2 PRO 29 HG2 PRO 29 2.004 -6.924 -13.679 227 HG3 PRO 29 HG1 PRO 29 2.834 -7.414 -15.166 228 HD2 PRO 29 HD2 PRO 29 4.118 -7.119 -12.801 229 HD3 PRO 29 HD1 PRO 29 4.902 -6.807 -14.362 230 H VAL 30 HN VAL 30 1.531 -2.432 -14.492 231 HA VAL 30 HA VAL 30 1.076 -1.411 -11.976 232 HB VAL 30 HB VAL 30 -0.900 -1.480 -14.260 233 HG11 VAL 30 HG11 VAL 30 -1.948 -0.766 -12.200 234 HG12 VAL 30 HG12 VAL 30 -1.749 0.609 -13.287 235 HG13 VAL 30 HG13 VAL 30 -0.655 0.400 -11.920 236 HG21 VAL 30 HG21 VAL 30 1.265 -0.621 -14.973 237 HG22 VAL 30 HG22 VAL 30 1.268 0.516 -13.625 238 HG23 VAL 30 HG23 VAL 30 0.067 0.671 -14.907 239 H ASP 31 HN ASP 31 -0.378 -4.218 -13.457 240 HA ASP 31 HA ASP 31 -2.629 -4.412 -11.725 241 HB2 ASP 31 HB2 ASP 31 -1.236 -6.635 -13.236 242 HB3 ASP 31 HB1 ASP 31 -2.865 -6.684 -12.575 243 H LEU 32 HN LEU 32 0.479 -6.115 -11.823 244 HA LEU 32 HA LEU 32 -0.079 -7.652 -9.496 245 HG LEU 32 HG LEU 32 0.789 -8.443 -12.298 246 HB2 LEU 32 HB2 LEU 32 2.489 -7.188 -11.006 247 HB3 LEU 32 HB1 LEU 32 2.311 -8.336 -9.692 248 HD11 LEU 32 HD11 LEU 32 3.111 -10.090 -11.312 249 HD12 LEU 32 HD12 LEU 32 3.144 -8.921 -12.633 250 HD13 LEU 32 HD13 LEU 32 2.186 -10.394 -12.781 251 HD21 LEU 32 HD21 LEU 32 0.066 -10.640 -11.536 252 HD22 LEU 32 HD22 LEU 32 -0.445 -9.390 -10.404 253 HD23 LEU 32 HD23 LEU 32 0.936 -10.415 -10.019 254 H SER 33 HN SER 33 1.591 -4.619 -10.093 255 HA SER 33 HA SER 33 2.922 -4.456 -7.611 256 HG SER 33 HG SER 33 1.230 -1.510 -9.297 257 HB2 SER 33 HB2 SER 33 2.943 -1.969 -8.082 258 HB3 SER 33 HB1 SER 33 3.610 -2.977 -9.364 259 H LEU 34 HN LEU 34 -0.300 -3.430 -8.659 260 HA LEU 34 HA LEU 34 -1.014 -2.157 -6.235 261 HG LEU 34 HG LEU 34 -1.492 -1.415 -9.183 262 HB2 LEU 34 HB2 LEU 34 -2.727 -3.386 -8.394 263 HB3 LEU 34 HB1 LEU 34 -3.362 -2.454 -7.052 264 HD11 LEU 34 HD11 LEU 34 -3.737 -1.830 -10.027 265 HD12 LEU 34 HD12 LEU 34 -3.428 -0.098 -9.901 266 HD13 LEU 34 HD13 LEU 34 -4.423 -0.908 -8.691 267 HD21 LEU 34 HD21 LEU 34 -1.885 0.774 -8.171 268 HD22 LEU 34 HD22 LEU 34 -1.131 -0.327 -7.019 269 HD23 LEU 34 HD23 LEU 34 -2.856 0.021 -6.907 270 H ILE 35 HN ILE 35 -1.350 -5.478 -7.400 271 HA ILE 35 HA ILE 35 -2.938 -6.343 -5.200 272 HB ILE 35 HB ILE 35 -1.198 -8.085 -6.951 273 HG12 ILE 35 HG12 ILE 35 -4.095 -7.281 -7.353 274 HG13 ILE 35 HG11 ILE 35 -2.739 -6.645 -8.279 275 HG21 ILE 35 HG21 ILE 35 -3.670 -8.683 -5.320 276 HG22 ILE 35 HG22 ILE 35 -2.021 -9.175 -4.930 277 HG23 ILE 35 HG23 ILE 35 -2.822 -9.831 -6.359 278 HD11 ILE 35 HD11 ILE 35 -3.938 -8.373 -9.499 279 HD12 ILE 35 HD12 ILE 35 -3.613 -9.522 -8.200 280 HD13 ILE 35 HD13 ILE 35 -2.280 -8.865 -9.149 281 H ALA 36 HN ALA 36 0.544 -6.381 -5.862 282 HA ALA 36 HA ALA 36 1.369 -7.781 -3.585 283 HB1 ALA 36 HB1 ALA 36 3.545 -6.672 -3.926 284 HB2 ALA 36 HB2 ALA 36 2.795 -5.600 -5.109 285 HB3 ALA 36 HB3 ALA 36 2.889 -7.335 -5.422 286 H LEU 37 HN LEU 37 1.056 -4.278 -4.139 287 HA LEU 37 HA LEU 37 1.590 -3.427 -1.527 288 HG LEU 37 HG LEU 37 1.563 -0.363 -3.555 289 HB2 LEU 37 HB2 LEU 37 0.163 -2.295 -3.870 290 HB3 LEU 37 HB1 LEU 37 -0.169 -1.560 -2.315 291 HD11 LEU 37 HD11 LEU 37 1.597 -0.270 -1.136 292 HD12 LEU 37 HD12 LEU 37 3.245 -0.270 -1.763 293 HD13 LEU 37 HD13 LEU 37 2.564 -1.743 -1.070 294 HD21 LEU 37 HD21 LEU 37 3.764 -1.346 -3.910 295 HD22 LEU 37 HD22 LEU 37 2.525 -2.248 -4.783 296 HD23 LEU 37 HD23 LEU 37 3.187 -2.886 -3.279 297 H GLY 38 HN GLY 38 -1.441 -4.348 -3.086 298 HA2 GLY 38 HA2 GLY 38 -3.223 -3.889 -1.017 299 HA3 GLY 38 HA1 GLY 38 -3.397 -5.168 -2.207 300 H ASN 39 HN ASN 39 -1.555 -6.997 -1.672 301 HA ASN 39 HA ASN 39 -2.511 -8.269 0.646 302 HB2 ASN 39 HB2 ASN 39 -1.450 -9.398 -1.336 303 HB3 ASN 39 HB1 ASN 39 0.114 -8.846 -0.746 304 HD21 ASN 39 HD21 ASN 39 0.904 -10.904 -0.429 305 HD22 ASN 39 HD22 ASN 39 0.336 -11.943 0.834 306 H MET 40 HN MET 40 0.432 -6.391 0.072 307 HA MET 40 HA MET 40 1.639 -6.925 2.574 308 HB2 MET 40 HB2 MET 40 2.888 -6.097 0.618 309 HB3 MET 40 HB1 MET 40 2.050 -4.558 0.738 310 HG2 MET 40 HG2 MET 40 4.297 -4.442 1.667 311 HG3 MET 40 HG1 MET 40 3.069 -4.137 2.894 312 HE1 MET 40 HE1 MET 40 6.215 -4.914 3.354 313 HE2 MET 40 HE2 MET 40 6.052 -5.957 4.767 314 HE3 MET 40 HE3 MET 40 5.108 -4.470 4.654 315 H ALA 41 HN ALA 41 -0.366 -4.215 1.448 316 HA ALA 41 HA ALA 41 -0.252 -2.661 3.771 317 HB1 ALA 41 HB1 ALA 41 -1.154 -1.823 1.660 318 HB2 ALA 41 HB2 ALA 41 -2.308 -1.604 2.976 319 HB3 ALA 41 HB3 ALA 41 -2.535 -2.908 1.812 320 H SER 42 HN SER 42 -2.416 -5.296 2.859 321 HA SER 42 HA SER 42 -4.105 -5.239 5.091 322 HG SER 42 HG SER 42 -4.062 -6.155 2.126 323 HB2 SER 42 HB2 SER 42 -3.176 -7.675 3.547 324 HB3 SER 42 HB1 SER 42 -4.633 -7.556 4.534 325 H ASN 43 HN ASN 43 -1.092 -7.003 4.503 326 HA ASN 43 HA ASN 43 -0.891 -8.362 6.930 327 HB2 ASN 43 HB2 ASN 43 0.516 -8.839 4.968 328 HB3 ASN 43 HB1 ASN 43 1.339 -7.297 5.179 329 HD21 ASN 43 HD21 ASN 43 3.347 -8.225 5.459 330 HD22 ASN 43 HD22 ASN 43 3.774 -9.118 6.878 331 H LEU 44 HN LEU 44 0.248 -5.143 6.008 332 HA LEU 44 HA LEU 44 1.598 -4.560 8.416 333 HG LEU 44 HG LEU 44 2.152 -3.990 5.381 334 HB2 LEU 44 HB2 LEU 44 0.350 -2.713 6.385 335 HB3 LEU 44 HB1 LEU 44 1.407 -2.192 7.684 336 HD11 LEU 44 HD11 LEU 44 3.004 -1.194 6.117 337 HD12 LEU 44 HD12 LEU 44 1.950 -1.644 4.776 338 HD13 LEU 44 HD13 LEU 44 3.641 -2.146 4.776 339 HD21 LEU 44 HD21 LEU 44 3.842 -3.015 7.685 340 HD22 LEU 44 HD22 LEU 44 4.404 -3.965 6.306 341 HD23 LEU 44 HD23 LEU 44 3.265 -4.667 7.460 342 H LEU 45 HN LEU 45 -1.678 -3.711 7.309 343 HA LEU 45 HA LEU 45 -2.386 -2.233 9.589 344 HG LEU 45 HG LEU 45 -2.854 -1.909 6.589 345 HB2 LEU 45 HB2 LEU 45 -4.122 -3.759 7.655 346 HB3 LEU 45 HB1 LEU 45 -4.728 -2.626 8.847 347 HD11 LEU 45 HD11 LEU 45 -5.085 -2.556 5.794 348 HD12 LEU 45 HD12 LEU 45 -4.777 -0.833 5.571 349 HD13 LEU 45 HD13 LEU 45 -5.805 -1.381 6.894 350 HD21 LEU 45 HD21 LEU 45 -4.343 -0.193 8.574 351 HD22 LEU 45 HD22 LEU 45 -3.377 0.398 7.221 352 HD23 LEU 45 HD23 LEU 45 -2.602 -0.473 8.546 353 H THR 46 HN THR 46 -2.150 -5.631 9.083 354 HA THR 46 HA THR 46 -3.732 -6.130 11.503 355 HB THR 46 HB THR 46 -3.373 -8.585 10.813 356 HG1 THR 46 HG1 THR 46 -2.852 -7.355 8.292 357 HG21 THR 46 HG21 THR 46 -5.222 -8.481 9.195 358 HG22 THR 46 HG22 THR 46 -5.003 -6.735 9.071 359 HG23 THR 46 HG23 THR 46 -5.516 -7.455 10.598 360 H THR 47 HN THR 47 -0.792 -5.151 11.167 361 HA THR 47 HA THR 47 0.282 -6.999 13.179 362 HB THR 47 HB THR 47 1.848 -5.991 10.798 363 HG1 THR 47 HG1 THR 47 0.720 -7.655 10.006 364 HG21 THR 47 HG21 THR 47 3.633 -7.450 11.629 365 HG22 THR 47 HG22 THR 47 2.648 -7.858 13.032 366 HG23 THR 47 HG23 THR 47 3.226 -6.207 12.811 367 H SER 48 HN SER 48 0.706 -3.813 11.589 368 HA SER 48 HA SER 48 2.560 -3.106 13.736 369 HG SER 48 HG SER 48 1.966 -0.935 10.423 370 HB2 SER 48 HB2 SER 48 3.030 -1.117 12.229 371 HB3 SER 48 HB1 SER 48 3.454 -2.704 11.584 372 H VAL 49 HN VAL 49 -0.498 -1.968 12.363 373 HA VAL 49 HA VAL 49 -0.482 0.388 14.025 374 HB VAL 49 HB VAL 49 -2.659 0.910 13.075 375 HG11 VAL 49 HG11 VAL 49 -0.717 -0.086 10.991 376 HG12 VAL 49 HG12 VAL 49 -0.684 1.489 11.783 377 HG13 VAL 49 HG13 VAL 49 -2.022 1.069 10.715 378 HG21 VAL 49 HG21 VAL 49 -2.499 -1.803 11.771 379 HG22 VAL 49 HG22 VAL 49 -3.705 -0.569 11.409 380 HG23 VAL 49 HG23 VAL 49 -3.645 -1.300 13.013 381 HA PRO 50 HA PRO 50 -2.450 -0.927 17.744 382 HB2 PRO 50 HB2 PRO 50 -4.560 0.950 17.739 383 HB3 PRO 50 HB1 PRO 50 -2.986 1.137 18.515 384 HG2 PRO 50 HG2 PRO 50 -3.942 2.153 15.890 385 HG3 PRO 50 HG1 PRO 50 -2.800 2.882 17.034 386 HD2 PRO 50 HD2 PRO 50 -1.946 1.741 14.773 387 HD3 PRO 50 HD1 PRO 50 -1.026 1.581 16.284 388 H GLN 51 HN GLN 51 -3.813 -2.563 18.099 389 HA GLN 51 HA GLN 51 -5.284 -3.630 15.949 390 HB2 GLN 51 HB2 GLN 51 -5.281 -4.405 18.865 391 HB3 GLN 51 HB1 GLN 51 -5.991 -5.362 17.573 392 HG2 GLN 51 HG2 GLN 51 -3.080 -4.630 17.820 393 HG3 GLN 51 HG1 GLN 51 -3.791 -6.195 18.205 394 HE21 GLN 51 HE21 GLN 51 -2.866 -4.006 15.657 395 HE22 GLN 51 HE22 GLN 51 -3.000 -5.149 14.367 396 H THR 52 HN THR 52 -6.279 -1.693 18.705 397 HA THR 52 HA THR 52 -9.084 -2.135 18.309 398 HB THR 52 HB THR 52 -7.793 0.197 19.735 399 HG1 THR 52 HG1 THR 52 -7.917 -1.150 21.599 400 HG21 THR 52 HG21 THR 52 -10.215 0.397 19.327 401 HG22 THR 52 HG22 THR 52 -9.853 0.220 21.044 402 HG23 THR 52 HG23 THR 52 -10.470 -1.155 20.127 403 H GLN 53 HN GLN 53 -6.715 -0.222 16.785 404 HA GLN 53 HA GLN 53 -8.742 1.585 15.638 405 HB2 GLN 53 HB2 GLN 53 -5.758 2.067 15.693 406 HB3 GLN 53 HB1 GLN 53 -7.029 3.225 15.331 407 HG2 GLN 53 HG2 GLN 53 -6.558 1.965 18.024 408 HG3 GLN 53 HG1 GLN 53 -6.001 3.564 17.538 409 HE21 GLN 53 HE21 GLN 53 -8.447 4.128 16.025 410 HE22 GLN 53 HE22 GLN 53 -9.657 4.474 17.215 411 H CYS 54 HN CYS 54 -7.620 -1.188 14.975 412 HA CYS 54 HA CYS 54 -5.912 -1.146 12.800 413 HG CYS 54 HG CYS 54 -5.199 -3.678 11.668 414 HB2 CYS 54 HB2 CYS 54 -6.474 -3.154 14.098 415 HB3 CYS 54 HB1 CYS 54 -8.097 -3.139 13.418 416 H GLU 55 HN GLU 55 -9.481 -1.317 12.755 417 HA GLU 55 HA GLU 55 -9.456 -1.098 9.869 418 HB2 GLU 55 HB2 GLU 55 -11.785 -1.167 11.794 419 HB3 GLU 55 HB1 GLU 55 -11.919 -1.207 10.040 420 HG2 GLU 55 HG2 GLU 55 -10.406 -3.292 10.206 421 HG3 GLU 55 HG1 GLU 55 -10.887 -3.302 11.903 422 H ALA 56 HN ALA 56 -9.923 0.955 12.621 423 HA ALA 56 HA ALA 56 -11.142 3.150 11.355 424 HB1 ALA 56 HB1 ALA 56 -10.308 4.480 13.215 425 HB2 ALA 56 HB2 ALA 56 -9.202 3.181 13.667 426 HB3 ALA 56 HB3 ALA 56 -10.945 2.940 13.791 427 H LEU 57 HN LEU 57 -7.713 2.365 11.866 428 HA LEU 57 HA LEU 57 -6.780 4.615 10.368 429 HG LEU 57 HG LEU 57 -4.670 5.112 11.651 430 HB2 LEU 57 HB2 LEU 57 -5.538 2.214 11.607 431 HB3 LEU 57 HB1 LEU 57 -4.636 3.039 10.353 432 HD11 LEU 57 HD11 LEU 57 -6.153 3.496 13.723 433 HD12 LEU 57 HD12 LEU 57 -6.797 4.850 12.792 434 HD13 LEU 57 HD13 LEU 57 -5.502 5.118 13.959 435 HD21 LEU 57 HD21 LEU 57 -3.197 4.409 13.454 436 HD22 LEU 57 HD22 LEU 57 -2.846 3.513 11.974 437 HD23 LEU 57 HD23 LEU 57 -3.754 2.744 13.275 438 H ALA 58 HN ALA 58 -7.619 1.309 9.622 439 HA ALA 58 HA ALA 58 -6.478 1.129 7.062 440 HB1 ALA 58 HB1 ALA 58 -8.091 -0.650 6.650 441 HB2 ALA 58 HB2 ALA 58 -9.021 -0.151 8.061 442 HB3 ALA 58 HB3 ALA 58 -7.396 -0.802 8.263 443 H GLN 59 HN GLN 59 -9.739 2.142 8.072 444 HA GLN 59 HA GLN 59 -10.542 2.919 5.460 445 HB2 GLN 59 HB2 GLN 59 -11.643 3.633 8.178 446 HB3 GLN 59 HB1 GLN 59 -12.397 4.114 6.663 447 HG2 GLN 59 HG2 GLN 59 -12.610 1.725 6.060 448 HG3 GLN 59 HG1 GLN 59 -11.958 1.300 7.642 449 HE21 GLN 59 HE21 GLN 59 -14.665 2.626 5.915 450 HE22 GLN 59 HE22 GLN 59 -15.810 2.522 7.211 451 H ALA 60 HN ALA 60 -8.916 4.557 8.089 452 HA ALA 60 HA ALA 60 -9.140 7.196 7.142 453 HB1 ALA 60 HB1 ALA 60 -8.351 6.670 9.390 454 HB2 ALA 60 HB2 ALA 60 -7.191 7.682 8.531 455 HB3 ALA 60 HB3 ALA 60 -6.887 5.955 8.717 456 H PHE 61 HN PHE 61 -6.575 4.774 6.648 457 HA PHE 61 HA PHE 61 -5.020 6.263 4.850 458 HD1 PHE 61 HD1 PHE 61 -2.388 5.354 4.542 459 HD2 PHE 61 HD2 PHE 61 -5.012 2.451 2.862 460 HE1 PHE 61 HE1 PHE 61 -0.811 5.005 2.687 461 HE2 PHE 61 HE2 PHE 61 -3.440 2.099 1.006 462 HZ PHE 61 HZ PHE 61 -1.334 3.377 0.916 463 HB2 PHE 61 HB2 PHE 61 -4.200 4.205 5.886 464 HB3 PHE 61 HB1 PHE 61 -5.417 3.266 5.030 465 H SER 62 HN SER 62 -7.774 4.132 4.332 466 HA SER 62 HA SER 62 -7.759 4.077 1.540 467 HG SER 62 HG SER 62 -8.573 2.336 3.852 468 HB2 SER 62 HB2 SER 62 -10.128 3.952 3.422 469 HB3 SER 62 HB1 SER 62 -10.127 3.436 1.734 470 H ASN 63 HN ASN 63 -9.752 6.143 3.670 471 HA ASN 63 HA ASN 63 -10.903 7.600 1.547 472 HB2 ASN 63 HB2 ASN 63 -10.764 8.080 4.514 473 HB3 ASN 63 HB1 ASN 63 -11.527 9.241 3.432 474 HD21 ASN 63 HD21 ASN 63 -11.710 6.055 4.809 475 HD22 ASN 63 HD22 ASN 63 -13.349 5.729 4.346 476 H SER 64 HN SER 64 -8.021 8.217 3.492 477 HA SER 64 HA SER 64 -7.716 10.914 2.680 478 HG SER 64 HG SER 64 -6.104 8.074 4.353 479 HB2 SER 64 HB2 SER 64 -5.334 10.617 3.440 480 HB3 SER 64 HB1 SER 64 -6.544 10.180 4.643 481 H LEU 65 HN LEU 65 -6.606 7.847 1.337 482 HA LEU 65 HA LEU 65 -5.011 8.986 -0.714 483 HG LEU 65 HG LEU 65 -3.850 5.532 -0.653 484 HB2 LEU 65 HB2 LEU 65 -6.073 6.309 -0.077 485 HB3 LEU 65 HB1 LEU 65 -5.758 6.604 -1.775 486 HD11 LEU 65 HD11 LEU 65 -2.120 7.071 -1.428 487 HD12 LEU 65 HD12 LEU 65 -3.311 8.367 -1.522 488 HD13 LEU 65 HD13 LEU 65 -3.451 6.963 -2.582 489 HD21 LEU 65 HD21 LEU 65 -4.160 6.480 1.580 490 HD22 LEU 65 HD22 LEU 65 -3.709 8.072 0.969 491 HD23 LEU 65 HD23 LEU 65 -2.527 6.763 0.980 492 H ILE 66 HN ILE 66 -8.415 8.054 -0.517 493 HA ILE 66 HA ILE 66 -9.135 8.482 -3.197 494 HB ILE 66 HB ILE 66 -10.930 9.274 -0.900 495 HG12 ILE 66 HG12 ILE 66 -9.980 7.083 -0.353 496 HG13 ILE 66 HG11 ILE 66 -11.688 6.958 -0.742 497 HG21 ILE 66 HG21 ILE 66 -11.495 8.091 -3.614 498 HG22 ILE 66 HG22 ILE 66 -11.754 9.768 -3.130 499 HG23 ILE 66 HG23 ILE 66 -12.708 8.478 -2.394 500 HD11 ILE 66 HD11 ILE 66 -9.418 6.266 -2.592 501 HD12 ILE 66 HD12 ILE 66 -11.136 6.096 -2.946 502 HD13 ILE 66 HD13 ILE 66 -10.394 5.120 -1.675 503 H ASN 67 HN ASN 67 -9.037 10.680 -0.432 504 HA ASN 67 HA ASN 67 -9.860 13.021 -1.752 505 HB2 ASN 67 HB2 ASN 67 -9.797 12.816 0.698 506 HB3 ASN 67 HB1 ASN 67 -8.042 12.715 0.653 507 HD21 ASN 67 HD21 ASN 67 -7.741 14.506 1.921 508 HD22 ASN 67 HD22 ASN 67 -8.077 16.111 1.373 509 H ALA 68 HN ALA 68 -6.621 11.697 -1.150 510 HA ALA 68 HA ALA 68 -5.128 13.814 -2.205 511 HB1 ALA 68 HB1 ALA 68 -4.403 10.885 -2.197 512 HB2 ALA 68 HB2 ALA 68 -4.180 11.997 -0.849 513 HB3 ALA 68 HB3 ALA 68 -3.285 12.242 -2.348 514 H VAL 69 HN VAL 69 -6.271 10.838 -3.792 515 HA VAL 69 HA VAL 69 -5.159 11.421 -6.318 516 HB VAL 69 HB VAL 69 -7.535 9.684 -5.621 517 HG11 VAL 69 HG11 VAL 69 -7.173 8.632 -7.819 518 HG12 VAL 69 HG12 VAL 69 -5.962 9.857 -8.191 519 HG13 VAL 69 HG13 VAL 69 -7.647 10.324 -7.960 520 HG21 VAL 69 HG21 VAL 69 -4.640 9.007 -6.132 521 HG22 VAL 69 HG22 VAL 69 -5.930 7.834 -5.875 522 HG23 VAL 69 HG23 VAL 69 -5.471 8.940 -4.579 523 H LYS 70 HN LYS 70 -8.352 12.077 -4.937 524 HA LYS 70 HA LYS 70 -9.535 13.114 -7.272 525 HB2 LYS 70 HB2 LYS 70 -10.744 12.386 -5.211 526 HB3 LYS 70 HB1 LYS 70 -10.170 13.840 -4.407 527 HG2 LYS 70 HG2 LYS 70 -11.396 15.228 -5.957 528 HG3 LYS 70 HG1 LYS 70 -11.892 13.808 -6.877 529 HD2 LYS 70 HD2 LYS 70 -12.620 14.390 -4.007 530 HD3 LYS 70 HD1 LYS 70 -13.678 14.613 -5.400 531 HE2 LYS 70 HE2 LYS 70 -13.474 12.189 -5.885 532 HE3 LYS 70 HE1 LYS 70 -12.524 12.010 -4.409 533 HZ1 LYS 70 HZ1 LYS 70 -14.449 12.878 -3.167 534 HZ2 LYS 70 HZ2 LYS 70 -14.793 11.429 -3.974 535 HZ3 LYS 70 HZ3 LYS 70 -15.349 12.903 -4.604 536 H THR 71 HN THR 71 -7.611 14.615 -4.738 537 HA THR 71 HA THR 71 -7.987 17.294 -5.612 538 HB THR 71 HB THR 71 -5.734 16.128 -3.961 539 HG1 THR 71 HG1 THR 71 -7.643 15.803 -2.862 540 HG21 THR 71 HG21 THR 71 -6.683 18.986 -4.250 541 HG22 THR 71 HG22 THR 71 -5.171 18.331 -4.877 542 HG23 THR 71 HG23 THR 71 -5.434 18.421 -3.137 543 H ARG 72 HN ARG 72 -5.711 14.745 -6.450 544 HA ARG 72 HA ARG 72 -4.038 16.500 -8.014 545 HE ARG 72 HE ARG 72 -1.185 13.984 -4.637 546 HB2 ARG 72 HB2 ARG 72 -4.139 13.488 -7.814 547 HB3 ARG 72 HB1 ARG 72 -2.957 14.373 -8.767 548 HG2 ARG 72 HG2 ARG 72 -2.136 15.458 -6.728 549 HG3 ARG 72 HG1 ARG 72 -3.308 14.535 -5.781 550 HD2 ARG 72 HD2 ARG 72 -2.275 12.455 -6.553 551 HD3 ARG 72 HD1 ARG 72 -1.089 13.383 -7.468 552 HH11 ARG 72 HH11 ARG 72 0.259 11.998 -7.151 553 HH12 ARG 72 HH12 ARG 72 1.673 11.631 -6.213 554 HH21 ARG 72 HH21 ARG 72 0.677 13.477 -3.412 555 HH22 ARG 72 HH22 ARG 72 1.914 12.463 -4.096 556 H LEU 73 HN LEU 73 -6.831 14.522 -8.532 557 HA LEU 73 HA LEU 73 -6.785 14.543 -11.377 558 HG LEU 73 HG LEU 73 -9.888 14.872 -11.763 559 HB2 LEU 73 HB2 LEU 73 -8.208 13.009 -10.080 560 HB3 LEU 73 HB1 LEU 73 -9.121 14.371 -9.464 561 HD11 LEU 73 HD11 LEU 73 -8.030 13.904 -12.997 562 HD12 LEU 73 HD12 LEU 73 -9.563 13.200 -13.515 563 HD13 LEU 73 HD13 LEU 73 -8.490 12.292 -12.449 564 HD21 LEU 73 HD21 LEU 73 -10.437 12.062 -10.818 565 HD22 LEU 73 HD22 LEU 73 -11.441 12.998 -11.924 566 HD23 LEU 73 HD23 LEU 73 -11.248 13.522 -10.252 567 H GLU 74 HN GLU 74 -8.150 16.645 -8.908 568 HA GLU 74 HA GLU 74 -8.938 18.629 -10.889 569 HB2 GLU 74 HB2 GLU 74 -9.618 18.030 -8.126 570 HB3 GLU 74 HB1 GLU 74 -9.247 19.733 -8.346 571 HG2 GLU 74 HG2 GLU 74 -11.268 18.167 -9.930 572 HG3 GLU 74 HG1 GLU 74 -11.628 19.274 -8.602 573 H HIS 75 HN HIS 75 -8.422 20.965 -9.565 574 HA HIS 75 HA HIS 75 -6.851 22.580 -9.306 575 HD1 HIS 75 HD1 HIS 75 -3.143 21.332 -6.970 576 HD2 HIS 75 HD2 HIS 75 -6.006 24.291 -7.566 577 HE1 HIS 75 HE1 HIS 75 -2.047 23.489 -6.291 578 HE2 HIS 75 HE2 HIS 75 -3.861 25.228 -6.471 579 HB2 HIS 75 HB2 HIS 75 -6.606 21.255 -7.176 580 HB3 HIS 75 HB1 HIS 75 -5.249 20.419 -7.923 581 H HIS 76 HN HIS 76 -6.523 22.498 -11.651 582 HA HIS 76 HA HIS 76 -4.060 21.179 -12.511 583 HD1 HIS 76 HD1 HIS 76 -7.964 21.193 -15.062 584 HD2 HIS 76 HD2 HIS 76 -4.923 19.037 -13.211 585 HE1 HIS 76 HE1 HIS 76 -8.759 18.806 -14.994 586 HE2 HIS 76 HE2 HIS 76 -7.009 17.580 -13.659 587 HB2 HIS 76 HB2 HIS 76 -6.172 22.668 -14.088 588 HB3 HIS 76 HB1 HIS 76 -4.741 21.923 -14.794 589 H HIS 77 HN HIS 77 -2.205 22.225 -12.831 590 HA HIS 77 HA HIS 77 -2.055 24.784 -11.534 591 HD1 HIS 77 HD1 HIS 77 0.755 24.065 -9.340 592 HD2 HIS 77 HD2 HIS 77 -1.396 21.010 -11.177 593 HE1 HIS 77 HE1 HIS 77 0.427 22.301 -7.575 594 HE2 HIS 77 HE2 HIS 77 -0.750 20.401 -8.749 595 HB2 HIS 77 HB2 HIS 77 0.126 23.072 -12.737 596 HB3 HIS 77 HB1 HIS 77 0.392 24.509 -11.758 597 H HIS 78 HN HIS 78 -3.145 26.129 -12.988 598 HA HIS 78 HA HIS 78 -1.271 27.254 -14.940 599 HD1 HIS 78 HD1 HIS 78 -4.923 28.648 -17.196 600 HD2 HIS 78 HD2 HIS 78 -0.902 27.634 -17.567 601 HE1 HIS 78 HE1 HIS 78 -4.038 30.040 -19.100 602 HE2 HIS 78 HE2 HIS 78 -1.573 29.520 -19.211 603 HB2 HIS 78 HB2 HIS 78 -3.012 25.886 -16.155 604 HB3 HIS 78 HB1 HIS 78 -4.236 26.973 -15.507 605 H HIS 79 HN HIS 79 -1.646 28.000 -12.337 606 HA HIS 79 HA HIS 79 -3.376 30.360 -12.390 607 HD1 HIS 79 HD1 HIS 79 -4.106 31.562 -9.111 608 HD2 HIS 79 HD2 HIS 79 -5.334 27.980 -10.835 609 HE1 HIS 79 HE1 HIS 79 -6.576 31.395 -8.648 610 HE2 HIS 79 HE2 HIS 79 -7.244 29.124 -9.507 611 HB2 HIS 79 HB2 HIS 79 -2.529 28.498 -10.340 612 HB3 HIS 79 HB1 HIS 79 -2.189 30.157 -9.863 613 H HIS 80 HN HIS 80 -2.549 32.398 -11.627 614 HA HIS 80 HA HIS 80 0.219 32.820 -12.427 615 HD1 HIS 80 HD1 HIS 80 -0.194 36.683 -10.787 616 HD2 HIS 80 HD2 HIS 80 0.826 35.018 -14.461 617 HE1 HIS 80 HE1 HIS 80 1.684 38.104 -11.683 618 HE2 HIS 80 HE2 HIS 80 2.354 37.020 -13.861 619 HB2 HIS 80 HB2 HIS 80 -1.658 34.326 -13.194 620 HB3 HIS 80 HB1 HIS 80 -1.794 34.891 -11.533 621 HA MET 1 HA MET 1 3.203 -11.492 -27.542 622 H1 MET 1 HT1 MET 1 3.704 -14.283 -28.382 623 H2 MET 1 HT2 MET 1 4.877 -13.083 -28.143 624 H3 MET 1 HT3 MET 1 3.742 -12.922 -29.390 625 HB2 MET 1 HB2 MET 1 0.890 -12.174 -27.222 626 HB3 MET 1 HB1 MET 1 1.371 -12.436 -28.891 627 HG2 MET 1 HG2 MET 1 1.377 -14.620 -26.833 628 HG3 MET 1 HG1 MET 1 -0.032 -14.231 -27.816 629 HE1 MET 1 HE1 MET 1 -0.175 -14.541 -30.405 630 HE2 MET 1 HE2 MET 1 1.177 -15.043 -31.421 631 HE3 MET 1 HE3 MET 1 1.217 -13.476 -30.612 632 H ALA 2 HN ALA 2 1.749 -11.850 -25.369 633 HA ALA 2 HA ALA 2 3.680 -12.883 -23.510 634 HB1 ALA 2 HB1 ALA 2 2.491 -10.804 -23.044 635 HB2 ALA 2 HB2 ALA 2 2.194 -12.003 -21.784 636 HB3 ALA 2 HB3 ALA 2 0.961 -11.681 -23.003 637 H GLN 3 HN GLN 3 3.689 -15.098 -23.957 638 HA GLN 3 HA GLN 3 1.294 -16.597 -23.149 639 HB2 GLN 3 HB2 GLN 3 3.859 -17.515 -24.472 640 HB3 GLN 3 HB1 GLN 3 2.514 -18.569 -24.055 641 HG2 GLN 3 HG2 GLN 3 1.093 -17.536 -25.638 642 HG3 GLN 3 HG1 GLN 3 2.227 -16.212 -25.897 643 HE21 GLN 3 HE21 GLN 3 1.529 -19.565 -26.545 644 HE22 GLN 3 HE22 GLN 3 2.659 -19.745 -27.844 645 H HIS 4 HN HIS 4 4.597 -15.887 -22.361 646 HA HIS 4 HA HIS 4 4.726 -17.621 -20.064 647 HD1 HIS 4 HD1 HIS 4 7.431 -18.197 -18.767 648 HD2 HIS 4 HD2 HIS 4 7.412 -14.038 -18.957 649 HE1 HIS 4 HE1 HIS 4 8.740 -17.416 -16.764 650 HE2 HIS 4 HE2 HIS 4 8.930 -14.914 -17.056 651 HB2 HIS 4 HB2 HIS 4 6.794 -17.108 -21.139 652 HB3 HIS 4 HB1 HIS 4 6.459 -15.384 -21.124 653 H SER 5 HN SER 5 3.887 -14.296 -20.745 654 HA SER 5 HA SER 5 3.655 -13.641 -17.932 655 HG SER 5 HG SER 5 5.014 -11.170 -20.259 656 HB2 SER 5 HB2 SER 5 2.946 -11.932 -20.325 657 HB3 SER 5 HB1 SER 5 3.208 -11.387 -18.671 658 H LYS 6 HN LYS 6 1.973 -15.087 -17.340 659 HA LYS 6 HA LYS 6 -0.690 -14.238 -18.285 660 HB2 LYS 6 HB2 LYS 6 0.353 -16.958 -17.577 661 HB3 LYS 6 HB1 LYS 6 -1.356 -16.597 -17.399 662 HG2 LYS 6 HG2 LYS 6 -1.331 -15.880 -19.820 663 HG3 LYS 6 HG1 LYS 6 0.283 -16.592 -19.912 664 HD2 LYS 6 HD2 LYS 6 -0.563 -18.754 -19.341 665 HD3 LYS 6 HD1 LYS 6 -2.150 -18.090 -18.952 666 HE2 LYS 6 HE2 LYS 6 -2.353 -17.390 -21.338 667 HE3 LYS 6 HE1 LYS 6 -0.857 -18.260 -21.669 668 HZ1 LYS 6 HZ1 LYS 6 -3.276 -19.516 -20.494 669 HZ2 LYS 6 HZ2 LYS 6 -1.877 -20.306 -21.034 670 HZ3 LYS 6 HZ3 LYS 6 -2.904 -19.540 -22.148 671 H TYR 7 HN TYR 7 0.960 -13.197 -16.084 672 HA TYR 7 HA TYR 7 0.752 -12.495 -13.937 673 HD1 TYR 7 HD1 TYR 7 -2.070 -12.316 -16.546 674 HD2 TYR 7 HD2 TYR 7 -1.365 -10.216 -12.915 675 HE1 TYR 7 HE1 TYR 7 -2.574 -10.196 -17.683 676 HE2 TYR 7 HE2 TYR 7 -1.867 -8.092 -14.041 677 HH TYR 7 HH TYR 7 -2.066 -7.095 -16.129 678 HB2 TYR 7 HB2 TYR 7 -2.094 -13.457 -14.292 679 HB3 TYR 7 HB1 TYR 7 -1.526 -12.571 -12.885 680 H SER 8 HN SER 8 2.249 -14.076 -13.226 681 HA SER 8 HA SER 8 1.339 -16.620 -12.303 682 HG SER 8 HG SER 8 4.003 -14.255 -12.010 683 HB2 SER 8 HB2 SER 8 3.840 -16.504 -11.406 684 HB3 SER 8 HB1 SER 8 3.474 -16.826 -13.104 685 H ASP 9 HN ASP 9 0.204 -16.733 -10.526 686 HA ASP 9 HA ASP 9 0.169 -14.873 -8.429 687 HB2 ASP 9 HB2 ASP 9 -1.093 -16.484 -7.202 688 HB3 ASP 9 HB1 ASP 9 -1.550 -16.683 -8.889 689 H ALA 10 HN ALA 10 2.412 -17.257 -9.328 690 HA ALA 10 HA ALA 10 3.516 -17.674 -6.670 691 HB1 ALA 10 HB1 ALA 10 4.572 -18.511 -9.372 692 HB2 ALA 10 HB2 ALA 10 3.568 -19.497 -8.307 693 HB3 ALA 10 HB3 ALA 10 5.196 -19.038 -7.810 694 H GLN 11 HN GLN 11 4.072 -15.723 -9.492 695 HA GLN 11 HA GLN 11 6.602 -14.705 -8.536 696 HB2 GLN 11 HB2 GLN 11 6.185 -14.883 -10.939 697 HB3 GLN 11 HB1 GLN 11 4.814 -13.796 -10.803 698 HG2 GLN 11 HG2 GLN 11 7.505 -12.846 -9.946 699 HG3 GLN 11 HG1 GLN 11 7.125 -12.947 -11.665 700 HE21 GLN 11 HE21 GLN 11 7.644 -10.610 -10.010 701 HE22 GLN 11 HE22 GLN 11 6.248 -9.605 -10.151 702 H LEU 12 HN LEU 12 3.214 -13.815 -8.413 703 HA LEU 12 HA LEU 12 3.550 -11.213 -7.384 704 HG LEU 12 HG LEU 12 1.430 -11.378 -5.163 705 HB2 LEU 12 HB2 LEU 12 1.359 -11.935 -8.129 706 HB3 LEU 12 HB1 LEU 12 1.319 -13.199 -6.912 707 HD11 LEU 12 HD11 LEU 12 0.747 -9.135 -5.837 708 HD12 LEU 12 HD12 LEU 12 0.811 -9.623 -7.532 709 HD13 LEU 12 HD13 LEU 12 2.287 -9.593 -6.565 710 HD21 LEU 12 HD21 LEU 12 -0.648 -12.516 -5.630 711 HD22 LEU 12 HD22 LEU 12 -0.961 -11.442 -6.994 712 HD23 LEU 12 HD23 LEU 12 -0.949 -10.797 -5.347 713 H SER 13 HN SER 13 2.961 -14.297 -5.651 714 HA SER 13 HA SER 13 3.251 -13.278 -3.078 715 HG SER 13 HG SER 13 2.896 -16.723 -4.732 716 HB2 SER 13 HB2 SER 13 4.052 -15.713 -2.581 717 HB3 SER 13 HB1 SER 13 2.406 -15.449 -3.154 718 H ALA 14 HN ALA 14 5.668 -14.414 -5.372 719 HA ALA 14 HA ALA 14 7.891 -14.199 -3.639 720 HB1 ALA 14 HB1 ALA 14 7.816 -14.022 -6.646 721 HB2 ALA 14 HB2 ALA 14 7.948 -15.506 -5.701 722 HB3 ALA 14 HB3 ALA 14 9.246 -14.312 -5.657 723 H ILE 15 HN ILE 15 6.151 -11.821 -5.553 724 HA ILE 15 HA ILE 15 8.321 -9.919 -5.405 725 HB ILE 15 HB ILE 15 6.572 -10.125 -7.327 726 HG12 ILE 15 HG12 ILE 15 6.790 -7.661 -7.769 727 HG13 ILE 15 HG11 ILE 15 7.485 -7.498 -6.157 728 HG21 ILE 15 HG21 ILE 15 5.083 -8.275 -5.471 729 HG22 ILE 15 HG22 ILE 15 4.563 -9.886 -5.969 730 HG23 ILE 15 HG23 ILE 15 4.685 -8.590 -7.161 731 HD11 ILE 15 HD11 ILE 15 8.596 -9.167 -8.398 732 HD12 ILE 15 HD12 ILE 15 9.290 -9.006 -6.783 733 HD13 ILE 15 HD13 ILE 15 9.215 -7.605 -7.854 734 H VAL 16 HN VAL 16 5.269 -10.524 -3.765 735 HA VAL 16 HA VAL 16 5.350 -8.112 -2.214 736 HB VAL 16 HB VAL 16 3.913 -10.581 -1.277 737 HG11 VAL 16 HG11 VAL 16 2.294 -8.999 -0.449 738 HG12 VAL 16 HG12 VAL 16 3.129 -7.670 -1.255 739 HG13 VAL 16 HG13 VAL 16 3.905 -8.519 0.085 740 HG21 VAL 16 HG21 VAL 16 2.940 -8.770 -3.484 741 HG22 VAL 16 HG22 VAL 16 2.007 -10.046 -2.702 742 HG23 VAL 16 HG23 VAL 16 3.426 -10.454 -3.665 743 H ASN 17 HN ASN 17 6.322 -11.467 -1.752 744 HA ASN 17 HA ASN 17 7.202 -11.202 0.931 745 HB2 ASN 17 HB2 ASN 17 6.654 -13.366 -0.203 746 HB3 ASN 17 HB1 ASN 17 8.126 -13.197 -1.151 747 HD21 ASN 17 HD21 ASN 17 8.883 -15.145 -0.323 748 HD22 ASN 17 HD22 ASN 17 9.523 -15.270 1.288 749 H ASP 18 HN ASP 18 8.631 -10.483 -2.152 750 HA ASP 18 HA ASP 18 11.324 -10.243 -1.359 751 HB2 ASP 18 HB2 ASP 18 10.357 -10.222 -3.739 752 HB3 ASP 18 HB1 ASP 18 9.947 -8.538 -3.435 753 H MET 19 HN MET 19 8.685 -7.905 -1.679 754 HA MET 19 HA MET 19 9.967 -5.629 -0.725 755 HB2 MET 19 HB2 MET 19 7.057 -6.402 -0.454 756 HB3 MET 19 HB1 MET 19 7.699 -4.782 -0.217 757 HG2 MET 19 HG2 MET 19 8.398 -4.701 -2.540 758 HG3 MET 19 HG1 MET 19 7.809 -6.346 -2.782 759 HE1 MET 19 HE1 MET 19 6.392 -5.502 -4.871 760 HE2 MET 19 HE2 MET 19 6.965 -3.854 -4.610 761 HE3 MET 19 HE3 MET 19 5.241 -4.169 -4.795 762 H ILE 20 HN ILE 20 8.195 -8.133 1.050 763 HA ILE 20 HA ILE 20 8.302 -7.026 3.607 764 HB ILE 20 HB ILE 20 8.495 -9.952 2.850 765 HG12 ILE 20 HG12 ILE 20 6.094 -8.264 3.597 766 HG13 ILE 20 HG11 ILE 20 6.488 -8.801 1.967 767 HG21 ILE 20 HG21 ILE 20 7.658 -10.391 5.115 768 HG22 ILE 20 HG22 ILE 20 7.749 -8.668 5.477 769 HG23 ILE 20 HG23 ILE 20 9.222 -9.577 5.141 770 HD11 ILE 20 HD11 ILE 20 4.752 -10.181 2.935 771 HD12 ILE 20 HD12 ILE 20 5.795 -10.573 4.301 772 HD13 ILE 20 HD13 ILE 20 6.219 -11.128 2.680 773 H ALA 21 HN ALA 21 10.625 -9.132 1.952 774 HA ALA 21 HA ALA 21 12.525 -9.160 4.050 775 HB1 ALA 21 HB1 ALA 21 14.050 -10.097 2.403 776 HB2 ALA 21 HB2 ALA 21 12.941 -9.646 1.106 777 HB3 ALA 21 HB3 ALA 21 12.463 -10.859 2.293 778 H VAL 22 HN VAL 22 12.063 -7.089 1.219 779 HA VAL 22 HA VAL 22 14.430 -5.589 1.399 780 HB VAL 22 HB VAL 22 11.728 -4.530 0.540 781 HG11 VAL 22 HG11 VAL 22 13.424 -2.808 0.906 782 HG12 VAL 22 HG12 VAL 22 13.009 -2.960 -0.801 783 HG13 VAL 22 HG13 VAL 22 14.514 -3.649 -0.194 784 HG21 VAL 22 HG21 VAL 22 12.462 -5.118 -1.759 785 HG22 VAL 22 HG22 VAL 22 12.167 -6.521 -0.730 786 HG23 VAL 22 HG23 VAL 22 13.821 -5.996 -1.057 787 H LEU 23 HN LEU 23 11.287 -5.177 2.951 788 HA LEU 23 HA LEU 23 11.787 -2.767 4.280 789 HG LEU 23 HG LEU 23 10.331 -3.423 6.963 790 HB2 LEU 23 HB2 LEU 23 9.558 -3.773 4.062 791 HB3 LEU 23 HB1 LEU 23 10.038 -5.074 5.134 792 HD11 LEU 23 HD11 LEU 23 9.133 -1.488 4.983 793 HD12 LEU 23 HD12 LEU 23 10.781 -1.446 5.608 794 HD13 LEU 23 HD13 LEU 23 9.420 -1.173 6.694 795 HD21 LEU 23 HD21 LEU 23 7.923 -3.000 7.302 796 HD22 LEU 23 HD22 LEU 23 8.265 -4.657 6.801 797 HD23 LEU 23 HD23 LEU 23 7.626 -3.497 5.635 798 H GLU 24 HN GLU 24 12.293 -6.125 5.328 799 HA GLU 24 HA GLU 24 13.207 -5.498 7.925 800 HB2 GLU 24 HB2 GLU 24 13.839 -7.926 6.241 801 HB3 GLU 24 HB1 GLU 24 14.098 -7.788 7.973 802 HG2 GLU 24 HG2 GLU 24 11.632 -7.445 8.228 803 HG3 GLU 24 HG1 GLU 24 11.469 -7.827 6.513 804 H LYS 25 HN LYS 25 14.796 -5.532 4.831 805 HA LYS 25 HA LYS 25 17.462 -5.568 5.858 806 HB2 LYS 25 HB2 LYS 25 16.361 -4.738 3.172 807 HB3 LYS 25 HB1 LYS 25 18.077 -4.793 3.550 808 HG2 LYS 25 HG2 LYS 25 17.892 -7.190 4.011 809 HG3 LYS 25 HG1 LYS 25 16.177 -7.129 3.602 810 HD2 LYS 25 HD2 LYS 25 16.726 -6.435 1.335 811 HD3 LYS 25 HD1 LYS 25 18.444 -6.429 1.739 812 HE2 LYS 25 HE2 LYS 25 17.894 -8.463 0.558 813 HE3 LYS 25 HE1 LYS 25 18.311 -8.840 2.228 814 HZ1 LYS 25 HZ1 LYS 25 15.564 -8.648 1.115 815 HZ2 LYS 25 HZ2 LYS 25 15.942 -8.973 2.739 816 HZ3 LYS 25 HZ3 LYS 25 16.377 -10.078 1.528 817 H HIS 26 HN HIS 26 15.043 -3.206 5.699 818 HA HIS 26 HA HIS 26 17.022 -1.057 6.047 819 HD1 HIS 26 HD1 HIS 26 17.548 -0.396 3.942 820 HD2 HIS 26 HD2 HIS 26 13.582 -0.741 2.727 821 HE1 HIS 26 HE1 HIS 26 17.610 -0.498 1.434 822 HE2 HIS 26 HE2 HIS 26 15.199 -0.528 0.707 823 HB2 HIS 26 HB2 HIS 26 14.069 -0.876 5.404 824 HB3 HIS 26 HB1 HIS 26 15.137 0.502 5.639 825 H LYS 27 HN LYS 27 14.395 -2.779 7.536 826 HA LYS 27 HA LYS 27 13.536 -2.834 9.637 827 HB2 LYS 27 HB2 LYS 27 15.965 -3.259 10.135 828 HB3 LYS 27 HB1 LYS 27 16.140 -1.542 10.472 829 HG2 LYS 27 HG2 LYS 27 14.322 -1.838 12.215 830 HG3 LYS 27 HG1 LYS 27 14.532 -3.576 11.989 831 HD2 LYS 27 HD2 LYS 27 15.837 -2.686 13.892 832 HD3 LYS 27 HD1 LYS 27 16.851 -3.420 12.648 833 HE2 LYS 27 HE2 LYS 27 17.752 -1.284 13.522 834 HE3 LYS 27 HE1 LYS 27 17.457 -1.264 11.785 835 HZ1 LYS 27 HZ1 LYS 27 16.696 0.775 12.773 836 HZ2 LYS 27 HZ2 LYS 27 15.715 -0.064 13.878 837 HZ3 LYS 27 HZ3 LYS 27 15.355 -0.105 12.222 838 H ALA 28 HN ALA 28 12.843 -0.646 8.049 839 HA ALA 28 HA ALA 28 13.041 1.811 9.481 840 HB1 ALA 28 HB1 ALA 28 11.474 2.667 7.808 841 HB2 ALA 28 HB2 ALA 28 11.194 1.026 7.226 842 HB3 ALA 28 HB3 ALA 28 12.787 1.763 7.052 843 HA PRO 29 HA PRO 29 9.638 1.266 12.285 844 HB2 PRO 29 HB2 PRO 29 9.271 4.164 12.251 845 HB3 PRO 29 HB1 PRO 29 9.818 3.128 13.570 846 HG2 PRO 29 HG2 PRO 29 11.449 4.869 12.285 847 HG3 PRO 29 HG1 PRO 29 12.026 3.357 13.010 848 HD2 PRO 29 HD2 PRO 29 11.473 4.003 10.146 849 HD3 PRO 29 HD1 PRO 29 12.766 3.013 10.851 850 H VAL 30 HN VAL 30 7.331 1.533 12.337 851 HA VAL 30 HA VAL 30 6.182 1.349 9.771 852 HB VAL 30 HB VAL 30 5.231 0.210 11.744 853 HG11 VAL 30 HG11 VAL 30 4.287 2.952 12.561 854 HG12 VAL 30 HG12 VAL 30 5.485 1.970 13.400 855 HG13 VAL 30 HG13 VAL 30 3.808 1.432 13.314 856 HG21 VAL 30 HG21 VAL 30 2.869 0.605 11.209 857 HG22 VAL 30 HG22 VAL 30 3.869 0.488 9.761 858 HG23 VAL 30 HG23 VAL 30 3.325 2.065 10.330 859 H ASP 31 HN ASP 31 6.583 4.017 11.975 860 HA ASP 31 HA ASP 31 4.766 5.843 10.864 861 HB2 ASP 31 HB2 ASP 31 7.495 6.482 12.022 862 HB3 ASP 31 HB1 ASP 31 6.151 7.603 11.835 863 H LEU 32 HN LEU 32 8.259 5.629 10.315 864 HA LEU 32 HA LEU 32 8.307 7.442 8.165 865 HG LEU 32 HG LEU 32 10.788 6.705 6.705 866 HB2 LEU 32 HB2 LEU 32 10.220 6.714 9.675 867 HB3 LEU 32 HB1 LEU 32 10.330 5.271 8.688 868 HD11 LEU 32 HD11 LEU 32 11.357 9.050 7.056 869 HD12 LEU 32 HD12 LEU 32 10.910 8.914 8.757 870 HD13 LEU 32 HD13 LEU 32 9.681 8.737 7.504 871 HD21 LEU 32 HD21 LEU 32 12.652 7.121 9.044 872 HD22 LEU 32 HD22 LEU 32 13.073 7.257 7.336 873 HD23 LEU 32 HD23 LEU 32 12.605 5.695 8.007 874 H SER 33 HN SER 33 8.046 3.940 8.333 875 HA SER 33 HA SER 33 8.350 3.330 5.621 876 HG SER 33 HG SER 33 7.841 0.389 5.829 877 HB2 SER 33 HB2 SER 33 8.296 1.643 7.436 878 HB3 SER 33 HB1 SER 33 6.566 1.939 7.638 879 H LEU 34 HN LEU 34 5.377 4.106 7.450 880 HA LEU 34 HA LEU 34 3.691 3.826 5.173 881 HG LEU 34 HG LEU 34 3.346 2.682 8.007 882 HB2 LEU 34 HB2 LEU 34 3.240 5.107 7.857 883 HB3 LEU 34 HB1 LEU 34 1.998 5.005 6.625 884 HD11 LEU 34 HD11 LEU 34 1.093 2.257 8.886 885 HD12 LEU 34 HD12 LEU 34 0.525 3.740 8.116 886 HD13 LEU 34 HD13 LEU 34 1.727 3.818 9.405 887 HD21 LEU 34 HD21 LEU 34 1.794 1.268 6.750 888 HD22 LEU 34 HD22 LEU 34 2.880 2.143 5.671 889 HD23 LEU 34 HD23 LEU 34 1.213 2.683 5.871 890 H ILE 35 HN ILE 35 5.671 6.402 6.331 891 HA ILE 35 HA ILE 35 4.320 8.460 4.851 892 HB ILE 35 HB ILE 35 7.201 8.427 5.783 893 HG12 ILE 35 HG12 ILE 35 4.778 9.618 7.148 894 HG13 ILE 35 HG11 ILE 35 5.527 8.098 7.615 895 HG21 ILE 35 HG21 ILE 35 5.382 10.701 4.997 896 HG22 ILE 35 HG22 ILE 35 6.758 10.099 4.070 897 HG23 ILE 35 HG23 ILE 35 7.018 10.871 5.635 898 HD11 ILE 35 HD11 ILE 35 7.594 9.285 8.150 899 HD12 ILE 35 HD12 ILE 35 6.223 9.905 9.072 900 HD13 ILE 35 HD13 ILE 35 6.832 10.808 7.687 901 H ALA 36 HN ALA 36 7.196 6.445 4.294 902 HA ALA 36 HA ALA 36 7.810 7.351 1.715 903 HB1 ALA 36 HB1 ALA 36 9.086 5.284 1.490 904 HB2 ALA 36 HB2 ALA 36 8.266 4.612 2.901 905 HB3 ALA 36 HB3 ALA 36 9.336 6.002 3.082 906 H LEU 37 HN LEU 37 5.959 4.494 2.757 907 HA LEU 37 HA LEU 37 5.148 3.764 0.147 908 HG LEU 37 HG LEU 37 6.188 2.212 2.650 909 HB2 LEU 37 HB2 LEU 37 3.909 3.099 2.816 910 HB3 LEU 37 HB1 LEU 37 3.490 2.328 1.298 911 HD11 LEU 37 HD11 LEU 37 4.049 0.117 2.295 912 HD12 LEU 37 HD12 LEU 37 4.499 0.904 3.808 913 HD13 LEU 37 HD13 LEU 37 5.649 -0.151 2.986 914 HD21 LEU 37 HD21 LEU 37 6.782 0.611 0.912 915 HD22 LEU 37 HD22 LEU 37 6.367 2.172 0.204 916 HD23 LEU 37 HD23 LEU 37 5.213 0.842 0.142 917 H GLY 38 HN GLY 38 3.868 6.001 2.497 918 HA2 GLY 38 HA2 GLY 38 1.301 6.350 1.352 919 HA3 GLY 38 HA1 GLY 38 2.138 7.512 2.376 920 H ASN 39 HN ASN 39 4.321 8.206 0.957 921 HA ASN 39 HA ASN 39 3.337 9.898 -1.071 922 HB2 ASN 39 HB2 ASN 39 6.103 9.047 -0.250 923 HB3 ASN 39 HB1 ASN 39 5.853 10.088 -1.648 924 HD21 ASN 39 HD21 ASN 39 7.155 10.581 0.956 925 HD22 ASN 39 HD22 ASN 39 6.366 11.980 1.602 926 H MET 40 HN MET 40 4.711 6.687 -1.135 927 HA MET 40 HA MET 40 5.107 6.557 -3.951 928 HB2 MET 40 HB2 MET 40 6.301 5.107 -2.360 929 HB3 MET 40 HB1 MET 40 4.785 4.330 -1.930 930 HG2 MET 40 HG2 MET 40 4.568 3.480 -4.205 931 HG3 MET 40 HG1 MET 40 6.079 4.276 -4.647 932 HE1 MET 40 HE1 MET 40 7.099 0.494 -4.620 933 HE2 MET 40 HE2 MET 40 7.025 1.978 -5.568 934 HE3 MET 40 HE3 MET 40 5.536 1.146 -5.117 935 H ALA 41 HN ALA 41 2.536 5.395 -1.789 936 HA ALA 41 HA ALA 41 0.963 4.063 -3.659 937 HB1 ALA 41 HB1 ALA 41 0.050 5.576 -1.211 938 HB2 ALA 41 HB2 ALA 41 0.585 3.896 -1.256 939 HB3 ALA 41 HB3 ALA 41 -0.895 4.374 -2.088 940 H SER 42 HN SER 42 0.684 7.435 -2.567 941 HA SER 42 HA SER 42 -1.447 8.128 -4.259 942 HG SER 42 HG SER 42 0.996 9.457 -1.808 943 HB2 SER 42 HB2 SER 42 -0.555 10.508 -3.855 944 HB3 SER 42 HB1 SER 42 -1.032 9.571 -2.437 945 H ASN 43 HN ASN 43 2.050 8.461 -4.642 946 HA ASN 43 HA ASN 43 2.173 9.742 -7.094 947 HB2 ASN 43 HB2 ASN 43 4.166 9.366 -5.780 948 HB3 ASN 43 HB1 ASN 43 3.985 7.621 -5.924 949 HD21 ASN 43 HD21 ASN 43 4.906 10.556 -7.550 950 HD22 ASN 43 HD22 ASN 43 5.704 9.793 -8.879 951 H LEU 44 HN LEU 44 2.167 6.226 -6.484 952 HA LEU 44 HA LEU 44 2.190 5.488 -9.195 953 HG LEU 44 HG LEU 44 3.521 4.404 -6.537 954 HB2 LEU 44 HB2 LEU 44 1.154 3.976 -6.800 955 HB3 LEU 44 HB1 LEU 44 1.421 3.275 -8.386 956 HD11 LEU 44 HD11 LEU 44 2.992 1.606 -7.522 957 HD12 LEU 44 HD12 LEU 44 2.692 2.212 -5.893 958 HD13 LEU 44 HD13 LEU 44 4.344 2.103 -6.503 959 HD21 LEU 44 HD21 LEU 44 5.144 3.732 -8.222 960 HD22 LEU 44 HD22 LEU 44 4.023 4.931 -8.875 961 HD23 LEU 44 HD23 LEU 44 3.837 3.229 -9.295 962 H LEU 45 HN LEU 45 -0.503 6.056 -6.969 963 HA LEU 45 HA LEU 45 -2.469 5.070 -8.758 964 HG LEU 45 HG LEU 45 -2.064 4.604 -5.756 965 HB2 LEU 45 HB2 LEU 45 -2.698 6.900 -6.369 966 HB3 LEU 45 HB1 LEU 45 -4.080 6.283 -7.253 967 HD11 LEU 45 HD11 LEU 45 -4.939 5.254 -5.126 968 HD12 LEU 45 HD12 LEU 45 -3.530 5.903 -4.288 969 HD13 LEU 45 HD13 LEU 45 -3.888 4.179 -4.205 970 HD21 LEU 45 HD21 LEU 45 -2.949 3.431 -7.698 971 HD22 LEU 45 HD22 LEU 45 -4.597 3.818 -7.197 972 HD23 LEU 45 HD23 LEU 45 -3.600 2.750 -6.207 973 H THR 46 HN THR 46 -0.743 8.034 -8.663 974 HA THR 46 HA THR 46 -2.719 9.136 -10.557 975 HB THR 46 HB THR 46 -1.477 11.351 -10.112 976 HG1 THR 46 HG1 THR 46 -0.691 9.815 -7.834 977 HG21 THR 46 HG21 THR 46 -3.775 10.874 -9.421 978 HG22 THR 46 HG22 THR 46 -2.923 11.809 -8.190 979 HG23 THR 46 HG23 THR 46 -3.177 10.078 -7.964 980 H THR 47 HN THR 47 -0.200 7.312 -10.818 981 HA THR 47 HA THR 47 0.832 8.740 -13.170 982 HB THR 47 HB THR 47 2.537 7.044 -11.335 983 HG1 THR 47 HG1 THR 47 2.173 8.909 -10.228 984 HG21 THR 47 HG21 THR 47 4.401 7.993 -12.625 985 HG22 THR 47 HG22 THR 47 3.248 8.828 -13.667 986 HG23 THR 47 HG23 THR 47 3.305 7.064 -13.651 987 H SER 48 HN SER 48 0.323 5.591 -11.590 988 HA SER 48 HA SER 48 1.069 4.191 -14.020 989 HG SER 48 HG SER 48 2.732 2.930 -12.265 990 HB2 SER 48 HB2 SER 48 0.093 3.135 -11.357 991 HB3 SER 48 HB1 SER 48 0.760 2.163 -12.669 992 H VAL 49 HN VAL 49 -1.854 4.687 -12.067 993 HA VAL 49 HA VAL 49 -3.419 3.294 -14.114 994 HB VAL 49 HB VAL 49 -5.290 3.381 -12.500 995 HG11 VAL 49 HG11 VAL 49 -4.354 1.791 -10.867 996 HG12 VAL 49 HG12 VAL 49 -2.732 2.203 -11.424 997 HG13 VAL 49 HG13 VAL 49 -3.873 1.427 -12.523 998 HG21 VAL 49 HG21 VAL 49 -4.653 5.423 -11.320 999 HG22 VAL 49 HG22 VAL 49 -3.264 4.589 -10.624 1000 HG23 VAL 49 HG23 VAL 49 -4.898 4.083 -10.200 1001 HA PRO 50 HA PRO 50 -5.280 7.015 -15.711 1002 HB2 PRO 50 HB2 PRO 50 -7.893 6.228 -15.952 1003 HB3 PRO 50 HB1 PRO 50 -6.625 5.765 -17.093 1004 HG2 PRO 50 HG2 PRO 50 -7.765 4.218 -14.794 1005 HG3 PRO 50 HG1 PRO 50 -7.368 3.661 -16.431 1006 HD2 PRO 50 HD2 PRO 50 -5.744 3.182 -14.352 1007 HD3 PRO 50 HD1 PRO 50 -5.101 3.529 -15.972 1008 H GLN 51 HN GLN 51 -5.592 8.761 -14.490 1009 HA GLN 51 HA GLN 51 -6.332 8.739 -11.816 1010 HB2 GLN 51 HB2 GLN 51 -6.519 11.038 -13.765 1011 HB3 GLN 51 HB1 GLN 51 -6.582 11.184 -12.015 1012 HG2 GLN 51 HG2 GLN 51 -4.308 10.250 -11.884 1013 HG3 GLN 51 HG1 GLN 51 -4.249 10.209 -13.646 1014 HE21 GLN 51 HE21 GLN 51 -5.810 12.754 -11.836 1015 HE22 GLN 51 HE22 GLN 51 -4.678 13.999 -12.228 1016 H THR 52 HN THR 52 -8.361 9.275 -14.669 1017 HA THR 52 HA THR 52 -10.637 10.222 -13.309 1018 HB THR 52 HB THR 52 -10.559 8.666 -15.904 1019 HG1 THR 52 HG1 THR 52 -10.658 11.493 -15.710 1020 HG21 THR 52 HG21 THR 52 -12.818 8.878 -15.000 1021 HG22 THR 52 HG22 THR 52 -12.625 9.899 -16.425 1022 HG23 THR 52 HG23 THR 52 -12.597 10.617 -14.814 1023 H GLN 53 HN GLN 53 -9.570 6.941 -14.085 1024 HA GLN 53 HA GLN 53 -12.001 5.815 -12.922 1025 HB2 GLN 53 HB2 GLN 53 -11.166 4.885 -15.046 1026 HB3 GLN 53 HB1 GLN 53 -9.647 4.468 -14.270 1027 HG2 GLN 53 HG2 GLN 53 -10.810 2.892 -12.817 1028 HG3 GLN 53 HG1 GLN 53 -12.344 3.323 -13.568 1029 HE21 GLN 53 HE21 GLN 53 -11.243 3.513 -16.232 1030 HE22 GLN 53 HE22 GLN 53 -10.930 1.891 -16.757 1031 H CYS 54 HN CYS 54 -9.083 6.880 -11.851 1032 HA CYS 54 HA CYS 54 -8.129 4.803 -10.223 1033 HG CYS 54 HG CYS 54 -5.004 6.789 -9.064 1034 HB2 CYS 54 HB2 CYS 54 -6.829 6.813 -10.917 1035 HB3 CYS 54 HB1 CYS 54 -7.780 7.772 -9.786 1036 H GLU 55 HN GLU 55 -10.592 7.248 -9.666 1037 HA GLU 55 HA GLU 55 -10.818 6.996 -6.887 1038 HB2 GLU 55 HB2 GLU 55 -12.008 8.730 -8.207 1039 HB3 GLU 55 HB1 GLU 55 -13.060 7.481 -8.862 1040 HG2 GLU 55 HG2 GLU 55 -13.790 6.961 -6.549 1041 HG3 GLU 55 HG1 GLU 55 -12.841 8.334 -5.985 1042 H ALA 56 HN ALA 56 -12.473 5.238 -9.492 1043 HA ALA 56 HA ALA 56 -13.883 3.462 -7.805 1044 HB1 ALA 56 HB1 ALA 56 -13.045 3.094 -10.681 1045 HB2 ALA 56 HB2 ALA 56 -14.539 3.846 -10.122 1046 HB3 ALA 56 HB3 ALA 56 -14.250 2.131 -9.826 1047 H LEU 57 HN LEU 57 -10.736 3.325 -9.367 1048 HA LEU 57 HA LEU 57 -10.049 0.680 -8.767 1049 HG LEU 57 HG LEU 57 -6.955 1.425 -10.539 1050 HB2 LEU 57 HB2 LEU 57 -8.817 2.904 -9.925 1051 HB3 LEU 57 HB1 LEU 57 -7.804 2.503 -8.555 1052 HD11 LEU 57 HD11 LEU 57 -6.925 -0.897 -9.801 1053 HD12 LEU 57 HD12 LEU 57 -8.286 -0.581 -8.724 1054 HD13 LEU 57 HD13 LEU 57 -6.734 0.208 -8.441 1055 HD21 LEU 57 HD21 LEU 57 -9.036 1.375 -11.820 1056 HD22 LEU 57 HD22 LEU 57 -9.660 0.105 -10.764 1057 HD23 LEU 57 HD23 LEU 57 -8.258 -0.208 -11.789 1058 H ALA 58 HN ALA 58 -9.365 3.669 -6.962 1059 HA ALA 58 HA ALA 58 -8.086 2.392 -4.793 1060 HB1 ALA 58 HB1 ALA 58 -7.778 4.761 -5.333 1061 HB2 ALA 58 HB2 ALA 58 -8.279 4.530 -3.657 1062 HB3 ALA 58 HB3 ALA 58 -9.447 5.080 -4.858 1063 H GLN 59 HN GLN 59 -11.448 3.289 -5.389 1064 HA GLN 59 HA GLN 59 -12.450 2.698 -2.825 1065 HB2 GLN 59 HB2 GLN 59 -13.723 2.766 -5.550 1066 HB3 GLN 59 HB1 GLN 59 -14.641 2.315 -4.120 1067 HG2 GLN 59 HG2 GLN 59 -14.253 4.453 -3.120 1068 HG3 GLN 59 HG1 GLN 59 -13.143 4.905 -4.412 1069 HE21 GLN 59 HE21 GLN 59 -14.816 3.738 -6.498 1070 HE22 GLN 59 HE22 GLN 59 -16.143 4.827 -6.710 1071 H ALA 60 HN ALA 60 -11.989 0.670 -5.692 1072 HA ALA 60 HA ALA 60 -13.084 -1.686 -4.549 1073 HB1 ALA 60 HB1 ALA 60 -11.043 -1.418 -6.753 1074 HB2 ALA 60 HB2 ALA 60 -12.793 -1.408 -6.964 1075 HB3 ALA 60 HB3 ALA 60 -11.984 -2.862 -6.378 1076 H PHE 61 HN PHE 61 -9.823 -0.360 -4.760 1077 HA PHE 61 HA PHE 61 -8.393 -2.454 -3.587 1078 HD1 PHE 61 HD1 PHE 61 -5.595 -2.077 -4.624 1079 HD2 PHE 61 HD2 PHE 61 -6.594 0.356 -1.277 1080 HE1 PHE 61 HE1 PHE 61 -3.437 -2.631 -3.580 1081 HE2 PHE 61 HE2 PHE 61 -4.441 -0.196 -0.227 1082 HZ PHE 61 HZ PHE 61 -2.857 -1.689 -1.378 1083 HB2 PHE 61 HB2 PHE 61 -7.400 -0.480 -4.744 1084 HB3 PHE 61 HB1 PHE 61 -7.832 0.512 -3.357 1085 H SER 62 HN SER 62 -9.785 0.446 -2.066 1086 HA SER 62 HA SER 62 -8.929 -0.120 0.535 1087 HG SER 62 HG SER 62 -10.937 1.946 -1.603 1088 HB2 SER 62 HB2 SER 62 -10.853 1.461 1.175 1089 HB3 SER 62 HB1 SER 62 -9.588 2.094 0.124 1090 H ASN 63 HN ASN 63 -12.147 -0.680 -0.908 1091 HA ASN 63 HA ASN 63 -13.331 -1.909 1.278 1092 HB2 ASN 63 HB2 ASN 63 -13.801 -2.119 -1.674 1093 HB3 ASN 63 HB1 ASN 63 -14.680 -3.175 -0.572 1094 HD21 ASN 63 HD21 ASN 63 -15.689 -1.063 -2.299 1095 HD22 ASN 63 HD22 ASN 63 -16.491 0.063 -1.247 1096 H SER 64 HN SER 64 -11.418 -3.412 -1.311 1097 HA SER 64 HA SER 64 -11.669 -6.064 -0.335 1098 HG SER 64 HG SER 64 -11.287 -4.559 -3.141 1099 HB2 SER 64 HB2 SER 64 -9.433 -4.877 -2.003 1100 HB3 SER 64 HB1 SER 64 -9.813 -6.590 -1.838 1101 H LEU 65 HN LEU 65 -9.491 -3.414 0.334 1102 HA LEU 65 HA LEU 65 -7.542 -4.812 1.816 1103 HG LEU 65 HG LEU 65 -6.733 -2.707 3.829 1104 HB2 LEU 65 HB2 LEU 65 -7.351 -2.492 0.881 1105 HB3 LEU 65 HB1 LEU 65 -8.420 -1.943 2.156 1106 HD11 LEU 65 HD11 LEU 65 -5.617 -4.383 2.447 1107 HD12 LEU 65 HD12 LEU 65 -4.469 -3.187 3.049 1108 HD13 LEU 65 HD13 LEU 65 -5.027 -3.112 1.375 1109 HD21 LEU 65 HD21 LEU 65 -6.854 -0.378 3.132 1110 HD22 LEU 65 HD22 LEU 65 -5.789 -0.719 1.769 1111 HD23 LEU 65 HD23 LEU 65 -5.180 -0.856 3.419 1112 H ILE 66 HN ILE 66 -10.448 -3.022 2.821 1113 HA ILE 66 HA ILE 66 -10.245 -3.486 5.586 1114 HB ILE 66 HB ILE 66 -12.909 -3.404 4.182 1115 HG12 ILE 66 HG12 ILE 66 -11.651 -1.619 3.133 1116 HG13 ILE 66 HG11 ILE 66 -12.807 -0.927 4.264 1117 HG21 ILE 66 HG21 ILE 66 -13.594 -2.180 6.181 1118 HG22 ILE 66 HG22 ILE 66 -11.950 -2.285 6.809 1119 HG23 ILE 66 HG23 ILE 66 -12.905 -3.752 6.588 1120 HD11 ILE 66 HD11 ILE 66 -9.866 -1.303 4.773 1121 HD12 ILE 66 HD12 ILE 66 -11.027 -0.560 5.876 1122 HD13 ILE 66 HD13 ILE 66 -10.657 0.211 4.333 1123 H ASN 67 HN ASN 67 -11.779 -5.321 2.996 1124 HA ASN 67 HA ASN 67 -12.961 -7.312 4.595 1125 HB2 ASN 67 HB2 ASN 67 -13.618 -6.930 2.270 1126 HB3 ASN 67 HB1 ASN 67 -12.027 -7.443 1.720 1127 HD21 ASN 67 HD21 ASN 67 -15.078 -8.458 3.015 1128 HD22 ASN 67 HD22 ASN 67 -14.872 -10.147 2.722 1129 H ALA 68 HN ALA 68 -9.782 -7.104 3.050 1130 HA ALA 68 HA ALA 68 -8.930 -9.726 3.611 1131 HB1 ALA 68 HB1 ALA 68 -7.815 -8.226 2.005 1132 HB2 ALA 68 HB2 ALA 68 -6.690 -8.925 3.170 1133 HB3 ALA 68 HB3 ALA 68 -7.224 -7.254 3.353 1134 H VAL 69 HN VAL 69 -8.569 -6.705 5.421 1135 HA VAL 69 HA VAL 69 -7.165 -7.731 7.626 1136 HB VAL 69 HB VAL 69 -9.174 -5.469 7.512 1137 HG11 VAL 69 HG11 VAL 69 -7.151 -6.131 9.648 1138 HG12 VAL 69 HG12 VAL 69 -8.906 -6.229 9.802 1139 HG13 VAL 69 HG13 VAL 69 -8.127 -4.662 9.578 1140 HG21 VAL 69 HG21 VAL 69 -7.275 -5.124 6.038 1141 HG22 VAL 69 HG22 VAL 69 -6.161 -5.459 7.364 1142 HG23 VAL 69 HG23 VAL 69 -7.190 -4.027 7.416 1143 H LYS 70 HN LYS 70 -10.671 -7.310 7.132 1144 HA LYS 70 HA LYS 70 -11.554 -8.440 9.517 1145 HB2 LYS 70 HB2 LYS 70 -12.763 -8.204 6.788 1146 HB3 LYS 70 HB1 LYS 70 -13.593 -9.124 8.033 1147 HG2 LYS 70 HG2 LYS 70 -13.536 -7.117 9.484 1148 HG3 LYS 70 HG1 LYS 70 -12.846 -6.211 8.134 1149 HD2 LYS 70 HD2 LYS 70 -14.804 -6.540 6.815 1150 HD3 LYS 70 HD1 LYS 70 -15.457 -7.705 7.966 1151 HE2 LYS 70 HE2 LYS 70 -16.607 -5.619 8.241 1152 HE3 LYS 70 HE1 LYS 70 -15.588 -5.898 9.650 1153 HZ1 LYS 70 HZ1 LYS 70 -13.920 -4.403 8.637 1154 HZ2 LYS 70 HZ2 LYS 70 -15.391 -3.630 8.978 1155 HZ3 LYS 70 HZ3 LYS 70 -15.024 -4.063 7.383 1156 H THR 71 HN THR 71 -10.530 -9.996 6.541 1157 HA THR 71 HA THR 71 -11.432 -12.599 7.229 1158 HB THR 71 HB THR 71 -9.217 -11.835 5.313 1159 HG1 THR 71 HG1 THR 71 -11.274 -10.876 4.799 1160 HG21 THR 71 HG21 THR 71 -9.705 -13.991 4.258 1161 HG22 THR 71 HG22 THR 71 -10.901 -14.332 5.508 1162 HG23 THR 71 HG23 THR 71 -9.196 -14.206 5.933 1163 H ARG 72 HN ARG 72 -8.404 -10.852 7.749 1164 HA ARG 72 HA ARG 72 -7.046 -13.175 8.761 1165 HE ARG 72 HE ARG 72 -2.435 -12.849 9.383 1166 HB2 ARG 72 HB2 ARG 72 -5.897 -11.210 7.656 1167 HB3 ARG 72 HB1 ARG 72 -6.209 -10.293 9.125 1168 HG2 ARG 72 HG2 ARG 72 -4.863 -11.763 10.420 1169 HG3 ARG 72 HG1 ARG 72 -4.697 -12.889 9.077 1170 HD2 ARG 72 HD2 ARG 72 -3.579 -10.952 7.834 1171 HD3 ARG 72 HD1 ARG 72 -3.476 -10.164 9.409 1172 HH11 ARG 72 HH11 ARG 72 -1.657 -9.458 8.892 1173 HH12 ARG 72 HH12 ARG 72 0.057 -9.711 9.046 1174 HH21 ARG 72 HH21 ARG 72 -0.201 -13.161 9.628 1175 HH22 ARG 72 HH22 ARG 72 0.882 -11.807 9.503 1176 H LEU 73 HN LEU 73 -8.890 -10.534 10.091 1177 HA LEU 73 HA LEU 73 -8.285 -11.106 12.824 1178 HG LEU 73 HG LEU 73 -8.615 -8.864 13.891 1179 HB2 LEU 73 HB2 LEU 73 -10.203 -9.375 11.373 1180 HB3 LEU 73 HB1 LEU 73 -10.664 -9.854 12.993 1181 HD11 LEU 73 HD11 LEU 73 -7.160 -7.509 12.477 1182 HD12 LEU 73 HD12 LEU 73 -8.061 -8.025 11.052 1183 HD13 LEU 73 HD13 LEU 73 -7.140 -9.203 11.988 1184 HD21 LEU 73 HD21 LEU 73 -9.167 -6.521 13.479 1185 HD22 LEU 73 HD22 LEU 73 -10.620 -7.491 13.725 1186 HD23 LEU 73 HD23 LEU 73 -10.154 -6.995 12.098 1187 H GLU 74 HN GLU 74 -11.086 -11.809 10.745 1188 HA GLU 74 HA GLU 74 -12.606 -13.492 10.741 1189 HB2 GLU 74 HB2 GLU 74 -10.239 -14.687 11.413 1190 HB3 GLU 74 HB1 GLU 74 -11.258 -15.156 12.766 1191 HG2 GLU 74 HG2 GLU 74 -12.138 -15.541 9.930 1192 HG3 GLU 74 HG1 GLU 74 -11.121 -16.720 10.757 1193 H HIS 75 HN HIS 75 -14.076 -14.842 12.345 1194 HA HIS 75 HA HIS 75 -14.342 -13.691 14.974 1195 HD1 HIS 75 HD1 HIS 75 -18.520 -13.754 13.286 1196 HD2 HIS 75 HD2 HIS 75 -15.416 -12.318 10.914 1197 HE1 HIS 75 HE1 HIS 75 -19.394 -13.784 10.922 1198 HE2 HIS 75 HE2 HIS 75 -17.586 -12.673 9.557 1199 HB2 HIS 75 HB2 HIS 75 -16.617 -12.764 14.626 1200 HB3 HIS 75 HB1 HIS 75 -15.370 -11.887 13.749 1201 H HIS 76 HN HIS 76 -15.246 -16.003 12.571 1202 HA HIS 76 HA HIS 76 -16.994 -17.363 14.523 1203 HD1 HIS 76 HD1 HIS 76 -20.042 -17.815 13.102 1204 HD2 HIS 76 HD2 HIS 76 -17.179 -20.740 12.354 1205 HE1 HIS 76 HE1 HIS 76 -21.236 -20.012 13.343 1206 HE2 HIS 76 HE2 HIS 76 -19.448 -21.766 13.067 1207 HB2 HIS 76 HB2 HIS 76 -17.884 -16.871 12.190 1208 HB3 HIS 76 HB1 HIS 76 -16.691 -18.010 11.580 1209 H HIS 77 HN HIS 77 -14.887 -17.798 15.612 1210 HA HIS 77 HA HIS 77 -12.979 -19.463 14.221 1211 HD1 HIS 77 HD1 HIS 77 -11.798 -17.597 13.560 1212 HD2 HIS 77 HD2 HIS 77 -9.632 -18.722 16.935 1213 HE1 HIS 77 HE1 HIS 77 -9.377 -17.195 12.989 1214 HE2 HIS 77 HE2 HIS 77 -8.109 -17.710 15.108 1215 HB2 HIS 77 HB2 HIS 77 -12.931 -17.661 16.433 1216 HB3 HIS 77 HB1 HIS 77 -12.300 -19.215 16.965 1217 H HIS 78 HN HIS 78 -15.793 -20.272 15.538 1218 HA HIS 78 HA HIS 78 -14.973 -22.503 17.171 1219 HD1 HIS 78 HD1 HIS 78 -18.204 -24.578 16.004 1220 HD2 HIS 78 HD2 HIS 78 -17.166 -22.934 19.678 1221 HE1 HIS 78 HE1 HIS 78 -18.827 -26.302 17.720 1222 HE2 HIS 78 HE2 HIS 78 -18.393 -25.195 19.941 1223 HB2 HIS 78 HB2 HIS 78 -17.156 -21.272 17.457 1224 HB3 HIS 78 HB1 HIS 78 -17.695 -22.008 15.952 1225 H HIS 79 HN HIS 79 -14.040 -24.222 16.275 1226 HA HIS 79 HA HIS 79 -14.842 -24.993 13.555 1227 HD1 HIS 79 HD1 HIS 79 -13.060 -24.578 11.574 1228 HD2 HIS 79 HD2 HIS 79 -10.904 -23.373 14.921 1229 HE1 HIS 79 HE1 HIS 79 -11.722 -22.585 10.834 1230 HE2 HIS 79 HE2 HIS 79 -10.342 -21.933 12.839 1231 HB2 HIS 79 HB2 HIS 79 -12.362 -25.647 15.155 1232 HB3 HIS 79 HB1 HIS 79 -12.745 -26.400 13.612 1233 H HIS 80 HN HIS 80 -14.105 -27.651 13.538 1234 HA HIS 80 HA HIS 80 -16.171 -28.769 15.307 1235 HD1 HIS 80 HD1 HIS 80 -18.570 -30.125 13.551 1236 HD2 HIS 80 HD2 HIS 80 -16.074 -27.607 11.374 1237 HE1 HIS 80 HE1 HIS 80 -20.096 -28.729 12.117 1238 HE2 HIS 80 HE2 HIS 80 -18.550 -27.362 10.663 1239 HB2 HIS 80 HB2 HIS 80 -14.965 -29.832 12.746 1240 HB3 HIS 80 HB1 HIS 80 -16.106 -30.729 13.741 Start of MODEL 4 1 HA MET 1 HA MET 1 27.903 14.295 19.244 2 H1 MET 1 HT1 MET 1 25.734 13.604 21.133 3 H2 MET 1 HT2 MET 1 26.340 15.159 20.824 4 H3 MET 1 HT3 MET 1 27.325 13.999 21.568 5 HB2 MET 1 HB2 MET 1 26.599 11.630 19.855 6 HB3 MET 1 HB1 MET 1 27.760 11.918 18.570 7 HG2 MET 1 HG2 MET 1 28.278 12.151 21.525 8 HG3 MET 1 HG1 MET 1 28.829 10.861 20.461 9 HE1 MET 1 HE1 MET 1 30.683 11.198 18.553 10 HE2 MET 1 HE2 MET 1 31.372 12.768 18.150 11 HE3 MET 1 HE3 MET 1 29.662 12.454 17.852 12 H ALA 2 HN ALA 2 26.905 12.778 17.147 13 HA ALA 2 HA ALA 2 24.763 14.515 16.283 14 HB1 ALA 2 HB1 ALA 2 26.143 12.279 14.805 15 HB2 ALA 2 HB2 ALA 2 26.620 13.976 14.775 16 HB3 ALA 2 HB3 ALA 2 25.066 13.486 14.101 17 H GLN 3 HN GLN 3 22.772 13.791 15.427 18 HA GLN 3 HA GLN 3 21.427 11.860 16.968 19 HB2 GLN 3 HB2 GLN 3 19.557 12.206 15.401 20 HB3 GLN 3 HB1 GLN 3 20.262 13.731 15.925 21 HG2 GLN 3 HG2 GLN 3 21.485 13.907 13.832 22 HG3 GLN 3 HG1 GLN 3 20.834 12.357 13.308 23 HE21 GLN 3 HE21 GLN 3 18.932 14.717 15.056 24 HE22 GLN 3 HE22 GLN 3 17.913 15.155 13.724 25 H HIS 4 HN HIS 4 20.180 10.012 16.007 26 HA HIS 4 HA HIS 4 21.880 8.492 14.136 27 HD1 HIS 4 HD1 HIS 4 19.746 4.857 16.264 28 HD2 HIS 4 HD2 HIS 4 22.307 6.268 13.303 29 HE1 HIS 4 HE1 HIS 4 20.386 2.845 14.905 30 HE2 HIS 4 HE2 HIS 4 21.898 3.712 13.090 31 HB2 HIS 4 HB2 HIS 4 21.429 7.504 16.414 32 HB3 HIS 4 HB1 HIS 4 19.724 7.438 15.990 33 H SER 5 HN SER 5 19.678 10.588 13.849 34 HA SER 5 HA SER 5 18.147 11.152 12.298 35 HG SER 5 HG SER 5 20.445 9.516 10.712 36 HB2 SER 5 HB2 SER 5 18.662 8.399 11.164 37 HB3 SER 5 HB1 SER 5 17.661 9.630 10.396 38 H LYS 6 HN LYS 6 16.210 11.448 13.029 39 HA LYS 6 HA LYS 6 14.627 9.141 13.895 40 HB2 LYS 6 HB2 LYS 6 15.494 10.553 15.789 41 HB3 LYS 6 HB1 LYS 6 14.565 11.894 15.140 42 HG2 LYS 6 HG2 LYS 6 12.507 10.798 15.596 43 HG3 LYS 6 HG1 LYS 6 13.330 9.281 15.978 44 HD2 LYS 6 HD2 LYS 6 14.402 10.346 17.902 45 HD3 LYS 6 HD1 LYS 6 13.595 11.866 17.518 46 HE2 LYS 6 HE2 LYS 6 11.438 10.885 17.951 47 HE3 LYS 6 HE1 LYS 6 12.168 9.293 18.174 48 HZ1 LYS 6 HZ1 LYS 6 13.229 10.013 20.150 49 HZ2 LYS 6 HZ2 LYS 6 11.614 10.517 20.270 50 HZ3 LYS 6 HZ3 LYS 6 12.824 11.638 19.875 51 H TYR 7 HN TYR 7 13.873 9.125 11.799 52 HA TYR 7 HA TYR 7 12.242 9.380 10.253 53 HD1 TYR 7 HD1 TYR 7 10.131 8.265 10.617 54 HD2 TYR 7 HD2 TYR 7 10.457 10.712 14.084 55 HE1 TYR 7 HE1 TYR 7 9.057 6.505 11.952 56 HE2 TYR 7 HE2 TYR 7 9.384 8.955 15.429 57 HH TYR 7 HH TYR 7 7.816 7.016 15.009 58 HB2 TYR 7 HB2 TYR 7 11.173 11.555 12.065 59 HB3 TYR 7 HB1 TYR 7 10.358 10.956 10.624 60 H SER 8 HN SER 8 13.896 9.981 8.845 61 HA SER 8 HA SER 8 14.317 12.816 8.359 62 HG SER 8 HG SER 8 17.304 12.314 6.922 63 HB2 SER 8 HB2 SER 8 16.317 11.399 8.566 64 HB3 SER 8 HB1 SER 8 15.728 10.386 7.249 65 H ASP 9 HN ASP 9 13.105 13.774 6.888 66 HA ASP 9 HA ASP 9 11.407 12.418 5.090 67 HB2 ASP 9 HB2 ASP 9 11.000 14.594 4.093 68 HB3 ASP 9 HB1 ASP 9 11.072 14.776 5.843 69 H ALA 10 HN ALA 10 14.717 13.185 5.063 70 HA ALA 10 HA ALA 10 15.076 13.102 2.199 71 HB1 ALA 10 HB1 ALA 10 17.085 12.965 4.452 72 HB2 ALA 10 HB2 ALA 10 16.618 14.409 3.552 73 HB3 ALA 10 HB3 ALA 10 17.483 13.104 2.739 74 H GLN 11 HN GLN 11 15.507 10.976 4.982 75 HA GLN 11 HA GLN 11 16.447 8.771 3.404 76 HB2 GLN 11 HB2 GLN 11 15.304 8.897 6.190 77 HB3 GLN 11 HB1 GLN 11 15.902 7.417 5.449 78 HG2 GLN 11 HG2 GLN 11 18.107 8.498 5.182 79 HG3 GLN 11 HG1 GLN 11 17.484 9.903 6.049 80 HE21 GLN 11 HE21 GLN 11 18.929 9.691 7.721 81 HE22 GLN 11 HE22 GLN 11 18.818 8.420 8.890 82 H LEU 12 HN LEU 12 13.348 10.015 4.353 83 HA LEU 12 HA LEU 12 11.700 7.845 3.799 84 HG LEU 12 HG LEU 12 9.524 9.090 2.203 85 HB2 LEU 12 HB2 LEU 12 10.884 9.974 4.741 86 HB3 LEU 12 HB1 LEU 12 11.165 10.759 3.197 87 HD11 LEU 12 HD11 LEU 12 7.932 8.078 3.740 88 HD12 LEU 12 HD12 LEU 12 8.870 8.669 5.111 89 HD13 LEU 12 HD13 LEU 12 9.565 7.472 4.017 90 HD21 LEU 12 HD21 LEU 12 8.509 11.053 4.249 91 HD22 LEU 12 HD22 LEU 12 7.575 10.368 2.914 92 HD23 LEU 12 HD23 LEU 12 8.952 11.423 2.583 93 H SER 13 HN SER 13 12.589 10.506 1.577 94 HA SER 13 HA SER 13 11.513 9.404 -0.739 95 HG SER 13 HG SER 13 11.270 11.803 -0.539 96 HB2 SER 13 HB2 SER 13 14.021 11.088 -0.582 97 HB3 SER 13 HB1 SER 13 12.946 10.912 -1.970 98 H ALA 14 HN ALA 14 14.701 8.912 0.723 99 HA ALA 14 HA ALA 14 15.876 7.410 -1.324 100 HB1 ALA 14 HB1 ALA 14 16.316 7.147 1.649 101 HB2 ALA 14 HB2 ALA 14 17.133 8.287 0.580 102 HB3 ALA 14 HB3 ALA 14 17.393 6.554 0.386 103 H ILE 15 HN ILE 15 13.713 6.437 1.283 104 HA ILE 15 HA ILE 15 13.940 3.634 0.876 105 HB ILE 15 HB ILE 15 11.718 5.245 2.142 106 HG12 ILE 15 HG12 ILE 15 13.946 3.635 3.408 107 HG13 ILE 15 HG11 ILE 15 13.944 5.387 3.246 108 HG21 ILE 15 HG21 ILE 15 12.203 2.269 2.238 109 HG22 ILE 15 HG22 ILE 15 10.891 3.076 1.381 110 HG23 ILE 15 HG23 ILE 15 10.967 3.145 3.142 111 HD11 ILE 15 HD11 ILE 15 11.952 5.504 4.663 112 HD12 ILE 15 HD12 ILE 15 13.307 4.730 5.481 113 HD13 ILE 15 HD13 ILE 15 11.990 3.750 4.839 114 H VAL 16 HN VAL 16 11.492 6.018 -0.152 115 HA VAL 16 HA VAL 16 9.873 4.157 -1.522 116 HB VAL 16 HB VAL 16 9.772 6.818 -2.710 117 HG11 VAL 16 HG11 VAL 16 7.749 5.294 -1.074 118 HG12 VAL 16 HG12 VAL 16 8.002 5.094 -2.811 119 HG13 VAL 16 HG13 VAL 16 7.432 6.636 -2.175 120 HG21 VAL 16 HG21 VAL 16 9.387 6.618 0.274 121 HG22 VAL 16 HG22 VAL 16 8.937 7.996 -0.734 122 HG23 VAL 16 HG23 VAL 16 10.634 7.547 -0.560 123 H ASN 17 HN ASN 17 12.559 6.195 -2.545 124 HA ASN 17 HA ASN 17 12.382 5.710 -5.311 125 HB2 ASN 17 HB2 ASN 17 13.770 7.493 -4.178 126 HB3 ASN 17 HB1 ASN 17 14.916 6.233 -3.746 127 HD21 ASN 17 HD21 ASN 17 15.230 8.621 -5.426 128 HD22 ASN 17 HD22 ASN 17 15.786 8.052 -6.966 129 H ASP 18 HN ASP 18 14.256 4.065 -2.768 130 HA ASP 18 HA ASP 18 15.555 2.211 -4.396 131 HB2 ASP 18 HB2 ASP 18 16.185 2.626 -2.057 132 HB3 ASP 18 HB1 ASP 18 14.670 1.912 -1.518 133 H MET 19 HN MET 19 12.530 1.914 -2.552 134 HA MET 19 HA MET 19 11.904 -0.707 -3.206 135 HB2 MET 19 HB2 MET 19 10.692 0.615 -1.520 136 HB3 MET 19 HB1 MET 19 9.984 1.594 -2.798 137 HG2 MET 19 HG2 MET 19 8.762 -0.284 -3.642 138 HG3 MET 19 HG1 MET 19 9.572 -1.373 -2.519 139 HE1 MET 19 HE1 MET 19 8.128 -0.213 0.930 140 HE2 MET 19 HE2 MET 19 9.610 0.361 0.166 141 HE3 MET 19 HE3 MET 19 9.191 -1.351 0.100 142 H ILE 20 HN ILE 20 11.152 2.266 -4.990 143 HA ILE 20 HA ILE 20 9.711 0.953 -7.065 144 HB ILE 20 HB ILE 20 11.041 3.667 -7.039 145 HG12 ILE 20 HG12 ILE 20 8.138 2.887 -6.692 146 HG13 ILE 20 HG11 ILE 20 9.222 3.330 -5.378 147 HG21 ILE 20 HG21 ILE 20 9.052 2.527 -9.001 148 HG22 ILE 20 HG22 ILE 20 10.753 2.865 -9.324 149 HG23 ILE 20 HG23 ILE 20 9.640 4.190 -8.978 150 HD11 ILE 20 HD11 ILE 20 7.791 5.185 -5.976 151 HD12 ILE 20 HD12 ILE 20 8.356 5.112 -7.645 152 HD13 ILE 20 HD13 ILE 20 9.471 5.561 -6.354 153 H ALA 21 HN ALA 21 13.057 2.140 -6.803 154 HA ALA 21 HA ALA 21 13.845 1.526 -9.428 155 HB1 ALA 21 HB1 ALA 21 15.122 3.009 -7.960 156 HB2 ALA 21 HB2 ALA 21 16.133 1.717 -8.610 157 HB3 ALA 21 HB3 ALA 21 15.552 1.631 -6.947 158 H VAL 22 HN VAL 22 14.183 -0.341 -6.427 159 HA VAL 22 HA VAL 22 15.469 -2.583 -7.544 160 HB VAL 22 HB VAL 22 13.625 -2.490 -5.148 161 HG11 VAL 22 HG11 VAL 22 15.751 -4.486 -5.908 162 HG12 VAL 22 HG12 VAL 22 14.010 -4.763 -5.911 163 HG13 VAL 22 HG13 VAL 22 14.853 -4.472 -4.390 164 HG21 VAL 22 HG21 VAL 22 16.609 -2.078 -5.341 165 HG22 VAL 22 HG22 VAL 22 15.713 -2.269 -3.835 166 HG23 VAL 22 HG23 VAL 22 15.401 -0.874 -4.874 167 H LEU 23 HN LEU 23 12.071 -1.784 -7.086 168 HA LEU 23 HA LEU 23 10.950 -4.212 -7.935 169 HG LEU 23 HG LEU 23 8.477 -4.079 -8.322 170 HB2 LEU 23 HB2 LEU 23 9.757 -2.399 -6.742 171 HB3 LEU 23 HB1 LEU 23 9.836 -1.416 -8.187 172 HD11 LEU 23 HD11 LEU 23 7.267 -1.543 -7.223 173 HD12 LEU 23 HD12 LEU 23 7.565 -3.027 -6.319 174 HD13 LEU 23 HD13 LEU 23 6.379 -3.013 -7.625 175 HD21 LEU 23 HD21 LEU 23 7.102 -2.906 -9.967 176 HD22 LEU 23 HD22 LEU 23 8.814 -2.774 -10.371 177 HD23 LEU 23 HD23 LEU 23 7.973 -1.408 -9.638 178 H GLU 24 HN GLU 24 11.802 -1.280 -9.732 179 HA GLU 24 HA GLU 24 10.812 -2.185 -12.231 180 HB2 GLU 24 HB2 GLU 24 11.534 0.208 -11.321 181 HB3 GLU 24 HB1 GLU 24 13.056 -0.220 -12.086 182 HG2 GLU 24 HG2 GLU 24 10.373 -0.119 -13.451 183 HG3 GLU 24 HG1 GLU 24 11.625 1.116 -13.543 184 H LYS 25 HN LYS 25 13.937 -2.435 -10.620 185 HA LYS 25 HA LYS 25 15.382 -3.406 -12.851 186 HB2 LYS 25 HB2 LYS 25 15.854 -3.620 -9.884 187 HB3 LYS 25 HB1 LYS 25 16.944 -4.342 -11.060 188 HG2 LYS 25 HG2 LYS 25 17.224 -2.093 -12.087 189 HG3 LYS 25 HG1 LYS 25 16.265 -1.426 -10.765 190 HD2 LYS 25 HD2 LYS 25 17.890 -2.094 -9.151 191 HD3 LYS 25 HD1 LYS 25 18.782 -3.027 -10.357 192 HE2 LYS 25 HE2 LYS 25 19.208 -0.908 -11.587 193 HE3 LYS 25 HE1 LYS 25 18.448 -0.033 -10.259 194 HZ1 LYS 25 HZ1 LYS 25 20.788 -1.819 -9.907 195 HZ2 LYS 25 HZ2 LYS 25 20.146 -0.722 -8.779 196 HZ3 LYS 25 HZ3 LYS 25 20.921 -0.151 -10.176 197 H HIS 26 HN HIS 26 13.598 -5.052 -10.266 198 HA HIS 26 HA HIS 26 14.083 -7.673 -11.318 199 HD1 HIS 26 HD1 HIS 26 13.868 -9.857 -9.122 200 HD2 HIS 26 HD2 HIS 26 10.028 -8.670 -10.191 201 HE1 HIS 26 HE1 HIS 26 12.513 -11.975 -9.253 202 HE2 HIS 26 HE2 HIS 26 10.244 -11.241 -10.069 203 HB2 HIS 26 HB2 HIS 26 13.429 -7.291 -8.949 204 HB3 HIS 26 HB1 HIS 26 11.858 -6.706 -9.491 205 H LYS 27 HN LYS 27 11.929 -5.092 -11.899 206 HA LYS 27 HA LYS 27 10.552 -4.579 -13.576 207 HB2 LYS 27 HB2 LYS 27 12.270 -5.789 -14.968 208 HB3 LYS 27 HB1 LYS 27 11.222 -7.199 -14.899 209 HG2 LYS 27 HG2 LYS 27 9.561 -6.186 -16.168 210 HG3 LYS 27 HG1 LYS 27 10.170 -4.561 -15.844 211 HD2 LYS 27 HD2 LYS 27 11.501 -6.660 -17.557 212 HD3 LYS 27 HD1 LYS 27 10.651 -5.225 -18.137 213 HE2 LYS 27 HE2 LYS 27 13.170 -5.283 -16.476 214 HE3 LYS 27 HE1 LYS 27 13.050 -4.858 -18.182 215 HZ1 LYS 27 HZ1 LYS 27 11.645 -2.965 -17.528 216 HZ2 LYS 27 HZ2 LYS 27 13.195 -2.874 -16.859 217 HZ3 LYS 27 HZ3 LYS 27 11.883 -3.343 -15.898 218 H ALA 28 HN ALA 28 8.928 -4.727 -12.038 219 HA ALA 28 HA ALA 28 7.000 -6.866 -12.649 220 HB1 ALA 28 HB1 ALA 28 7.714 -6.959 -10.311 221 HB2 ALA 28 HB2 ALA 28 6.018 -6.493 -10.436 222 HB3 ALA 28 HB3 ALA 28 7.245 -5.272 -10.095 223 HA PRO 29 HA PRO 29 4.819 -3.429 -14.493 224 HB2 PRO 29 HB2 PRO 29 2.555 -5.269 -14.697 225 HB3 PRO 29 HB1 PRO 29 3.493 -4.508 -15.982 226 HG2 PRO 29 HG2 PRO 29 3.623 -7.155 -15.420 227 HG3 PRO 29 HG1 PRO 29 4.979 -6.243 -16.103 228 HD2 PRO 29 HD2 PRO 29 4.524 -7.172 -13.307 229 HD3 PRO 29 HD1 PRO 29 6.038 -7.052 -14.227 230 H VAL 30 HN VAL 30 2.770 -2.268 -14.115 231 HA VAL 30 HA VAL 30 2.366 -1.716 -11.416 232 HB VAL 30 HB VAL 30 0.469 -1.182 -13.708 233 HG11 VAL 30 HG11 VAL 30 -0.645 -0.945 -11.550 234 HG12 VAL 30 HG12 VAL 30 -0.410 0.629 -12.312 235 HG13 VAL 30 HG13 VAL 30 0.643 0.121 -10.991 236 HG21 VAL 30 HG21 VAL 30 2.666 -0.244 -14.125 237 HG22 VAL 30 HG22 VAL 30 2.671 0.513 -12.532 238 HG23 VAL 30 HG23 VAL 30 1.519 1.043 -13.758 239 H ASP 31 HN ASP 31 0.538 -3.816 -13.580 240 HA ASP 31 HA ASP 31 -1.555 -4.446 -11.811 241 HB2 ASP 31 HB2 ASP 31 -1.715 -6.545 -13.296 242 HB3 ASP 31 HB1 ASP 31 -1.942 -4.975 -14.058 243 H LEU 32 HN LEU 32 1.372 -6.337 -12.603 244 HA LEU 32 HA LEU 32 0.991 -8.324 -10.668 245 HG LEU 32 HG LEU 32 4.129 -8.617 -9.937 246 HB2 LEU 32 HB2 LEU 32 2.539 -8.601 -12.507 247 HB3 LEU 32 HB1 LEU 32 3.531 -7.283 -11.918 248 HD11 LEU 32 HD11 LEU 32 2.141 -9.974 -9.721 249 HD12 LEU 32 HD12 LEU 32 3.553 -11.018 -9.893 250 HD13 LEU 32 HD13 LEU 32 2.475 -10.761 -11.262 251 HD21 LEU 32 HD21 LEU 32 5.547 -8.698 -11.911 252 HD22 LEU 32 HD22 LEU 32 4.582 -10.019 -12.570 253 HD23 LEU 32 HD23 LEU 32 5.524 -10.263 -11.097 254 H SER 33 HN SER 33 2.759 -5.266 -10.516 255 HA SER 33 HA SER 33 3.803 -5.591 -7.920 256 HG SER 33 HG SER 33 3.669 -3.169 -6.954 257 HB2 SER 33 HB2 SER 33 4.655 -3.887 -9.453 258 HB3 SER 33 HB1 SER 33 3.102 -3.054 -9.418 259 H LEU 34 HN LEU 34 0.711 -4.397 -9.088 260 HA LEU 34 HA LEU 34 -0.198 -3.249 -6.677 261 HG LEU 34 HG LEU 34 -1.894 -1.727 -7.368 262 HB2 LEU 34 HB2 LEU 34 -1.102 -3.280 -9.212 263 HB3 LEU 34 HB1 LEU 34 -2.160 -4.496 -8.528 264 HD11 LEU 34 HD11 LEU 34 -2.663 -1.569 -9.682 265 HD12 LEU 34 HD12 LEU 34 -3.955 -1.172 -8.548 266 HD13 LEU 34 HD13 LEU 34 -3.930 -2.746 -9.343 267 HD21 LEU 34 HD21 LEU 34 -4.007 -3.859 -7.067 268 HD22 LEU 34 HD22 LEU 34 -4.042 -2.258 -6.329 269 HD23 LEU 34 HD23 LEU 34 -2.800 -3.419 -5.857 270 H ILE 35 HN ILE 35 -0.348 -6.506 -7.995 271 HA ILE 35 HA ILE 35 -2.074 -7.623 -6.062 272 HB ILE 35 HB ILE 35 0.130 -9.057 -7.553 273 HG12 ILE 35 HG12 ILE 35 -2.755 -8.666 -8.387 274 HG13 ILE 35 HG11 ILE 35 -1.408 -7.737 -9.035 275 HG21 ILE 35 HG21 ILE 35 -2.447 -10.040 -6.327 276 HG22 ILE 35 HG22 ILE 35 -0.816 -10.347 -5.726 277 HG23 ILE 35 HG23 ILE 35 -1.328 -11.020 -7.274 278 HD11 ILE 35 HD11 ILE 35 -0.414 -9.817 -9.884 279 HD12 ILE 35 HD12 ILE 35 -2.013 -9.499 -10.559 280 HD13 ILE 35 HD13 ILE 35 -1.816 -10.706 -9.287 281 H ALA 36 HN ALA 36 1.471 -7.456 -6.240 282 HA ALA 36 HA ALA 36 2.009 -8.773 -3.821 283 HB1 ALA 36 HB1 ALA 36 3.720 -8.474 -5.500 284 HB2 ALA 36 HB2 ALA 36 4.232 -7.702 -4.000 285 HB3 ALA 36 HB3 ALA 36 3.623 -6.721 -5.334 286 H LEU 37 HN LEU 37 1.782 -5.315 -4.614 287 HA LEU 37 HA LEU 37 2.319 -4.366 -2.023 288 HG LEU 37 HG LEU 37 0.690 -1.804 -1.999 289 HB2 LEU 37 HB2 LEU 37 2.423 -3.040 -4.141 290 HB3 LEU 37 HB1 LEU 37 0.670 -3.019 -4.163 291 HD11 LEU 37 HD11 LEU 37 2.779 -0.823 -1.208 292 HD12 LEU 37 HD12 LEU 37 3.668 -1.690 -2.460 293 HD13 LEU 37 HD13 LEU 37 2.853 -2.585 -1.178 294 HD21 LEU 37 HD21 LEU 37 0.520 -0.605 -4.133 295 HD22 LEU 37 HD22 LEU 37 2.278 -0.479 -4.197 296 HD23 LEU 37 HD23 LEU 37 1.381 0.338 -2.918 297 H GLY 38 HN GLY 38 -0.699 -5.172 -3.667 298 HA2 GLY 38 HA2 GLY 38 -2.487 -4.294 -1.681 299 HA3 GLY 38 HA1 GLY 38 -2.816 -5.549 -2.869 300 H ASN 39 HN ASN 39 -1.024 -7.501 -2.219 301 HA ASN 39 HA ASN 39 -2.196 -8.750 0.014 302 HB2 ASN 39 HB2 ASN 39 -0.947 -9.877 -1.893 303 HB3 ASN 39 HB1 ASN 39 0.543 -9.388 -1.095 304 HD21 ASN 39 HD21 ASN 39 1.243 -11.450 -0.648 305 HD22 ASN 39 HD22 ASN 39 0.457 -12.495 0.485 306 H MET 40 HN MET 40 0.889 -7.051 -0.381 307 HA MET 40 HA MET 40 1.883 -7.441 2.208 308 HB2 MET 40 HB2 MET 40 3.215 -6.588 0.301 309 HB3 MET 40 HB1 MET 40 2.337 -5.066 0.388 310 HG2 MET 40 HG2 MET 40 3.224 -4.665 2.619 311 HG3 MET 40 HG1 MET 40 4.080 -6.206 2.563 312 HE1 MET 40 HE1 MET 40 6.349 -4.988 3.187 313 HE2 MET 40 HE2 MET 40 5.525 -3.430 3.242 314 HE3 MET 40 HE3 MET 40 7.004 -3.614 2.298 315 H ALA 41 HN ALA 41 -0.192 -4.891 0.895 316 HA ALA 41 HA ALA 41 -0.363 -3.270 3.156 317 HB1 ALA 41 HB1 ALA 41 -2.445 -2.427 2.188 318 HB2 ALA 41 HB2 ALA 41 -2.481 -3.790 1.070 319 HB3 ALA 41 HB3 ALA 41 -1.191 -2.594 0.960 320 H SER 42 HN SER 42 -2.429 -6.030 2.195 321 HA SER 42 HA SER 42 -4.095 -5.828 4.477 322 HG SER 42 HG SER 42 -2.579 -8.015 2.276 323 HB2 SER 42 HB2 SER 42 -4.874 -8.104 3.866 324 HB3 SER 42 HB1 SER 42 -4.879 -6.992 2.499 325 H ASN 43 HN ASN 43 -1.171 -7.716 3.808 326 HA ASN 43 HA ASN 43 -1.058 -9.150 6.223 327 HB2 ASN 43 HB2 ASN 43 0.993 -8.247 4.233 328 HB3 ASN 43 HB1 ASN 43 1.531 -8.924 5.765 329 HD21 ASN 43 HD21 ASN 43 1.291 -11.084 6.163 330 HD22 ASN 43 HD22 ASN 43 0.796 -12.214 4.938 331 H LEU 44 HN LEU 44 0.152 -5.970 5.331 332 HA LEU 44 HA LEU 44 1.469 -5.247 7.665 333 HG LEU 44 HG LEU 44 0.312 -2.283 7.764 334 HB2 LEU 44 HB2 LEU 44 1.608 -3.963 5.624 335 HB3 LEU 44 HB1 LEU 44 -0.104 -3.598 5.685 336 HD11 LEU 44 HD11 LEU 44 2.613 -1.616 8.262 337 HD12 LEU 44 HD12 LEU 44 3.199 -2.749 7.044 338 HD13 LEU 44 HD13 LEU 44 2.370 -3.349 8.481 339 HD21 LEU 44 HD21 LEU 44 0.095 -1.198 5.615 340 HD22 LEU 44 HD22 LEU 44 1.804 -1.468 5.279 341 HD23 LEU 44 HD23 LEU 44 1.323 -0.379 6.581 342 H LEU 45 HN LEU 45 -1.911 -4.621 6.760 343 HA LEU 45 HA LEU 45 -2.627 -3.313 9.143 344 HG LEU 45 HG LEU 45 -3.181 -2.926 6.143 345 HB2 LEU 45 HB2 LEU 45 -4.354 -4.845 7.196 346 HB3 LEU 45 HB1 LEU 45 -4.956 -3.762 8.438 347 HD11 LEU 45 HD11 LEU 45 -5.182 -1.877 5.228 348 HD12 LEU 45 HD12 LEU 45 -6.144 -2.541 6.550 349 HD13 LEU 45 HD13 LEU 45 -5.394 -3.622 5.376 350 HD21 LEU 45 HD21 LEU 45 -3.761 -0.655 6.841 351 HD22 LEU 45 HD22 LEU 45 -2.923 -1.526 8.126 352 HD23 LEU 45 HD23 LEU 45 -4.671 -1.303 8.205 353 H THR 46 HN THR 46 -2.456 -6.694 8.318 354 HA THR 46 HA THR 46 -3.991 -7.434 10.690 355 HB THR 46 HB THR 46 -3.687 -9.788 9.807 356 HG1 THR 46 HG1 THR 46 -2.942 -8.549 7.367 357 HG21 THR 46 HG21 THR 46 -5.350 -9.512 8.023 358 HG22 THR 46 HG22 THR 46 -5.027 -7.778 7.992 359 HG23 THR 46 HG23 THR 46 -5.740 -8.518 9.427 360 H THR 47 HN THR 47 -1.070 -6.368 10.547 361 HA THR 47 HA THR 47 -0.055 -8.333 12.468 362 HB THR 47 HB THR 47 1.686 -7.220 10.261 363 HG1 THR 47 HG1 THR 47 0.272 -8.698 9.330 364 HG21 THR 47 HG21 THR 47 3.280 -8.921 11.024 365 HG22 THR 47 HG22 THR 47 2.165 -9.392 12.306 366 HG23 THR 47 HG23 THR 47 2.890 -7.784 12.314 367 H SER 48 HN SER 48 0.419 -5.111 11.009 368 HA SER 48 HA SER 48 2.157 -4.358 13.207 369 HG SER 48 HG SER 48 3.562 -3.334 10.210 370 HB2 SER 48 HB2 SER 48 1.300 -2.784 10.774 371 HB3 SER 48 HB1 SER 48 2.568 -2.327 11.911 372 H VAL 49 HN VAL 49 -0.876 -3.067 11.794 373 HA VAL 49 HA VAL 49 -1.049 -1.103 13.893 374 HB VAL 49 HB VAL 49 -3.137 -0.383 12.839 375 HG11 VAL 49 HG11 VAL 49 -0.905 -0.867 10.871 376 HG12 VAL 49 HG12 VAL 49 -1.042 0.493 11.988 377 HG13 VAL 49 HG13 VAL 49 -2.209 0.306 10.678 378 HG21 VAL 49 HG21 VAL 49 -4.031 -2.517 12.140 379 HG22 VAL 49 HG22 VAL 49 -2.712 -2.722 10.986 380 HG23 VAL 49 HG23 VAL 49 -3.898 -1.438 10.750 381 HA PRO 50 HA PRO 50 -3.440 -3.169 16.966 382 HB2 PRO 50 HB2 PRO 50 -5.374 -1.169 17.354 383 HB3 PRO 50 HB1 PRO 50 -3.842 -1.326 18.217 384 HG2 PRO 50 HG2 PRO 50 -4.546 0.410 15.903 385 HG3 PRO 50 HG1 PRO 50 -3.440 0.722 17.253 386 HD2 PRO 50 HD2 PRO 50 -2.526 0.115 14.806 387 HD3 PRO 50 HD1 PRO 50 -1.707 -0.465 16.273 388 H GLN 51 HN GLN 51 -5.035 -4.605 16.926 389 HA GLN 51 HA GLN 51 -6.345 -5.031 14.436 390 HB2 GLN 51 HB2 GLN 51 -6.703 -6.474 17.067 391 HB3 GLN 51 HB1 GLN 51 -7.212 -7.063 15.489 392 HG2 GLN 51 HG2 GLN 51 -4.903 -7.177 14.759 393 HG3 GLN 51 HG1 GLN 51 -4.367 -6.513 16.301 394 HE21 GLN 51 HE21 GLN 51 -3.679 -9.047 15.050 395 HE22 GLN 51 HE22 GLN 51 -4.145 -10.287 16.172 396 H THR 52 HN THR 52 -7.311 -3.583 17.432 397 HA THR 52 HA THR 52 -10.113 -3.945 17.182 398 HB THR 52 HB THR 52 -8.721 -1.700 18.647 399 HG1 THR 52 HG1 THR 52 -9.049 -4.453 19.259 400 HG21 THR 52 HG21 THR 52 -11.341 -3.119 19.138 401 HG22 THR 52 HG22 THR 52 -11.158 -1.505 18.451 402 HG23 THR 52 HG23 THR 52 -10.670 -1.816 20.119 403 H GLN 53 HN GLN 53 -7.901 -1.780 15.692 404 HA GLN 53 HA GLN 53 -10.125 -0.227 14.559 405 HB2 GLN 53 HB2 GLN 53 -8.594 1.780 14.647 406 HB3 GLN 53 HB1 GLN 53 -9.170 1.221 16.212 407 HG2 GLN 53 HG2 GLN 53 -7.016 -0.010 16.476 408 HG3 GLN 53 HG1 GLN 53 -6.456 0.767 14.997 409 HE21 GLN 53 HE21 GLN 53 -5.939 2.932 15.024 410 HE22 GLN 53 HE22 GLN 53 -5.719 3.818 16.494 411 H CYS 54 HN CYS 54 -8.602 -2.516 13.653 412 HA CYS 54 HA CYS 54 -6.481 -1.843 11.949 413 HG CYS 54 HG CYS 54 -5.137 -4.472 10.880 414 HB2 CYS 54 HB2 CYS 54 -6.951 -4.130 12.755 415 HB3 CYS 54 HB1 CYS 54 -8.386 -4.182 11.737 416 H GLU 55 HN GLU 55 -9.916 -2.449 11.159 417 HA GLU 55 HA GLU 55 -9.457 -1.654 8.418 418 HB2 GLU 55 HB2 GLU 55 -11.767 -2.159 8.015 419 HB3 GLU 55 HB1 GLU 55 -11.091 -3.442 9.004 420 HG2 GLU 55 HG2 GLU 55 -12.647 -1.160 10.174 421 HG3 GLU 55 HG1 GLU 55 -13.417 -2.628 9.579 422 H ALA 56 HN ALA 56 -10.543 -0.224 11.361 423 HA ALA 56 HA ALA 56 -11.851 2.050 10.358 424 HB1 ALA 56 HB1 ALA 56 -11.920 1.415 12.724 425 HB2 ALA 56 HB2 ALA 56 -11.363 3.075 12.522 426 HB3 ALA 56 HB3 ALA 56 -10.205 1.794 12.878 427 H LEU 57 HN LEU 57 -8.439 1.394 11.036 428 HA LEU 57 HA LEU 57 -7.544 3.982 10.222 429 HG LEU 57 HG LEU 57 -5.434 4.284 11.614 430 HB2 LEU 57 HB2 LEU 57 -6.277 1.441 11.044 431 HB3 LEU 57 HB1 LEU 57 -5.317 2.481 10.009 432 HD11 LEU 57 HD11 LEU 57 -7.181 2.447 13.244 433 HD12 LEU 57 HD12 LEU 57 -7.689 3.936 12.448 434 HD13 LEU 57 HD13 LEU 57 -6.539 3.998 13.784 435 HD21 LEU 57 HD21 LEU 57 -3.693 2.580 11.907 436 HD22 LEU 57 HD22 LEU 57 -4.764 1.685 12.986 437 HD23 LEU 57 HD23 LEU 57 -4.191 3.287 13.443 438 H ALA 58 HN ALA 58 -7.953 0.881 8.609 439 HA ALA 58 HA ALA 58 -6.658 1.564 6.193 440 HB1 ALA 58 HB1 ALA 58 -8.968 -0.334 6.613 441 HB2 ALA 58 HB2 ALA 58 -7.260 -0.741 6.777 442 HB3 ALA 58 HB3 ALA 58 -7.909 -0.280 5.203 443 H GLN 59 HN GLN 59 -9.982 1.960 7.319 444 HA GLN 59 HA GLN 59 -10.989 3.131 4.936 445 HB2 GLN 59 HB2 GLN 59 -12.337 2.120 6.829 446 HB3 GLN 59 HB1 GLN 59 -12.013 3.588 7.740 447 HG2 GLN 59 HG2 GLN 59 -14.185 3.745 6.758 448 HG3 GLN 59 HG1 GLN 59 -13.114 4.894 5.958 449 HE21 GLN 59 HE21 GLN 59 -14.825 1.871 5.648 450 HE22 GLN 59 HE22 GLN 59 -14.737 1.776 3.919 451 H ALA 60 HN ALA 60 -9.440 4.403 7.832 452 HA ALA 60 HA ALA 60 -9.814 7.149 7.245 453 HB1 ALA 60 HB1 ALA 60 -8.081 7.564 8.896 454 HB2 ALA 60 HB2 ALA 60 -7.610 5.865 8.860 455 HB3 ALA 60 HB3 ALA 60 -9.195 6.327 9.479 456 H PHE 61 HN PHE 61 -7.189 4.871 6.538 457 HA PHE 61 HA PHE 61 -5.403 6.626 5.301 458 HD1 PHE 61 HD2 PHE 61 -2.808 5.651 5.147 459 HD2 PHE 61 HD1 PHE 61 -5.253 3.439 2.454 460 HE1 PHE 61 HE2 PHE 61 -1.000 5.688 3.482 461 HE2 PHE 61 HE1 PHE 61 -3.447 3.475 0.783 462 HZ PHE 61 HZ PHE 61 -1.317 4.602 1.295 463 HB2 PHE 61 HB2 PHE 61 -4.814 4.323 5.901 464 HB3 PHE 61 HB1 PHE 61 -5.928 3.707 4.686 465 H SER 62 HN SER 62 -8.016 4.690 3.867 466 HA SER 62 HA SER 62 -7.553 5.521 1.227 467 HG SER 62 HG SER 62 -9.577 3.490 3.400 468 HB2 SER 62 HB2 SER 62 -10.053 4.821 0.980 469 HB3 SER 62 HB1 SER 62 -8.842 3.600 1.372 470 H ASN 63 HN ASN 63 -9.818 6.771 3.680 471 HA ASN 63 HA ASN 63 -10.942 8.766 2.041 472 HB2 ASN 63 HB2 ASN 63 -10.784 8.364 5.000 473 HB3 ASN 63 HB1 ASN 63 -11.344 9.912 4.376 474 HD21 ASN 63 HD21 ASN 63 -12.027 6.506 4.638 475 HD22 ASN 63 HD22 ASN 63 -13.682 6.610 4.143 476 H SER 64 HN SER 64 -8.145 8.835 4.205 477 HA SER 64 HA SER 64 -7.498 11.559 3.801 478 HG SER 64 HG SER 64 -5.461 11.897 5.459 479 HB2 SER 64 HB2 SER 64 -6.568 10.045 5.600 480 HB3 SER 64 HB1 SER 64 -5.553 9.309 4.360 481 H LEU 65 HN LEU 65 -6.767 8.606 2.067 482 HA LEU 65 HA LEU 65 -4.910 9.641 0.219 483 HG LEU 65 HG LEU 65 -5.384 7.944 -2.187 484 HB2 LEU 65 HB2 LEU 65 -5.456 7.213 0.742 485 HB3 LEU 65 HB1 LEU 65 -6.868 7.408 -0.277 486 HD11 LEU 65 HD11 LEU 65 -3.477 8.807 -0.950 487 HD12 LEU 65 HD12 LEU 65 -2.985 7.458 -1.974 488 HD13 LEU 65 HD13 LEU 65 -3.197 7.217 -0.237 489 HD21 LEU 65 HD21 LEU 65 -4.562 5.654 -2.501 490 HD22 LEU 65 HD22 LEU 65 -6.206 5.682 -1.864 491 HD23 LEU 65 HD23 LEU 65 -4.851 5.324 -0.792 492 H ILE 66 HN ILE 66 -8.438 9.391 0.195 493 HA ILE 66 HA ILE 66 -8.982 10.286 -2.388 494 HB ILE 66 HB ILE 66 -10.591 11.012 0.073 495 HG12 ILE 66 HG12 ILE 66 -10.232 8.610 0.075 496 HG13 ILE 66 HG11 ILE 66 -11.896 8.953 -0.385 497 HG21 ILE 66 HG21 ILE 66 -11.370 10.730 -2.823 498 HG22 ILE 66 HG22 ILE 66 -11.301 12.222 -1.885 499 HG23 ILE 66 HG23 ILE 66 -12.499 10.988 -1.494 500 HD11 ILE 66 HD11 ILE 66 -10.921 7.164 -1.719 501 HD12 ILE 66 HD12 ILE 66 -9.668 8.270 -2.282 502 HD13 ILE 66 HD13 ILE 66 -11.353 8.558 -2.713 503 H ASN 67 HN ASN 67 -8.419 12.115 0.584 504 HA ASN 67 HA ASN 67 -8.733 14.688 -0.557 505 HB2 ASN 67 HB2 ASN 67 -7.407 13.690 1.949 506 HB3 ASN 67 HB1 ASN 67 -7.312 15.386 1.492 507 HD21 ASN 67 HD21 ASN 67 -9.384 12.814 2.583 508 HD22 ASN 67 HD22 ASN 67 -10.734 13.813 2.999 509 H ALA 68 HN ALA 68 -5.942 12.574 -0.140 510 HA ALA 68 HA ALA 68 -3.964 14.415 -0.945 511 HB1 ALA 68 HB1 ALA 68 -3.947 11.410 -1.204 512 HB2 ALA 68 HB2 ALA 68 -3.446 12.321 0.219 513 HB3 ALA 68 HB3 ALA 68 -2.538 12.467 -1.286 514 H VAL 69 HN VAL 69 -5.787 11.974 -2.763 515 HA VAL 69 HA VAL 69 -4.659 12.485 -5.289 516 HB VAL 69 HB VAL 69 -7.417 11.450 -4.598 517 HG11 VAL 69 HG11 VAL 69 -7.492 10.577 -6.879 518 HG12 VAL 69 HG12 VAL 69 -5.946 11.348 -7.232 519 HG13 VAL 69 HG13 VAL 69 -7.362 12.336 -6.876 520 HG21 VAL 69 HG21 VAL 69 -4.875 10.003 -5.344 521 HG22 VAL 69 HG22 VAL 69 -6.444 9.248 -5.056 522 HG23 VAL 69 HG23 VAL 69 -5.603 10.065 -3.738 523 H LYS 70 HN LYS 70 -7.389 13.919 -3.594 524 HA LYS 70 HA LYS 70 -8.478 15.443 -5.650 525 HB2 LYS 70 HB2 LYS 70 -9.569 15.125 -3.486 526 HB3 LYS 70 HB1 LYS 70 -8.321 16.078 -2.699 527 HG2 LYS 70 HG2 LYS 70 -9.068 18.075 -3.706 528 HG3 LYS 70 HG1 LYS 70 -10.084 17.201 -4.856 529 HD2 LYS 70 HD2 LYS 70 -10.495 17.289 -1.865 530 HD3 LYS 70 HD1 LYS 70 -11.407 18.224 -3.052 531 HE2 LYS 70 HE2 LYS 70 -12.177 16.121 -4.082 532 HE3 LYS 70 HE1 LYS 70 -11.305 15.214 -2.848 533 HZ1 LYS 70 HZ1 LYS 70 -13.642 15.405 -2.310 534 HZ2 LYS 70 HZ2 LYS 70 -13.547 17.094 -2.354 535 HZ3 LYS 70 HZ3 LYS 70 -12.707 16.233 -1.161 536 H THR 71 HN THR 71 -5.811 16.214 -3.443 537 HA THR 71 HA THR 71 -5.434 18.854 -4.428 538 HB THR 71 HB THR 71 -3.401 17.103 -3.022 539 HG1 THR 71 HG1 THR 71 -5.497 18.772 -2.038 540 HG21 THR 71 HG21 THR 71 -2.486 19.253 -2.246 541 HG22 THR 71 HG22 THR 71 -3.683 20.107 -3.220 542 HG23 THR 71 HG23 THR 71 -2.444 19.126 -4.004 543 H ARG 72 HN ARG 72 -4.137 15.706 -5.332 544 HA ARG 72 HA ARG 72 -2.151 16.652 -7.127 545 HE ARG 72 HE ARG 72 0.189 14.130 -7.064 546 HB2 ARG 72 HB2 ARG 72 -1.957 14.403 -6.383 547 HB3 ARG 72 HB1 ARG 72 -3.601 14.017 -6.863 548 HG2 ARG 72 HG2 ARG 72 -2.116 12.985 -8.409 549 HG3 ARG 72 HG1 ARG 72 -2.916 14.320 -9.236 550 HD2 ARG 72 HD2 ARG 72 -0.659 14.447 -9.883 551 HD3 ARG 72 HD1 ARG 72 -0.869 15.707 -8.670 552 HH11 ARG 72 HH11 ARG 72 0.691 13.700 -10.506 553 HH12 ARG 72 HH12 ARG 72 2.225 12.911 -10.327 554 HH21 ARG 72 HH21 ARG 72 2.215 13.084 -6.812 555 HH22 ARG 72 HH22 ARG 72 3.099 12.566 -8.220 556 H LEU 73 HN LEU 73 -5.554 15.844 -7.467 557 HA LEU 73 HA LEU 73 -5.583 16.192 -10.318 558 HG LEU 73 HG LEU 73 -8.627 16.921 -10.525 559 HB2 LEU 73 HB2 LEU 73 -7.139 14.680 -9.145 560 HB3 LEU 73 HB1 LEU 73 -7.865 16.060 -8.341 561 HD11 LEU 73 HD11 LEU 73 -6.863 15.945 -11.907 562 HD12 LEU 73 HD12 LEU 73 -8.466 15.522 -12.509 563 HD13 LEU 73 HD13 LEU 73 -7.522 14.337 -11.609 564 HD21 LEU 73 HD21 LEU 73 -9.437 14.065 -9.990 565 HD22 LEU 73 HD22 LEU 73 -10.363 15.257 -10.903 566 HD23 LEU 73 HD23 LEU 73 -10.088 15.489 -9.176 567 H GLU 74 HN GLU 74 -6.689 18.100 -7.532 568 HA GLU 74 HA GLU 74 -7.282 20.328 -9.338 569 HB2 GLU 74 HB2 GLU 74 -7.994 19.904 -6.430 570 HB3 GLU 74 HB1 GLU 74 -8.462 21.303 -7.389 571 HG2 GLU 74 HG2 GLU 74 -9.799 19.942 -8.833 572 HG3 GLU 74 HG1 GLU 74 -9.211 18.473 -8.058 573 H HIS 75 HN HIS 75 -5.370 21.297 -9.760 574 HA HIS 75 HA HIS 75 -3.740 22.148 -7.470 575 HD1 HIS 75 HD1 HIS 75 -1.559 21.128 -7.003 576 HD2 HIS 75 HD2 HIS 75 -2.005 19.503 -10.804 577 HE1 HIS 75 HE1 HIS 75 -0.384 18.914 -6.932 578 HE2 HIS 75 HE2 HIS 75 -0.444 18.081 -9.308 579 HB2 HIS 75 HB2 HIS 75 -3.116 21.912 -10.411 580 HB3 HIS 75 HB1 HIS 75 -2.094 22.832 -9.317 581 H HIS 76 HN HIS 76 -3.790 24.184 -6.831 582 HA HIS 76 HA HIS 76 -5.244 26.165 -8.398 583 HD1 HIS 76 HD1 HIS 76 -7.443 27.363 -6.922 584 HD2 HIS 76 HD2 HIS 76 -3.987 29.292 -5.634 585 HE1 HIS 76 HE1 HIS 76 -8.058 29.789 -6.706 586 HE2 HIS 76 HE2 HIS 76 -6.025 30.886 -5.697 587 HB2 HIS 76 HB2 HIS 76 -5.520 25.798 -5.871 588 HB3 HIS 76 HB1 HIS 76 -3.943 26.555 -5.693 589 H HIS 77 HN HIS 77 -2.671 25.140 -9.301 590 HA HIS 77 HA HIS 77 -0.773 27.295 -8.819 591 HD1 HIS 77 HD1 HIS 77 2.108 26.736 -8.511 592 HD2 HIS 77 HD2 HIS 77 1.272 25.301 -12.325 593 HE1 HIS 77 HE1 HIS 77 4.161 27.213 -9.887 594 HE2 HIS 77 HE2 HIS 77 3.537 26.540 -12.237 595 HB2 HIS 77 HB2 HIS 77 0.069 25.011 -8.702 596 HB3 HIS 77 HB1 HIS 77 -0.504 24.685 -10.331 597 H HIS 78 HN HIS 78 -2.207 28.819 -9.917 598 HA HIS 78 HA HIS 78 -1.125 29.658 -12.300 599 HD1 HIS 78 HD1 HIS 78 -3.862 26.189 -12.184 600 HD2 HIS 78 HD2 HIS 78 -5.569 29.830 -13.248 601 HE1 HIS 78 HE1 HIS 78 -6.336 25.905 -11.847 602 HE2 HIS 78 HE2 HIS 78 -7.345 28.016 -12.781 603 HB2 HIS 78 HB2 HIS 78 -2.895 29.313 -13.957 604 HB3 HIS 78 HB1 HIS 78 -2.258 27.774 -13.403 605 H HIS 79 HN HIS 79 -1.950 31.680 -12.957 606 HA HIS 79 HA HIS 79 -3.832 32.841 -10.999 607 HD1 HIS 79 HD1 HIS 79 -2.667 35.236 -8.971 608 HD2 HIS 79 HD2 HIS 79 -2.851 36.463 -12.945 609 HE1 HIS 79 HE1 HIS 79 -3.572 37.584 -8.921 610 HE2 HIS 79 HE2 HIS 79 -3.907 38.196 -11.344 611 HB2 HIS 79 HB2 HIS 79 -1.551 33.618 -10.570 612 HB3 HIS 79 HB1 HIS 79 -1.379 34.111 -12.250 613 H HIS 80 HN HIS 80 -5.457 34.107 -11.772 614 HA HIS 80 HA HIS 80 -5.447 34.644 -14.662 615 HD1 HIS 80 HD1 HIS 80 -7.469 32.450 -11.528 616 HD2 HIS 80 HD2 HIS 80 -9.596 35.746 -12.915 617 HE1 HIS 80 HE1 HIS 80 -9.173 32.954 -9.752 618 HE2 HIS 80 HE2 HIS 80 -10.570 34.830 -10.697 619 HB2 HIS 80 HB2 HIS 80 -7.885 34.481 -14.672 620 HB3 HIS 80 HB1 HIS 80 -7.166 32.987 -14.094 621 HA MET 1 HA MET 1 4.120 -10.493 -24.852 622 H1 MET 1 HT1 MET 1 3.155 -8.587 -23.777 623 H2 MET 1 HT2 MET 1 2.662 -8.670 -25.396 624 H3 MET 1 HT3 MET 1 3.841 -7.546 -24.926 625 HB2 MET 1 HB2 MET 1 5.743 -10.206 -26.657 626 HB3 MET 1 HB1 MET 1 4.160 -9.613 -27.138 627 HG2 MET 1 HG2 MET 1 4.869 -7.332 -26.803 628 HG3 MET 1 HG1 MET 1 6.426 -7.876 -26.183 629 HE1 MET 1 HE1 MET 1 7.584 -6.199 -27.938 630 HE2 MET 1 HE2 MET 1 6.001 -5.737 -28.565 631 HE3 MET 1 HE3 MET 1 7.275 -6.246 -29.674 632 H ALA 2 HN ALA 2 4.808 -7.773 -23.179 633 HA ALA 2 HA ALA 2 7.618 -8.215 -22.712 634 HB1 ALA 2 HB1 ALA 2 6.616 -5.974 -22.510 635 HB2 ALA 2 HB2 ALA 2 7.414 -6.483 -21.022 636 HB3 ALA 2 HB3 ALA 2 5.656 -6.540 -21.143 637 H GLN 3 HN GLN 3 4.733 -9.598 -21.655 638 HA GLN 3 HA GLN 3 5.612 -10.409 -19.040 639 HB2 GLN 3 HB2 GLN 3 3.328 -11.596 -20.621 640 HB3 GLN 3 HB1 GLN 3 3.542 -11.585 -18.878 641 HG2 GLN 3 HG2 GLN 3 1.997 -9.945 -19.057 642 HG3 GLN 3 HG1 GLN 3 3.449 -8.966 -19.252 643 HE21 GLN 3 HE21 GLN 3 0.726 -8.481 -20.186 644 HE22 GLN 3 HE22 GLN 3 0.830 -8.322 -21.907 645 H HIS 4 HN HIS 4 7.388 -11.688 -19.096 646 HA HIS 4 HA HIS 4 7.193 -14.134 -20.731 647 HD1 HIS 4 HD1 HIS 4 10.489 -11.137 -21.635 648 HD2 HIS 4 HD2 HIS 4 7.904 -14.059 -23.079 649 HE1 HIS 4 HE1 HIS 4 10.159 -10.615 -24.075 650 HE2 HIS 4 HE2 HIS 4 8.447 -12.284 -24.876 651 HB2 HIS 4 HB2 HIS 4 9.636 -12.607 -19.830 652 HB3 HIS 4 HB1 HIS 4 9.714 -14.246 -20.468 653 H SER 5 HN SER 5 6.772 -13.008 -17.734 654 HA SER 5 HA SER 5 7.844 -15.321 -16.343 655 HG SER 5 HG SER 5 6.683 -11.877 -16.007 656 HB2 SER 5 HB2 SER 5 6.764 -14.151 -14.344 657 HB3 SER 5 HB1 SER 5 8.090 -13.294 -15.128 658 H LYS 6 HN LYS 6 6.221 -16.415 -14.765 659 HA LYS 6 HA LYS 6 3.796 -16.952 -16.348 660 HB2 LYS 6 HB2 LYS 6 5.394 -18.827 -14.611 661 HB3 LYS 6 HB1 LYS 6 3.874 -19.243 -15.399 662 HG2 LYS 6 HG2 LYS 6 4.950 -18.640 -17.576 663 HG3 LYS 6 HG1 LYS 6 6.475 -18.508 -16.707 664 HD2 LYS 6 HD2 LYS 6 6.391 -20.827 -16.097 665 HD3 LYS 6 HD1 LYS 6 4.766 -20.989 -16.771 666 HE2 LYS 6 HE2 LYS 6 7.308 -20.401 -18.286 667 HE3 LYS 6 HE1 LYS 6 6.370 -21.895 -18.332 668 HZ1 LYS 6 HZ1 LYS 6 5.902 -20.527 -20.259 669 HZ2 LYS 6 HZ2 LYS 6 5.448 -19.226 -19.268 670 HZ3 LYS 6 HZ3 LYS 6 4.518 -20.644 -19.283 671 H TYR 7 HN TYR 7 4.637 -15.350 -13.695 672 HA TYR 7 HA TYR 7 3.458 -14.462 -11.980 673 HD1 TYR 7 HD1 TYR 7 2.147 -12.145 -12.392 674 HD2 TYR 7 HD2 TYR 7 1.587 -14.671 -15.765 675 HE1 TYR 7 HE1 TYR 7 2.513 -10.223 -13.879 676 HE2 TYR 7 HE2 TYR 7 1.953 -12.756 -17.267 677 HH TYR 7 HH TYR 7 1.775 -10.293 -17.180 678 HB2 TYR 7 HB2 TYR 7 1.127 -15.492 -13.606 679 HB3 TYR 7 HB1 TYR 7 0.981 -14.390 -12.240 680 H SER 8 HN SER 8 4.492 -17.003 -11.461 681 HA SER 8 HA SER 8 2.556 -18.684 -10.258 682 HG SER 8 HG SER 8 6.591 -19.003 -10.026 683 HB2 SER 8 HB2 SER 8 4.535 -19.781 -9.184 684 HB3 SER 8 HB1 SER 8 4.644 -19.663 -10.940 685 H ASP 9 HN ASP 9 2.206 -19.080 -7.999 686 HA ASP 9 HA ASP 9 2.056 -16.731 -6.417 687 HB2 ASP 9 HB2 ASP 9 1.268 -18.119 -4.634 688 HB3 ASP 9 HB1 ASP 9 0.610 -18.788 -6.121 689 H ALA 10 HN ALA 10 4.447 -19.141 -6.950 690 HA ALA 10 HA ALA 10 6.211 -18.451 -4.834 691 HB1 ALA 10 HB1 ALA 10 6.379 -20.571 -6.061 692 HB2 ALA 10 HB2 ALA 10 7.894 -19.668 -6.105 693 HB3 ALA 10 HB3 ALA 10 6.835 -19.685 -7.517 694 H GLN 11 HN GLN 11 5.700 -17.297 -8.154 695 HA GLN 11 HA GLN 11 7.991 -15.583 -8.173 696 HB2 GLN 11 HB2 GLN 11 6.870 -16.285 -10.246 697 HB3 GLN 11 HB1 GLN 11 5.428 -15.397 -9.774 698 HG2 GLN 11 HG2 GLN 11 6.765 -13.308 -9.817 699 HG3 GLN 11 HG1 GLN 11 8.129 -14.241 -10.431 700 HE21 GLN 11 HE21 GLN 11 6.671 -12.035 -11.655 701 HE22 GLN 11 HE22 GLN 11 6.086 -12.633 -13.169 702 H LEU 12 HN LEU 12 4.544 -15.042 -7.558 703 HA LEU 12 HA LEU 12 4.651 -12.303 -7.056 704 HG LEU 12 HG LEU 12 2.714 -12.189 -4.625 705 HB2 LEU 12 HB2 LEU 12 2.552 -13.524 -7.331 706 HB3 LEU 12 HB1 LEU 12 2.831 -14.375 -5.823 707 HD11 LEU 12 HD11 LEU 12 3.321 -10.747 -6.511 708 HD12 LEU 12 HD12 LEU 12 1.804 -10.252 -5.765 709 HD13 LEU 12 HD13 LEU 12 1.788 -11.133 -7.292 710 HD21 LEU 12 HD21 LEU 12 0.772 -13.651 -4.735 711 HD22 LEU 12 HD22 LEU 12 0.293 -12.919 -6.265 712 HD23 LEU 12 HD23 LEU 12 0.287 -11.954 -4.786 713 H SER 13 HN SER 13 4.865 -15.006 -4.760 714 HA SER 13 HA SER 13 5.102 -13.458 -2.453 715 HG SER 13 HG SER 13 5.536 -16.839 -3.853 716 HB2 SER 13 HB2 SER 13 6.128 -15.529 -1.442 717 HB3 SER 13 HB1 SER 13 4.570 -15.779 -2.231 718 H ALA 14 HN ALA 14 7.595 -14.648 -4.667 719 HA ALA 14 HA ALA 14 9.838 -13.916 -3.163 720 HB1 ALA 14 HB1 ALA 14 11.066 -13.974 -5.262 721 HB2 ALA 14 HB2 ALA 14 9.551 -13.933 -6.164 722 HB3 ALA 14 HB3 ALA 14 9.943 -15.331 -5.160 723 H ILE 15 HN ILE 15 7.822 -12.053 -5.382 724 HA ILE 15 HA ILE 15 9.466 -9.727 -5.364 725 HB ILE 15 HB ILE 15 6.538 -10.023 -6.054 726 HG12 ILE 15 HG12 ILE 15 9.022 -9.910 -7.780 727 HG13 ILE 15 HG11 ILE 15 8.021 -11.330 -7.495 728 HG21 ILE 15 HG21 ILE 15 6.760 -7.868 -7.191 729 HG22 ILE 15 HG22 ILE 15 8.413 -7.719 -6.592 730 HG23 ILE 15 HG23 ILE 15 7.060 -7.717 -5.460 731 HD11 ILE 15 HD11 ILE 15 7.573 -10.372 -9.671 732 HD12 ILE 15 HD12 ILE 15 7.172 -8.823 -8.928 733 HD13 ILE 15 HD13 ILE 15 6.155 -10.233 -8.630 734 H VAL 16 HN VAL 16 6.504 -10.615 -3.572 735 HA VAL 16 HA VAL 16 6.356 -8.156 -2.150 736 HB VAL 16 HB VAL 16 5.299 -10.586 -0.806 737 HG11 VAL 16 HG11 VAL 16 3.397 -9.152 -0.399 738 HG12 VAL 16 HG12 VAL 16 4.033 -7.941 -1.513 739 HG13 VAL 16 HG13 VAL 16 4.882 -8.286 -0.003 740 HG21 VAL 16 HG21 VAL 16 4.885 -11.150 -3.138 741 HG22 VAL 16 HG22 VAL 16 4.130 -9.576 -3.394 742 HG23 VAL 16 HG23 VAL 16 3.379 -10.749 -2.311 743 H ASN 17 HN ASN 17 7.900 -11.248 -1.535 744 HA ASN 17 HA ASN 17 8.773 -10.793 1.110 745 HB2 ASN 17 HB2 ASN 17 8.772 -12.984 -0.189 746 HB3 ASN 17 HB1 ASN 17 10.214 -12.408 -1.010 747 HD21 ASN 17 HD21 ASN 17 9.840 -14.747 0.648 748 HD22 ASN 17 HD22 ASN 17 10.967 -14.611 1.950 749 H ASP 18 HN ASP 18 9.992 -9.796 -2.016 750 HA ASP 18 HA ASP 18 12.565 -9.000 -1.132 751 HB2 ASP 18 HB2 ASP 18 11.724 -9.496 -3.550 752 HB3 ASP 18 HB1 ASP 18 11.157 -7.830 -3.519 753 H MET 19 HN MET 19 9.446 -7.445 -1.645 754 HA MET 19 HA MET 19 10.148 -4.815 -0.983 755 HB2 MET 19 HB2 MET 19 7.538 -6.283 -0.564 756 HB3 MET 19 HB1 MET 19 7.736 -4.546 -0.390 757 HG2 MET 19 HG2 MET 19 8.314 -4.344 -2.729 758 HG3 MET 19 HG1 MET 19 8.233 -6.095 -2.922 759 HE1 MET 19 HE1 MET 19 5.102 -4.761 -4.915 760 HE2 MET 19 HE2 MET 19 6.588 -5.706 -5.012 761 HE3 MET 19 HE3 MET 19 6.668 -3.965 -4.754 762 H ILE 20 HN ILE 20 9.116 -7.521 1.057 763 HA ILE 20 HA ILE 20 9.144 -6.174 3.522 764 HB ILE 20 HB ILE 20 9.811 -9.072 2.964 765 HG12 ILE 20 HG12 ILE 20 7.191 -7.781 3.767 766 HG13 ILE 20 HG11 ILE 20 7.579 -8.363 2.152 767 HG21 ILE 20 HG21 ILE 20 9.216 -9.467 5.303 768 HG22 ILE 20 HG22 ILE 20 8.982 -7.736 5.539 769 HG23 ILE 20 HG23 ILE 20 10.587 -8.367 5.166 770 HD11 ILE 20 HD11 ILE 20 6.178 -9.945 3.327 771 HD12 ILE 20 HD12 ILE 20 7.351 -10.046 4.640 772 HD13 ILE 20 HD13 ILE 20 7.771 -10.639 3.032 773 H ALA 21 HN ALA 21 11.687 -7.860 1.735 774 HA ALA 21 HA ALA 21 13.747 -7.440 3.631 775 HB1 ALA 21 HB1 ALA 21 13.903 -9.140 1.886 776 HB2 ALA 21 HB2 ALA 21 15.274 -8.033 1.820 777 HB3 ALA 21 HB3 ALA 21 13.959 -7.879 0.655 778 H VAL 22 HN VAL 22 12.408 -5.485 1.061 779 HA VAL 22 HA VAL 22 14.430 -3.506 0.954 780 HB VAL 22 HB VAL 22 11.464 -3.175 0.432 781 HG11 VAL 22 HG11 VAL 22 12.587 -1.042 0.741 782 HG12 VAL 22 HG12 VAL 22 12.109 -1.259 -0.942 783 HG13 VAL 22 HG13 VAL 22 13.793 -1.486 -0.467 784 HG21 VAL 22 HG21 VAL 22 13.707 -3.952 -1.426 785 HG22 VAL 22 HG22 VAL 22 12.114 -3.433 -1.967 786 HG23 VAL 22 HG23 VAL 22 12.279 -4.908 -1.008 787 H LEU 23 HN LEU 23 11.478 -3.847 2.859 788 HA LEU 23 HA LEU 23 11.634 -1.438 4.286 789 HG LEU 23 HG LEU 23 10.650 -2.617 7.063 790 HB2 LEU 23 HB2 LEU 23 9.626 -2.822 4.228 791 HB3 LEU 23 HB1 LEU 23 10.457 -4.101 5.093 792 HD11 LEU 23 HD11 LEU 23 8.966 -0.734 5.421 793 HD12 LEU 23 HD12 LEU 23 10.641 -0.475 5.907 794 HD13 LEU 23 HD13 LEU 23 9.369 -0.538 7.126 795 HD21 LEU 23 HD21 LEU 23 8.768 -4.173 6.844 796 HD22 LEU 23 HD22 LEU 23 7.834 -2.923 6.024 797 HD23 LEU 23 HD23 LEU 23 8.304 -2.708 7.710 798 H GLU 24 HN GLU 24 12.938 -4.653 4.969 799 HA GLU 24 HA GLU 24 14.066 -3.910 7.489 800 HB2 GLU 24 HB2 GLU 24 13.418 -6.245 6.833 801 HB3 GLU 24 HB1 GLU 24 14.795 -6.269 5.742 802 HG2 GLU 24 HG2 GLU 24 15.389 -7.408 7.751 803 HG3 GLU 24 HG1 GLU 24 16.284 -5.892 7.677 804 H LYS 25 HN LYS 25 15.088 -3.680 4.202 805 HA LYS 25 HA LYS 25 17.865 -3.682 4.439 806 HB2 LYS 25 HB2 LYS 25 16.699 -3.694 2.279 807 HB3 LYS 25 HB1 LYS 25 16.130 -2.056 2.568 808 HG2 LYS 25 HG2 LYS 25 18.553 -1.360 2.655 809 HG3 LYS 25 HG1 LYS 25 18.945 -2.972 2.059 810 HD2 LYS 25 HD2 LYS 25 17.176 -0.955 0.676 811 HD3 LYS 25 HD1 LYS 25 18.840 -1.340 0.238 812 HE2 LYS 25 HE2 LYS 25 18.146 -3.669 -0.207 813 HE3 LYS 25 HE1 LYS 25 16.481 -3.216 0.154 814 HZ1 LYS 25 HZ1 LYS 25 18.144 -2.091 -2.039 815 HZ2 LYS 25 HZ2 LYS 25 16.541 -1.643 -1.691 816 HZ3 LYS 25 HZ3 LYS 25 16.893 -3.219 -2.222 817 H HIS 26 HN HIS 26 15.618 -0.925 4.557 818 HA HIS 26 HA HIS 26 17.806 0.789 5.456 819 HD1 HIS 26 HD1 HIS 26 17.813 3.417 3.461 820 HD2 HIS 26 HD2 HIS 26 15.349 3.703 6.802 821 HE1 HIS 26 HE1 HIS 26 18.190 5.726 4.391 822 HE2 HIS 26 HE2 HIS 26 16.865 5.783 6.534 823 HB2 HIS 26 HB2 HIS 26 16.171 1.504 3.654 824 HB3 HIS 26 HB1 HIS 26 14.944 1.593 4.911 825 H LYS 27 HN LYS 27 15.253 -1.038 6.713 826 HA LYS 27 HA LYS 27 14.214 -1.227 8.702 827 HB2 LYS 27 HB2 LYS 27 16.735 0.149 9.562 828 HB3 LYS 27 HB1 LYS 27 15.445 -0.153 10.719 829 HG2 LYS 27 HG2 LYS 27 15.554 -2.571 10.049 830 HG3 LYS 27 HG1 LYS 27 17.020 -2.174 9.150 831 HD2 LYS 27 HD2 LYS 27 18.205 -1.636 11.090 832 HD3 LYS 27 HD1 LYS 27 16.732 -1.447 12.043 833 HE2 LYS 27 HE2 LYS 27 17.846 -4.035 10.967 834 HE3 LYS 27 HE1 LYS 27 17.874 -3.505 12.648 835 HZ1 LYS 27 HZ1 LYS 27 15.508 -4.243 11.017 836 HZ2 LYS 27 HZ2 LYS 27 15.379 -3.434 12.502 837 HZ3 LYS 27 HZ3 LYS 27 16.068 -4.986 12.439 838 H ALA 28 HN ALA 28 12.413 -0.098 8.145 839 HA ALA 28 HA ALA 28 12.273 2.642 9.205 840 HB1 ALA 28 HB1 ALA 28 12.153 2.687 6.776 841 HB2 ALA 28 HB2 ALA 28 10.601 3.141 7.480 842 HB3 ALA 28 HB3 ALA 28 10.825 1.526 6.806 843 HA PRO 29 HA PRO 29 9.199 0.795 11.902 844 HB2 PRO 29 HB2 PRO 29 8.304 3.227 12.852 845 HB3 PRO 29 HB1 PRO 29 9.683 2.343 13.513 846 HG2 PRO 29 HG2 PRO 29 9.640 4.629 11.589 847 HG3 PRO 29 HG1 PRO 29 10.751 4.318 12.935 848 HD2 PRO 29 HD2 PRO 29 11.454 3.839 10.384 849 HD3 PRO 29 HD1 PRO 29 12.004 2.796 11.713 850 H VAL 30 HN VAL 30 6.834 1.036 12.155 851 HA VAL 30 HA VAL 30 5.620 0.997 9.615 852 HB VAL 30 HB VAL 30 3.497 0.681 10.751 853 HG11 VAL 30 HG11 VAL 30 4.080 -1.291 12.107 854 HG12 VAL 30 HG12 VAL 30 5.770 -0.783 12.083 855 HG13 VAL 30 HG13 VAL 30 4.964 -1.234 10.581 856 HG21 VAL 30 HG21 VAL 30 3.724 2.341 12.511 857 HG22 VAL 30 HG22 VAL 30 4.983 1.374 13.281 858 HG23 VAL 30 HG23 VAL 30 3.330 0.762 13.194 859 H ASP 31 HN ASP 31 6.207 3.596 11.756 860 HA ASP 31 HA ASP 31 4.187 5.351 10.738 861 HB2 ASP 31 HB2 ASP 31 6.778 6.054 12.142 862 HB3 ASP 31 HB1 ASP 31 5.369 7.095 11.961 863 H LEU 32 HN LEU 32 7.728 5.265 10.361 864 HA LEU 32 HA LEU 32 7.846 7.207 8.326 865 HG LEU 32 HG LEU 32 10.370 6.224 6.826 866 HB2 LEU 32 HB2 LEU 32 9.748 6.506 9.773 867 HB3 LEU 32 HB1 LEU 32 9.814 4.988 8.902 868 HD11 LEU 32 HD11 LEU 32 9.315 8.351 7.341 869 HD12 LEU 32 HD12 LEU 32 11.026 8.579 6.979 870 HD13 LEU 32 HD13 LEU 32 10.466 8.623 8.650 871 HD21 LEU 32 HD21 LEU 32 12.146 5.306 8.235 872 HD22 LEU 32 HD22 LEU 32 12.197 6.807 9.158 873 HD23 LEU 32 HD23 LEU 32 12.657 6.803 7.455 874 H SER 33 HN SER 33 7.666 3.682 8.242 875 HA SER 33 HA SER 33 8.001 3.380 5.455 876 HG SER 33 HG SER 33 6.639 1.411 4.824 877 HB2 SER 33 HB2 SER 33 8.254 1.506 7.030 878 HB3 SER 33 HB1 SER 33 6.539 1.598 7.421 879 H LEU 34 HN LEU 34 5.198 4.035 7.472 880 HA LEU 34 HA LEU 34 3.232 3.494 5.508 881 HG LEU 34 HG LEU 34 1.011 5.281 6.256 882 HB2 LEU 34 HB2 LEU 34 2.900 3.722 8.020 883 HB3 LEU 34 HB1 LEU 34 2.971 5.456 7.777 884 HD11 LEU 34 HD11 LEU 34 0.956 2.426 7.232 885 HD12 LEU 34 HD12 LEU 34 1.293 2.954 5.584 886 HD13 LEU 34 HD13 LEU 34 -0.304 3.216 6.282 887 HD21 LEU 34 HD21 LEU 34 -0.635 4.929 8.031 888 HD22 LEU 34 HD22 LEU 34 0.723 5.903 8.596 889 HD23 LEU 34 HD23 LEU 34 0.609 4.200 9.045 890 H ILE 35 HN ILE 35 5.081 6.361 6.377 891 HA ILE 35 HA ILE 35 3.658 8.192 4.769 892 HB ILE 35 HB ILE 35 6.605 8.357 5.426 893 HG12 ILE 35 HG12 ILE 35 4.248 9.306 7.079 894 HG13 ILE 35 HG11 ILE 35 5.259 7.918 7.465 895 HG21 ILE 35 HG21 ILE 35 6.209 10.776 5.303 896 HG22 ILE 35 HG22 ILE 35 4.525 10.474 4.872 897 HG23 ILE 35 HG23 ILE 35 5.818 9.974 3.782 898 HD11 ILE 35 HD11 ILE 35 7.186 9.389 7.722 899 HD12 ILE 35 HD12 ILE 35 5.866 9.859 8.792 900 HD13 ILE 35 HD13 ILE 35 6.179 10.780 7.322 901 H ALA 36 HN ALA 36 6.537 6.204 4.112 902 HA ALA 36 HA ALA 36 6.928 7.050 1.457 903 HB1 ALA 36 HB1 ALA 36 8.285 5.034 1.209 904 HB2 ALA 36 HB2 ALA 36 7.635 4.402 2.722 905 HB3 ALA 36 HB3 ALA 36 8.640 5.850 2.730 906 H LEU 37 HN LEU 37 5.143 4.328 2.845 907 HA LEU 37 HA LEU 37 4.282 3.165 0.445 908 HG LEU 37 HG LEU 37 1.449 2.292 1.340 909 HB2 LEU 37 HB2 LEU 37 4.155 2.096 2.666 910 HB3 LEU 37 HB1 LEU 37 2.894 3.224 3.124 911 HD11 LEU 37 HD11 LEU 37 3.179 1.481 -0.159 912 HD12 LEU 37 HD12 LEU 37 2.077 0.178 0.286 913 HD13 LEU 37 HD13 LEU 37 3.672 0.279 1.032 914 HD21 LEU 37 HD21 LEU 37 1.269 1.482 3.635 915 HD22 LEU 37 HD22 LEU 37 2.496 0.259 3.306 916 HD23 LEU 37 HD23 LEU 37 0.941 0.198 2.474 917 H GLY 38 HN GLY 38 2.735 5.587 2.538 918 HA2 GLY 38 HA2 GLY 38 0.393 5.925 1.022 919 HA3 GLY 38 HA1 GLY 38 1.088 7.127 2.100 920 H ASN 39 HN ASN 39 3.495 7.650 0.876 921 HA ASN 39 HA ASN 39 2.837 9.447 -1.165 922 HB2 ASN 39 HB2 ASN 39 4.910 9.438 0.293 923 HB3 ASN 39 HB1 ASN 39 5.544 8.163 -0.738 924 HD21 ASN 39 HD21 ASN 39 6.530 10.864 -0.194 925 HD22 ASN 39 HD22 ASN 39 6.678 11.630 -1.736 926 H MET 40 HN MET 40 4.256 6.189 -1.337 927 HA MET 40 HA MET 40 4.545 6.132 -4.146 928 HB2 MET 40 HB2 MET 40 5.752 4.617 -2.622 929 HB3 MET 40 HB1 MET 40 4.237 3.818 -2.225 930 HG2 MET 40 HG2 MET 40 4.003 3.093 -4.538 931 HG3 MET 40 HG1 MET 40 5.509 3.910 -4.953 932 HE1 MET 40 HE1 MET 40 6.407 1.641 -6.025 933 HE2 MET 40 HE2 MET 40 4.918 0.805 -5.582 934 HE3 MET 40 HE3 MET 40 6.481 0.110 -5.153 935 H ALA 41 HN ALA 41 2.001 4.862 -2.011 936 HA ALA 41 HA ALA 41 0.381 3.697 -3.965 937 HB1 ALA 41 HB1 ALA 41 -0.497 5.028 -1.399 938 HB2 ALA 41 HB2 ALA 41 0.055 3.360 -1.556 939 HB3 ALA 41 HB3 ALA 41 -1.436 3.875 -2.345 940 H SER 42 HN SER 42 0.335 6.997 -2.655 941 HA SER 42 HA SER 42 -1.792 7.989 -4.165 942 HG SER 42 HG SER 42 -0.275 8.608 -1.462 943 HB2 SER 42 HB2 SER 42 0.676 9.492 -3.247 944 HB3 SER 42 HB1 SER 42 -0.863 10.213 -3.715 945 H ASN 43 HN ASN 43 1.699 7.975 -4.892 946 HA ASN 43 HA ASN 43 1.523 9.376 -7.316 947 HB2 ASN 43 HB2 ASN 43 3.553 7.519 -6.143 948 HB3 ASN 43 HB1 ASN 43 3.715 8.027 -7.821 949 HD21 ASN 43 HD21 ASN 43 2.335 10.050 -5.332 950 HD22 ASN 43 HD22 ASN 43 3.623 11.202 -5.283 951 H LEU 44 HN LEU 44 1.392 5.888 -6.678 952 HA LEU 44 HA LEU 44 1.380 5.105 -9.391 953 HG LEU 44 HG LEU 44 2.651 3.964 -6.713 954 HB2 LEU 44 HB2 LEU 44 0.265 3.691 -6.972 955 HB3 LEU 44 HB1 LEU 44 0.481 2.956 -8.551 956 HD11 LEU 44 HD11 LEU 44 1.731 1.831 -6.049 957 HD12 LEU 44 HD12 LEU 44 3.345 1.607 -6.726 958 HD13 LEU 44 HD13 LEU 44 1.921 1.211 -7.689 959 HD21 LEU 44 HD21 LEU 44 4.230 3.215 -8.398 960 HD22 LEU 44 HD22 LEU 44 3.168 4.460 -9.061 961 HD23 LEU 44 HD23 LEU 44 2.902 2.764 -9.469 962 H LEU 45 HN LEU 45 -1.259 5.680 -7.098 963 HA LEU 45 HA LEU 45 -3.287 4.897 -8.955 964 HG LEU 45 HG LEU 45 -2.634 4.104 -6.057 965 HB2 LEU 45 HB2 LEU 45 -3.469 6.409 -6.351 966 HB3 LEU 45 HB1 LEU 45 -4.843 5.783 -7.245 967 HD11 LEU 45 HD11 LEU 45 -4.368 3.366 -4.480 968 HD12 LEU 45 HD12 LEU 45 -5.465 4.576 -5.147 969 HD13 LEU 45 HD13 LEU 45 -3.992 5.081 -4.319 970 HD21 LEU 45 HD21 LEU 45 -3.577 3.083 -8.039 971 HD22 LEU 45 HD22 LEU 45 -5.209 3.337 -7.420 972 HD23 LEU 45 HD23 LEU 45 -4.117 2.222 -6.598 973 H THR 46 HN THR 46 -1.478 7.766 -8.596 974 HA THR 46 HA THR 46 -3.615 9.334 -9.867 975 HB THR 46 HB THR 46 -2.091 11.304 -9.467 976 HG1 THR 46 HG1 THR 46 -0.729 9.621 -7.642 977 HG21 THR 46 HG21 THR 46 -2.587 11.426 -7.053 978 HG22 THR 46 HG22 THR 46 -2.988 9.709 -7.062 979 HG23 THR 46 HG23 THR 46 -3.967 10.848 -7.986 980 H THR 47 HN THR 47 -1.306 7.343 -10.874 981 HA THR 47 HA THR 47 -0.823 8.924 -13.305 982 HB THR 47 HB THR 47 1.375 7.702 -13.515 983 HG1 THR 47 HG1 THR 47 1.229 7.280 -10.721 984 HG21 THR 47 HG21 THR 47 1.090 9.502 -11.103 985 HG22 THR 47 HG22 THR 47 1.232 10.051 -12.774 986 HG23 THR 47 HG23 THR 47 2.572 9.195 -12.010 987 H SER 48 HN SER 48 -0.969 5.644 -11.935 988 HA SER 48 HA SER 48 -0.891 4.415 -14.520 989 HG SER 48 HG SER 48 0.563 4.128 -11.956 990 HB2 SER 48 HB2 SER 48 -1.545 3.225 -11.818 991 HB3 SER 48 HB1 SER 48 -1.179 2.315 -13.286 992 H VAL 49 HN VAL 49 -3.449 4.952 -12.103 993 HA VAL 49 HA VAL 49 -5.392 3.875 -14.014 994 HB VAL 49 HB VAL 49 -6.996 3.854 -12.153 995 HG11 VAL 49 HG11 VAL 49 -5.653 1.877 -12.563 996 HG12 VAL 49 HG12 VAL 49 -5.941 2.074 -10.835 997 HG13 VAL 49 HG13 VAL 49 -4.377 2.507 -11.522 998 HG21 VAL 49 HG21 VAL 49 -6.144 5.748 -10.878 999 HG22 VAL 49 HG22 VAL 49 -4.697 4.825 -10.468 1000 HG23 VAL 49 HG23 VAL 49 -6.272 4.307 -9.869 1001 HA PRO 50 HA PRO 50 -6.998 7.742 -15.251 1002 HB2 PRO 50 HB2 PRO 50 -9.720 7.375 -15.017 1003 HB3 PRO 50 HB1 PRO 50 -8.738 6.788 -16.365 1004 HG2 PRO 50 HG2 PRO 50 -9.717 5.322 -13.950 1005 HG3 PRO 50 HG1 PRO 50 -9.618 4.771 -15.633 1006 HD2 PRO 50 HD2 PRO 50 -7.810 4.018 -13.796 1007 HD3 PRO 50 HD1 PRO 50 -7.349 4.326 -15.484 1008 H GLN 51 HN GLN 51 -7.127 9.650 -14.285 1009 HA GLN 51 HA GLN 51 -7.457 9.862 -11.479 1010 HB2 GLN 51 HB2 GLN 51 -7.476 12.403 -12.056 1011 HB3 GLN 51 HB1 GLN 51 -6.016 11.457 -12.292 1012 HG2 GLN 51 HG2 GLN 51 -6.320 12.924 -14.159 1013 HG3 GLN 51 HG1 GLN 51 -6.556 11.262 -14.687 1014 HE21 GLN 51 HE21 GLN 51 -8.076 14.320 -14.084 1015 HE22 GLN 51 HE22 GLN 51 -9.560 13.978 -14.901 1016 H THR 52 HN THR 52 -9.762 9.751 -13.928 1017 HA THR 52 HA THR 52 -11.743 11.344 -12.552 1018 HB THR 52 HB THR 52 -11.713 11.245 -15.015 1019 HG1 THR 52 HG1 THR 52 -13.910 10.589 -13.469 1020 HG21 THR 52 HG21 THR 52 -12.505 8.352 -14.652 1021 HG22 THR 52 HG22 THR 52 -10.960 8.929 -15.280 1022 HG23 THR 52 HG23 THR 52 -12.446 9.223 -16.184 1023 H GLN 53 HN GLN 53 -10.528 8.221 -12.292 1024 HA GLN 53 HA GLN 53 -12.953 7.304 -10.887 1025 HB2 GLN 53 HB2 GLN 53 -12.692 6.146 -13.059 1026 HB3 GLN 53 HB1 GLN 53 -11.078 5.638 -12.590 1027 HG2 GLN 53 HG2 GLN 53 -12.641 3.819 -12.354 1028 HG3 GLN 53 HG1 GLN 53 -12.023 4.303 -10.777 1029 HE21 GLN 53 HE21 GLN 53 -14.461 6.102 -12.525 1030 HE22 GLN 53 HE22 GLN 53 -15.762 5.750 -11.447 1031 H CYS 54 HN CYS 54 -10.026 8.429 -10.412 1032 HA CYS 54 HA CYS 54 -8.526 6.426 -9.176 1033 HG CYS 54 HG CYS 54 -5.561 7.715 -8.605 1034 HB2 CYS 54 HB2 CYS 54 -7.587 8.556 -9.968 1035 HB3 CYS 54 HB1 CYS 54 -8.430 9.402 -8.676 1036 H GLU 55 HN GLU 55 -10.459 9.020 -7.628 1037 HA GLU 55 HA GLU 55 -9.958 8.185 -5.000 1038 HB2 GLU 55 HB2 GLU 55 -12.553 9.483 -5.793 1039 HB3 GLU 55 HB1 GLU 55 -11.651 9.660 -4.296 1040 HG2 GLU 55 HG2 GLU 55 -11.117 11.637 -5.240 1041 HG3 GLU 55 HG1 GLU 55 -9.844 10.660 -5.973 1042 H ALA 56 HN ALA 56 -12.507 7.267 -7.269 1043 HA ALA 56 HA ALA 56 -14.030 5.858 -5.309 1044 HB1 ALA 56 HB1 ALA 56 -15.093 6.803 -7.290 1045 HB2 ALA 56 HB2 ALA 56 -15.353 5.060 -7.205 1046 HB3 ALA 56 HB3 ALA 56 -14.156 5.720 -8.320 1047 H LEU 57 HN LEU 57 -11.559 5.026 -7.641 1048 HA LEU 57 HA LEU 57 -11.854 2.201 -7.385 1049 HG LEU 57 HG LEU 57 -9.779 0.959 -8.665 1050 HB2 LEU 57 HB2 LEU 57 -10.637 3.808 -9.180 1051 HB3 LEU 57 HB1 LEU 57 -9.249 3.322 -8.224 1052 HD11 LEU 57 HD11 LEU 57 -11.984 2.120 -10.362 1053 HD12 LEU 57 HD12 LEU 57 -12.177 1.122 -8.921 1054 HD13 LEU 57 HD13 LEU 57 -11.473 0.432 -10.385 1055 HD21 LEU 57 HD21 LEU 57 -9.598 2.667 -11.143 1056 HD22 LEU 57 HD22 LEU 57 -9.162 0.962 -11.027 1057 HD23 LEU 57 HD23 LEU 57 -8.242 2.172 -10.131 1058 H ALA 58 HN ALA 58 -9.593 4.592 -6.070 1059 HA ALA 58 HA ALA 58 -8.001 2.815 -4.585 1060 HB1 ALA 58 HB1 ALA 58 -7.358 5.131 -5.071 1061 HB2 ALA 58 HB2 ALA 58 -7.270 4.778 -3.346 1062 HB3 ALA 58 HB3 ALA 58 -8.624 5.708 -3.988 1063 H GLN 59 HN GLN 59 -10.933 4.597 -3.760 1064 HA GLN 59 HA GLN 59 -11.018 3.792 -1.047 1065 HB2 GLN 59 HB2 GLN 59 -12.298 5.689 -2.341 1066 HB3 GLN 59 HB1 GLN 59 -13.493 4.429 -2.610 1067 HG2 GLN 59 HG2 GLN 59 -13.751 4.120 -0.224 1068 HG3 GLN 59 HG1 GLN 59 -12.492 5.316 0.083 1069 HE21 GLN 59 HE21 GLN 59 -13.849 6.631 1.257 1070 HE22 GLN 59 HE22 GLN 59 -15.101 7.567 0.524 1071 H ALA 60 HN ALA 60 -12.474 2.527 -4.015 1072 HA ALA 60 HA ALA 60 -14.014 0.472 -2.905 1073 HB1 ALA 60 HB1 ALA 60 -14.253 1.190 -5.222 1074 HB2 ALA 60 HB2 ALA 60 -13.955 -0.546 -5.130 1075 HB3 ALA 60 HB3 ALA 60 -12.653 0.548 -5.597 1076 H PHE 61 HN PHE 61 -10.661 0.424 -4.099 1077 HA PHE 61 HA PHE 61 -10.159 -2.291 -3.586 1078 HD1 PHE 61 HD2 PHE 61 -8.221 -3.316 -5.155 1079 HD2 PHE 61 HD1 PHE 61 -6.397 -0.838 -2.217 1080 HE1 PHE 61 HE2 PHE 61 -6.444 -4.985 -4.860 1081 HE2 PHE 61 HE1 PHE 61 -4.614 -2.502 -1.913 1082 HZ PHE 61 HZ PHE 61 -4.634 -4.579 -3.240 1083 HB2 PHE 61 HB2 PHE 61 -8.690 -0.823 -4.957 1084 HB3 PHE 61 HB1 PHE 61 -8.179 -0.006 -3.483 1085 H SER 62 HN SER 62 -9.681 0.579 -1.577 1086 HA SER 62 HA SER 62 -8.555 -0.764 0.631 1087 HG SER 62 HG SER 62 -8.472 2.089 -0.779 1088 HB2 SER 62 HB2 SER 62 -10.151 1.806 0.627 1089 HB3 SER 62 HB1 SER 62 -9.025 1.274 1.876 1090 H ASN 63 HN ASN 63 -11.901 0.023 -0.224 1091 HA ASN 63 HA ASN 63 -13.056 -0.910 2.191 1092 HB2 ASN 63 HB2 ASN 63 -14.148 -0.374 -0.556 1093 HB3 ASN 63 HB1 ASN 63 -15.153 -1.146 0.664 1094 HD21 ASN 63 HD21 ASN 63 -12.728 1.218 1.487 1095 HD22 ASN 63 HD22 ASN 63 -13.821 2.478 1.939 1096 H SER 64 HN SER 64 -12.067 -2.498 -0.764 1097 HA SER 64 HA SER 64 -13.276 -5.002 -0.238 1098 HG SER 64 HG SER 64 -12.613 -3.347 -2.633 1099 HB2 SER 64 HB2 SER 64 -10.749 -4.365 -1.788 1100 HB3 SER 64 HB1 SER 64 -11.624 -5.896 -1.844 1101 H LEU 65 HN LEU 65 -10.231 -3.520 0.738 1102 HA LEU 65 HA LEU 65 -9.263 -5.826 2.117 1103 HG LEU 65 HG LEU 65 -6.845 -5.538 1.863 1104 HB2 LEU 65 HB2 LEU 65 -8.453 -2.979 1.902 1105 HB3 LEU 65 HB1 LEU 65 -7.912 -3.852 3.322 1106 HD11 LEU 65 HD11 LEU 65 -6.567 -5.064 -0.521 1107 HD12 LEU 65 HD12 LEU 65 -7.675 -3.700 -0.371 1108 HD13 LEU 65 HD13 LEU 65 -8.254 -5.343 -0.091 1109 HD21 LEU 65 HD21 LEU 65 -6.011 -2.692 1.334 1110 HD22 LEU 65 HD22 LEU 65 -5.003 -4.121 1.101 1111 HD23 LEU 65 HD23 LEU 65 -5.542 -3.678 2.721 1112 H ILE 66 HN ILE 66 -11.358 -3.149 2.953 1113 HA ILE 66 HA ILE 66 -11.414 -3.433 5.731 1114 HB ILE 66 HB ILE 66 -13.769 -2.816 3.932 1115 HG12 ILE 66 HG12 ILE 66 -11.960 -1.245 3.527 1116 HG13 ILE 66 HG11 ILE 66 -13.248 -0.447 4.422 1117 HG21 ILE 66 HG21 ILE 66 -13.350 -2.281 6.869 1118 HG22 ILE 66 HG22 ILE 66 -14.493 -3.420 6.157 1119 HG23 ILE 66 HG23 ILE 66 -14.705 -1.688 5.908 1120 HD11 ILE 66 HD11 ILE 66 -11.083 0.209 5.263 1121 HD12 ILE 66 HD12 ILE 66 -10.663 -1.476 5.568 1122 HD13 ILE 66 HD13 ILE 66 -11.960 -0.710 6.486 1123 H ASN 67 HN ASN 67 -13.306 -5.091 3.228 1124 HA ASN 67 HA ASN 67 -14.671 -6.871 4.913 1125 HB2 ASN 67 HB2 ASN 67 -15.291 -6.573 2.559 1126 HB3 ASN 67 HB1 ASN 67 -13.767 -7.293 2.051 1127 HD21 ASN 67 HD21 ASN 67 -14.705 -8.985 0.952 1128 HD22 ASN 67 HD22 ASN 67 -15.548 -10.273 1.739 1129 H ALA 68 HN ALA 68 -11.565 -7.175 3.234 1130 HA ALA 68 HA ALA 68 -10.957 -9.794 3.977 1131 HB1 ALA 68 HB1 ALA 68 -9.040 -7.516 3.501 1132 HB2 ALA 68 HB2 ALA 68 -9.727 -8.571 2.264 1133 HB3 ALA 68 HB3 ALA 68 -8.639 -9.234 3.484 1134 H VAL 69 HN VAL 69 -10.119 -6.743 5.610 1135 HA VAL 69 HA VAL 69 -8.716 -7.793 7.771 1136 HB VAL 69 HB VAL 69 -10.491 -5.349 7.629 1137 HG11 VAL 69 HG11 VAL 69 -8.566 -6.140 9.813 1138 HG12 VAL 69 HG12 VAL 69 -10.323 -6.070 9.950 1139 HG13 VAL 69 HG13 VAL 69 -9.401 -4.592 9.683 1140 HG21 VAL 69 HG21 VAL 69 -8.537 -5.294 6.176 1141 HG22 VAL 69 HG22 VAL 69 -7.494 -5.679 7.544 1142 HG23 VAL 69 HG23 VAL 69 -8.363 -4.144 7.503 1143 H LYS 70 HN LYS 70 -12.211 -7.105 7.554 1144 HA LYS 70 HA LYS 70 -12.792 -8.148 10.125 1145 HB2 LYS 70 HB2 LYS 70 -14.582 -7.670 7.740 1146 HB3 LYS 70 HB1 LYS 70 -15.162 -8.104 9.343 1147 HG2 LYS 70 HG2 LYS 70 -14.136 -6.055 10.243 1148 HG3 LYS 70 HG1 LYS 70 -13.636 -5.613 8.611 1149 HD2 LYS 70 HD2 LYS 70 -15.977 -5.577 7.908 1150 HD3 LYS 70 HD1 LYS 70 -16.473 -6.019 9.542 1151 HE2 LYS 70 HE2 LYS 70 -14.985 -3.510 8.768 1152 HE3 LYS 70 HE1 LYS 70 -16.708 -3.609 9.127 1153 HZ1 LYS 70 HZ1 LYS 70 -16.164 -4.298 11.379 1154 HZ2 LYS 70 HZ2 LYS 70 -15.443 -2.807 11.025 1155 HZ3 LYS 70 HZ3 LYS 70 -14.504 -4.217 11.031 1156 H THR 71 HN THR 71 -12.494 -9.587 6.978 1157 HA THR 71 HA THR 71 -13.668 -12.097 7.569 1158 HB THR 71 HB THR 71 -11.461 -11.416 5.609 1159 HG1 THR 71 HG1 THR 71 -13.450 -10.344 5.186 1160 HG21 THR 71 HG21 THR 71 -13.222 -13.865 5.767 1161 HG22 THR 71 HG22 THR 71 -11.494 -13.805 6.114 1162 HG23 THR 71 HG23 THR 71 -12.076 -13.503 4.475 1163 H ARG 72 HN ARG 72 -10.515 -10.709 8.170 1164 HA ARG 72 HA ARG 72 -9.303 -13.176 9.016 1165 HE ARG 72 HE ARG 72 -6.585 -13.760 9.608 1166 HB2 ARG 72 HB2 ARG 72 -8.468 -10.281 9.126 1167 HB3 ARG 72 HB1 ARG 72 -7.509 -11.555 9.864 1168 HG2 ARG 72 HG2 ARG 72 -8.262 -11.450 6.954 1169 HG3 ARG 72 HG1 ARG 72 -6.720 -10.913 7.624 1170 HD2 ARG 72 HD2 ARG 72 -7.862 -13.697 7.683 1171 HD3 ARG 72 HD1 ARG 72 -6.458 -13.145 6.768 1172 HH11 ARG 72 HH11 ARG 72 -4.730 -12.330 6.990 1173 HH12 ARG 72 HH12 ARG 72 -3.245 -12.312 7.895 1174 HH21 ARG 72 HH21 ARG 72 -4.644 -13.762 10.768 1175 HH22 ARG 72 HH22 ARG 72 -3.196 -13.121 10.052 1176 H LEU 73 HN LEU 73 -10.830 -10.422 10.508 1177 HA LEU 73 HA LEU 73 -10.055 -11.098 13.182 1178 HG LEU 73 HG LEU 73 -9.873 -8.485 11.515 1179 HB2 LEU 73 HB2 LEU 73 -12.149 -9.178 12.170 1180 HB3 LEU 73 HB1 LEU 73 -11.623 -9.302 13.837 1181 HD11 LEU 73 HD11 LEU 73 -9.946 -6.263 12.509 1182 HD12 LEU 73 HD12 LEU 73 -11.061 -6.843 13.748 1183 HD13 LEU 73 HD13 LEU 73 -11.562 -6.805 12.057 1184 HD21 LEU 73 HD21 LEU 73 -8.239 -7.903 13.237 1185 HD22 LEU 73 HD22 LEU 73 -8.620 -9.625 13.273 1186 HD23 LEU 73 HD23 LEU 73 -9.316 -8.542 14.479 1187 H GLU 74 HN GLU 74 -12.899 -11.668 11.181 1188 HA GLU 74 HA GLU 74 -14.273 -12.842 13.488 1189 HB2 GLU 74 HB2 GLU 74 -15.504 -11.205 12.097 1190 HB3 GLU 74 HB1 GLU 74 -15.318 -12.267 10.710 1191 HG2 GLU 74 HG2 GLU 74 -17.528 -12.487 11.642 1192 HG3 GLU 74 HG1 GLU 74 -16.627 -13.987 11.858 1193 H HIS 75 HN HIS 75 -13.870 -14.913 13.831 1194 HA HIS 75 HA HIS 75 -12.890 -16.670 11.832 1195 HD1 HIS 75 HD1 HIS 75 -14.311 -15.770 15.843 1196 HD2 HIS 75 HD2 HIS 75 -15.204 -19.607 14.511 1197 HE1 HIS 75 HE1 HIS 75 -16.133 -16.610 17.360 1198 HE2 HIS 75 HE2 HIS 75 -16.472 -19.013 16.683 1199 HB2 HIS 75 HB2 HIS 75 -12.986 -18.410 13.474 1200 HB3 HIS 75 HB1 HIS 75 -12.462 -16.946 14.291 1201 H HIS 76 HN HIS 76 -13.923 -18.357 10.761 1202 HA HIS 76 HA HIS 76 -16.778 -17.772 10.358 1203 HD1 HIS 76 HD1 HIS 76 -16.772 -15.926 7.755 1204 HD2 HIS 76 HD2 HIS 76 -12.869 -17.169 8.480 1205 HE1 HIS 76 HE1 HIS 76 -15.314 -13.941 7.241 1206 HE2 HIS 76 HE2 HIS 76 -13.004 -14.645 7.964 1207 HB2 HIS 76 HB2 HIS 76 -14.899 -19.097 8.393 1208 HB3 HIS 76 HB1 HIS 76 -16.515 -18.477 8.073 1209 H HIS 77 HN HIS 77 -18.249 -19.473 10.103 1210 HA HIS 77 HA HIS 77 -17.664 -21.863 11.526 1211 HD1 HIS 77 HD1 HIS 77 -21.474 -23.342 9.471 1212 HD2 HIS 77 HD2 HIS 77 -19.162 -23.408 12.927 1213 HE1 HIS 77 HE1 HIS 77 -22.059 -25.490 10.640 1214 HE2 HIS 77 HE2 HIS 77 -20.532 -25.581 12.643 1215 HB2 HIS 77 HB2 HIS 77 -19.957 -20.841 11.279 1216 HB3 HIS 77 HB1 HIS 77 -19.959 -21.390 9.608 1217 H HIS 78 HN HIS 78 -16.326 -23.338 10.802 1218 HA HIS 78 HA HIS 78 -15.312 -23.392 8.194 1219 HD1 HIS 78 HD1 HIS 78 -12.140 -24.237 8.723 1220 HD2 HIS 78 HD2 HIS 78 -14.386 -23.381 12.120 1221 HE1 HIS 78 HE1 HIS 78 -10.672 -22.793 10.164 1222 HE2 HIS 78 HE2 HIS 78 -12.126 -22.120 12.109 1223 HB2 HIS 78 HB2 HIS 78 -15.201 -25.493 10.369 1224 HB3 HIS 78 HB1 HIS 78 -14.284 -25.583 8.869 1225 H HIS 79 HN HIS 79 -16.314 -23.924 6.427 1226 HA HIS 79 HA HIS 79 -17.827 -26.390 6.237 1227 HD1 HIS 79 HD1 HIS 79 -20.109 -24.039 3.398 1228 HD2 HIS 79 HD2 HIS 79 -20.924 -27.133 6.054 1229 HE1 HIS 79 HE1 HIS 79 -21.855 -25.456 2.276 1230 HE2 HIS 79 HE2 HIS 79 -22.201 -27.407 3.826 1231 HB2 HIS 79 HB2 HIS 79 -19.546 -24.798 6.966 1232 HB3 HIS 79 HB1 HIS 79 -19.084 -23.683 5.687 1233 H HIS 80 HN HIS 80 -17.594 -27.277 4.240 1234 HA HIS 80 HA HIS 80 -16.044 -25.803 2.275 1235 HD1 HIS 80 HD1 HIS 80 -17.579 -28.622 -0.343 1236 HD2 HIS 80 HD2 HIS 80 -13.689 -27.581 0.689 1237 HE1 HIS 80 HE1 HIS 80 -16.264 -28.726 -2.479 1238 HE2 HIS 80 HE2 HIS 80 -13.880 -28.318 -1.783 1239 HB2 HIS 80 HB2 HIS 80 -15.512 -28.170 2.737 1240 HB3 HIS 80 HB1 HIS 80 -17.122 -28.632 2.200 Start of MODEL 5 1 HA MET 1 HA MET 1 20.916 9.671 24.249 2 H1 MET 1 HT1 MET 1 18.555 11.453 24.358 3 H2 MET 1 HT2 MET 1 20.052 11.838 23.662 4 H3 MET 1 HT3 MET 1 19.938 11.565 25.333 5 HB2 MET 1 HB2 MET 1 19.519 9.283 26.222 6 HB3 MET 1 HB1 MET 1 18.087 9.189 25.204 7 HG2 MET 1 HG2 MET 1 18.773 6.978 25.829 8 HG3 MET 1 HG1 MET 1 19.029 7.204 24.100 9 HE1 MET 1 HE1 MET 1 21.963 4.811 25.025 10 HE2 MET 1 HE2 MET 1 20.664 5.132 23.877 11 HE3 MET 1 HE3 MET 1 20.283 4.784 25.564 12 H ALA 2 HN ALA 2 17.574 10.224 23.129 13 HA ALA 2 HA ALA 2 17.883 8.379 20.944 14 HB1 ALA 2 HB1 ALA 2 15.700 10.389 21.474 15 HB2 ALA 2 HB2 ALA 2 15.708 8.714 22.022 16 HB3 ALA 2 HB3 ALA 2 15.641 9.076 20.297 17 H GLN 3 HN GLN 3 17.941 8.878 18.750 18 HA GLN 3 HA GLN 3 19.492 11.212 18.104 19 HB2 GLN 3 HB2 GLN 3 19.509 10.260 15.825 20 HB3 GLN 3 HB1 GLN 3 19.995 9.091 17.047 21 HG2 GLN 3 HG2 GLN 3 17.645 8.219 17.004 22 HG3 GLN 3 HG1 GLN 3 17.358 9.260 15.611 23 HE21 GLN 3 HE21 GLN 3 17.298 6.355 15.873 24 HE22 GLN 3 HE22 GLN 3 18.417 5.734 14.707 25 H HIS 4 HN HIS 4 16.642 11.482 18.964 26 HA HIS 4 HA HIS 4 14.909 12.877 18.613 27 HD1 HIS 4 HD1 HIS 4 18.455 15.524 17.157 28 HD2 HIS 4 HD2 HIS 4 15.756 14.652 20.201 29 HE1 HIS 4 HE1 HIS 4 19.409 16.575 19.235 30 HE2 HIS 4 HE2 HIS 4 17.681 16.170 21.029 31 HB2 HIS 4 HB2 HIS 4 16.632 14.014 16.400 32 HB3 HIS 4 HB1 HIS 4 15.167 14.757 17.029 33 H SER 5 HN SER 5 13.477 11.293 18.054 34 HA SER 5 HA SER 5 13.161 10.382 15.358 35 HG SER 5 HG SER 5 12.239 8.433 18.323 36 HB2 SER 5 HB2 SER 5 11.162 10.185 17.620 37 HB3 SER 5 HB1 SER 5 11.262 9.161 16.187 38 H LYS 6 HN LYS 6 13.153 12.642 14.533 39 HA LYS 6 HA LYS 6 10.717 14.170 14.964 40 HB2 LYS 6 HB2 LYS 6 13.213 14.720 13.355 41 HB3 LYS 6 HB1 LYS 6 11.860 15.835 13.479 42 HG2 LYS 6 HG2 LYS 6 13.420 14.841 15.849 43 HG3 LYS 6 HG1 LYS 6 13.787 16.333 14.983 44 HD2 LYS 6 HD2 LYS 6 11.185 15.676 16.362 45 HD3 LYS 6 HD1 LYS 6 12.432 16.774 16.964 46 HE2 LYS 6 HE2 LYS 6 10.866 17.108 14.404 47 HE3 LYS 6 HE1 LYS 6 10.584 17.988 15.904 48 HZ1 LYS 6 HZ1 LYS 6 12.698 19.036 15.718 49 HZ2 LYS 6 HZ2 LYS 6 11.900 19.225 14.230 50 HZ3 LYS 6 HZ3 LYS 6 13.138 18.080 14.387 51 H TYR 7 HN TYR 7 11.384 11.619 13.109 52 HA TYR 7 HA TYR 7 10.639 10.726 11.169 53 HD1 TYR 7 HD2 TYR 7 8.328 11.887 13.855 54 HD2 TYR 7 HD1 TYR 7 7.698 9.614 10.317 55 HE1 TYR 7 HE2 TYR 7 7.092 10.208 15.161 56 HE2 TYR 7 HE1 TYR 7 6.463 7.931 11.610 57 HH TYR 7 HH TYR 7 6.227 7.153 13.873 58 HB2 TYR 7 HB2 TYR 7 8.563 12.876 11.550 59 HB3 TYR 7 HB1 TYR 7 8.540 11.804 10.155 60 H SER 8 HN SER 8 12.520 11.204 10.043 61 HA SER 8 HA SER 8 12.853 13.681 8.660 62 HG SER 8 HG SER 8 15.649 13.404 7.812 63 HB2 SER 8 HB2 SER 8 14.801 12.437 9.471 64 HB3 SER 8 HB1 SER 8 14.358 11.071 8.451 65 H ASP 9 HN ASP 9 11.422 14.090 7.077 66 HA ASP 9 HA ASP 9 10.315 12.229 5.301 67 HB2 ASP 9 HB2 ASP 9 10.882 15.180 5.016 68 HB3 ASP 9 HB1 ASP 9 10.137 14.249 3.722 69 H ALA 10 HN ALA 10 13.471 13.394 5.627 70 HA ALA 10 HA ALA 10 14.299 12.991 2.893 71 HB1 ALA 10 HB1 ALA 10 15.961 13.325 5.392 72 HB2 ALA 10 HB2 ALA 10 15.440 14.626 4.323 73 HB3 ALA 10 HB3 ALA 10 16.556 13.394 3.733 74 H GLN 11 HN GLN 11 14.732 11.314 6.005 75 HA GLN 11 HA GLN 11 16.016 9.034 4.831 76 HB2 GLN 11 HB2 GLN 11 14.576 9.319 7.477 77 HB3 GLN 11 HB1 GLN 11 15.554 7.937 7.009 78 HG2 GLN 11 HG2 GLN 11 16.546 10.758 7.350 79 HG3 GLN 11 HG1 GLN 11 16.756 9.438 8.498 80 HE21 GLN 11 HE21 GLN 11 18.176 7.770 8.018 81 HE22 GLN 11 HE22 GLN 11 19.396 7.917 6.796 82 H LEU 12 HN LEU 12 12.738 9.857 5.743 83 HA LEU 12 HA LEU 12 11.407 7.466 5.374 84 HG LEU 12 HG LEU 12 9.109 8.663 3.588 85 HB2 LEU 12 HB2 LEU 12 10.271 9.358 6.277 86 HB3 LEU 12 HB1 LEU 12 10.579 10.311 4.839 87 HD11 LEU 12 HD11 LEU 12 7.506 7.408 4.951 88 HD12 LEU 12 HD12 LEU 12 8.397 7.867 6.401 89 HD13 LEU 12 HD13 LEU 12 9.162 6.850 5.181 90 HD21 LEU 12 HD21 LEU 12 7.866 10.317 5.777 91 HD22 LEU 12 HD22 LEU 12 7.046 9.738 4.325 92 HD23 LEU 12 HD23 LEU 12 8.367 10.901 4.191 93 H SER 13 HN SER 13 11.826 10.049 2.943 94 HA SER 13 HA SER 13 10.520 8.427 1.012 95 HG SER 13 HG SER 13 10.728 11.708 1.926 96 HB2 SER 13 HB2 SER 13 12.020 10.944 0.367 97 HB3 SER 13 HB1 SER 13 10.630 10.231 -0.457 98 H ALA 14 HN ALA 14 13.834 8.967 1.903 99 HA ALA 14 HA ALA 14 15.065 8.058 -0.459 100 HB1 ALA 14 HB1 ALA 14 16.983 7.488 0.959 101 HB2 ALA 14 HB2 ALA 14 15.982 7.696 2.397 102 HB3 ALA 14 HB3 ALA 14 16.339 9.079 1.362 103 H ILE 15 HN ILE 15 13.664 6.403 2.299 104 HA ILE 15 HA ILE 15 14.330 3.767 1.541 105 HB ILE 15 HB ILE 15 12.217 4.924 3.337 106 HG12 ILE 15 HG12 ILE 15 14.684 3.253 3.853 107 HG13 ILE 15 HG11 ILE 15 14.568 4.998 4.059 108 HG21 ILE 15 HG21 ILE 15 11.689 2.646 4.094 109 HG22 ILE 15 HG22 ILE 15 12.701 1.995 2.804 110 HG23 ILE 15 HG23 ILE 15 11.244 2.906 2.408 111 HD11 ILE 15 HD11 ILE 15 14.425 3.834 6.183 112 HD12 ILE 15 HD12 ILE 15 13.026 2.928 5.607 113 HD13 ILE 15 HD13 ILE 15 12.918 4.676 5.825 114 H VAL 16 HN VAL 16 11.394 5.734 0.962 115 HA VAL 16 HA VAL 16 10.106 3.608 -0.450 116 HB VAL 16 HB VAL 16 8.842 5.418 0.698 117 HG11 VAL 16 HG11 VAL 16 10.392 7.203 -0.439 118 HG12 VAL 16 HG12 VAL 16 8.742 7.549 0.082 119 HG13 VAL 16 HG13 VAL 16 9.082 7.205 -1.622 120 HG21 VAL 16 HG21 VAL 16 8.229 5.051 -2.229 121 HG22 VAL 16 HG22 VAL 16 7.085 5.578 -0.993 122 HG23 VAL 16 HG23 VAL 16 7.772 3.955 -0.925 123 H ASN 17 HN ASN 17 12.200 6.242 -1.440 124 HA ASN 17 HA ASN 17 11.690 5.993 -4.233 125 HB2 ASN 17 HB2 ASN 17 14.048 7.131 -2.725 126 HB3 ASN 17 HB1 ASN 17 13.927 7.155 -4.480 127 HD21 ASN 17 HD21 ASN 17 10.987 7.558 -4.303 128 HD22 ASN 17 HD22 ASN 17 10.793 9.223 -3.898 129 H ASP 18 HN ASP 18 13.760 4.347 -1.965 130 HA ASP 18 HA ASP 18 15.349 2.988 -3.881 131 HB2 ASP 18 HB2 ASP 18 16.066 3.187 -1.542 132 HB3 ASP 18 HB1 ASP 18 14.664 2.259 -1.021 133 H MET 19 HN MET 19 12.413 2.239 -2.067 134 HA MET 19 HA MET 19 11.899 -0.319 -3.007 135 HB2 MET 19 HB2 MET 19 10.609 0.764 -1.218 136 HB3 MET 19 HB1 MET 19 9.899 1.869 -2.387 137 HG2 MET 19 HG2 MET 19 8.866 -0.058 -3.528 138 HG3 MET 19 HG1 MET 19 9.520 -1.113 -2.277 139 HE1 MET 19 HE1 MET 19 7.646 0.201 0.919 140 HE2 MET 19 HE2 MET 19 9.201 0.767 0.312 141 HE3 MET 19 HE3 MET 19 8.823 -0.956 0.295 142 H ILE 20 HN ILE 20 11.195 2.801 -4.497 143 HA ILE 20 HA ILE 20 9.796 1.817 -6.745 144 HB ILE 20 HB ILE 20 11.486 4.318 -6.517 145 HG12 ILE 20 HG12 ILE 20 8.502 3.924 -6.193 146 HG13 ILE 20 HG11 ILE 20 9.636 4.179 -4.875 147 HG21 ILE 20 HG21 ILE 20 9.388 3.549 -8.544 148 HG22 ILE 20 HG22 ILE 20 11.119 3.722 -8.838 149 HG23 ILE 20 HG23 ILE 20 10.148 5.134 -8.417 150 HD11 ILE 20 HD11 ILE 20 8.448 6.218 -5.401 151 HD12 ILE 20 HD12 ILE 20 9.009 6.136 -7.071 152 HD13 ILE 20 HD13 ILE 20 10.165 6.393 -5.764 153 H ALA 21 HN ALA 21 13.229 2.415 -6.130 154 HA ALA 21 HA ALA 21 14.162 1.719 -8.706 155 HB1 ALA 21 HB1 ALA 21 16.353 1.491 -7.657 156 HB2 ALA 21 HB2 ALA 21 15.605 1.521 -6.061 157 HB3 ALA 21 HB3 ALA 21 15.537 2.949 -7.092 158 H VAL 22 HN VAL 22 13.616 -0.141 -5.751 159 HA VAL 22 HA VAL 22 14.562 -2.632 -6.552 160 HB VAL 22 HB VAL 22 12.072 -2.178 -4.892 161 HG11 VAL 22 HG11 VAL 22 12.768 -4.276 -3.789 162 HG12 VAL 22 HG12 VAL 22 14.063 -4.437 -4.977 163 HG13 VAL 22 HG13 VAL 22 12.379 -4.482 -5.496 164 HG21 VAL 22 HG21 VAL 22 13.574 -2.186 -2.927 165 HG22 VAL 22 HG22 VAL 22 13.828 -0.788 -3.974 166 HG23 VAL 22 HG23 VAL 22 14.960 -2.143 -4.015 167 H LEU 23 HN LEU 23 11.427 -1.103 -7.107 168 HA LEU 23 HA LEU 23 10.151 -3.223 -8.435 169 HG LEU 23 HG LEU 23 7.874 -2.572 -9.276 170 HB2 LEU 23 HB2 LEU 23 9.104 -1.107 -7.548 171 HB3 LEU 23 HB1 LEU 23 9.779 -0.263 -8.924 172 HD11 LEU 23 HD11 LEU 23 6.078 -0.926 -9.465 173 HD12 LEU 23 HD12 LEU 23 7.197 0.354 -8.993 174 HD13 LEU 23 HD13 LEU 23 6.783 -0.922 -7.849 175 HD21 LEU 23 HD21 LEU 23 9.115 -1.904 -11.254 176 HD22 LEU 23 HD22 LEU 23 8.641 -0.224 -11.011 177 HD23 LEU 23 HD23 LEU 23 7.422 -1.435 -11.413 178 H GLU 24 HN GLU 24 12.029 -0.486 -9.674 179 HA GLU 24 HA GLU 24 11.811 -1.086 -12.403 180 HB2 GLU 24 HB2 GLU 24 14.006 0.361 -10.919 181 HB3 GLU 24 HB1 GLU 24 13.792 0.377 -12.663 182 HG2 GLU 24 HG2 GLU 24 11.739 1.366 -10.701 183 HG3 GLU 24 HG1 GLU 24 12.933 2.393 -11.493 184 H LYS 25 HN LYS 25 14.229 -2.046 -10.005 185 HA LYS 25 HA LYS 25 16.032 -3.290 -11.769 186 HB2 LYS 25 HB2 LYS 25 15.492 -3.794 -8.840 187 HB3 LYS 25 HB1 LYS 25 16.846 -4.483 -9.723 188 HG2 LYS 25 HG2 LYS 25 17.782 -2.307 -10.101 189 HG3 LYS 25 HG1 LYS 25 16.357 -1.530 -9.408 190 HD2 LYS 25 HD2 LYS 25 16.851 -2.605 -7.246 191 HD3 LYS 25 HD1 LYS 25 18.307 -3.314 -7.947 192 HE2 LYS 25 HE2 LYS 25 17.750 -0.356 -7.758 193 HE3 LYS 25 HE1 LYS 25 18.743 -1.264 -6.622 194 HZ1 LYS 25 HZ1 LYS 25 20.088 -0.138 -8.285 195 HZ2 LYS 25 HZ2 LYS 25 19.287 -0.967 -9.528 196 HZ3 LYS 25 HZ3 LYS 25 20.247 -1.820 -8.424 197 H HIS 26 HN HIS 26 13.142 -4.481 -10.148 198 HA HIS 26 HA HIS 26 13.691 -7.212 -11.024 199 HD1 HIS 26 HD1 HIS 26 14.836 -7.518 -9.229 200 HD2 HIS 26 HD2 HIS 26 11.659 -6.722 -6.676 201 HE1 HIS 26 HE1 HIS 26 15.779 -7.684 -6.910 202 HE2 HIS 26 HE2 HIS 26 13.770 -7.514 -5.400 203 HB2 HIS 26 HB2 HIS 26 11.405 -6.080 -9.401 204 HB3 HIS 26 HB1 HIS 26 11.600 -7.782 -9.800 205 H LYS 27 HN LYS 27 12.094 -4.472 -12.143 206 HA LYS 27 HA LYS 27 10.722 -4.018 -13.883 207 HB2 LYS 27 HB2 LYS 27 11.521 -6.799 -14.768 208 HB3 LYS 27 HB1 LYS 27 10.685 -5.625 -15.775 209 HG2 LYS 27 HG2 LYS 27 12.581 -4.126 -15.650 210 HG3 LYS 27 HG1 LYS 27 13.417 -5.243 -14.572 211 HD2 LYS 27 HD2 LYS 27 13.484 -6.922 -16.322 212 HD3 LYS 27 HD1 LYS 27 12.557 -5.869 -17.393 213 HE2 LYS 27 HE2 LYS 27 15.293 -5.251 -16.278 214 HE3 LYS 27 HE1 LYS 27 14.961 -5.834 -17.909 215 HZ1 LYS 27 HZ1 LYS 27 15.260 -3.446 -17.883 216 HZ2 LYS 27 HZ2 LYS 27 14.003 -3.265 -16.754 217 HZ3 LYS 27 HZ3 LYS 27 13.665 -3.832 -18.317 218 H ALA 28 HN ALA 28 9.264 -4.427 -11.805 219 HA ALA 28 HA ALA 28 7.380 -6.601 -12.226 220 HB1 ALA 28 HB1 ALA 28 6.397 -5.890 -10.115 221 HB2 ALA 28 HB2 ALA 28 7.450 -4.476 -10.083 222 HB3 ALA 28 HB3 ALA 28 8.141 -6.093 -9.945 223 HA PRO 29 HA PRO 29 4.742 -3.865 -14.573 224 HB2 PRO 29 HB2 PRO 29 2.610 -5.536 -14.770 225 HB3 PRO 29 HB1 PRO 29 4.068 -5.726 -15.751 226 HG2 PRO 29 HG2 PRO 29 3.247 -7.180 -13.272 227 HG3 PRO 29 HG1 PRO 29 3.998 -7.815 -14.746 228 HD2 PRO 29 HD2 PRO 29 5.392 -7.311 -12.470 229 HD3 PRO 29 HD1 PRO 29 6.110 -7.191 -14.088 230 H VAL 30 HN VAL 30 2.678 -2.790 -14.283 231 HA VAL 30 HA VAL 30 2.247 -1.905 -11.660 232 HB VAL 30 HB VAL 30 0.289 -1.767 -13.963 233 HG11 VAL 30 HG11 VAL 30 -0.582 0.219 -12.821 234 HG12 VAL 30 HG12 VAL 30 0.532 -0.065 -11.483 235 HG13 VAL 30 HG13 VAL 30 -0.749 -1.229 -11.829 236 HG21 VAL 30 HG21 VAL 30 2.421 -0.849 -14.635 237 HG22 VAL 30 HG22 VAL 30 2.498 0.125 -13.167 238 HG23 VAL 30 HG23 VAL 30 1.267 0.460 -14.385 239 H ASP 31 HN ASP 31 0.869 -4.522 -13.473 240 HA ASP 31 HA ASP 31 -1.462 -5.056 -12.030 241 HB2 ASP 31 HB2 ASP 31 0.329 -7.214 -13.142 242 HB3 ASP 31 HB1 ASP 31 -1.425 -7.213 -13.019 243 H LEU 32 HN LEU 32 1.639 -6.757 -11.747 244 HA LEU 32 HA LEU 32 0.856 -8.119 -9.383 245 HG LEU 32 HG LEU 32 1.935 -9.016 -12.104 246 HB2 LEU 32 HB2 LEU 32 3.565 -7.808 -10.673 247 HB3 LEU 32 HB1 LEU 32 3.201 -8.916 -9.362 248 HD11 LEU 32 HD11 LEU 32 4.095 -10.731 -10.891 249 HD12 LEU 32 HD12 LEU 32 4.290 -9.585 -12.217 250 HD13 LEU 32 HD13 LEU 32 3.294 -11.023 -12.437 251 HD21 LEU 32 HD21 LEU 32 1.782 -10.922 -9.770 252 HD22 LEU 32 HD22 LEU 32 1.094 -11.196 -11.370 253 HD23 LEU 32 HD23 LEU 32 0.480 -9.888 -10.359 254 H SER 33 HN SER 33 2.736 -5.218 -10.027 255 HA SER 33 HA SER 33 3.842 -4.980 -7.438 256 HG SER 33 HG SER 33 3.947 -2.501 -7.012 257 HB2 SER 33 HB2 SER 33 4.757 -3.736 -9.342 258 HB3 SER 33 HB1 SER 33 3.252 -2.821 -9.477 259 H LEU 34 HN LEU 34 0.762 -4.022 -8.827 260 HA LEU 34 HA LEU 34 -0.039 -2.437 -6.579 261 HG LEU 34 HG LEU 34 -2.203 -1.372 -6.831 262 HB2 LEU 34 HB2 LEU 34 -0.894 -2.222 -8.949 263 HB3 LEU 34 HB1 LEU 34 -1.806 -3.693 -8.682 264 HD11 LEU 34 HD11 LEU 34 -2.343 -0.424 -9.078 265 HD12 LEU 34 HD12 LEU 34 -3.934 -0.498 -8.316 266 HD13 LEU 34 HD13 LEU 34 -3.487 -1.685 -9.542 267 HD21 LEU 34 HD21 LEU 34 -4.480 -2.287 -6.742 268 HD22 LEU 34 HD22 LEU 34 -3.273 -3.491 -6.290 269 HD23 LEU 34 HD23 LEU 34 -4.015 -3.545 -7.889 270 H ILE 35 HN ILE 35 -0.472 -5.788 -7.594 271 HA ILE 35 HA ILE 35 -2.325 -6.469 -5.553 272 HB ILE 35 HB ILE 35 -0.406 -8.342 -6.948 273 HG12 ILE 35 HG12 ILE 35 -3.231 -7.562 -7.715 274 HG13 ILE 35 HG11 ILE 35 -1.774 -7.018 -8.541 275 HG21 ILE 35 HG21 ILE 35 -2.074 -10.050 -6.412 276 HG22 ILE 35 HG22 ILE 35 -3.049 -8.841 -5.579 277 HG23 ILE 35 HG23 ILE 35 -1.461 -9.277 -4.949 278 HD11 ILE 35 HD11 ILE 35 -2.852 -8.817 -9.754 279 HD12 ILE 35 HD12 ILE 35 -2.728 -9.865 -8.340 280 HD13 ILE 35 HD13 ILE 35 -1.268 -9.322 -9.166 281 H ALA 36 HN ALA 36 1.220 -6.668 -5.770 282 HA ALA 36 HA ALA 36 1.724 -7.793 -3.265 283 HB1 ALA 36 HB1 ALA 36 3.464 -7.513 -4.957 284 HB2 ALA 36 HB2 ALA 36 3.940 -6.753 -3.438 285 HB3 ALA 36 HB3 ALA 36 3.369 -5.759 -4.779 286 H LEU 37 HN LEU 37 1.280 -4.424 -4.250 287 HA LEU 37 HA LEU 37 1.589 -3.192 -1.764 288 HG LEU 37 HG LEU 37 -0.876 -1.248 -2.030 289 HB2 LEU 37 HB2 LEU 37 1.458 -1.922 -3.819 290 HB3 LEU 37 HB1 LEU 37 -0.178 -2.478 -4.100 291 HD11 LEU 37 HD11 LEU 37 1.907 -0.109 -2.226 292 HD12 LEU 37 HD12 LEU 37 1.294 -1.142 -0.933 293 HD13 LEU 37 HD13 LEU 37 0.625 0.474 -1.165 294 HD21 LEU 37 HD21 LEU 37 -1.250 -0.310 -4.233 295 HD22 LEU 37 HD22 LEU 37 0.382 0.360 -4.251 296 HD23 LEU 37 HD23 LEU 37 -0.808 0.964 -3.097 297 H GLY 38 HN GLY 38 -1.317 -4.488 -3.338 298 HA2 GLY 38 HA2 GLY 38 -3.171 -3.866 -1.339 299 HA3 GLY 38 HA1 GLY 38 -3.326 -5.189 -2.484 300 H ASN 39 HN ASN 39 -1.326 -6.888 -1.807 301 HA ASN 39 HA ASN 39 -2.324 -8.183 0.485 302 HB2 ASN 39 HB2 ASN 39 -1.106 -9.352 -1.323 303 HB3 ASN 39 HB1 ASN 39 0.381 -8.550 -0.827 304 HD21 ASN 39 HD21 ASN 39 1.442 -10.441 -0.356 305 HD22 ASN 39 HD22 ASN 39 1.043 -11.434 0.998 306 H MET 40 HN MET 40 0.486 -6.076 0.024 307 HA MET 40 HA MET 40 1.567 -6.488 2.613 308 HB2 MET 40 HB2 MET 40 2.908 -5.649 0.728 309 HB3 MET 40 HB1 MET 40 1.974 -4.160 0.728 310 HG2 MET 40 HG2 MET 40 4.113 -3.850 1.824 311 HG3 MET 40 HG1 MET 40 2.783 -3.636 2.961 312 HE1 MET 40 HE1 MET 40 5.637 -5.176 5.173 313 HE2 MET 40 HE2 MET 40 4.508 -3.835 4.984 314 HE3 MET 40 HE3 MET 40 5.824 -4.048 3.830 315 H ALA 41 HN ALA 41 -0.325 -3.783 1.251 316 HA ALA 41 HA ALA 41 -0.470 -2.183 3.510 317 HB1 ALA 41 HB1 ALA 41 -1.241 -1.457 1.300 318 HB2 ALA 41 HB2 ALA 41 -2.483 -1.198 2.523 319 HB3 ALA 41 HB3 ALA 41 -2.612 -2.559 1.410 320 H SER 42 HN SER 42 -2.653 -4.801 2.531 321 HA SER 42 HA SER 42 -4.439 -4.571 4.693 322 HG SER 42 HG SER 42 -6.057 -6.388 4.569 323 HB2 SER 42 HB2 SER 42 -4.937 -5.837 2.622 324 HB3 SER 42 HB1 SER 42 -3.731 -7.038 3.075 325 H ASN 43 HN ASN 43 -1.733 -6.846 4.191 326 HA ASN 43 HA ASN 43 -1.966 -8.155 6.656 327 HB2 ASN 43 HB2 ASN 43 -0.644 -8.975 4.694 328 HB3 ASN 43 HB1 ASN 43 0.577 -7.761 5.065 329 HD21 ASN 43 HD21 ASN 43 1.906 -8.043 6.847 330 HD22 ASN 43 HD22 ASN 43 2.004 -9.539 7.702 331 H LEU 44 HN LEU 44 0.044 -5.407 5.691 332 HA LEU 44 HA LEU 44 1.500 -5.085 8.047 333 HG LEU 44 HG LEU 44 1.457 -1.942 8.123 334 HB2 LEU 44 HB2 LEU 44 2.019 -3.955 5.949 335 HB3 LEU 44 HB1 LEU 44 0.549 -3.012 6.072 336 HD11 LEU 44 HD11 LEU 44 3.836 -2.171 8.619 337 HD12 LEU 44 HD12 LEU 44 3.983 -3.405 7.366 338 HD13 LEU 44 HD13 LEU 44 2.997 -3.713 8.796 339 HD21 LEU 44 HD21 LEU 44 3.138 -1.718 5.632 340 HD22 LEU 44 HD22 LEU 44 3.084 -0.535 6.941 341 HD23 LEU 44 HD23 LEU 44 1.644 -0.844 5.970 342 H LEU 45 HN LEU 45 -1.537 -3.505 7.069 343 HA LEU 45 HA LEU 45 -1.756 -2.025 9.503 344 HG LEU 45 HG LEU 45 -1.864 -1.110 6.610 345 HB2 LEU 45 HB2 LEU 45 -3.739 -2.563 7.298 346 HB3 LEU 45 HB1 LEU 45 -4.051 -1.499 8.657 347 HD11 LEU 45 HD11 LEU 45 -4.066 -0.760 5.642 348 HD12 LEU 45 HD12 LEU 45 -3.227 0.778 5.844 349 HD13 LEU 45 HD13 LEU 45 -4.497 0.312 6.974 350 HD21 LEU 45 HD21 LEU 45 -1.594 1.088 7.647 351 HD22 LEU 45 HD22 LEU 45 -1.271 -0.207 8.800 352 HD23 LEU 45 HD23 LEU 45 -2.801 0.668 8.862 353 H THR 46 HN THR 46 -2.479 -5.278 8.765 354 HA THR 46 HA THR 46 -4.306 -5.356 11.068 355 HB THR 46 HB THR 46 -4.864 -7.673 10.263 356 HG1 THR 46 HG1 THR 46 -3.599 -6.818 7.853 357 HG21 THR 46 HG21 THR 46 -6.298 -6.856 8.434 358 HG22 THR 46 HG22 THR 46 -5.376 -5.353 8.401 359 HG23 THR 46 HG23 THR 46 -6.320 -5.777 9.829 360 H THR 47 HN THR 47 -1.088 -5.669 10.632 361 HA THR 47 HA THR 47 -0.929 -7.683 12.778 362 HB THR 47 HB THR 47 1.256 -8.446 11.843 363 HG1 THR 47 HG1 THR 47 0.449 -7.199 9.424 364 HG21 THR 47 HG21 THR 47 -1.143 -8.797 10.040 365 HG22 THR 47 HG22 THR 47 -0.764 -9.761 11.468 366 HG23 THR 47 HG23 THR 47 0.287 -9.830 10.054 367 H SER 48 HN SER 48 0.440 -4.778 11.340 368 HA SER 48 HA SER 48 2.349 -4.580 13.563 369 HG SER 48 HG SER 48 2.783 -5.395 10.949 370 HB2 SER 48 HB2 SER 48 2.231 -3.050 10.954 371 HB3 SER 48 HB1 SER 48 3.514 -2.939 12.162 372 H VAL 49 HN VAL 49 -0.530 -3.975 13.775 373 HA VAL 49 HA VAL 49 -0.356 -1.116 14.461 374 HB VAL 49 HB VAL 49 -2.836 -1.076 14.298 375 HG11 VAL 49 HG11 VAL 49 -2.952 -1.095 11.861 376 HG12 VAL 49 HG12 VAL 49 -1.411 -1.952 11.797 377 HG13 VAL 49 HG13 VAL 49 -1.481 -0.311 12.441 378 HG21 VAL 49 HG21 VAL 49 -2.483 -3.859 13.197 379 HG22 VAL 49 HG22 VAL 49 -3.978 -2.925 13.140 380 HG23 VAL 49 HG23 VAL 49 -3.306 -3.420 14.694 381 HA PRO 50 HA PRO 50 -0.944 -1.911 18.780 382 HB2 PRO 50 HB2 PRO 50 -3.311 -0.099 18.645 383 HB3 PRO 50 HB1 PRO 50 -1.914 -0.048 19.728 384 HG2 PRO 50 HG2 PRO 50 -2.105 1.672 17.712 385 HG3 PRO 50 HG1 PRO 50 -0.543 0.938 18.127 386 HD2 PRO 50 HD2 PRO 50 -2.404 0.298 15.875 387 HD3 PRO 50 HD1 PRO 50 -0.628 0.329 15.897 388 H GLN 51 HN GLN 51 -4.277 -1.299 17.698 389 HA GLN 51 HA GLN 51 -5.094 -3.983 17.563 390 HB2 GLN 51 HB2 GLN 51 -4.740 -3.913 20.017 391 HB3 GLN 51 HB1 GLN 51 -5.907 -2.600 20.129 392 HG2 GLN 51 HG2 GLN 51 -7.640 -4.094 19.233 393 HG3 GLN 51 HG1 GLN 51 -6.465 -5.407 19.189 394 HE21 GLN 51 HE21 GLN 51 -7.634 -6.677 20.599 395 HE22 GLN 51 HE22 GLN 51 -7.755 -6.314 22.287 396 H THR 52 HN THR 52 -6.871 -1.392 19.191 397 HA THR 52 HA THR 52 -9.140 -1.649 17.552 398 HB THR 52 HB THR 52 -8.490 0.864 19.074 399 HG1 THR 52 HG1 THR 52 -9.734 -0.828 20.688 400 HG21 THR 52 HG21 THR 52 -10.592 0.850 17.871 401 HG22 THR 52 HG22 THR 52 -10.911 0.739 19.603 402 HG23 THR 52 HG23 THR 52 -11.030 -0.700 18.589 403 H GLN 53 HN GLN 53 -6.261 0.252 17.242 404 HA GLN 53 HA GLN 53 -7.318 2.151 15.395 405 HB2 GLN 53 HB2 GLN 53 -4.455 1.428 16.032 406 HB3 GLN 53 HB1 GLN 53 -4.956 2.796 15.049 407 HG2 GLN 53 HG2 GLN 53 -6.199 3.665 17.027 408 HG3 GLN 53 HG1 GLN 53 -5.468 2.373 17.979 409 HE21 GLN 53 HE21 GLN 53 -5.194 5.249 18.275 410 HE22 GLN 53 HE22 GLN 53 -3.504 5.600 18.116 411 H CYS 54 HN CYS 54 -6.631 -1.080 15.072 412 HA CYS 54 HA CYS 54 -5.262 -1.330 12.668 413 HG CYS 54 HG CYS 54 -5.244 -3.698 11.298 414 HB2 CYS 54 HB2 CYS 54 -5.829 -3.227 14.123 415 HB3 CYS 54 HB1 CYS 54 -7.531 -3.027 13.732 416 H GLU 55 HN GLU 55 -8.781 -1.223 13.175 417 HA GLU 55 HA GLU 55 -9.291 -1.078 10.350 418 HB2 GLU 55 HB2 GLU 55 -10.826 -2.228 11.925 419 HB3 GLU 55 HB1 GLU 55 -11.192 -0.677 12.669 420 HG2 GLU 55 HG2 GLU 55 -12.150 0.115 10.581 421 HG3 GLU 55 HG1 GLU 55 -11.748 -1.415 9.806 422 H ALA 56 HN ALA 56 -9.242 1.149 13.061 423 HA ALA 56 HA ALA 56 -10.421 3.371 11.854 424 HB1 ALA 56 HB1 ALA 56 -8.239 3.345 13.933 425 HB2 ALA 56 HB2 ALA 56 -9.967 3.217 14.255 426 HB3 ALA 56 HB3 ALA 56 -9.307 4.699 13.562 427 H LEU 57 HN LEU 57 -6.978 2.484 12.052 428 HA LEU 57 HA LEU 57 -6.093 4.678 10.495 429 HG LEU 57 HG LEU 57 -3.785 4.980 11.503 430 HB2 LEU 57 HB2 LEU 57 -4.876 2.162 11.503 431 HB3 LEU 57 HB1 LEU 57 -4.071 2.969 10.172 432 HD11 LEU 57 HD11 LEU 57 -4.410 5.065 13.852 433 HD12 LEU 57 HD12 LEU 57 -5.181 3.485 13.715 434 HD13 LEU 57 HD13 LEU 57 -5.831 4.864 12.827 435 HD21 LEU 57 HD21 LEU 57 -2.257 4.089 13.203 436 HD22 LEU 57 HD22 LEU 57 -2.071 3.278 11.648 437 HD23 LEU 57 HD23 LEU 57 -2.942 2.481 12.958 438 H ALA 58 HN ALA 58 -7.044 1.377 9.711 439 HA ALA 58 HA ALA 58 -6.211 1.316 7.045 440 HB1 ALA 58 HB1 ALA 58 -7.865 -0.435 6.723 441 HB2 ALA 58 HB2 ALA 58 -8.660 0.013 8.232 442 HB3 ALA 58 HB3 ALA 58 -7.028 -0.655 8.260 443 H GLN 59 HN GLN 59 -9.338 2.328 8.421 444 HA GLN 59 HA GLN 59 -10.487 3.112 5.962 445 HB2 GLN 59 HB2 GLN 59 -11.116 4.069 8.756 446 HB3 GLN 59 HB1 GLN 59 -12.118 4.355 7.341 447 HG2 GLN 59 HG2 GLN 59 -12.435 1.933 7.099 448 HG3 GLN 59 HG1 GLN 59 -11.474 1.679 8.557 449 HE21 GLN 59 HE21 GLN 59 -14.262 0.993 8.014 450 HE22 GLN 59 HE22 GLN 59 -15.189 1.781 9.245 451 H ALA 60 HN ALA 60 -8.742 4.944 8.450 452 HA ALA 60 HA ALA 60 -9.075 7.485 7.298 453 HB1 ALA 60 HB1 ALA 60 -7.221 8.181 8.719 454 HB2 ALA 60 HB2 ALA 60 -6.814 6.493 9.032 455 HB3 ALA 60 HB3 ALA 60 -8.346 7.153 9.605 456 H PHE 61 HN PHE 61 -6.460 5.118 6.980 457 HA PHE 61 HA PHE 61 -4.778 6.625 5.317 458 HD1 PHE 61 HD1 PHE 61 -2.191 5.867 5.169 459 HD2 PHE 61 HD2 PHE 61 -4.463 2.663 3.527 460 HE1 PHE 61 HE1 PHE 61 -0.444 5.495 3.478 461 HE2 PHE 61 HE2 PHE 61 -2.721 2.287 1.832 462 HZ PHE 61 HZ PHE 61 -0.709 3.703 1.810 463 HB2 PHE 61 HB2 PHE 61 -4.009 4.616 6.459 464 HB3 PHE 61 HB1 PHE 61 -5.130 3.627 5.531 465 H SER 62 HN SER 62 -7.306 4.269 4.503 466 HA SER 62 HA SER 62 -6.846 4.349 1.722 467 HG SER 62 HG SER 62 -8.958 2.983 4.400 468 HB2 SER 62 HB2 SER 62 -9.167 3.303 1.628 469 HB3 SER 62 HB1 SER 62 -7.957 2.441 2.577 470 H ASN 63 HN ASN 63 -9.195 6.048 3.777 471 HA ASN 63 HA ASN 63 -10.433 7.459 1.660 472 HB2 ASN 63 HB2 ASN 63 -10.362 7.805 4.633 473 HB3 ASN 63 HB1 ASN 63 -11.025 9.091 3.629 474 HD21 ASN 63 HD21 ASN 63 -11.431 5.845 4.775 475 HD22 ASN 63 HD22 ASN 63 -13.058 5.638 4.216 476 H SER 64 HN SER 64 -7.602 8.108 3.625 477 HA SER 64 HA SER 64 -7.149 10.757 2.779 478 HG SER 64 HG SER 64 -4.758 11.223 4.450 479 HB2 SER 64 HB2 SER 64 -5.973 9.535 4.671 480 HB3 SER 64 HB1 SER 64 -5.018 8.708 3.442 481 H LEU 65 HN LEU 65 -6.300 7.617 1.405 482 HA LEU 65 HA LEU 65 -4.776 8.520 -0.774 483 HG LEU 65 HG LEU 65 -4.828 5.988 1.095 484 HB2 LEU 65 HB2 LEU 65 -6.595 6.110 -0.627 485 HB3 LEU 65 HB1 LEU 65 -5.370 6.384 -1.849 486 HD11 LEU 65 HD11 LEU 65 -5.647 3.958 0.011 487 HD12 LEU 65 HD12 LEU 65 -3.940 3.820 0.426 488 HD13 LEU 65 HD13 LEU 65 -4.418 4.128 -1.243 489 HD21 LEU 65 HD21 LEU 65 -3.165 7.407 0.000 490 HD22 LEU 65 HD22 LEU 65 -2.940 6.183 -1.249 491 HD23 LEU 65 HD23 LEU 65 -2.489 5.833 0.419 492 H ILE 66 HN ILE 66 -8.257 7.966 -0.409 493 HA ILE 66 HA ILE 66 -9.097 8.529 -3.007 494 HB ILE 66 HB ILE 66 -10.644 9.429 -0.574 495 HG12 ILE 66 HG12 ILE 66 -9.896 7.139 -0.136 496 HG13 ILE 66 HG11 ILE 66 -11.625 7.174 -0.452 497 HG21 ILE 66 HG21 ILE 66 -11.494 8.414 -3.285 498 HG22 ILE 66 HG22 ILE 66 -11.565 10.083 -2.720 499 HG23 ILE 66 HG23 ILE 66 -12.586 8.855 -1.973 500 HD11 ILE 66 HD11 ILE 66 -9.499 6.361 -2.414 501 HD12 ILE 66 HD12 ILE 66 -11.238 6.357 -2.707 502 HD13 ILE 66 HD13 ILE 66 -10.541 5.271 -1.503 503 H ASN 67 HN ASN 67 -8.647 10.707 -0.251 504 HA ASN 67 HA ASN 67 -9.370 13.086 -1.558 505 HB2 ASN 67 HB2 ASN 67 -7.646 12.532 0.851 506 HB3 ASN 67 HB1 ASN 67 -7.944 14.170 0.279 507 HD21 ASN 67 HD21 ASN 67 -10.638 13.687 -0.579 508 HD22 ASN 67 HD22 ASN 67 -11.606 13.493 0.848 509 H ALA 68 HN ALA 68 -6.212 11.518 -1.157 510 HA ALA 68 HA ALA 68 -4.664 13.535 -2.352 511 HB1 ALA 68 HB1 ALA 68 -4.135 10.566 -2.338 512 HB2 ALA 68 HB2 ALA 68 -3.716 11.683 -1.042 513 HB3 ALA 68 HB3 ALA 68 -2.947 11.837 -2.622 514 H VAL 69 HN VAL 69 -6.170 10.638 -3.738 515 HA VAL 69 HA VAL 69 -5.336 11.018 -6.390 516 HB VAL 69 HB VAL 69 -7.827 9.666 -5.339 517 HG11 VAL 69 HG11 VAL 69 -8.123 10.264 -7.680 518 HG12 VAL 69 HG12 VAL 69 -7.926 8.521 -7.498 519 HG13 VAL 69 HG13 VAL 69 -6.584 9.503 -8.082 520 HG21 VAL 69 HG21 VAL 69 -6.548 7.596 -5.717 521 HG22 VAL 69 HG22 VAL 69 -5.783 8.650 -4.526 522 HG23 VAL 69 HG23 VAL 69 -5.145 8.566 -6.168 523 H LYS 70 HN LYS 70 -8.303 12.023 -4.725 524 HA LYS 70 HA LYS 70 -9.541 13.213 -6.948 525 HB2 LYS 70 HB2 LYS 70 -10.752 12.599 -4.901 526 HB3 LYS 70 HB1 LYS 70 -9.888 13.842 -4.007 527 HG2 LYS 70 HG2 LYS 70 -10.956 15.575 -5.297 528 HG3 LYS 70 HG1 LYS 70 -11.733 14.373 -6.330 529 HD2 LYS 70 HD2 LYS 70 -12.167 14.570 -3.351 530 HD3 LYS 70 HD1 LYS 70 -13.212 15.337 -4.548 531 HE2 LYS 70 HE2 LYS 70 -13.748 13.168 -5.503 532 HE3 LYS 70 HE1 LYS 70 -12.641 12.378 -4.381 533 HZ1 LYS 70 HZ1 LYS 70 -14.021 12.883 -2.569 534 HZ2 LYS 70 HZ2 LYS 70 -15.066 12.319 -3.779 535 HZ3 LYS 70 HZ3 LYS 70 -14.958 13.982 -3.461 536 H THR 71 HN THR 71 -7.291 14.497 -4.552 537 HA THR 71 HA THR 71 -7.543 17.215 -5.238 538 HB THR 71 HB THR 71 -5.117 15.794 -4.117 539 HG1 THR 71 HG1 THR 71 -6.977 15.572 -2.794 540 HG21 THR 71 HG21 THR 71 -5.879 18.718 -4.051 541 HG22 THR 71 HG22 THR 71 -4.574 18.014 -5.008 542 HG23 THR 71 HG23 THR 71 -4.487 17.992 -3.246 543 H ARG 72 HN ARG 72 -5.273 14.722 -6.418 544 HA ARG 72 HA ARG 72 -3.953 16.509 -8.203 545 HE ARG 72 HE ARG 72 -1.328 13.607 -9.522 546 HB2 ARG 72 HB2 ARG 72 -4.008 13.512 -7.964 547 HB3 ARG 72 HB1 ARG 72 -3.151 14.317 -9.272 548 HG2 ARG 72 HG2 ARG 72 -1.783 15.517 -7.652 549 HG3 ARG 72 HG1 ARG 72 -2.654 14.734 -6.332 550 HD2 ARG 72 HD2 ARG 72 -0.523 13.632 -6.747 551 HD3 ARG 72 HD1 ARG 72 -1.875 12.559 -7.098 552 HH11 ARG 72 HH11 ARG 72 0.804 12.260 -7.089 553 HH12 ARG 72 HH12 ARG 72 1.839 11.476 -8.241 554 HH21 ARG 72 HH21 ARG 72 0.030 12.597 -11.037 555 HH22 ARG 72 HH22 ARG 72 1.392 11.665 -10.499 556 H LEU 73 HN LEU 73 -6.619 14.221 -8.553 557 HA LEU 73 HA LEU 73 -6.979 14.501 -11.330 558 HG LEU 73 HG LEU 73 -10.111 14.473 -11.365 559 HB2 LEU 73 HB2 LEU 73 -8.054 12.757 -9.971 560 HB3 LEU 73 HB1 LEU 73 -9.041 13.974 -9.188 561 HD11 LEU 73 HD11 LEU 73 -9.792 12.890 -13.220 562 HD12 LEU 73 HD12 LEU 73 -8.472 12.135 -12.327 563 HD13 LEU 73 HD13 LEU 73 -8.330 13.809 -12.862 564 HD21 LEU 73 HD21 LEU 73 -10.230 11.576 -10.539 565 HD22 LEU 73 HD22 LEU 73 -11.452 12.446 -11.467 566 HD23 LEU 73 HD23 LEU 73 -11.127 12.899 -9.795 567 H GLU 74 HN GLU 74 -8.096 16.417 -8.611 568 HA GLU 74 HA GLU 74 -9.921 18.076 -9.933 569 HB2 GLU 74 HB2 GLU 74 -9.791 17.908 -7.507 570 HB3 GLU 74 HB1 GLU 74 -8.184 18.617 -7.518 571 HG2 GLU 74 HG2 GLU 74 -10.521 20.134 -8.602 572 HG3 GLU 74 HG1 GLU 74 -10.228 20.058 -6.868 573 H HIS 75 HN HIS 75 -6.428 18.403 -9.459 574 HA HIS 75 HA HIS 75 -6.245 21.061 -10.406 575 HD1 HIS 75 HD1 HIS 75 -5.256 19.082 -7.520 576 HD2 HIS 75 HD2 HIS 75 -3.237 22.410 -8.981 577 HE1 HIS 75 HE1 HIS 75 -4.732 20.490 -5.511 578 HE2 HIS 75 HE2 HIS 75 -3.718 22.594 -6.445 579 HB2 HIS 75 HB2 HIS 75 -4.232 18.873 -10.008 580 HB3 HIS 75 HB1 HIS 75 -3.768 20.399 -10.750 581 H HIS 76 HN HIS 76 -6.759 18.172 -12.086 582 HA HIS 76 HA HIS 76 -5.752 19.281 -14.597 583 HD1 HIS 76 HD1 HIS 76 -8.134 15.923 -16.153 584 HD2 HIS 76 HD2 HIS 76 -4.455 17.755 -16.808 585 HE1 HIS 76 HE1 HIS 76 -7.692 15.703 -18.623 586 HE2 HIS 76 HE2 HIS 76 -5.383 16.659 -18.963 587 HB2 HIS 76 HB2 HIS 76 -5.304 16.893 -14.119 588 HB3 HIS 76 HB1 HIS 76 -7.037 16.594 -14.037 589 H HIS 77 HN HIS 77 -7.152 20.924 -15.092 590 HA HIS 77 HA HIS 77 -10.021 20.301 -15.074 591 HD1 HIS 77 HD1 HIS 77 -11.844 21.820 -13.502 592 HD2 HIS 77 HD2 HIS 77 -8.017 22.880 -12.280 593 HE1 HIS 77 HE1 HIS 77 -11.950 21.959 -10.991 594 HE2 HIS 77 HE2 HIS 77 -9.561 22.336 -10.275 595 HB2 HIS 77 HB2 HIS 77 -8.523 22.902 -14.951 596 HB3 HIS 77 HB1 HIS 77 -10.227 22.849 -15.384 597 H HIS 78 HN HIS 78 -11.276 21.564 -16.752 598 HA HIS 78 HA HIS 78 -9.969 22.174 -19.244 599 HD1 HIS 78 HD1 HIS 78 -13.482 20.337 -21.124 600 HD2 HIS 78 HD2 HIS 78 -9.457 20.971 -21.972 601 HE1 HIS 78 HE1 HIS 78 -13.355 20.668 -23.605 602 HE2 HIS 78 HE2 HIS 78 -10.971 21.332 -24.039 603 HB2 HIS 78 HB2 HIS 78 -10.296 19.719 -19.449 604 HB3 HIS 78 HB1 HIS 78 -12.012 19.934 -19.128 605 H HIS 79 HN HIS 79 -10.842 24.185 -19.350 606 HA HIS 79 HA HIS 79 -13.515 24.631 -18.346 607 HD1 HIS 79 HD1 HIS 79 -12.943 28.832 -19.940 608 HD2 HIS 79 HD2 HIS 79 -14.534 26.447 -16.924 609 HE1 HIS 79 HE1 HIS 79 -14.927 30.095 -19.047 610 HE2 HIS 79 HE2 HIS 79 -15.989 28.530 -17.378 611 HB2 HIS 79 HB2 HIS 79 -11.612 26.264 -18.028 612 HB3 HIS 79 HB1 HIS 79 -11.758 26.653 -19.741 613 H HIS 80 HN HIS 80 -14.438 23.146 -19.894 614 HA HIS 80 HA HIS 80 -15.960 24.415 -21.837 615 HD1 HIS 80 HD1 HIS 80 -13.837 22.019 -25.346 616 HD2 HIS 80 HD2 HIS 80 -17.144 24.226 -24.118 617 HE1 HIS 80 HE1 HIS 80 -15.543 21.762 -27.173 618 HE2 HIS 80 HE2 HIS 80 -17.604 22.923 -26.311 619 HB2 HIS 80 HB2 HIS 80 -13.963 24.541 -23.228 620 HB3 HIS 80 HB1 HIS 80 -13.637 22.830 -22.972 621 HA MET 1 HA MET 1 3.088 -16.617 -28.545 622 H1 MET 1 HT1 MET 1 1.451 -17.762 -29.877 623 H2 MET 1 HT2 MET 1 2.406 -16.743 -30.842 624 H3 MET 1 HT3 MET 1 0.823 -16.288 -30.430 625 HB2 MET 1 HB2 MET 1 3.012 -14.201 -28.289 626 HB3 MET 1 HB1 MET 1 3.261 -14.601 -29.981 627 HG2 MET 1 HG2 MET 1 0.902 -14.169 -30.433 628 HG3 MET 1 HG1 MET 1 0.648 -13.784 -28.732 629 HE1 MET 1 HE1 MET 1 0.350 -10.275 -30.449 630 HE2 MET 1 HE2 MET 1 -0.414 -11.426 -29.352 631 HE3 MET 1 HE3 MET 1 -0.222 -11.828 -31.059 632 H ALA 2 HN ALA 2 2.388 -15.214 -26.499 633 HA ALA 2 HA ALA 2 -0.420 -15.523 -25.825 634 HB1 ALA 2 HB1 ALA 2 0.451 -17.754 -25.362 635 HB2 ALA 2 HB2 ALA 2 0.024 -16.929 -23.861 636 HB3 ALA 2 HB3 ALA 2 1.716 -17.063 -24.346 637 H GLN 3 HN GLN 3 -0.426 -15.057 -23.179 638 HA GLN 3 HA GLN 3 0.409 -12.403 -22.858 639 HB2 GLN 3 HB2 GLN 3 -0.025 -12.751 -20.430 640 HB3 GLN 3 HB1 GLN 3 -1.349 -13.278 -21.456 641 HG2 GLN 3 HG2 GLN 3 -0.698 -15.585 -21.179 642 HG3 GLN 3 HG1 GLN 3 0.723 -15.101 -20.255 643 HE21 GLN 3 HE21 GLN 3 0.078 -16.285 -18.459 644 HE22 GLN 3 HE22 GLN 3 -1.226 -15.785 -17.443 645 H HIS 4 HN HIS 4 2.268 -11.489 -22.226 646 HA HIS 4 HA HIS 4 4.604 -13.176 -22.226 647 HD1 HIS 4 HD1 HIS 4 3.454 -9.287 -24.142 648 HD2 HIS 4 HD2 HIS 4 5.794 -12.686 -24.692 649 HE1 HIS 4 HE1 HIS 4 3.520 -9.674 -26.623 650 HE2 HIS 4 HE2 HIS 4 5.091 -11.617 -26.946 651 HB2 HIS 4 HB2 HIS 4 4.324 -10.171 -21.994 652 HB3 HIS 4 HB1 HIS 4 5.854 -11.029 -22.156 653 H SER 5 HN SER 5 2.702 -11.430 -19.905 654 HA SER 5 HA SER 5 4.547 -12.278 -17.781 655 HG SER 5 HG SER 5 3.803 -9.406 -18.735 656 HB2 SER 5 HB2 SER 5 2.157 -10.416 -17.636 657 HB3 SER 5 HB1 SER 5 3.269 -10.772 -16.313 658 H LYS 6 HN LYS 6 4.069 -14.080 -16.678 659 HA LYS 6 HA LYS 6 1.678 -15.511 -17.383 660 HB2 LYS 6 HB2 LYS 6 2.629 -17.318 -15.951 661 HB3 LYS 6 HB1 LYS 6 3.685 -16.783 -17.248 662 HG2 LYS 6 HG2 LYS 6 4.970 -15.447 -15.641 663 HG3 LYS 6 HG1 LYS 6 3.913 -16.013 -14.344 664 HD2 LYS 6 HD2 LYS 6 4.600 -18.311 -14.759 665 HD3 LYS 6 HD1 LYS 6 5.615 -17.780 -16.101 666 HE2 LYS 6 HE2 LYS 6 6.989 -16.481 -14.562 667 HE3 LYS 6 HE1 LYS 6 5.962 -16.971 -13.216 668 HZ1 LYS 6 HZ1 LYS 6 7.544 -18.830 -14.914 669 HZ2 LYS 6 HZ2 LYS 6 6.614 -19.254 -13.561 670 HZ3 LYS 6 HZ3 LYS 6 8.000 -18.296 -13.369 671 H TYR 7 HN TYR 7 2.347 -13.278 -14.979 672 HA TYR 7 HA TYR 7 1.238 -12.585 -13.107 673 HD1 TYR 7 HD2 TYR 7 -0.446 -12.817 -16.571 674 HD2 TYR 7 HD1 TYR 7 -1.400 -10.892 -12.902 675 HE1 TYR 7 HE2 TYR 7 -0.908 -10.733 -17.790 676 HE2 TYR 7 HE1 TYR 7 -1.866 -8.808 -14.111 677 HH TYR 7 HH TYR 7 -1.524 -7.719 -16.123 678 HB2 TYR 7 HB2 TYR 7 -0.943 -14.106 -14.530 679 HB3 TYR 7 HB1 TYR 7 -1.235 -13.281 -13.006 680 H SER 8 HN SER 8 2.850 -14.897 -12.740 681 HA SER 8 HA SER 8 1.437 -16.998 -11.503 682 HG SER 8 HG SER 8 2.933 -18.665 -10.725 683 HB2 SER 8 HB2 SER 8 3.640 -17.336 -12.519 684 HB3 SER 8 HB1 SER 8 4.361 -16.275 -11.308 685 H ASP 9 HN ASP 9 0.795 -17.294 -9.487 686 HA ASP 9 HA ASP 9 0.858 -15.317 -7.499 687 HB2 ASP 9 HB2 ASP 9 -0.756 -17.069 -7.296 688 HB3 ASP 9 HB1 ASP 9 0.487 -18.313 -7.356 689 H ALA 10 HN ALA 10 3.156 -17.646 -8.549 690 HA ALA 10 HA ALA 10 4.750 -17.591 -6.135 691 HB1 ALA 10 HB1 ALA 10 5.420 -18.667 -8.878 692 HB2 ALA 10 HB2 ALA 10 4.706 -19.593 -7.558 693 HB3 ALA 10 HB3 ALA 10 6.338 -18.946 -7.399 694 H GLN 11 HN GLN 11 4.625 -16.024 -9.258 695 HA GLN 11 HA GLN 11 7.133 -14.663 -8.969 696 HB2 GLN 11 HB2 GLN 11 5.980 -15.107 -11.160 697 HB3 GLN 11 HB1 GLN 11 4.782 -13.901 -10.713 698 HG2 GLN 11 HG2 GLN 11 6.448 -12.173 -10.709 699 HG3 GLN 11 HG1 GLN 11 7.727 -13.354 -10.988 700 HE21 GLN 11 HE21 GLN 11 7.004 -11.048 -12.596 701 HE22 GLN 11 HE22 GLN 11 6.613 -11.655 -14.173 702 H LEU 12 HN LEU 12 3.743 -13.911 -8.351 703 HA LEU 12 HA LEU 12 4.070 -11.268 -7.458 704 HG LEU 12 HG LEU 12 2.197 -11.420 -5.009 705 HB2 LEU 12 HB2 LEU 12 1.860 -12.171 -7.913 706 HB3 LEU 12 HB1 LEU 12 2.044 -13.347 -6.624 707 HD11 LEU 12 HD11 LEU 12 1.285 -9.855 -7.413 708 HD12 LEU 12 HD12 LEU 12 2.823 -9.679 -6.568 709 HD13 LEU 12 HD13 LEU 12 1.314 -9.261 -5.752 710 HD21 LEU 12 HD21 LEU 12 -0.339 -11.718 -6.606 711 HD22 LEU 12 HD22 LEU 12 -0.222 -10.985 -5.004 712 HD23 LEU 12 HD23 LEU 12 0.156 -12.697 -5.225 713 H SER 13 HN SER 13 3.924 -14.313 -5.605 714 HA SER 13 HA SER 13 4.296 -13.261 -3.072 715 HG SER 13 HG SER 13 3.019 -15.647 -4.365 716 HB2 SER 13 HB2 SER 13 5.261 -15.924 -4.142 717 HB3 SER 13 HB1 SER 13 5.107 -15.507 -2.434 718 H ALA 14 HN ALA 14 6.718 -14.030 -5.518 719 HA ALA 14 HA ALA 14 9.007 -13.686 -3.921 720 HB1 ALA 14 HB1 ALA 14 9.069 -14.720 -6.140 721 HB2 ALA 14 HB2 ALA 14 10.209 -13.379 -6.022 722 HB3 ALA 14 HB3 ALA 14 8.680 -13.165 -6.874 723 H ILE 15 HN ILE 15 7.202 -11.392 -5.954 724 HA ILE 15 HA ILE 15 8.908 -9.189 -5.505 725 HB ILE 15 HB ILE 15 5.985 -9.209 -6.274 726 HG12 ILE 15 HG12 ILE 15 8.502 -9.066 -7.950 727 HG13 ILE 15 HG11 ILE 15 7.415 -10.447 -7.833 728 HG21 ILE 15 HG21 ILE 15 6.351 -6.955 -7.118 729 HG22 ILE 15 HG22 ILE 15 8.021 -6.999 -6.556 730 HG23 ILE 15 HG23 ILE 15 6.698 -7.030 -5.390 731 HD11 ILE 15 HD11 ILE 15 7.038 -9.236 -9.886 732 HD12 ILE 15 HD12 ILE 15 6.755 -7.748 -8.983 733 HD13 ILE 15 HD13 ILE 15 5.630 -9.097 -8.833 734 H VAL 16 HN VAL 16 5.989 -10.301 -3.818 735 HA VAL 16 HA VAL 16 5.827 -8.045 -2.094 736 HB VAL 16 HB VAL 16 4.811 -10.724 -1.212 737 HG11 VAL 16 HG11 VAL 16 3.024 -9.427 -0.268 738 HG12 VAL 16 HG12 VAL 16 3.582 -7.976 -1.105 739 HG13 VAL 16 HG13 VAL 16 4.562 -8.686 0.184 740 HG21 VAL 16 HG21 VAL 16 3.503 -9.023 -3.332 741 HG22 VAL 16 HG22 VAL 16 2.799 -10.446 -2.563 742 HG23 VAL 16 HG23 VAL 16 4.227 -10.612 -3.583 743 H ASN 17 HN ASN 17 7.485 -11.147 -1.925 744 HA ASN 17 HA ASN 17 8.405 -10.905 0.748 745 HB2 ASN 17 HB2 ASN 17 9.085 -12.615 -1.582 746 HB3 ASN 17 HB1 ASN 17 10.335 -12.435 -0.354 747 HD21 ASN 17 HD21 ASN 17 7.159 -13.651 -1.063 748 HD22 ASN 17 HD22 ASN 17 7.000 -14.637 0.360 749 H ASP 18 HN ASP 18 9.785 -9.995 -2.385 750 HA ASP 18 HA ASP 18 12.219 -8.964 -1.571 751 HB2 ASP 18 HB2 ASP 18 10.416 -8.572 -3.859 752 HB3 ASP 18 HB1 ASP 18 11.452 -7.191 -3.517 753 H MET 19 HN MET 19 9.063 -7.355 -1.732 754 HA MET 19 HA MET 19 9.841 -4.821 -0.908 755 HB2 MET 19 HB2 MET 19 7.597 -5.361 -1.759 756 HB3 MET 19 HB1 MET 19 7.251 -6.254 -0.287 757 HG2 MET 19 HG2 MET 19 7.428 -4.211 1.018 758 HG3 MET 19 HG1 MET 19 7.831 -3.304 -0.437 759 HE1 MET 19 HE1 MET 19 5.869 -4.614 -2.595 760 HE2 MET 19 HE2 MET 19 6.150 -2.882 -2.432 761 HE3 MET 19 HE3 MET 19 4.500 -3.507 -2.483 762 H ILE 20 HN ILE 20 8.916 -7.624 1.059 763 HA ILE 20 HA ILE 20 9.199 -6.290 3.560 764 HB ILE 20 HB ILE 20 9.286 -9.254 2.959 765 HG12 ILE 20 HG12 ILE 20 6.976 -7.506 3.846 766 HG13 ILE 20 HG11 ILE 20 7.205 -8.129 2.214 767 HG21 ILE 20 HG21 ILE 20 8.778 -7.812 5.560 768 HG22 ILE 20 HG22 ILE 20 10.240 -8.704 5.141 769 HG23 ILE 20 HG23 ILE 20 8.707 -9.557 5.309 770 HD11 ILE 20 HD11 ILE 20 6.954 -10.397 3.024 771 HD12 ILE 20 HD12 ILE 20 5.563 -9.418 3.490 772 HD13 ILE 20 HD13 ILE 20 6.804 -9.809 4.679 773 H ALA 21 HN ALA 21 11.333 -8.402 1.658 774 HA ALA 21 HA ALA 21 13.404 -8.585 3.568 775 HB1 ALA 21 HB1 ALA 21 14.804 -9.354 1.709 776 HB2 ALA 21 HB2 ALA 21 13.557 -8.850 0.567 777 HB3 ALA 21 HB3 ALA 21 13.228 -10.150 1.716 778 H VAL 22 HN VAL 22 13.097 -6.506 0.686 779 HA VAL 22 HA VAL 22 15.533 -5.136 1.074 780 HB VAL 22 HB VAL 22 13.072 -4.129 -0.372 781 HG11 VAL 22 HG11 VAL 22 14.733 -2.391 0.050 782 HG12 VAL 22 HG12 VAL 22 14.656 -2.788 -1.666 783 HG13 VAL 22 HG13 VAL 22 15.981 -3.401 -0.679 784 HG21 VAL 22 HG21 VAL 22 15.367 -5.810 -1.387 785 HG22 VAL 22 HG22 VAL 22 14.134 -5.069 -2.403 786 HG23 VAL 22 HG23 VAL 22 13.680 -6.314 -1.238 787 H LEU 23 HN LEU 23 12.318 -4.680 2.348 788 HA LEU 23 HA LEU 23 12.560 -2.117 3.449 789 HG LEU 23 HG LEU 23 11.063 -2.227 5.939 790 HB2 LEU 23 HB2 LEU 23 10.504 -3.615 3.321 791 HB3 LEU 23 HB1 LEU 23 11.127 -4.441 4.736 792 HD11 LEU 23 HD11 LEU 23 9.512 -1.428 3.478 793 HD12 LEU 23 HD12 LEU 23 11.063 -0.769 4.001 794 HD13 LEU 23 HD13 LEU 23 9.617 -0.493 4.971 795 HD21 LEU 23 HD21 LEU 23 8.461 -3.316 4.869 796 HD22 LEU 23 HD22 LEU 23 8.646 -2.320 6.313 797 HD23 LEU 23 HD23 LEU 23 9.353 -3.935 6.258 798 H GLU 24 HN GLU 24 13.334 -5.299 4.825 799 HA GLU 24 HA GLU 24 14.472 -4.233 7.222 800 HB2 GLU 24 HB2 GLU 24 14.416 -6.950 5.948 801 HB3 GLU 24 HB1 GLU 24 15.436 -6.640 7.346 802 HG2 GLU 24 HG2 GLU 24 12.475 -6.120 7.302 803 HG3 GLU 24 HG1 GLU 24 13.202 -7.627 7.859 804 H LYS 25 HN LYS 25 15.682 -4.985 4.047 805 HA LYS 25 HA LYS 25 18.445 -4.988 4.660 806 HB2 LYS 25 HB2 LYS 25 16.995 -4.298 2.100 807 HB3 LYS 25 HB1 LYS 25 18.741 -4.457 2.226 808 HG2 LYS 25 HG2 LYS 25 16.778 -6.650 2.862 809 HG3 LYS 25 HG1 LYS 25 17.614 -6.461 1.321 810 HD2 LYS 25 HD2 LYS 25 19.003 -6.787 3.976 811 HD3 LYS 25 HD1 LYS 25 18.672 -8.114 2.860 812 HE2 LYS 25 HE2 LYS 25 19.992 -6.970 1.136 813 HE3 LYS 25 HE1 LYS 25 20.342 -5.673 2.276 814 HZ1 LYS 25 HZ1 LYS 25 21.189 -8.513 2.489 815 HZ2 LYS 25 HZ2 LYS 25 21.401 -7.370 3.721 816 HZ3 LYS 25 HZ3 LYS 25 22.182 -7.165 2.228 817 H HIS 26 HN HIS 26 16.143 -2.481 4.581 818 HA HIS 26 HA HIS 26 18.317 -0.494 4.790 819 HD1 HIS 26 HD1 HIS 26 16.366 -1.532 1.715 820 HD2 HIS 26 HD2 HIS 26 18.188 2.130 2.459 821 HE1 HIS 26 HE1 HIS 26 17.644 -0.972 -0.379 822 HE2 HIS 26 HE2 HIS 26 18.581 1.333 0.030 823 HB2 HIS 26 HB2 HIS 26 15.471 -0.195 3.835 824 HB3 HIS 26 HB1 HIS 26 16.433 1.191 4.336 825 H LYS 27 HN LYS 27 16.095 -2.270 6.422 826 HA LYS 27 HA LYS 27 15.102 -2.282 8.430 827 HB2 LYS 27 HB2 LYS 27 17.562 -1.983 9.052 828 HB3 LYS 27 HB1 LYS 27 17.165 -0.295 9.353 829 HG2 LYS 27 HG2 LYS 27 17.101 -1.593 11.413 830 HG3 LYS 27 HG1 LYS 27 15.498 -0.968 11.006 831 HD2 LYS 27 HD2 LYS 27 15.065 -3.206 9.894 832 HD3 LYS 27 HD1 LYS 27 16.542 -3.771 10.674 833 HE2 LYS 27 HE2 LYS 27 15.592 -3.242 12.861 834 HE3 LYS 27 HE1 LYS 27 14.121 -2.653 12.085 835 HZ1 LYS 27 HZ1 LYS 27 13.878 -4.916 11.107 836 HZ2 LYS 27 HZ2 LYS 27 13.721 -4.867 12.795 837 HZ3 LYS 27 HZ3 LYS 27 15.157 -5.430 12.094 838 H ALA 28 HN ALA 28 13.330 -1.142 7.335 839 HA ALA 28 HA ALA 28 12.987 1.621 8.227 840 HB1 ALA 28 HB1 ALA 28 12.481 1.156 5.887 841 HB2 ALA 28 HB2 ALA 28 11.028 1.652 6.757 842 HB3 ALA 28 HB3 ALA 28 11.289 -0.049 6.377 843 HA PRO 29 HA PRO 29 10.573 0.085 11.673 844 HB2 PRO 29 HB2 PRO 29 9.862 2.910 12.044 845 HB3 PRO 29 HB1 PRO 29 10.745 1.829 13.124 846 HG2 PRO 29 HG2 PRO 29 11.945 3.858 11.819 847 HG3 PRO 29 HG1 PRO 29 12.782 2.340 12.185 848 HD2 PRO 29 HD2 PRO 29 11.575 3.268 9.612 849 HD3 PRO 29 HD1 PRO 29 13.092 2.389 9.892 850 H VAL 30 HN VAL 30 8.322 0.128 12.325 851 HA VAL 30 HA VAL 30 6.564 -0.236 10.206 852 HB VAL 30 HB VAL 30 6.158 -1.239 12.376 853 HG11 VAL 30 HG11 VAL 30 5.296 0.052 14.263 854 HG12 VAL 30 HG12 VAL 30 5.524 1.543 13.349 855 HG13 VAL 30 HG13 VAL 30 6.921 0.571 13.813 856 HG21 VAL 30 HG21 VAL 30 3.928 0.614 11.552 857 HG22 VAL 30 HG22 VAL 30 3.751 -0.815 12.571 858 HG23 VAL 30 HG23 VAL 30 4.258 -0.989 10.891 859 H ASP 31 HN ASP 31 7.090 2.651 12.164 860 HA ASP 31 HA ASP 31 4.840 4.075 11.197 861 HB2 ASP 31 HB2 ASP 31 6.071 6.080 12.124 862 HB3 ASP 31 HB1 ASP 31 5.775 4.776 13.268 863 H LEU 32 HN LEU 32 8.299 4.294 10.331 864 HA LEU 32 HA LEU 32 7.841 6.189 8.266 865 HG LEU 32 HG LEU 32 9.862 6.140 10.538 866 HB2 LEU 32 HB2 LEU 32 10.195 4.395 8.835 867 HB3 LEU 32 HB1 LEU 32 10.186 5.622 7.582 868 HD11 LEU 32 HD11 LEU 32 12.179 6.661 8.685 869 HD12 LEU 32 HD12 LEU 32 12.122 5.459 9.975 870 HD13 LEU 32 HD13 LEU 32 12.068 7.178 10.367 871 HD21 LEU 32 HD21 LEU 32 8.630 7.758 9.222 872 HD22 LEU 32 HD22 LEU 32 10.040 8.040 8.203 873 HD23 LEU 32 HD23 LEU 32 10.074 8.507 9.903 874 H SER 33 HN SER 33 8.106 2.676 8.325 875 HA SER 33 HA SER 33 8.162 2.242 5.549 876 HG SER 33 HG SER 33 7.961 -0.973 5.857 877 HB2 SER 33 HB2 SER 33 8.618 0.475 7.218 878 HB3 SER 33 HB1 SER 33 6.926 0.510 7.706 879 H LEU 34 HN LEU 34 5.520 2.709 7.817 880 HA LEU 34 HA LEU 34 3.399 2.122 6.065 881 HG LEU 34 HG LEU 34 1.353 1.972 7.253 882 HB2 LEU 34 HB2 LEU 34 3.486 2.419 8.655 883 HB3 LEU 34 HB1 LEU 34 3.190 4.110 8.303 884 HD11 LEU 34 HD11 LEU 34 -0.024 2.249 9.236 885 HD12 LEU 34 HD12 LEU 34 1.164 3.350 9.930 886 HD13 LEU 34 HD13 LEU 34 1.578 1.653 9.679 887 HD21 LEU 34 HD21 LEU 34 -0.275 3.777 7.264 888 HD22 LEU 34 HD22 LEU 34 1.149 4.253 6.340 889 HD23 LEU 34 HD23 LEU 34 0.910 4.874 7.973 890 H ILE 35 HN ILE 35 5.126 5.127 6.808 891 HA ILE 35 HA ILE 35 3.373 6.761 5.259 892 HB ILE 35 HB ILE 35 6.201 7.441 6.072 893 HG12 ILE 35 HG12 ILE 35 3.615 7.939 7.572 894 HG13 ILE 35 HG11 ILE 35 4.822 6.737 8.015 895 HG21 ILE 35 HG21 ILE 35 5.382 9.754 5.931 896 HG22 ILE 35 HG22 ILE 35 3.817 9.157 5.379 897 HG23 ILE 35 HG23 ILE 35 5.254 8.916 4.385 898 HD11 ILE 35 HD11 ILE 35 5.263 9.711 7.932 899 HD12 ILE 35 HD12 ILE 35 6.443 8.496 8.425 900 HD13 ILE 35 HD13 ILE 35 4.982 8.747 9.381 901 H ALA 36 HN ALA 36 6.665 5.456 4.629 902 HA ALA 36 HA ALA 36 6.990 6.228 2.020 903 HB1 ALA 36 HB1 ALA 36 8.409 4.266 1.755 904 HB2 ALA 36 HB2 ALA 36 7.708 3.542 3.203 905 HB3 ALA 36 HB3 ALA 36 8.676 5.011 3.330 906 H LEU 37 HN LEU 37 5.314 3.318 3.218 907 HA LEU 37 HA LEU 37 4.479 2.332 0.732 908 HG LEU 37 HG LEU 37 1.876 1.085 1.301 909 HB2 LEU 37 HB2 LEU 37 4.395 1.151 2.962 910 HB3 LEU 37 HB1 LEU 37 2.965 2.094 3.332 911 HD11 LEU 37 HD11 LEU 37 3.870 0.418 0.096 912 HD12 LEU 37 HD12 LEU 37 2.863 -0.993 0.425 913 HD13 LEU 37 HD13 LEU 37 4.307 -0.696 1.392 914 HD21 LEU 37 HD21 LEU 37 1.445 -1.085 2.390 915 HD22 LEU 37 HD22 LEU 37 1.348 0.272 3.512 916 HD23 LEU 37 HD23 LEU 37 2.775 -0.766 3.504 917 H GLY 38 HN GLY 38 3.032 4.686 2.919 918 HA2 GLY 38 HA2 GLY 38 0.597 5.051 1.549 919 HA3 GLY 38 HA1 GLY 38 1.355 6.220 2.619 920 H ASN 39 HN ASN 39 3.632 6.927 1.372 921 HA ASN 39 HA ASN 39 2.817 8.674 -0.656 922 HB2 ASN 39 HB2 ASN 39 5.578 7.608 -0.036 923 HB3 ASN 39 HB1 ASN 39 5.259 8.929 -1.154 924 HD21 ASN 39 HD21 ASN 39 6.863 8.984 1.212 925 HD22 ASN 39 HD22 ASN 39 6.163 10.152 2.275 926 H MET 40 HN MET 40 4.281 5.474 -0.815 927 HA MET 40 HA MET 40 4.643 5.315 -3.595 928 HB2 MET 40 HB2 MET 40 5.613 3.737 -1.927 929 HB3 MET 40 HB1 MET 40 4.012 3.068 -1.664 930 HG2 MET 40 HG2 MET 40 5.305 3.063 -4.370 931 HG3 MET 40 HG1 MET 40 5.610 1.797 -3.187 932 HE1 MET 40 HE1 MET 40 4.802 -0.047 -4.889 933 HE2 MET 40 HE2 MET 40 4.497 1.194 -6.106 934 HE3 MET 40 HE3 MET 40 3.253 0.002 -5.735 935 H ALA 41 HN ALA 41 1.976 4.034 -1.591 936 HA ALA 41 HA ALA 41 0.377 3.090 -3.660 937 HB1 ALA 41 HB1 ALA 41 -0.534 4.213 -1.015 938 HB2 ALA 41 HB2 ALA 41 0.024 2.563 -1.292 939 HB3 ALA 41 HB3 ALA 41 -1.456 3.135 -2.063 940 H SER 42 HN SER 42 0.333 6.273 -2.089 941 HA SER 42 HA SER 42 -1.846 7.353 -3.441 942 HG SER 42 HG SER 42 -0.185 7.797 -0.734 943 HB2 SER 42 HB2 SER 42 0.632 8.817 -2.493 944 HB3 SER 42 HB1 SER 42 -0.942 9.542 -2.821 945 H ASN 43 HN ASN 43 1.619 7.649 -4.231 946 HA ASN 43 HA ASN 43 1.170 9.184 -6.571 947 HB2 ASN 43 HB2 ASN 43 3.305 9.078 -5.209 948 HB3 ASN 43 HB1 ASN 43 3.628 7.531 -5.985 949 HD21 ASN 43 HD21 ASN 43 5.479 8.275 -6.998 950 HD22 ASN 43 HD22 ASN 43 5.438 9.386 -8.320 951 H LEU 44 HN LEU 44 1.313 5.756 -5.959 952 HA LEU 44 HA LEU 44 1.722 4.847 -8.595 953 HG LEU 44 HG LEU 44 -0.123 2.404 -8.571 954 HB2 LEU 44 HB2 LEU 44 1.914 3.420 -6.588 955 HB3 LEU 44 HB1 LEU 44 0.181 3.528 -6.354 956 HD11 LEU 44 HD11 LEU 44 2.856 2.002 -8.345 957 HD12 LEU 44 HD12 LEU 44 2.015 2.948 -9.573 958 HD13 LEU 44 HD13 LEU 44 1.802 1.198 -9.507 959 HD21 LEU 44 HD21 LEU 44 0.418 0.173 -7.743 960 HD22 LEU 44 HD22 LEU 44 -0.275 1.173 -6.464 961 HD23 LEU 44 HD23 LEU 44 1.464 0.879 -6.508 962 H LEU 45 HN LEU 45 -1.303 5.276 -6.748 963 HA LEU 45 HA LEU 45 -2.925 4.551 -8.987 964 HG LEU 45 HG LEU 45 -3.998 3.094 -7.718 965 HB2 LEU 45 HB2 LEU 45 -3.504 5.633 -6.261 966 HB3 LEU 45 HB1 LEU 45 -4.774 5.546 -7.470 967 HD11 LEU 45 HD11 LEU 45 -2.041 3.208 -6.322 968 HD12 LEU 45 HD12 LEU 45 -3.215 2.088 -5.630 969 HD13 LEU 45 HD13 LEU 45 -3.023 3.701 -4.943 970 HD21 LEU 45 HD21 LEU 45 -5.611 2.398 -6.011 971 HD22 LEU 45 HD22 LEU 45 -6.202 3.766 -6.956 972 HD23 LEU 45 HD23 LEU 45 -5.574 4.024 -5.328 973 H THR 46 HN THR 46 -1.475 7.439 -7.996 974 HA THR 46 HA THR 46 -3.327 9.018 -9.618 975 HB THR 46 HB THR 46 -1.971 10.988 -8.782 976 HG1 THR 46 HG1 THR 46 -1.035 9.148 -6.833 977 HG21 THR 46 HG21 THR 46 -4.126 10.437 -7.818 978 HG22 THR 46 HG22 THR 46 -3.011 10.927 -6.541 979 HG23 THR 46 HG23 THR 46 -3.380 9.220 -6.783 980 H THR 47 HN THR 47 -0.585 7.296 -10.254 981 HA THR 47 HA THR 47 0.078 9.129 -12.455 982 HB THR 47 HB THR 47 2.129 7.556 -10.894 983 HG1 THR 47 HG1 THR 47 1.706 9.203 -9.570 984 HG21 THR 47 HG21 THR 47 2.417 9.617 -13.085 985 HG22 THR 47 HG22 THR 47 2.777 7.895 -13.219 986 HG23 THR 47 HG23 THR 47 3.749 8.920 -12.162 987 H SER 48 HN SER 48 0.078 5.763 -11.312 988 HA SER 48 HA SER 48 1.047 4.842 -13.878 989 HG SER 48 HG SER 48 2.836 3.626 -12.576 990 HB2 SER 48 HB2 SER 48 0.293 3.353 -11.361 991 HB3 SER 48 HB1 SER 48 0.914 2.577 -12.820 992 H VAL 49 HN VAL 49 -2.002 4.736 -12.080 993 HA VAL 49 HA VAL 49 -3.212 3.247 -14.284 994 HB VAL 49 HB VAL 49 -5.183 2.993 -12.878 995 HG11 VAL 49 HG11 VAL 49 -3.391 1.366 -12.642 996 HG12 VAL 49 HG12 VAL 49 -4.201 1.625 -11.097 997 HG13 VAL 49 HG13 VAL 49 -2.629 2.364 -11.401 998 HG21 VAL 49 HG21 VAL 49 -3.686 4.644 -10.846 999 HG22 VAL 49 HG22 VAL 49 -5.212 3.804 -10.570 1000 HG23 VAL 49 HG23 VAL 49 -5.136 5.132 -11.728 1001 HA PRO 50 HA PRO 50 -5.194 6.629 -16.291 1002 HB2 PRO 50 HB2 PRO 50 -7.740 5.103 -16.100 1003 HB3 PRO 50 HB1 PRO 50 -6.920 5.755 -17.524 1004 HG2 PRO 50 HG2 PRO 50 -6.878 3.143 -17.011 1005 HG3 PRO 50 HG1 PRO 50 -5.451 3.971 -17.659 1006 HD2 PRO 50 HD2 PRO 50 -6.007 3.057 -14.868 1007 HD3 PRO 50 HD1 PRO 50 -4.486 3.026 -15.785 1008 H GLN 51 HN GLN 51 -5.854 8.510 -15.486 1009 HA GLN 51 HA GLN 51 -6.956 8.626 -12.835 1010 HB2 GLN 51 HB2 GLN 51 -6.330 10.808 -14.827 1011 HB3 GLN 51 HB1 GLN 51 -6.874 11.097 -13.180 1012 HG2 GLN 51 HG2 GLN 51 -4.309 9.771 -14.032 1013 HG3 GLN 51 HG1 GLN 51 -4.498 11.355 -13.282 1014 HE21 GLN 51 HE21 GLN 51 -4.412 7.933 -12.762 1015 HE22 GLN 51 HE22 GLN 51 -4.426 7.988 -11.031 1016 H THR 52 HN THR 52 -8.343 8.179 -15.799 1017 HA THR 52 HA THR 52 -10.770 9.645 -15.361 1018 HB THR 52 HB THR 52 -10.080 9.102 -17.645 1019 HG1 THR 52 HG1 THR 52 -12.468 8.926 -16.742 1020 HG21 THR 52 HG21 THR 52 -10.189 6.798 -18.490 1021 HG22 THR 52 HG22 THR 52 -10.516 6.221 -16.855 1022 HG23 THR 52 HG23 THR 52 -8.967 6.973 -17.231 1023 H GLN 53 HN GLN 53 -9.445 6.752 -14.164 1024 HA GLN 53 HA GLN 53 -12.059 5.971 -13.073 1025 HB2 GLN 53 HB2 GLN 53 -10.048 4.138 -14.385 1026 HB3 GLN 53 HB1 GLN 53 -11.389 3.569 -13.402 1027 HG2 GLN 53 HG2 GLN 53 -12.980 4.495 -14.954 1028 HG3 GLN 53 HG1 GLN 53 -11.682 5.214 -15.904 1029 HE21 GLN 53 HE21 GLN 53 -12.348 4.111 -17.750 1030 HE22 GLN 53 HE22 GLN 53 -12.058 2.415 -17.952 1031 H CYS 54 HN CYS 54 -9.191 7.107 -12.276 1032 HA CYS 54 HA CYS 54 -8.075 5.217 -10.510 1033 HG CYS 54 HG CYS 54 -6.899 9.744 -10.496 1034 HB2 CYS 54 HB2 CYS 54 -6.827 7.174 -9.582 1035 HB3 CYS 54 HB1 CYS 54 -6.718 7.021 -11.332 1036 H GLU 55 HN GLU 55 -10.335 7.890 -9.977 1037 HA GLU 55 HA GLU 55 -10.379 7.702 -7.159 1038 HB2 GLU 55 HB2 GLU 55 -11.128 9.635 -8.661 1039 HB3 GLU 55 HB1 GLU 55 -12.618 8.740 -8.893 1040 HG2 GLU 55 HG2 GLU 55 -11.760 9.239 -6.106 1041 HG3 GLU 55 HG1 GLU 55 -12.331 10.619 -7.042 1042 H ALA 56 HN ALA 56 -12.232 6.155 -9.709 1043 HA ALA 56 HA ALA 56 -14.123 4.885 -8.007 1044 HB1 ALA 56 HB1 ALA 56 -13.232 4.135 -10.791 1045 HB2 ALA 56 HB2 ALA 56 -14.561 5.220 -10.382 1046 HB3 ALA 56 HB3 ALA 56 -14.657 3.510 -9.961 1047 H LEU 57 HN LEU 57 -11.117 3.764 -9.564 1048 HA LEU 57 HA LEU 57 -11.221 1.150 -8.504 1049 HG LEU 57 HG LEU 57 -9.965 -0.059 -10.273 1050 HB2 LEU 57 HB2 LEU 57 -9.165 2.824 -9.829 1051 HB3 LEU 57 HB1 LEU 57 -8.590 1.449 -8.907 1052 HD11 LEU 57 HD11 LEU 57 -11.778 1.489 -10.824 1053 HD12 LEU 57 HD12 LEU 57 -11.099 0.741 -12.269 1054 HD13 LEU 57 HD13 LEU 57 -10.680 2.405 -11.858 1055 HD21 LEU 57 HD21 LEU 57 -8.689 0.146 -12.345 1056 HD22 LEU 57 HD22 LEU 57 -7.667 0.411 -10.932 1057 HD23 LEU 57 HD23 LEU 57 -8.216 1.784 -11.893 1058 H ALA 58 HN ALA 58 -9.771 4.138 -7.294 1059 HA ALA 58 HA ALA 58 -8.451 2.989 -5.072 1060 HB1 ALA 58 HB1 ALA 58 -7.975 5.262 -5.885 1061 HB2 ALA 58 HB2 ALA 58 -8.368 5.248 -4.166 1062 HB3 ALA 58 HB3 ALA 58 -9.570 5.783 -5.341 1063 H GLN 59 HN GLN 59 -11.725 4.164 -5.579 1064 HA GLN 59 HA GLN 59 -12.614 3.981 -2.901 1065 HB2 GLN 59 HB2 GLN 59 -13.739 5.186 -4.831 1066 HB3 GLN 59 HB1 GLN 59 -14.298 3.614 -5.381 1067 HG2 GLN 59 HG2 GLN 59 -16.043 4.712 -4.156 1068 HG3 GLN 59 HG1 GLN 59 -15.479 3.310 -3.248 1069 HE21 GLN 59 HE21 GLN 59 -15.506 6.788 -3.424 1070 HE22 GLN 59 HE22 GLN 59 -15.022 7.070 -1.791 1071 H ALA 60 HN ALA 60 -12.576 1.711 -5.602 1072 HA ALA 60 HA ALA 60 -13.912 -0.398 -4.260 1073 HB1 ALA 60 HB1 ALA 60 -11.967 -0.533 -6.564 1074 HB2 ALA 60 HB2 ALA 60 -13.712 -0.316 -6.695 1075 HB3 ALA 60 HB3 ALA 60 -13.058 -1.821 -6.051 1076 H PHE 61 HN PHE 61 -10.481 0.319 -4.802 1077 HA PHE 61 HA PHE 61 -9.363 -1.911 -3.569 1078 HD1 PHE 61 HD1 PHE 61 -7.050 -2.351 -4.953 1079 HD2 PHE 61 HD2 PHE 61 -6.434 0.580 -1.921 1080 HE1 PHE 61 HE1 PHE 61 -4.936 -3.438 -4.330 1081 HE2 PHE 61 HE2 PHE 61 -4.323 -0.505 -1.300 1082 HZ PHE 61 HZ PHE 61 -3.570 -2.515 -2.503 1083 HB2 PHE 61 HB2 PHE 61 -8.211 -0.111 -4.960 1084 HB3 PHE 61 HB1 PHE 61 -8.167 0.862 -3.497 1085 H SER 62 HN SER 62 -10.218 1.239 -2.178 1086 HA SER 62 HA SER 62 -9.241 0.739 0.405 1087 HG SER 62 HG SER 62 -11.172 3.086 -1.674 1088 HB2 SER 62 HB2 SER 62 -10.883 2.589 1.052 1089 HB3 SER 62 HB1 SER 62 -9.668 2.992 -0.160 1090 H ASN 63 HN ASN 63 -12.602 0.570 -0.790 1091 HA ASN 63 HA ASN 63 -13.721 -0.441 1.566 1092 HB2 ASN 63 HB2 ASN 63 -14.596 -0.491 -1.304 1093 HB3 ASN 63 HB1 ASN 63 -15.518 -1.362 -0.082 1094 HD21 ASN 63 HD21 ASN 63 -14.547 1.754 -1.271 1095 HD22 ASN 63 HD22 ASN 63 -15.666 2.680 -0.326 1096 H SER 64 HN SER 64 -12.220 -2.113 -1.153 1097 HA SER 64 HA SER 64 -12.902 -4.734 -0.367 1098 HG SER 64 HG SER 64 -11.791 -6.204 -2.427 1099 HB2 SER 64 HB2 SER 64 -11.962 -4.088 -2.607 1100 HB3 SER 64 HB1 SER 64 -10.394 -3.872 -1.831 1101 H LEU 65 HN LEU 65 -10.174 -2.621 0.432 1102 HA LEU 65 HA LEU 65 -8.805 -4.499 2.043 1103 HG LEU 65 HG LEU 65 -7.728 -2.412 0.023 1104 HB2 LEU 65 HB2 LEU 65 -8.745 -1.487 2.026 1105 HB3 LEU 65 HB1 LEU 65 -7.705 -2.467 3.041 1106 HD11 LEU 65 HD11 LEU 65 -5.483 -1.481 0.289 1107 HD12 LEU 65 HD12 LEU 65 -5.682 -1.499 2.042 1108 HD13 LEU 65 HD13 LEU 65 -6.701 -0.456 1.049 1109 HD21 LEU 65 HD21 LEU 65 -5.975 -4.011 1.891 1110 HD22 LEU 65 HD22 LEU 65 -5.846 -3.945 0.133 1111 HD23 LEU 65 HD23 LEU 65 -7.268 -4.669 0.887 1112 H ILE 66 HN ILE 66 -11.406 -2.233 2.702 1113 HA ILE 66 HA ILE 66 -11.322 -2.300 5.503 1114 HB ILE 66 HB ILE 66 -13.820 -2.134 3.807 1115 HG12 ILE 66 HG12 ILE 66 -12.261 -0.417 3.089 1116 HG13 ILE 66 HG11 ILE 66 -13.554 0.326 4.022 1117 HG21 ILE 66 HG21 ILE 66 -14.757 -0.922 5.724 1118 HG22 ILE 66 HG22 ILE 66 -13.266 -1.208 6.622 1119 HG23 ILE 66 HG23 ILE 66 -14.285 -2.567 6.149 1120 HD11 ILE 66 HD11 ILE 66 -12.102 0.506 5.947 1121 HD12 ILE 66 HD12 ILE 66 -11.358 1.266 4.539 1122 HD13 ILE 66 HD13 ILE 66 -10.811 -0.322 5.074 1123 H ASN 67 HN ASN 67 -13.129 -4.337 3.219 1124 HA ASN 67 HA ASN 67 -14.158 -6.099 5.192 1125 HB2 ASN 67 HB2 ASN 67 -13.724 -6.516 2.227 1126 HB3 ASN 67 HB1 ASN 67 -14.598 -7.633 3.267 1127 HD21 ASN 67 HD21 ASN 67 -15.552 -6.215 0.958 1128 HD22 ASN 67 HD22 ASN 67 -16.889 -5.246 1.481 1129 H ALA 68 HN ALA 68 -11.213 -6.007 3.315 1130 HA ALA 68 HA ALA 68 -10.291 -8.603 3.892 1131 HB1 ALA 68 HB1 ALA 68 -8.092 -7.786 3.232 1132 HB2 ALA 68 HB2 ALA 68 -8.676 -6.123 3.313 1133 HB3 ALA 68 HB3 ALA 68 -9.334 -7.232 2.108 1134 H VAL 69 HN VAL 69 -9.784 -5.491 5.531 1135 HA VAL 69 HA VAL 69 -8.014 -6.360 7.515 1136 HB VAL 69 HB VAL 69 -10.072 -4.147 7.567 1137 HG11 VAL 69 HG11 VAL 69 -7.901 -4.708 9.584 1138 HG12 VAL 69 HG12 VAL 69 -9.638 -4.823 9.863 1139 HG13 VAL 69 HG13 VAL 69 -8.901 -3.257 9.527 1140 HG21 VAL 69 HG21 VAL 69 -8.282 -3.842 5.958 1141 HG22 VAL 69 HG22 VAL 69 -7.079 -4.146 7.209 1142 HG23 VAL 69 HG23 VAL 69 -8.095 -2.707 7.295 1143 H LYS 70 HN LYS 70 -11.559 -6.167 7.581 1144 HA LYS 70 HA LYS 70 -11.971 -7.126 10.166 1145 HB2 LYS 70 HB2 LYS 70 -13.703 -7.514 7.716 1146 HB3 LYS 70 HB1 LYS 70 -14.225 -7.768 9.375 1147 HG2 LYS 70 HG2 LYS 70 -13.907 -5.419 9.870 1148 HG3 LYS 70 HG1 LYS 70 -13.292 -5.136 8.240 1149 HD2 LYS 70 HD2 LYS 70 -15.453 -5.834 7.316 1150 HD3 LYS 70 HD1 LYS 70 -16.062 -6.097 8.950 1151 HE2 LYS 70 HE2 LYS 70 -15.114 -3.461 7.826 1152 HE3 LYS 70 HE1 LYS 70 -16.797 -3.942 8.027 1153 HZ1 LYS 70 HZ1 LYS 70 -14.790 -3.407 10.149 1154 HZ2 LYS 70 HZ2 LYS 70 -16.263 -4.189 10.459 1155 HZ3 LYS 70 HZ3 LYS 70 -16.256 -2.601 9.869 1156 H THR 71 HN THR 71 -11.563 -8.865 7.122 1157 HA THR 71 HA THR 71 -12.041 -11.450 8.221 1158 HB THR 71 HB THR 71 -10.547 -10.764 5.681 1159 HG1 THR 71 HG1 THR 71 -12.573 -9.818 5.542 1160 HG21 THR 71 HG21 THR 71 -12.053 -13.246 6.527 1161 HG22 THR 71 HG22 THR 71 -10.302 -13.094 6.376 1162 HG23 THR 71 HG23 THR 71 -11.323 -12.980 4.943 1163 H ARG 72 HN ARG 72 -9.142 -9.545 7.542 1164 HA ARG 72 HA ARG 72 -7.169 -11.451 8.071 1165 HE ARG 72 HE ARG 72 -5.268 -9.295 4.408 1166 HB2 ARG 72 HB2 ARG 72 -7.215 -8.465 8.485 1167 HB3 ARG 72 HB1 ARG 72 -5.777 -9.434 8.754 1168 HG2 ARG 72 HG2 ARG 72 -7.216 -9.436 6.127 1169 HG3 ARG 72 HG1 ARG 72 -6.009 -8.215 6.533 1170 HD2 ARG 72 HD2 ARG 72 -4.433 -10.126 7.033 1171 HD3 ARG 72 HD1 ARG 72 -5.630 -11.190 6.294 1172 HH11 ARG 72 HH11 ARG 72 -3.012 -11.257 6.218 1173 HH12 ARG 72 HH12 ARG 72 -1.834 -11.302 4.950 1174 HH21 ARG 72 HH21 ARG 72 -3.722 -9.349 2.735 1175 HH22 ARG 72 HH22 ARG 72 -2.236 -10.215 2.954 1176 H LEU 73 HN LEU 73 -8.622 -9.056 10.251 1177 HA LEU 73 HA LEU 73 -7.180 -9.861 12.537 1178 HG LEU 73 HG LEU 73 -9.287 -9.150 14.688 1179 HB2 LEU 73 HB2 LEU 73 -8.268 -7.656 12.268 1180 HB3 LEU 73 HB1 LEU 73 -9.834 -8.435 12.381 1181 HD11 LEU 73 HD11 LEU 73 -6.822 -7.461 14.293 1182 HD12 LEU 73 HD12 LEU 73 -6.863 -9.211 14.506 1183 HD13 LEU 73 HD13 LEU 73 -7.363 -8.150 15.823 1184 HD21 LEU 73 HD21 LEU 73 -10.536 -7.081 14.242 1185 HD22 LEU 73 HD22 LEU 73 -9.016 -6.185 14.222 1186 HD23 LEU 73 HD23 LEU 73 -9.558 -6.968 15.706 1187 H GLU 74 HN GLU 74 -10.503 -10.584 11.472 1188 HA GLU 74 HA GLU 74 -10.808 -12.448 13.669 1189 HB2 GLU 74 HB2 GLU 74 -12.714 -11.700 11.447 1190 HB3 GLU 74 HB1 GLU 74 -13.099 -12.772 12.788 1191 HG2 GLU 74 HG2 GLU 74 -12.373 -9.857 12.984 1192 HG3 GLU 74 HG1 GLU 74 -13.979 -10.555 13.192 1193 H HIS 75 HN HIS 75 -8.987 -13.727 12.853 1194 HA HIS 75 HA HIS 75 -9.996 -15.802 11.018 1195 HD1 HIS 75 HD1 HIS 75 -9.870 -16.196 8.956 1196 HD2 HIS 75 HD2 HIS 75 -6.536 -13.719 8.696 1197 HE1 HIS 75 HE1 HIS 75 -9.742 -15.481 6.555 1198 HE2 HIS 75 HE2 HIS 75 -7.614 -14.150 6.377 1199 HB2 HIS 75 HB2 HIS 75 -7.305 -14.529 11.194 1200 HB3 HIS 75 HB1 HIS 75 -7.358 -16.257 10.877 1201 H HIS 76 HN HIS 76 -9.857 -17.885 11.719 1202 HA HIS 76 HA HIS 76 -9.121 -18.286 14.508 1203 HD1 HIS 76 HD1 HIS 76 -11.339 -19.368 16.075 1204 HD2 HIS 76 HD2 HIS 76 -9.530 -22.552 14.097 1205 HE1 HIS 76 HE1 HIS 76 -11.308 -21.268 17.725 1206 HE2 HIS 76 HE2 HIS 76 -10.045 -23.118 16.569 1207 HB2 HIS 76 HB2 HIS 76 -11.258 -19.186 13.417 1208 HB3 HIS 76 HB1 HIS 76 -10.226 -20.349 12.594 1209 H HIS 77 HN HIS 77 -7.316 -17.952 12.017 1210 HA HIS 77 HA HIS 77 -5.457 -20.087 12.767 1211 HD1 HIS 77 HD1 HIS 77 -8.243 -20.736 9.805 1212 HD2 HIS 77 HD2 HIS 77 -4.891 -22.715 11.270 1213 HE1 HIS 77 HE1 HIS 77 -8.857 -23.173 9.844 1214 HE2 HIS 77 HE2 HIS 77 -6.899 -24.317 10.938 1215 HB2 HIS 77 HB2 HIS 77 -6.214 -19.246 9.975 1216 HB3 HIS 77 HB1 HIS 77 -4.668 -20.013 10.319 1217 H HIS 78 HN HIS 78 -3.337 -19.537 12.857 1218 HA HIS 78 HA HIS 78 -2.696 -16.701 12.382 1219 HD1 HIS 78 HD1 HIS 78 -2.056 -14.663 14.107 1220 HD2 HIS 78 HD2 HIS 78 0.753 -17.520 15.220 1221 HE1 HIS 78 HE1 HIS 78 0.033 -13.378 14.668 1222 HE2 HIS 78 HE2 HIS 78 1.665 -15.110 15.498 1223 HB2 HIS 78 HB2 HIS 78 -2.987 -17.132 14.801 1224 HB3 HIS 78 HB1 HIS 78 -1.769 -18.400 14.715 1225 H HIS 79 HN HIS 79 -1.192 -16.551 10.871 1226 HA HIS 79 HA HIS 79 0.513 -18.845 10.324 1227 HD1 HIS 79 HD1 HIS 79 1.404 -19.821 8.202 1228 HD2 HIS 79 HD2 HIS 79 2.230 -15.902 7.074 1229 HE1 HIS 79 HE1 HIS 79 3.355 -19.965 6.622 1230 HE2 HIS 79 HE2 HIS 79 3.729 -17.604 5.822 1231 HB2 HIS 79 HB2 HIS 79 -0.629 -17.766 8.431 1232 HB3 HIS 79 HB1 HIS 79 0.184 -16.250 8.801 1233 H HIS 80 HN HIS 80 2.589 -18.953 10.832 1234 HA HIS 80 HA HIS 80 3.950 -16.495 11.713 1235 HD1 HIS 80 HD1 HIS 80 6.891 -19.323 12.938 1236 HD2 HIS 80 HD2 HIS 80 5.167 -15.913 14.593 1237 HE1 HIS 80 HE1 HIS 80 8.735 -18.172 14.206 1238 HE2 HIS 80 HE2 HIS 80 7.683 -16.100 15.181 1239 HB2 HIS 80 HB2 HIS 80 3.492 -18.014 13.615 1240 HB3 HIS 80 HB1 HIS 80 4.352 -19.302 12.780 Start of MODEL 6 1 HA MET 1 HA MET 1 26.531 3.408 13.296 2 H1 MET 1 HT1 MET 1 25.422 2.585 15.916 3 H2 MET 1 HT2 MET 1 26.363 3.962 15.642 4 H3 MET 1 HT3 MET 1 27.037 2.426 15.412 5 HB2 MET 1 HB2 MET 1 24.524 1.255 14.000 6 HB3 MET 1 HB1 MET 1 25.078 1.660 12.384 7 HG2 MET 1 HG2 MET 1 27.335 0.935 12.977 8 HG3 MET 1 HG1 MET 1 26.773 0.526 14.597 9 HE1 MET 1 HE1 MET 1 27.575 -1.949 14.511 10 HE2 MET 1 HE2 MET 1 28.313 -1.607 12.946 11 HE3 MET 1 HE3 MET 1 27.290 -3.028 13.147 12 H ALA 2 HN ALA 2 23.516 2.883 15.139 13 HA ALA 2 HA ALA 2 22.137 4.799 13.440 14 HB1 ALA 2 HB1 ALA 2 20.130 4.124 14.655 15 HB2 ALA 2 HB2 ALA 2 21.113 3.157 15.754 16 HB3 ALA 2 HB3 ALA 2 21.005 2.715 14.051 17 H GLN 3 HN GLN 3 23.002 6.786 13.972 18 HA GLN 3 HA GLN 3 23.076 7.601 16.769 19 HB2 GLN 3 HB2 GLN 3 23.765 9.231 14.322 20 HB3 GLN 3 HB1 GLN 3 24.225 9.567 15.986 21 HG2 GLN 3 HG2 GLN 3 25.700 7.683 16.030 22 HG3 GLN 3 HG1 GLN 3 25.126 7.139 14.458 23 HE21 GLN 3 HE21 GLN 3 25.706 8.307 12.606 24 HE22 GLN 3 HE22 GLN 3 27.093 9.343 12.596 25 H HIS 4 HN HIS 4 20.683 7.305 16.824 26 HA HIS 4 HA HIS 4 18.572 8.111 16.944 27 HD1 HIS 4 HD1 HIS 4 17.108 10.604 18.769 28 HD2 HIS 4 HD2 HIS 4 21.137 9.664 19.192 29 HE1 HIS 4 HE1 HIS 4 17.529 10.512 21.252 30 HE2 HIS 4 HE2 HIS 4 20.011 10.106 21.481 31 HB2 HIS 4 HB2 HIS 4 20.113 10.666 16.675 32 HB3 HIS 4 HB1 HIS 4 18.354 10.702 16.601 33 H SER 5 HN SER 5 19.845 7.313 14.367 34 HA SER 5 HA SER 5 18.486 8.845 12.357 35 HG SER 5 HG SER 5 20.129 5.286 12.067 36 HB2 SER 5 HB2 SER 5 19.300 6.830 10.920 37 HB3 SER 5 HB1 SER 5 20.501 7.933 11.596 38 H LYS 6 HN LYS 6 16.414 8.578 13.520 39 HA LYS 6 HA LYS 6 15.065 6.045 12.856 40 HB2 LYS 6 HB2 LYS 6 14.328 8.158 14.893 41 HB3 LYS 6 HB1 LYS 6 13.399 6.702 14.569 42 HG2 LYS 6 HG2 LYS 6 15.129 5.319 15.440 43 HG3 LYS 6 HG1 LYS 6 16.244 6.682 15.552 44 HD2 LYS 6 HD2 LYS 6 15.326 6.136 17.745 45 HD3 LYS 6 HD1 LYS 6 14.789 7.731 17.221 46 HE2 LYS 6 HE2 LYS 6 12.670 6.650 16.426 47 HE3 LYS 6 HE1 LYS 6 13.215 5.165 17.204 48 HZ1 LYS 6 HZ1 LYS 6 13.265 6.343 19.327 49 HZ2 LYS 6 HZ2 LYS 6 11.718 6.408 18.634 50 HZ3 LYS 6 HZ3 LYS 6 12.731 7.763 18.566 51 H TYR 7 HN TYR 7 14.964 9.530 12.596 52 HA TYR 7 HA TYR 7 12.772 9.368 10.692 53 HD1 TYR 7 HD1 TYR 7 12.237 8.967 14.528 54 HD2 TYR 7 HD2 TYR 7 9.851 10.133 11.210 55 HE1 TYR 7 HE1 TYR 7 10.470 7.425 15.266 56 HE2 TYR 7 HE2 TYR 7 8.080 8.594 11.933 57 HH TYR 7 HH TYR 7 7.568 6.901 13.302 58 HB2 TYR 7 HB2 TYR 7 12.749 10.981 13.238 59 HB3 TYR 7 HB1 TYR 7 11.770 11.432 11.848 60 H SER 8 HN SER 8 14.329 9.864 9.156 61 HA SER 8 HA SER 8 14.955 12.716 9.077 62 HG SER 8 HG SER 8 16.606 11.768 10.379 63 HB2 SER 8 HB2 SER 8 16.649 10.485 7.955 64 HB3 SER 8 HB1 SER 8 17.002 12.211 7.845 65 H ASP 9 HN ASP 9 14.184 13.774 7.377 66 HA ASP 9 HA ASP 9 12.400 12.677 5.536 67 HB2 ASP 9 HB2 ASP 9 14.181 15.098 5.128 68 HB3 ASP 9 HB1 ASP 9 12.704 14.742 4.241 69 H ALA 10 HN ALA 10 15.867 12.954 5.514 70 HA ALA 10 HA ALA 10 16.224 12.207 2.769 71 HB1 ALA 10 HB1 ALA 10 17.937 13.481 3.963 72 HB2 ALA 10 HB2 ALA 10 18.590 11.956 3.364 73 HB3 ALA 10 HB3 ALA 10 18.179 12.131 5.071 74 H GLN 11 HN GLN 11 16.070 10.553 5.867 75 HA GLN 11 HA GLN 11 16.937 8.013 4.862 76 HB2 GLN 11 HB2 GLN 11 17.095 8.599 7.245 77 HB3 GLN 11 HB1 GLN 11 15.342 8.685 7.345 78 HG2 GLN 11 HG2 GLN 11 15.175 6.313 6.854 79 HG3 GLN 11 HG1 GLN 11 16.928 6.214 6.688 80 HE21 GLN 11 HE21 GLN 11 15.141 4.821 8.537 81 HE22 GLN 11 HE22 GLN 11 15.700 5.212 10.124 82 H LEU 12 HN LEU 12 13.795 9.504 5.508 83 HA LEU 12 HA LEU 12 12.201 7.294 4.843 84 HG LEU 12 HG LEU 12 10.010 8.889 3.282 85 HB2 LEU 12 HB2 LEU 12 11.256 9.198 6.012 86 HB3 LEU 12 HB1 LEU 12 11.589 10.246 4.644 87 HD11 LEU 12 HD11 LEU 12 8.439 7.409 4.471 88 HD12 LEU 12 HD12 LEU 12 9.409 7.586 5.933 89 HD13 LEU 12 HD13 LEU 12 10.097 6.811 4.505 90 HD21 LEU 12 HD21 LEU 12 7.969 9.793 4.250 91 HD22 LEU 12 HD22 LEU 12 9.276 10.977 4.317 92 HD23 LEU 12 HD23 LEU 12 8.814 10.092 5.771 93 H SER 13 HN SER 13 13.097 10.118 2.853 94 HA SER 13 HA SER 13 11.730 9.325 0.567 95 HG SER 13 HG SER 13 14.268 11.482 1.962 96 HB2 SER 13 HB2 SER 13 13.340 10.871 -0.638 97 HB3 SER 13 HB1 SER 13 12.457 11.581 0.713 98 H ALA 14 HN ALA 14 14.994 8.532 1.637 99 HA ALA 14 HA ALA 14 15.891 7.248 -0.681 100 HB1 ALA 14 HB1 ALA 14 17.350 7.813 1.202 101 HB2 ALA 14 HB2 ALA 14 17.485 6.107 0.774 102 HB3 ALA 14 HB3 ALA 14 16.550 6.591 2.189 103 H ILE 15 HN ILE 15 14.113 5.972 2.120 104 HA ILE 15 HA ILE 15 14.072 3.281 1.276 105 HB ILE 15 HB ILE 15 12.195 4.762 3.127 106 HG12 ILE 15 HG12 ILE 15 14.530 2.927 3.710 107 HG13 ILE 15 HG11 ILE 15 14.566 4.682 3.831 108 HG21 ILE 15 HG21 ILE 15 12.505 1.787 2.728 109 HG22 ILE 15 HG22 ILE 15 11.113 2.758 2.250 110 HG23 ILE 15 HG23 ILE 15 11.510 2.568 3.957 111 HD11 ILE 15 HD11 ILE 15 14.312 3.668 6.010 112 HD12 ILE 15 HD12 ILE 15 12.861 2.824 5.470 113 HD13 ILE 15 HD13 ILE 15 12.867 4.584 5.589 114 H VAL 16 HN VAL 16 11.745 5.934 0.836 115 HA VAL 16 HA VAL 16 9.779 4.306 -0.425 116 HB VAL 16 HB VAL 16 9.943 7.232 -1.027 117 HG11 VAL 16 HG11 VAL 16 7.604 5.513 -0.222 118 HG12 VAL 16 HG12 VAL 16 8.132 5.730 -1.896 119 HG13 VAL 16 HG13 VAL 16 7.564 7.115 -0.964 120 HG21 VAL 16 HG21 VAL 16 10.504 7.104 1.341 121 HG22 VAL 16 HG22 VAL 16 9.083 6.101 1.632 122 HG23 VAL 16 HG23 VAL 16 8.890 7.776 1.111 123 H ASN 17 HN ASN 17 12.464 6.271 -1.622 124 HA ASN 17 HA ASN 17 11.789 5.985 -4.376 125 HB2 ASN 17 HB2 ASN 17 14.183 6.968 -2.891 126 HB3 ASN 17 HB1 ASN 17 14.383 6.527 -4.583 127 HD21 ASN 17 HD21 ASN 17 12.886 8.718 -2.349 128 HD22 ASN 17 HD22 ASN 17 12.382 9.893 -3.518 129 H ASP 18 HN ASP 18 13.658 4.050 -2.116 130 HA ASP 18 HA ASP 18 14.816 2.298 -3.973 131 HB2 ASP 18 HB2 ASP 18 14.156 2.141 -1.075 132 HB3 ASP 18 HB1 ASP 18 14.398 0.616 -1.920 133 H MET 19 HN MET 19 11.703 2.190 -2.274 134 HA MET 19 HA MET 19 10.722 -0.192 -3.301 135 HB2 MET 19 HB2 MET 19 9.233 2.349 -2.630 136 HB3 MET 19 HB1 MET 19 8.448 0.814 -2.972 137 HG2 MET 19 HG2 MET 19 10.369 1.349 -0.718 138 HG3 MET 19 HG1 MET 19 8.615 1.233 -0.583 139 HE1 MET 19 HE1 MET 19 8.814 -0.587 1.321 140 HE2 MET 19 HE2 MET 19 10.571 -0.461 1.238 141 HE3 MET 19 HE3 MET 19 9.799 -2.044 1.184 142 H ILE 20 HN ILE 20 10.584 3.050 -4.698 143 HA ILE 20 HA ILE 20 9.123 2.352 -7.017 144 HB ILE 20 HB ILE 20 11.094 4.626 -6.685 145 HG12 ILE 20 HG12 ILE 20 8.101 4.592 -6.227 146 HG13 ILE 20 HG11 ILE 20 9.312 4.598 -4.949 147 HG21 ILE 20 HG21 ILE 20 8.784 4.289 -8.597 148 HG22 ILE 20 HG22 ILE 20 10.492 4.153 -9.012 149 HG23 ILE 20 HG23 ILE 20 9.837 5.699 -8.471 150 HD11 ILE 20 HD11 ILE 20 8.385 6.812 -5.299 151 HD12 ILE 20 HD12 ILE 20 8.887 6.771 -6.990 152 HD13 ILE 20 HD13 ILE 20 10.100 6.779 -5.712 153 H ALA 21 HN ALA 21 12.608 2.692 -6.405 154 HA ALA 21 HA ALA 21 13.460 2.185 -9.041 155 HB1 ALA 21 HB1 ALA 21 14.896 3.257 -7.402 156 HB2 ALA 21 HB2 ALA 21 15.671 1.810 -8.049 157 HB3 ALA 21 HB3 ALA 21 14.937 1.775 -6.446 158 H VAL 22 HN VAL 22 13.351 0.037 -6.204 159 HA VAL 22 HA VAL 22 14.327 -2.270 -7.431 160 HB VAL 22 HB VAL 22 12.313 -2.112 -5.179 161 HG11 VAL 22 HG11 VAL 22 12.472 -4.347 -6.142 162 HG12 VAL 22 HG12 VAL 22 13.162 -4.300 -4.519 163 HG13 VAL 22 HG13 VAL 22 14.223 -4.320 -5.927 164 HG21 VAL 22 HG21 VAL 22 14.251 -0.798 -4.611 165 HG22 VAL 22 HG22 VAL 22 15.329 -2.101 -5.119 166 HG23 VAL 22 HG23 VAL 22 14.299 -2.310 -3.701 167 H LEU 23 HN LEU 23 11.062 -0.967 -7.264 168 HA LEU 23 HA LEU 23 9.640 -3.096 -8.361 169 HG LEU 23 HG LEU 23 7.878 -1.273 -10.347 170 HB2 LEU 23 HB2 LEU 23 8.537 -1.165 -7.402 171 HB3 LEU 23 HB1 LEU 23 9.216 -0.123 -8.637 172 HD11 LEU 23 HD11 LEU 23 6.712 -2.786 -8.017 173 HD12 LEU 23 HD12 LEU 23 7.752 -3.459 -9.270 174 HD13 LEU 23 HD13 LEU 23 6.149 -2.853 -9.687 175 HD21 LEU 23 HD21 LEU 23 7.003 0.721 -9.231 176 HD22 LEU 23 HD22 LEU 23 6.251 -0.297 -8.003 177 HD23 LEU 23 HD23 LEU 23 5.711 -0.392 -9.679 178 H GLU 24 HN GLU 24 11.193 -0.347 -9.992 179 HA GLU 24 HA GLU 24 10.511 -1.218 -12.616 180 HB2 GLU 24 HB2 GLU 24 11.255 1.139 -11.654 181 HB3 GLU 24 HB1 GLU 24 12.853 0.569 -12.100 182 HG2 GLU 24 HG2 GLU 24 10.498 0.837 -13.957 183 HG3 GLU 24 HG1 GLU 24 11.853 1.956 -13.837 184 H LYS 25 HN LYS 25 13.389 -1.493 -10.588 185 HA LYS 25 HA LYS 25 15.110 -2.607 -12.509 186 HB2 LYS 25 HB2 LYS 25 15.136 -2.972 -9.509 187 HB3 LYS 25 HB1 LYS 25 16.468 -3.352 -10.592 188 HG2 LYS 25 HG2 LYS 25 16.674 -1.017 -11.204 189 HG3 LYS 25 HG1 LYS 25 15.290 -0.609 -10.189 190 HD2 LYS 25 HD2 LYS 25 17.197 -0.063 -8.916 191 HD3 LYS 25 HD1 LYS 25 16.604 -1.585 -8.250 192 HE2 LYS 25 HE2 LYS 25 19.016 -1.653 -8.463 193 HE3 LYS 25 HE1 LYS 25 18.279 -2.796 -9.588 194 HZ1 LYS 25 HZ1 LYS 25 20.121 -1.404 -10.520 195 HZ2 LYS 25 HZ2 LYS 25 19.100 -0.058 -10.377 196 HZ3 LYS 25 HZ3 LYS 25 18.668 -1.346 -11.394 197 H HIS 26 HN HIS 26 12.807 -4.094 -10.296 198 HA HIS 26 HA HIS 26 13.622 -6.782 -10.976 199 HD1 HIS 26 HD1 HIS 26 11.916 -8.861 -11.024 200 HD2 HIS 26 HD2 HIS 26 12.322 -7.932 -6.984 201 HE1 HIS 26 HE1 HIS 26 12.049 -11.070 -9.826 202 HE2 HIS 26 HE2 HIS 26 12.443 -10.484 -7.401 203 HB2 HIS 26 HB2 HIS 26 12.505 -5.867 -8.767 204 HB3 HIS 26 HB1 HIS 26 11.010 -6.162 -9.644 205 H LYS 27 HN LYS 27 11.762 -4.426 -12.434 206 HA LYS 27 HA LYS 27 10.432 -4.352 -14.253 207 HB2 LYS 27 HB2 LYS 27 11.824 -6.968 -14.622 208 HB3 LYS 27 HB1 LYS 27 10.528 -6.519 -15.724 209 HG2 LYS 27 HG2 LYS 27 12.952 -4.823 -15.172 210 HG3 LYS 27 HG1 LYS 27 12.784 -5.927 -16.541 211 HD2 LYS 27 HD2 LYS 27 10.834 -4.682 -17.315 212 HD3 LYS 27 HD1 LYS 27 10.970 -3.592 -15.933 213 HE2 LYS 27 HE2 LYS 27 13.115 -3.973 -18.013 214 HE3 LYS 27 HE1 LYS 27 11.906 -2.693 -18.064 215 HZ1 LYS 27 HZ1 LYS 27 13.863 -3.094 -15.859 216 HZ2 LYS 27 HZ2 LYS 27 12.740 -1.826 -15.988 217 HZ3 LYS 27 HZ3 LYS 27 14.011 -1.952 -17.105 218 H ALA 28 HN ALA 28 8.917 -4.662 -12.148 219 HA ALA 28 HA ALA 28 7.050 -6.840 -12.704 220 HB1 ALA 28 HB1 ALA 28 5.943 -6.193 -10.630 221 HB2 ALA 28 HB2 ALA 28 7.022 -4.806 -10.470 222 HB3 ALA 28 HB3 ALA 28 7.669 -6.443 -10.353 223 HA PRO 29 HA PRO 29 4.579 -4.050 -15.134 224 HB2 PRO 29 HB2 PRO 29 2.369 -5.930 -14.631 225 HB3 PRO 29 HB1 PRO 29 3.133 -5.484 -16.160 226 HG2 PRO 29 HG2 PRO 29 3.493 -7.903 -15.068 227 HG3 PRO 29 HG1 PRO 29 4.789 -7.077 -15.950 228 HD2 PRO 29 HD2 PRO 29 4.356 -7.305 -12.995 229 HD3 PRO 29 HD1 PRO 29 5.861 -7.483 -13.925 230 H VAL 30 HN VAL 30 2.779 -2.638 -14.842 231 HA VAL 30 HA VAL 30 2.612 -1.566 -12.276 232 HB VAL 30 HB VAL 30 0.632 -1.191 -14.531 233 HG11 VAL 30 HG11 VAL 30 1.278 0.548 -12.155 234 HG12 VAL 30 HG12 VAL 30 -0.207 -0.370 -12.407 235 HG13 VAL 30 HG13 VAL 30 0.190 0.977 -13.475 236 HG21 VAL 30 HG21 VAL 30 2.924 -0.747 -15.255 237 HG22 VAL 30 HG22 VAL 30 3.145 0.356 -13.896 238 HG23 VAL 30 HG23 VAL 30 1.982 0.741 -15.166 239 H ASP 31 HN ASP 31 0.531 -3.867 -13.922 240 HA ASP 31 HA ASP 31 -1.584 -3.640 -11.987 241 HB2 ASP 31 HB2 ASP 31 -2.540 -5.614 -13.257 242 HB3 ASP 31 HB1 ASP 31 -2.280 -4.154 -14.200 243 H LEU 32 HN LEU 32 1.002 -5.943 -12.680 244 HA LEU 32 HA LEU 32 0.250 -7.773 -10.624 245 HG LEU 32 HG LEU 32 3.048 -8.883 -9.934 246 HB2 LEU 32 HB2 LEU 32 1.680 -8.361 -12.580 247 HB3 LEU 32 HB1 LEU 32 2.963 -7.381 -11.896 248 HD11 LEU 32 HD11 LEU 32 1.858 -11.011 -9.984 249 HD12 LEU 32 HD12 LEU 32 1.044 -10.529 -11.472 250 HD13 LEU 32 HD13 LEU 32 0.729 -9.655 -9.973 251 HD21 LEU 32 HD21 LEU 32 4.538 -9.273 -11.810 252 HD22 LEU 32 HD22 LEU 32 3.310 -10.262 -12.600 253 HD23 LEU 32 HD23 LEU 32 4.038 -10.800 -11.087 254 H SER 33 HN SER 33 2.301 -4.944 -10.816 255 HA SER 33 HA SER 33 3.511 -5.132 -8.284 256 HG SER 33 HG SER 33 4.614 -1.810 -8.654 257 HB2 SER 33 HB2 SER 33 4.370 -3.586 -9.939 258 HB3 SER 33 HB1 SER 33 2.833 -2.717 -9.986 259 H LEU 34 HN LEU 34 0.456 -3.666 -9.344 260 HA LEU 34 HA LEU 34 -0.306 -2.586 -6.873 261 HG LEU 34 HG LEU 34 -0.686 -1.677 -9.791 262 HB2 LEU 34 HB2 LEU 34 -2.004 -3.643 -9.133 263 HB3 LEU 34 HB1 LEU 34 -2.642 -2.758 -7.761 264 HD11 LEU 34 HD11 LEU 34 -2.556 -0.259 -10.487 265 HD12 LEU 34 HD12 LEU 34 -3.614 -1.115 -9.365 266 HD13 LEU 34 HD13 LEU 34 -2.898 -1.972 -10.730 267 HD21 LEU 34 HD21 LEU 34 -1.078 0.480 -8.692 268 HD22 LEU 34 HD22 LEU 34 -0.327 -0.687 -7.602 269 HD23 LEU 34 HD23 LEU 34 -2.049 -0.331 -7.463 270 H ILE 35 HN ILE 35 -0.698 -5.813 -8.227 271 HA ILE 35 HA ILE 35 -2.281 -6.873 -6.145 272 HB ILE 35 HB ILE 35 -0.292 -8.341 -7.893 273 HG12 ILE 35 HG12 ILE 35 -3.263 -7.877 -8.253 274 HG13 ILE 35 HG11 ILE 35 -1.991 -7.088 -9.179 275 HG21 ILE 35 HG21 ILE 35 -1.614 -10.326 -7.385 276 HG22 ILE 35 HG22 ILE 35 -2.666 -9.374 -6.338 277 HG23 ILE 35 HG23 ILE 35 -0.973 -9.612 -5.906 278 HD11 ILE 35 HD11 ILE 35 -3.009 -8.894 -10.436 279 HD12 ILE 35 HD12 ILE 35 -2.590 -10.038 -9.160 280 HD13 ILE 35 HD13 ILE 35 -1.317 -9.247 -10.090 281 H ALA 36 HN ALA 36 1.252 -6.779 -6.600 282 HA ALA 36 HA ALA 36 1.986 -8.131 -4.260 283 HB1 ALA 36 HB1 ALA 36 4.168 -7.048 -4.541 284 HB2 ALA 36 HB2 ALA 36 3.470 -5.940 -5.721 285 HB3 ALA 36 HB3 ALA 36 3.559 -7.665 -6.077 286 H LEU 37 HN LEU 37 1.664 -4.653 -4.906 287 HA LEU 37 HA LEU 37 2.192 -3.711 -2.337 288 HG LEU 37 HG LEU 37 0.102 -1.420 -2.203 289 HB2 LEU 37 HB2 LEU 37 2.038 -2.293 -4.350 290 HB3 LEU 37 HB1 LEU 37 0.307 -2.561 -4.398 291 HD11 LEU 37 HD11 LEU 37 3.018 -0.775 -2.612 292 HD12 LEU 37 HD12 LEU 37 2.364 -1.852 -1.380 293 HD13 LEU 37 HD13 LEU 37 1.976 -0.133 -1.342 294 HD21 LEU 37 HD21 LEU 37 -0.295 -0.185 -4.246 295 HD22 LEU 37 HD22 LEU 37 1.428 0.148 -4.409 296 HD23 LEU 37 HD23 LEU 37 0.519 0.848 -3.071 297 H GLY 38 HN GLY 38 -0.856 -4.744 -3.816 298 HA2 GLY 38 HA2 GLY 38 -2.590 -4.080 -1.730 299 HA3 GLY 38 HA1 GLY 38 -2.858 -5.369 -2.892 300 H ASN 39 HN ASN 39 -0.947 -7.189 -2.330 301 HA ASN 39 HA ASN 39 -1.956 -8.428 -0.001 302 HB2 ASN 39 HB2 ASN 39 0.371 -9.044 -1.807 303 HB3 ASN 39 HB1 ASN 39 0.074 -9.990 -0.352 304 HD21 ASN 39 HD21 ASN 39 -1.035 -9.211 -3.542 305 HD22 ASN 39 HD22 ASN 39 -2.214 -10.478 -3.656 306 H MET 40 HN MET 40 0.940 -6.521 -0.624 307 HA MET 40 HA MET 40 2.198 -7.064 1.864 308 HB2 MET 40 HB2 MET 40 3.414 -6.191 -0.100 309 HB3 MET 40 HB1 MET 40 2.531 -4.676 0.035 310 HG2 MET 40 HG2 MET 40 3.545 -4.283 2.224 311 HG3 MET 40 HG1 MET 40 4.430 -5.802 2.087 312 HE1 MET 40 HE1 MET 40 5.888 -3.071 2.723 313 HE2 MET 40 HE2 MET 40 7.284 -3.184 1.651 314 HE3 MET 40 HE3 MET 40 6.728 -4.610 2.525 315 H ALA 41 HN ALA 41 0.192 -4.367 0.719 316 HA ALA 41 HA ALA 41 0.215 -2.865 3.086 317 HB1 ALA 41 HB1 ALA 41 -0.557 -1.977 0.939 318 HB2 ALA 41 HB2 ALA 41 -1.758 -1.746 2.210 319 HB3 ALA 41 HB3 ALA 41 -1.973 -3.027 1.017 320 H SER 42 HN SER 42 -2.048 -5.358 1.960 321 HA SER 42 HA SER 42 -3.839 -5.286 4.087 322 HG SER 42 HG SER 42 -3.724 -6.179 1.078 323 HB2 SER 42 HB2 SER 42 -2.969 -7.712 2.497 324 HB3 SER 42 HB1 SER 42 -4.451 -7.570 3.441 325 H ASN 43 HN ASN 43 -0.842 -7.140 3.717 326 HA ASN 43 HA ASN 43 -1.006 -8.682 6.038 327 HB2 ASN 43 HB2 ASN 43 0.648 -8.936 4.133 328 HB3 ASN 43 HB1 ASN 43 1.552 -7.600 4.839 329 HD21 ASN 43 HD21 ASN 43 0.644 -10.910 5.111 330 HD22 ASN 43 HD22 ASN 43 1.729 -11.326 6.400 331 H LEU 44 HN LEU 44 0.555 -5.539 5.510 332 HA LEU 44 HA LEU 44 1.445 -5.263 8.195 333 HG LEU 44 HG LEU 44 2.696 -4.794 5.317 334 HB2 LEU 44 HB2 LEU 44 1.046 -3.159 6.068 335 HB3 LEU 44 HB1 LEU 44 1.928 -2.934 7.565 336 HD11 LEU 44 HD11 LEU 44 4.602 -3.299 5.045 337 HD12 LEU 44 HD12 LEU 44 3.980 -2.260 6.327 338 HD13 LEU 44 HD13 LEU 44 3.083 -2.433 4.818 339 HD21 LEU 44 HD21 LEU 44 4.698 -5.257 6.609 340 HD22 LEU 44 HD22 LEU 44 3.257 -5.711 7.524 341 HD23 LEU 44 HD23 LEU 44 4.116 -4.220 7.912 342 H LEU 45 HN LEU 45 -1.423 -4.240 6.455 343 HA LEU 45 HA LEU 45 -2.347 -2.472 8.497 344 HG LEU 45 HG LEU 45 -5.369 -2.640 7.847 345 HB2 LEU 45 HB2 LEU 45 -2.933 -2.259 6.105 346 HB3 LEU 45 HB1 LEU 45 -3.853 -3.744 6.209 347 HD11 LEU 45 HD11 LEU 45 -5.297 -0.189 8.022 348 HD12 LEU 45 HD12 LEU 45 -3.778 -0.184 7.125 349 HD13 LEU 45 HD13 LEU 45 -3.861 -0.951 8.710 350 HD21 LEU 45 HD21 LEU 45 -5.069 -1.284 5.172 351 HD22 LEU 45 HD22 LEU 45 -6.515 -1.255 6.180 352 HD23 LEU 45 HD23 LEU 45 -5.949 -2.778 5.493 353 H THR 46 HN THR 46 -2.381 -5.853 8.185 354 HA THR 46 HA THR 46 -4.568 -6.034 10.154 355 HB THR 46 HB THR 46 -4.521 -8.511 9.594 356 HG1 THR 46 HG1 THR 46 -3.117 -7.642 7.278 357 HG21 THR 46 HG21 THR 46 -5.223 -6.559 7.403 358 HG22 THR 46 HG22 THR 46 -6.267 -7.062 8.734 359 HG23 THR 46 HG23 THR 46 -5.786 -8.227 7.499 360 H THR 47 HN THR 47 -1.441 -5.568 10.334 361 HA THR 47 HA THR 47 -1.080 -7.432 12.565 362 HB THR 47 HB THR 47 1.073 -7.034 10.483 363 HG1 THR 47 HG1 THR 47 -0.363 -8.259 9.401 364 HG21 THR 47 HG21 THR 47 0.769 -9.008 12.746 365 HG22 THR 47 HG22 THR 47 1.909 -7.662 12.680 366 HG23 THR 47 HG23 THR 47 2.069 -9.013 11.556 367 H SER 48 HN SER 48 0.151 -4.536 10.861 368 HA SER 48 HA SER 48 1.941 -4.052 13.134 369 HG SER 48 HG SER 48 3.822 -4.201 10.175 370 HB2 SER 48 HB2 SER 48 1.949 -2.766 10.399 371 HB3 SER 48 HB1 SER 48 3.202 -2.627 11.634 372 H VAL 49 HN VAL 49 -1.024 -2.973 11.990 373 HA VAL 49 HA VAL 49 -0.651 -0.256 13.022 374 HB VAL 49 HB VAL 49 -2.816 0.272 12.059 375 HG11 VAL 49 HG11 VAL 49 -2.301 -0.108 9.673 376 HG12 VAL 49 HG12 VAL 49 -1.033 -1.236 10.153 377 HG13 VAL 49 HG13 VAL 49 -0.911 0.467 10.594 378 HG21 VAL 49 HG21 VAL 49 -3.969 -1.824 12.458 379 HG22 VAL 49 HG22 VAL 49 -2.949 -2.634 11.269 380 HG23 VAL 49 HG23 VAL 49 -4.080 -1.383 10.754 381 HA PRO 50 HA PRO 50 -2.988 -0.819 16.804 382 HB2 PRO 50 HB2 PRO 50 -5.084 0.975 16.455 383 HB3 PRO 50 HB1 PRO 50 -3.493 1.383 17.107 384 HG2 PRO 50 HG2 PRO 50 -4.547 1.715 14.333 385 HG3 PRO 50 HG1 PRO 50 -3.510 2.800 15.277 386 HD2 PRO 50 HD2 PRO 50 -2.494 1.260 13.346 387 HD3 PRO 50 HD1 PRO 50 -1.600 1.539 14.856 388 H GLN 51 HN GLN 51 -4.007 -2.711 16.936 389 HA GLN 51 HA GLN 51 -5.591 -3.728 14.816 390 HB2 GLN 51 HB2 GLN 51 -4.073 -4.960 16.521 391 HB3 GLN 51 HB1 GLN 51 -5.484 -4.926 17.572 392 HG2 GLN 51 HG2 GLN 51 -5.439 -7.025 16.454 393 HG3 GLN 51 HG1 GLN 51 -6.764 -6.078 15.780 394 HE21 GLN 51 HE21 GLN 51 -3.649 -7.481 15.177 395 HE22 GLN 51 HE22 GLN 51 -3.645 -7.239 13.465 396 H THR 52 HN THR 52 -6.338 -2.240 17.893 397 HA THR 52 HA THR 52 -9.112 -3.032 17.836 398 HB THR 52 HB THR 52 -7.932 -0.888 19.597 399 HG1 THR 52 HG1 THR 52 -7.381 -3.605 19.522 400 HG21 THR 52 HG21 THR 52 -9.570 -1.807 21.217 401 HG22 THR 52 HG22 THR 52 -10.153 -2.905 19.965 402 HG23 THR 52 HG23 THR 52 -10.330 -1.161 19.764 403 H GLN 53 HN GLN 53 -7.304 -0.641 16.308 404 HA GLN 53 HA GLN 53 -9.668 1.081 15.957 405 HB2 GLN 53 HB2 GLN 53 -6.775 1.972 15.992 406 HB3 GLN 53 HB1 GLN 53 -8.181 3.008 15.799 407 HG2 GLN 53 HG2 GLN 53 -8.909 2.431 18.062 408 HG3 GLN 53 HG1 GLN 53 -7.486 1.409 18.255 409 HE21 GLN 53 HE21 GLN 53 -5.782 3.322 16.771 410 HE22 GLN 53 HE22 GLN 53 -5.491 4.628 17.866 411 H CYS 54 HN CYS 54 -8.420 -1.234 14.492 412 HA CYS 54 HA CYS 54 -6.953 -0.501 12.271 413 HG CYS 54 HG CYS 54 -9.042 -3.799 14.146 414 HB2 CYS 54 HB2 CYS 54 -7.936 -2.631 11.272 415 HB3 CYS 54 HB1 CYS 54 -7.093 -2.787 12.810 416 H GLU 55 HN GLU 55 -10.489 -0.929 12.454 417 HA GLU 55 HA GLU 55 -11.026 -0.312 9.782 418 HB2 GLU 55 HB2 GLU 55 -12.743 -0.001 12.241 419 HB3 GLU 55 HB1 GLU 55 -13.340 0.267 10.609 420 HG2 GLU 55 HG2 GLU 55 -12.699 -2.066 10.053 421 HG3 GLU 55 HG1 GLU 55 -12.273 -2.306 11.748 422 H ALA 56 HN ALA 56 -10.759 1.810 12.588 423 HA ALA 56 HA ALA 56 -11.644 4.163 11.283 424 HB1 ALA 56 HB1 ALA 56 -9.894 3.849 13.721 425 HB2 ALA 56 HB2 ALA 56 -11.654 3.968 13.705 426 HB3 ALA 56 HB3 ALA 56 -10.673 5.344 13.202 427 H LEU 57 HN LEU 57 -8.421 2.818 11.909 428 HA LEU 57 HA LEU 57 -7.033 5.003 10.721 429 HG LEU 57 HG LEU 57 -4.555 3.449 12.945 430 HB2 LEU 57 HB2 LEU 57 -6.275 2.280 11.662 431 HB3 LEU 57 HB1 LEU 57 -5.166 3.135 10.610 432 HD11 LEU 57 HD11 LEU 57 -4.435 5.873 12.985 433 HD12 LEU 57 HD12 LEU 57 -5.691 5.969 11.751 434 HD13 LEU 57 HD13 LEU 57 -4.125 5.262 11.359 435 HD21 LEU 57 HD21 LEU 57 -5.998 4.663 14.487 436 HD22 LEU 57 HD22 LEU 57 -6.768 3.169 13.948 437 HD23 LEU 57 HD23 LEU 57 -7.270 4.718 13.267 438 H ALA 58 HN ALA 58 -8.236 1.929 9.512 439 HA ALA 58 HA ALA 58 -6.916 1.977 7.019 440 HB1 ALA 58 HB1 ALA 58 -8.595 0.355 6.300 441 HB2 ALA 58 HB2 ALA 58 -9.560 0.713 7.732 442 HB3 ALA 58 HB3 ALA 58 -7.974 -0.038 7.903 443 H GLN 59 HN GLN 59 -10.140 3.124 8.001 444 HA GLN 59 HA GLN 59 -10.835 4.153 5.463 445 HB2 GLN 59 HB2 GLN 59 -11.869 4.619 8.239 446 HB3 GLN 59 HB1 GLN 59 -12.459 5.582 6.893 447 HG2 GLN 59 HG2 GLN 59 -12.555 2.582 7.043 448 HG3 GLN 59 HG1 GLN 59 -13.898 3.662 7.416 449 HE21 GLN 59 HE21 GLN 59 -14.887 4.814 5.731 450 HE22 GLN 59 HE22 GLN 59 -14.692 4.348 4.077 451 H ALA 60 HN ALA 60 -9.187 5.563 8.243 452 HA ALA 60 HA ALA 60 -9.060 8.215 7.285 453 HB1 ALA 60 HB1 ALA 60 -8.557 7.628 9.603 454 HB2 ALA 60 HB2 ALA 60 -7.216 8.504 8.865 455 HB3 ALA 60 HB3 ALA 60 -7.118 6.756 9.075 456 H PHE 61 HN PHE 61 -6.800 5.487 6.997 457 HA PHE 61 HA PHE 61 -4.879 6.730 5.384 458 HD1 PHE 61 HD1 PHE 61 -2.401 5.408 5.484 459 HD2 PHE 61 HD2 PHE 61 -5.163 3.040 3.282 460 HE1 PHE 61 HE1 PHE 61 -0.634 4.860 3.860 461 HE2 PHE 61 HE2 PHE 61 -3.403 2.492 1.654 462 HZ PHE 61 HZ PHE 61 -1.133 3.402 1.942 463 HB2 PHE 61 HB2 PHE 61 -4.536 4.553 6.477 464 HB3 PHE 61 HB1 PHE 61 -5.741 3.826 5.425 465 H SER 62 HN SER 62 -7.788 4.901 4.544 466 HA SER 62 HA SER 62 -7.608 4.990 1.773 467 HG SER 62 HG SER 62 -10.010 4.049 0.903 468 HB2 SER 62 HB2 SER 62 -9.281 3.619 2.899 469 HB3 SER 62 HB1 SER 62 -10.081 5.060 3.529 470 H ASN 63 HN ASN 63 -9.463 7.220 3.875 471 HA ASN 63 HA ASN 63 -10.307 8.994 1.922 472 HB2 ASN 63 HB2 ASN 63 -9.780 9.300 4.852 473 HB3 ASN 63 HB1 ASN 63 -10.129 10.734 3.895 474 HD21 ASN 63 HD21 ASN 63 -11.510 7.559 3.289 475 HD22 ASN 63 HD22 ASN 63 -13.128 7.978 3.733 476 H SER 64 HN SER 64 -7.234 8.947 3.653 477 HA SER 64 HA SER 64 -6.219 11.390 2.734 478 HG SER 64 HG SER 64 -5.856 9.515 5.223 479 HB2 SER 64 HB2 SER 64 -4.726 8.850 3.443 480 HB3 SER 64 HB1 SER 64 -4.002 10.452 3.295 481 H LEU 65 HN LEU 65 -5.965 8.119 1.359 482 HA LEU 65 HA LEU 65 -4.459 8.986 -0.907 483 HG LEU 65 HG LEU 65 -3.614 5.427 -0.628 484 HB2 LEU 65 HB2 LEU 65 -5.803 6.443 -0.114 485 HB3 LEU 65 HB1 LEU 65 -5.326 6.661 -1.785 486 HD11 LEU 65 HD11 LEU 65 -1.681 6.898 -1.016 487 HD12 LEU 65 HD12 LEU 65 -2.780 8.269 -1.168 488 HD13 LEU 65 HD13 LEU 65 -2.852 6.947 -2.333 489 HD21 LEU 65 HD21 LEU 65 -4.078 6.148 1.653 490 HD22 LEU 65 HD22 LEU 65 -3.465 7.758 1.278 491 HD23 LEU 65 HD23 LEU 65 -2.375 6.372 1.256 492 H ILE 66 HN ILE 66 -7.875 8.577 -0.209 493 HA ILE 66 HA ILE 66 -8.838 8.829 -2.850 494 HB ILE 66 HB ILE 66 -10.232 9.837 -0.359 495 HG12 ILE 66 HG12 ILE 66 -9.609 7.524 0.011 496 HG13 ILE 66 HG11 ILE 66 -11.338 7.618 -0.292 497 HG21 ILE 66 HG21 ILE 66 -11.307 8.936 -3.029 498 HG22 ILE 66 HG22 ILE 66 -11.271 10.590 -2.416 499 HG23 ILE 66 HG23 ILE 66 -12.288 9.381 -1.632 500 HD11 ILE 66 HD11 ILE 66 -10.394 5.715 -1.412 501 HD12 ILE 66 HD12 ILE 66 -9.222 6.742 -2.238 502 HD13 ILE 66 HD13 ILE 66 -10.939 6.893 -2.605 503 H ASN 67 HN ASN 67 -7.785 11.170 -0.453 504 HA ASN 67 HA ASN 67 -8.597 13.441 -2.004 505 HB2 ASN 67 HB2 ASN 67 -6.908 13.123 0.460 506 HB3 ASN 67 HB1 ASN 67 -7.015 14.671 -0.374 507 HD21 ASN 67 HD21 ASN 67 -7.891 14.001 2.287 508 HD22 ASN 67 HD22 ASN 67 -9.589 14.318 2.344 509 H ALA 68 HN ALA 68 -5.736 11.452 -1.816 510 HA ALA 68 HA ALA 68 -4.026 13.140 -3.316 511 HB1 ALA 68 HB1 ALA 68 -4.079 10.124 -3.154 512 HB2 ALA 68 HB2 ALA 68 -3.156 11.208 -2.111 513 HB3 ALA 68 HB3 ALA 68 -2.765 11.088 -3.827 514 H VAL 69 HN VAL 69 -6.177 10.478 -4.250 515 HA VAL 69 HA VAL 69 -5.953 10.777 -7.036 516 HB VAL 69 HB VAL 69 -8.314 9.775 -5.427 517 HG11 VAL 69 HG11 VAL 69 -8.978 8.605 -7.465 518 HG12 VAL 69 HG12 VAL 69 -7.646 9.364 -8.337 519 HG13 VAL 69 HG13 VAL 69 -8.960 10.353 -7.701 520 HG21 VAL 69 HG21 VAL 69 -7.408 7.546 -5.895 521 HG22 VAL 69 HG22 VAL 69 -6.285 8.527 -4.954 522 HG23 VAL 69 HG23 VAL 69 -6.012 8.286 -6.680 523 H LYS 70 HN LYS 70 -8.105 12.226 -4.660 524 HA LYS 70 HA LYS 70 -9.797 13.735 -6.238 525 HB2 LYS 70 HB2 LYS 70 -9.739 13.460 -3.697 526 HB3 LYS 70 HB1 LYS 70 -8.539 14.743 -3.685 527 HG2 LYS 70 HG2 LYS 70 -10.547 15.807 -3.204 528 HG3 LYS 70 HG1 LYS 70 -10.284 16.140 -4.917 529 HD2 LYS 70 HD2 LYS 70 -12.605 15.514 -4.481 530 HD3 LYS 70 HD1 LYS 70 -11.803 14.325 -5.509 531 HE2 LYS 70 HE2 LYS 70 -13.218 13.316 -3.740 532 HE3 LYS 70 HE1 LYS 70 -11.530 12.820 -3.660 533 HZ1 LYS 70 HZ1 LYS 70 -11.160 14.297 -1.837 534 HZ2 LYS 70 HZ2 LYS 70 -12.532 13.374 -1.476 535 HZ3 LYS 70 HZ3 LYS 70 -12.702 14.982 -1.990 536 H THR 71 HN THR 71 -6.536 14.500 -5.118 537 HA THR 71 HA THR 71 -6.440 17.103 -6.244 538 HB THR 71 HB THR 71 -4.111 15.318 -5.508 539 HG1 THR 71 HG1 THR 71 -5.366 15.491 -3.684 540 HG21 THR 71 HG21 THR 71 -2.915 17.412 -5.137 541 HG22 THR 71 HG22 THR 71 -4.341 18.331 -5.620 542 HG23 THR 71 HG23 THR 71 -3.497 17.324 -6.798 543 H ARG 72 HN ARG 72 -5.756 13.905 -7.492 544 HA ARG 72 HA ARG 72 -4.405 14.809 -9.852 545 HE ARG 72 HE ARG 72 -3.349 11.788 -13.493 546 HB2 ARG 72 HB2 ARG 72 -4.724 12.366 -8.685 547 HB3 ARG 72 HB1 ARG 72 -5.905 12.259 -9.983 548 HG2 ARG 72 HG2 ARG 72 -2.941 12.727 -10.228 549 HG3 ARG 72 HG1 ARG 72 -3.863 11.326 -10.775 550 HD2 ARG 72 HD2 ARG 72 -5.078 12.844 -12.346 551 HD3 ARG 72 HD1 ARG 72 -3.970 14.131 -11.873 552 HH11 ARG 72 HH11 ARG 72 -2.190 14.680 -11.886 553 HH12 ARG 72 HH12 ARG 72 -0.740 14.776 -12.843 554 HH21 ARG 72 HH21 ARG 72 -1.448 11.913 -14.739 555 HH22 ARG 72 HH22 ARG 72 -0.315 13.198 -14.458 556 H LEU 73 HN LEU 73 -7.725 14.143 -8.928 557 HA LEU 73 HA LEU 73 -8.851 14.467 -11.533 558 HG LEU 73 HG LEU 73 -9.187 12.418 -9.291 559 HB2 LEU 73 HB2 LEU 73 -10.129 14.685 -8.804 560 HB3 LEU 73 HB1 LEU 73 -10.998 14.597 -10.324 561 HD11 LEU 73 HD11 LEU 73 -12.190 12.649 -9.178 562 HD12 LEU 73 HD12 LEU 73 -11.083 12.670 -7.805 563 HD13 LEU 73 HD13 LEU 73 -11.259 11.207 -8.774 564 HD21 LEU 73 HD21 LEU 73 -9.446 12.463 -11.727 565 HD22 LEU 73 HD22 LEU 73 -11.200 12.448 -11.540 566 HD23 LEU 73 HD23 LEU 73 -10.246 11.059 -11.020 567 H GLU 74 HN GLU 74 -7.927 16.600 -8.978 568 HA GLU 74 HA GLU 74 -9.398 18.878 -9.770 569 HB2 GLU 74 HB2 GLU 74 -8.380 18.707 -7.554 570 HB3 GLU 74 HB1 GLU 74 -6.778 18.659 -8.274 571 HG2 GLU 74 HG2 GLU 74 -7.387 20.853 -7.300 572 HG3 GLU 74 HG1 GLU 74 -6.956 20.920 -9.007 573 H HIS 75 HN HIS 75 -9.089 20.273 -11.362 574 HA HIS 75 HA HIS 75 -6.583 20.523 -12.769 575 HD1 HIS 75 HD1 HIS 75 -5.396 18.258 -14.525 576 HD2 HIS 75 HD2 HIS 75 -7.952 20.739 -16.669 577 HE1 HIS 75 HE1 HIS 75 -4.248 18.681 -16.720 578 HE2 HIS 75 HE2 HIS 75 -5.968 19.895 -18.094 579 HB2 HIS 75 HB2 HIS 75 -7.806 18.385 -13.593 580 HB3 HIS 75 HB1 HIS 75 -8.924 19.498 -14.368 581 H HIS 76 HN HIS 76 -8.775 22.080 -11.355 582 HA HIS 76 HA HIS 76 -10.059 23.606 -13.451 583 HD1 HIS 76 HD1 HIS 76 -12.354 23.510 -9.332 584 HD2 HIS 76 HD2 HIS 76 -11.587 21.651 -12.969 585 HE1 HIS 76 HE1 HIS 76 -13.975 21.594 -9.464 586 HE2 HIS 76 HE2 HIS 76 -13.379 20.384 -11.590 587 HB2 HIS 76 HB2 HIS 76 -10.013 24.072 -10.467 588 HB3 HIS 76 HB1 HIS 76 -11.038 24.917 -11.617 589 H HIS 77 HN HIS 77 -8.159 24.437 -14.504 590 HA HIS 77 HA HIS 77 -7.333 26.946 -13.224 591 HD1 HIS 77 HD1 HIS 77 -4.952 27.474 -11.793 592 HD2 HIS 77 HD2 HIS 77 -5.090 23.356 -12.359 593 HE1 HIS 77 HE1 HIS 77 -4.255 26.464 -9.596 594 HE2 HIS 77 HE2 HIS 77 -4.482 23.971 -9.920 595 HB2 HIS 77 HB2 HIS 77 -5.503 24.948 -14.553 596 HB3 HIS 77 HB1 HIS 77 -5.055 26.636 -14.333 597 H HIS 78 HN HIS 78 -7.683 25.060 -16.155 598 HA HIS 78 HA HIS 78 -8.541 27.503 -17.529 599 HD1 HIS 78 HD1 HIS 78 -6.258 28.718 -20.057 600 HD2 HIS 78 HD2 HIS 78 -8.655 25.424 -20.906 601 HE1 HIS 78 HE1 HIS 78 -7.058 29.042 -22.425 602 HE2 HIS 78 HE2 HIS 78 -8.644 27.126 -22.849 603 HB2 HIS 78 HB2 HIS 78 -6.217 27.034 -18.237 604 HB3 HIS 78 HB1 HIS 78 -6.686 25.404 -18.693 605 H HIS 79 HN HIS 79 -10.701 26.833 -17.285 606 HA HIS 79 HA HIS 79 -11.473 24.215 -18.148 607 HD1 HIS 79 HD1 HIS 79 -12.516 27.734 -15.739 608 HD2 HIS 79 HD2 HIS 79 -14.800 27.219 -19.181 609 HE1 HIS 79 HE1 HIS 79 -13.599 29.960 -16.178 610 HE2 HIS 79 HE2 HIS 79 -14.869 29.664 -18.342 611 HB2 HIS 79 HB2 HIS 79 -13.802 24.956 -17.853 612 HB3 HIS 79 HB1 HIS 79 -12.817 25.281 -16.437 613 H HIS 80 HN HIS 80 -11.928 27.471 -19.504 614 HA HIS 80 HA HIS 80 -11.345 26.553 -22.143 615 HD1 HIS 80 HD1 HIS 80 -15.586 25.264 -21.515 616 HD2 HIS 80 HD2 HIS 80 -12.187 24.854 -23.871 617 HE1 HIS 80 HE1 HIS 80 -15.647 22.906 -22.390 618 HE2 HIS 80 HE2 HIS 80 -13.468 22.619 -23.621 619 HB2 HIS 80 HB2 HIS 80 -14.189 27.277 -21.448 620 HB3 HIS 80 HB1 HIS 80 -13.558 27.573 -23.062 621 HA MET 1 HA MET 1 13.813 -16.626 -21.931 622 H1 MET 1 HT1 MET 1 14.404 -16.246 -24.807 623 H2 MET 1 HT2 MET 1 13.165 -17.220 -24.181 624 H3 MET 1 HT3 MET 1 14.784 -17.607 -23.867 625 HB2 MET 1 HB2 MET 1 15.722 -14.765 -23.363 626 HB3 MET 1 HB1 MET 1 15.340 -14.671 -21.651 627 HG2 MET 1 HG2 MET 1 17.432 -15.767 -21.884 628 HG3 MET 1 HG1 MET 1 16.244 -16.970 -21.387 629 HE1 MET 1 HE1 MET 1 17.926 -18.913 -22.066 630 HE2 MET 1 HE2 MET 1 19.112 -17.701 -22.551 631 HE3 MET 1 HE3 MET 1 18.704 -19.021 -23.646 632 H ALA 2 HN ALA 2 11.759 -15.973 -21.766 633 HA ALA 2 HA ALA 2 11.148 -13.254 -22.707 634 HB1 ALA 2 HB1 ALA 2 10.144 -14.837 -24.285 635 HB2 ALA 2 HB2 ALA 2 8.910 -13.959 -23.381 636 HB3 ALA 2 HB3 ALA 2 9.298 -15.625 -22.953 637 H GLN 3 HN GLN 3 8.711 -12.856 -21.727 638 HA GLN 3 HA GLN 3 9.094 -12.680 -18.921 639 HB2 GLN 3 HB2 GLN 3 6.611 -12.216 -20.592 640 HB3 GLN 3 HB1 GLN 3 6.764 -11.800 -18.892 641 HG2 GLN 3 HG2 GLN 3 7.190 -9.780 -19.859 642 HG3 GLN 3 HG1 GLN 3 8.825 -10.419 -19.723 643 HE21 GLN 3 HE21 GLN 3 7.819 -8.394 -21.522 644 HE22 GLN 3 HE22 GLN 3 8.120 -8.973 -23.126 645 H HIS 4 HN HIS 4 6.565 -14.376 -20.787 646 HA HIS 4 HA HIS 4 5.464 -16.336 -20.465 647 HD1 HIS 4 HD1 HIS 4 6.295 -18.883 -21.851 648 HD2 HIS 4 HD2 HIS 4 6.746 -19.429 -17.752 649 HE1 HIS 4 HE1 HIS 4 5.448 -21.199 -21.375 650 HE2 HIS 4 HE2 HIS 4 5.552 -21.433 -18.865 651 HB2 HIS 4 HB2 HIS 4 7.863 -17.134 -20.638 652 HB3 HIS 4 HB1 HIS 4 7.899 -17.191 -18.881 653 H SER 5 HN SER 5 5.228 -14.178 -18.421 654 HA SER 5 HA SER 5 4.392 -15.852 -16.155 655 HG SER 5 HG SER 5 7.081 -14.748 -16.383 656 HB2 SER 5 HB2 SER 5 5.542 -13.056 -16.048 657 HB3 SER 5 HB1 SER 5 4.950 -13.969 -14.659 658 H LYS 6 HN LYS 6 2.271 -16.015 -16.471 659 HA LYS 6 HA LYS 6 0.705 -13.616 -16.975 660 HB2 LYS 6 HB2 LYS 6 -1.204 -15.227 -17.295 661 HB3 LYS 6 HB1 LYS 6 0.087 -15.375 -18.475 662 HG2 LYS 6 HG2 LYS 6 0.653 -17.452 -17.795 663 HG3 LYS 6 HG1 LYS 6 0.277 -17.121 -16.104 664 HD2 LYS 6 HD2 LYS 6 -1.736 -17.622 -18.303 665 HD3 LYS 6 HD1 LYS 6 -1.269 -18.770 -17.046 666 HE2 LYS 6 HE2 LYS 6 -2.001 -16.952 -15.390 667 HE3 LYS 6 HE1 LYS 6 -2.796 -16.200 -16.770 668 HZ1 LYS 6 HZ1 LYS 6 -4.296 -17.610 -15.501 669 HZ2 LYS 6 HZ2 LYS 6 -3.303 -18.956 -15.786 670 HZ3 LYS 6 HZ3 LYS 6 -4.101 -18.201 -17.078 671 H TYR 7 HN TYR 7 1.400 -13.022 -14.820 672 HA TYR 7 HA TYR 7 0.864 -12.499 -12.666 673 HD1 TYR 7 HD2 TYR 7 -1.092 -10.647 -11.992 674 HD2 TYR 7 HD1 TYR 7 -2.448 -13.069 -15.222 675 HE1 TYR 7 HE2 TYR 7 -1.997 -8.651 -13.105 676 HE2 TYR 7 HE1 TYR 7 -3.353 -11.077 -16.340 677 HH TYR 7 HH TYR 7 -2.622 -7.886 -15.271 678 HB2 TYR 7 HB2 TYR 7 -1.649 -14.089 -13.249 679 HB3 TYR 7 HB1 TYR 7 -1.380 -13.149 -11.787 680 H SER 8 HN SER 8 2.652 -14.459 -13.017 681 HA SER 8 HA SER 8 2.172 -16.910 -11.800 682 HG SER 8 HG SER 8 5.353 -17.772 -11.941 683 HB2 SER 8 HB2 SER 8 4.171 -16.500 -13.136 684 HB3 SER 8 HB1 SER 8 4.722 -15.290 -11.978 685 H ASP 9 HN ASP 9 1.678 -17.372 -9.793 686 HA ASP 9 HA ASP 9 1.684 -15.434 -7.711 687 HB2 ASP 9 HB2 ASP 9 0.122 -17.389 -7.828 688 HB3 ASP 9 HB1 ASP 9 1.483 -18.445 -7.472 689 H ALA 10 HN ALA 10 4.038 -17.332 -9.136 690 HA ALA 10 HA ALA 10 5.744 -17.519 -6.768 691 HB1 ALA 10 HB1 ALA 10 7.300 -18.708 -8.219 692 HB2 ALA 10 HB2 ALA 10 6.283 -18.362 -9.617 693 HB3 ALA 10 HB3 ALA 10 5.687 -19.412 -8.329 694 H GLN 11 HN GLN 11 5.494 -15.813 -9.839 695 HA GLN 11 HA GLN 11 7.865 -14.265 -9.473 696 HB2 GLN 11 HB2 GLN 11 6.769 -14.556 -11.686 697 HB3 GLN 11 HB1 GLN 11 5.405 -13.610 -11.113 698 HG2 GLN 11 HG2 GLN 11 6.767 -12.200 -12.454 699 HG3 GLN 11 HG1 GLN 11 6.949 -11.691 -10.778 700 HE21 GLN 11 HE21 GLN 11 8.708 -11.270 -13.069 701 HE22 GLN 11 HE22 GLN 11 10.238 -11.941 -12.630 702 H LEU 12 HN LEU 12 4.450 -13.847 -8.737 703 HA LEU 12 HA LEU 12 4.518 -11.240 -7.752 704 HG LEU 12 HG LEU 12 2.665 -11.570 -5.317 705 HB2 LEU 12 HB2 LEU 12 2.436 -12.469 -8.192 706 HB3 LEU 12 HB1 LEU 12 2.781 -13.542 -6.849 707 HD11 LEU 12 HD11 LEU 12 1.621 -9.523 -6.135 708 HD12 LEU 12 HD12 LEU 12 1.632 -10.167 -7.776 709 HD13 LEU 12 HD13 LEU 12 3.155 -9.832 -6.953 710 HD21 LEU 12 HD21 LEU 12 0.758 -13.072 -5.593 711 HD22 LEU 12 HD22 LEU 12 0.189 -12.104 -6.954 712 HD23 LEU 12 HD23 LEU 12 0.233 -11.408 -5.333 713 H SER 13 HN SER 13 4.657 -14.295 -5.891 714 HA SER 13 HA SER 13 4.996 -13.152 -3.393 715 HG SER 13 HG SER 13 6.464 -16.828 -4.233 716 HB2 SER 13 HB2 SER 13 6.005 -15.352 -2.748 717 HB3 SER 13 HB1 SER 13 4.467 -15.483 -3.595 718 H ALA 14 HN ALA 14 7.496 -14.165 -5.708 719 HA ALA 14 HA ALA 14 9.721 -13.596 -4.106 720 HB1 ALA 14 HB1 ALA 14 9.504 -13.456 -7.111 721 HB2 ALA 14 HB2 ALA 14 9.869 -14.896 -6.160 722 HB3 ALA 14 HB3 ALA 14 11.003 -13.546 -6.187 723 H ILE 15 HN ILE 15 7.721 -11.481 -6.074 724 HA ILE 15 HA ILE 15 9.513 -9.250 -5.952 725 HB ILE 15 HB ILE 15 6.600 -9.447 -6.708 726 HG12 ILE 15 HG12 ILE 15 9.087 -8.956 -8.358 727 HG13 ILE 15 HG11 ILE 15 8.253 -10.501 -8.227 728 HG21 ILE 15 HG21 ILE 15 6.830 -7.148 -7.579 729 HG22 ILE 15 HG22 ILE 15 8.416 -7.044 -6.814 730 HG23 ILE 15 HG23 ILE 15 6.970 -7.233 -5.822 731 HD11 ILE 15 HD11 ILE 15 7.696 -9.357 -10.294 732 HD12 ILE 15 HD12 ILE 15 7.099 -7.971 -9.378 733 HD13 ILE 15 HD13 ILE 15 6.278 -9.527 -9.259 734 H VAL 16 HN VAL 16 6.481 -10.104 -4.261 735 HA VAL 16 HA VAL 16 6.461 -7.762 -2.650 736 HB VAL 16 HB VAL 16 5.216 -10.222 -1.538 737 HG11 VAL 16 HG11 VAL 16 4.900 -7.997 -0.540 738 HG12 VAL 16 HG12 VAL 16 3.382 -8.720 -1.072 739 HG13 VAL 16 HG13 VAL 16 4.139 -7.450 -2.037 740 HG21 VAL 16 HG21 VAL 16 4.824 -10.600 -3.892 741 HG22 VAL 16 HG22 VAL 16 4.231 -8.951 -4.089 742 HG23 VAL 16 HG23 VAL 16 3.324 -10.104 -3.108 743 H ASN 17 HN ASN 17 7.826 -10.963 -2.291 744 HA ASN 17 HA ASN 17 8.595 -10.828 0.409 745 HB2 ASN 17 HB2 ASN 17 8.589 -12.927 -0.838 746 HB3 ASN 17 HB1 ASN 17 9.847 -12.323 -1.908 747 HD21 ASN 17 HD21 ASN 17 9.115 -13.562 1.246 748 HD22 ASN 17 HD22 ASN 17 10.751 -13.855 1.739 749 H ASP 18 HN ASP 18 10.259 -9.825 -2.559 750 HA ASP 18 HA ASP 18 12.716 -9.246 -1.297 751 HB2 ASP 18 HB2 ASP 18 12.422 -9.692 -3.754 752 HB3 ASP 18 HB1 ASP 18 11.671 -8.107 -3.898 753 H MET 19 HN MET 19 9.897 -7.310 -2.226 754 HA MET 19 HA MET 19 10.843 -4.787 -1.564 755 HB2 MET 19 HB2 MET 19 8.067 -5.943 -1.376 756 HB3 MET 19 HB1 MET 19 8.414 -4.249 -1.067 757 HG2 MET 19 HG2 MET 19 9.310 -4.025 -3.332 758 HG3 MET 19 HG1 MET 19 8.929 -5.718 -3.640 759 HE1 MET 19 HE1 MET 19 6.312 -3.648 -5.775 760 HE2 MET 19 HE2 MET 19 7.636 -4.810 -5.844 761 HE3 MET 19 HE3 MET 19 7.956 -3.138 -5.389 762 H ILE 20 HN ILE 20 9.337 -7.206 0.566 763 HA ILE 20 HA ILE 20 9.431 -5.614 2.909 764 HB ILE 20 HB ILE 20 9.448 -8.629 2.678 765 HG12 ILE 20 HG12 ILE 20 7.147 -6.703 3.098 766 HG13 ILE 20 HG11 ILE 20 7.511 -7.532 1.588 767 HG21 ILE 20 HG21 ILE 20 10.203 -7.889 4.875 768 HG22 ILE 20 HG22 ILE 20 8.593 -8.603 4.979 769 HG23 ILE 20 HG23 ILE 20 8.784 -6.851 5.026 770 HD11 ILE 20 HD11 ILE 20 6.759 -8.865 4.181 771 HD12 ILE 20 HD12 ILE 20 7.072 -9.674 2.645 772 HD13 ILE 20 HD13 ILE 20 5.687 -8.596 2.806 773 H ALA 21 HN ALA 21 11.662 -7.999 1.532 774 HA ALA 21 HA ALA 21 13.550 -7.957 3.613 775 HB1 ALA 21 HB1 ALA 21 13.468 -9.674 1.845 776 HB2 ALA 21 HB2 ALA 21 15.075 -8.974 2.040 777 HB3 ALA 21 HB3 ALA 21 14.056 -8.479 0.688 778 H VAL 22 HN VAL 22 13.184 -5.961 0.731 779 HA VAL 22 HA VAL 22 15.564 -4.451 1.039 780 HB VAL 22 HB VAL 22 12.982 -3.585 -0.283 781 HG11 VAL 22 HG11 VAL 22 14.530 -1.746 0.092 782 HG12 VAL 22 HG12 VAL 22 14.408 -2.121 -1.626 783 HG13 VAL 22 HG13 VAL 22 15.817 -2.651 -0.707 784 HG21 VAL 22 HG21 VAL 22 15.314 -5.121 -1.430 785 HG22 VAL 22 HG22 VAL 22 14.036 -4.379 -2.393 786 HG23 VAL 22 HG23 VAL 22 13.644 -5.684 -1.269 787 H LEU 23 HN LEU 23 12.227 -3.979 2.098 788 HA LEU 23 HA LEU 23 12.473 -1.485 3.321 789 HG LEU 23 HG LEU 23 10.812 -2.155 5.916 790 HB2 LEU 23 HB2 LEU 23 10.332 -2.580 2.964 791 HB3 LEU 23 HB1 LEU 23 10.764 -3.851 4.089 792 HD11 LEU 23 HD11 LEU 23 9.753 0.019 5.504 793 HD12 LEU 23 HD12 LEU 23 9.678 -0.353 3.781 794 HD13 LEU 23 HD13 LEU 23 11.241 -0.173 4.577 795 HD21 LEU 23 HD21 LEU 23 8.397 -1.969 6.108 796 HD22 LEU 23 HD22 LEU 23 8.852 -3.564 5.505 797 HD23 LEU 23 HD23 LEU 23 8.218 -2.350 4.395 798 H GLU 24 HN GLU 24 12.735 -4.709 4.845 799 HA GLU 24 HA GLU 24 13.644 -3.566 7.308 800 HB2 GLU 24 HB2 GLU 24 12.319 -5.661 7.219 801 HB3 GLU 24 HB1 GLU 24 13.681 -6.467 6.449 802 HG2 GLU 24 HG2 GLU 24 15.015 -6.258 8.386 803 HG3 GLU 24 HG1 GLU 24 13.873 -5.149 9.138 804 H LYS 25 HN LYS 25 15.170 -4.231 4.398 805 HA LYS 25 HA LYS 25 17.768 -4.906 5.307 806 HB2 LYS 25 HB2 LYS 25 16.810 -5.002 2.914 807 HB3 LYS 25 HB1 LYS 25 17.193 -3.290 2.832 808 HG2 LYS 25 HG2 LYS 25 19.526 -3.732 3.129 809 HG3 LYS 25 HG1 LYS 25 19.204 -5.438 3.449 810 HD2 LYS 25 HD2 LYS 25 18.654 -4.003 0.849 811 HD3 LYS 25 HD1 LYS 25 20.015 -5.082 1.158 812 HE2 LYS 25 HE2 LYS 25 18.434 -6.919 1.590 813 HE3 LYS 25 HE1 LYS 25 17.092 -5.835 1.230 814 HZ1 LYS 25 HZ1 LYS 25 17.608 -7.184 -0.683 815 HZ2 LYS 25 HZ2 LYS 25 19.227 -6.680 -0.656 816 HZ3 LYS 25 HZ3 LYS 25 18.001 -5.566 -1.024 817 H HIS 26 HN HIS 26 15.985 -1.932 4.991 818 HA HIS 26 HA HIS 26 18.267 -0.409 6.035 819 HD1 HIS 26 HD1 HIS 26 19.150 0.995 3.958 820 HD2 HIS 26 HD2 HIS 26 15.307 0.433 2.483 821 HE1 HIS 26 HE1 HIS 26 19.384 0.992 1.459 822 HE2 HIS 26 HE2 HIS 26 17.008 0.977 0.610 823 HB2 HIS 26 HB2 HIS 26 15.546 0.595 5.153 824 HB3 HIS 26 HB1 HIS 26 16.916 1.594 5.616 825 H LYS 27 HN LYS 27 15.415 -1.965 6.904 826 HA LYS 27 HA LYS 27 14.250 -2.298 8.789 827 HB2 LYS 27 HB2 LYS 27 16.550 -2.707 9.721 828 HB3 LYS 27 HB1 LYS 27 16.552 -1.039 10.283 829 HG2 LYS 27 HG2 LYS 27 15.917 -2.422 12.117 830 HG3 LYS 27 HG1 LYS 27 14.481 -1.545 11.585 831 HD2 LYS 27 HD2 LYS 27 13.920 -3.598 10.198 832 HD3 LYS 27 HD1 LYS 27 15.182 -4.434 11.104 833 HE2 LYS 27 HE2 LYS 27 13.984 -3.768 13.202 834 HE3 LYS 27 HE1 LYS 27 12.673 -3.167 12.190 835 HZ1 LYS 27 HZ1 LYS 27 12.781 -5.567 11.203 836 HZ2 LYS 27 HZ2 LYS 27 11.957 -5.274 12.652 837 HZ3 LYS 27 HZ3 LYS 27 13.514 -5.936 12.689 838 H ALA 28 HN ALA 28 12.602 -0.893 8.282 839 HA ALA 28 HA ALA 28 12.706 1.738 9.587 840 HB1 ALA 28 HB1 ALA 28 12.237 1.788 7.176 841 HB2 ALA 28 HB2 ALA 28 10.874 2.387 8.121 842 HB3 ALA 28 HB3 ALA 28 10.828 0.761 7.436 843 HA PRO 29 HA PRO 29 9.844 0.190 12.662 844 HB2 PRO 29 HB2 PRO 29 9.040 3.026 12.882 845 HB3 PRO 29 HB1 PRO 29 9.675 1.943 14.123 846 HG2 PRO 29 HG2 PRO 29 11.157 3.925 13.097 847 HG3 PRO 29 HG1 PRO 29 11.872 2.369 13.562 848 HD2 PRO 29 HD2 PRO 29 11.188 3.414 10.846 849 HD3 PRO 29 HD1 PRO 29 12.580 2.439 11.365 850 H VAL 30 HN VAL 30 7.538 0.095 12.984 851 HA VAL 30 HA VAL 30 6.071 -0.184 10.626 852 HB VAL 30 HB VAL 30 4.070 -0.400 12.045 853 HG11 VAL 30 HG11 VAL 30 6.509 -1.791 13.151 854 HG12 VAL 30 HG12 VAL 30 5.552 -2.314 11.765 855 HG13 VAL 30 HG13 VAL 30 4.837 -2.308 13.378 856 HG21 VAL 30 HG21 VAL 30 4.249 -0.186 14.478 857 HG22 VAL 30 HG22 VAL 30 4.546 1.355 13.671 858 HG23 VAL 30 HG23 VAL 30 5.898 0.415 14.303 859 H ASP 31 HN ASP 31 6.462 2.610 12.673 860 HA ASP 31 HA ASP 31 4.298 4.085 11.506 861 HB2 ASP 31 HB2 ASP 31 4.993 4.624 13.757 862 HB3 ASP 31 HB1 ASP 31 6.637 4.952 13.215 863 H LEU 32 HN LEU 32 7.847 4.281 11.254 864 HA LEU 32 HA LEU 32 7.911 6.295 9.293 865 HG LEU 32 HG LEU 32 10.341 5.464 7.714 866 HB2 LEU 32 HB2 LEU 32 9.847 5.628 10.685 867 HB3 LEU 32 HB1 LEU 32 9.936 4.111 9.811 868 HD11 LEU 32 HD11 LEU 32 10.764 7.683 9.713 869 HD12 LEU 32 HD12 LEU 32 9.458 7.591 8.532 870 HD13 LEU 32 HD13 LEU 32 11.128 7.750 7.988 871 HD21 LEU 32 HD21 LEU 32 12.357 5.714 9.945 872 HD22 LEU 32 HD22 LEU 32 12.699 5.825 8.219 873 HD23 LEU 32 HD23 LEU 32 12.131 4.304 8.909 874 H SER 33 HN SER 33 7.851 2.773 9.069 875 HA SER 33 HA SER 33 8.134 2.585 6.265 876 HG SER 33 HG SER 33 6.624 0.573 5.670 877 HB2 SER 33 HB2 SER 33 8.478 0.657 7.735 878 HB3 SER 33 HB1 SER 33 6.779 0.697 8.208 879 H LEU 34 HN LEU 34 5.399 3.150 8.365 880 HA LEU 34 HA LEU 34 3.360 2.649 6.466 881 HG LEU 34 HG LEU 34 1.096 4.169 7.301 882 HB2 LEU 34 HB2 LEU 34 3.211 2.904 9.045 883 HB3 LEU 34 HB1 LEU 34 3.097 4.622 8.713 884 HD11 LEU 34 HD11 LEU 34 1.392 1.381 8.422 885 HD12 LEU 34 HD12 LEU 34 1.561 1.852 6.731 886 HD13 LEU 34 HD13 LEU 34 -0.005 1.985 7.528 887 HD21 LEU 34 HD21 LEU 34 0.889 3.178 10.144 888 HD22 LEU 34 HD22 LEU 34 -0.425 3.822 9.158 889 HD23 LEU 34 HD23 LEU 34 0.902 4.872 9.654 890 H ILE 35 HN ILE 35 5.289 5.455 7.295 891 HA ILE 35 HA ILE 35 3.849 7.331 5.722 892 HB ILE 35 HB ILE 35 6.782 7.482 6.445 893 HG12 ILE 35 HG12 ILE 35 4.417 8.497 8.042 894 HG13 ILE 35 HG11 ILE 35 5.328 7.044 8.436 895 HG21 ILE 35 HG21 ILE 35 6.050 9.102 4.781 896 HG22 ILE 35 HG22 ILE 35 6.402 9.905 6.311 897 HG23 ILE 35 HG23 ILE 35 4.731 9.609 5.835 898 HD11 ILE 35 HD11 ILE 35 6.030 8.908 9.808 899 HD12 ILE 35 HD12 ILE 35 6.413 9.848 8.365 900 HD13 ILE 35 HD13 ILE 35 7.339 8.395 8.743 901 H ALA 36 HN ALA 36 6.753 5.366 5.112 902 HA ALA 36 HA ALA 36 7.222 6.177 2.478 903 HB1 ALA 36 HB1 ALA 36 8.497 4.098 2.259 904 HB2 ALA 36 HB2 ALA 36 7.784 3.500 3.759 905 HB3 ALA 36 HB3 ALA 36 8.849 4.907 3.788 906 H LEU 37 HN LEU 37 5.227 3.568 3.814 907 HA LEU 37 HA LEU 37 4.311 2.504 1.382 908 HG LEU 37 HG LEU 37 1.379 1.936 2.202 909 HB2 LEU 37 HB2 LEU 37 4.020 1.401 3.562 910 HB3 LEU 37 HB1 LEU 37 2.891 2.652 4.043 911 HD11 LEU 37 HD11 LEU 37 3.000 0.936 0.717 912 HD12 LEU 37 HD12 LEU 37 1.778 -0.255 1.163 913 HD13 LEU 37 HD13 LEU 37 3.373 -0.303 1.915 914 HD21 LEU 37 HD21 LEU 37 0.596 -0.094 3.307 915 HD22 LEU 37 HD22 LEU 37 1.045 1.140 4.485 916 HD23 LEU 37 HD23 LEU 37 2.126 -0.219 4.176 917 H GLY 38 HN GLY 38 2.990 5.050 3.468 918 HA2 GLY 38 HA2 GLY 38 0.712 5.661 1.956 919 HA3 GLY 38 HA1 GLY 38 1.544 6.770 3.037 920 H ASN 39 HN ASN 39 3.930 7.245 1.898 921 HA ASN 39 HA ASN 39 3.342 9.011 -0.198 922 HB2 ASN 39 HB2 ASN 39 5.329 9.122 1.331 923 HB3 ASN 39 HB1 ASN 39 6.044 7.800 0.414 924 HD21 ASN 39 HD21 ASN 39 7.777 8.974 -0.317 925 HD22 ASN 39 HD22 ASN 39 7.633 10.258 -1.466 926 H MET 40 HN MET 40 4.527 5.687 -0.238 927 HA MET 40 HA MET 40 5.075 5.558 -3.018 928 HB2 MET 40 HB2 MET 40 5.973 3.943 -1.380 929 HB3 MET 40 HB1 MET 40 4.352 3.326 -1.108 930 HG2 MET 40 HG2 MET 40 5.595 1.853 -2.561 931 HG3 MET 40 HG1 MET 40 4.246 2.580 -3.432 932 HE1 MET 40 HE1 MET 40 6.858 1.091 -4.703 933 HE2 MET 40 HE2 MET 40 7.148 2.129 -6.099 934 HE3 MET 40 HE3 MET 40 5.500 1.668 -5.671 935 H ALA 41 HN ALA 41 2.256 4.575 -1.091 936 HA ALA 41 HA ALA 41 0.693 3.585 -3.196 937 HB1 ALA 41 HB1 ALA 41 -0.221 4.887 -0.633 938 HB2 ALA 41 HB2 ALA 41 0.162 3.179 -0.849 939 HB3 ALA 41 HB3 ALA 41 -1.217 3.887 -1.692 940 H SER 42 HN SER 42 1.006 6.842 -1.865 941 HA SER 42 HA SER 42 -0.987 8.097 -3.362 942 HG SER 42 HG SER 42 0.022 10.446 -3.929 943 HB2 SER 42 HB2 SER 42 0.219 9.141 -1.450 944 HB3 SER 42 HB1 SER 42 1.654 9.284 -2.464 945 H ASN 43 HN ASN 43 2.430 7.510 -4.097 946 HA ASN 43 HA ASN 43 2.574 8.853 -6.547 947 HB2 ASN 43 HB2 ASN 43 4.574 8.060 -5.408 948 HB3 ASN 43 HB1 ASN 43 4.063 6.388 -5.611 949 HD21 ASN 43 HD21 ASN 43 5.830 5.761 -6.762 950 HD22 ASN 43 HD22 ASN 43 6.155 6.294 -8.373 951 H LEU 44 HN LEU 44 1.893 5.427 -5.886 952 HA LEU 44 HA LEU 44 1.521 4.619 -8.534 953 HG LEU 44 HG LEU 44 1.782 1.509 -6.582 954 HB2 LEU 44 HB2 LEU 44 0.655 3.551 -5.890 955 HB3 LEU 44 HB1 LEU 44 -0.085 2.885 -7.330 956 HD11 LEU 44 HD11 LEU 44 3.026 1.405 -8.684 957 HD12 LEU 44 HD12 LEU 44 2.357 2.968 -9.154 958 HD13 LEU 44 HD13 LEU 44 1.291 1.577 -8.954 959 HD21 LEU 44 HD21 LEU 44 3.129 3.210 -5.492 960 HD22 LEU 44 HD22 LEU 44 3.477 3.956 -7.052 961 HD23 LEU 44 HD23 LEU 44 4.082 2.338 -6.693 962 H LEU 45 HN LEU 45 -0.844 5.862 -6.195 963 HA LEU 45 HA LEU 45 -3.039 5.347 -7.969 964 HG LEU 45 HG LEU 45 -2.540 4.497 -5.038 965 HB2 LEU 45 HB2 LEU 45 -2.890 6.895 -5.388 966 HB3 LEU 45 HB1 LEU 45 -4.377 6.560 -6.252 967 HD11 LEU 45 HD11 LEU 45 -4.351 4.122 -3.460 968 HD12 LEU 45 HD12 LEU 45 -5.290 5.413 -4.210 969 HD13 LEU 45 HD13 LEU 45 -3.782 5.790 -3.377 970 HD21 LEU 45 HD21 LEU 45 -5.198 4.168 -6.425 971 HD22 LEU 45 HD22 LEU 45 -4.293 2.893 -5.608 972 HD23 LEU 45 HD23 LEU 45 -3.631 3.658 -7.052 973 H THR 46 HN THR 46 -0.803 7.922 -7.754 974 HA THR 46 HA THR 46 -2.720 9.749 -9.013 975 HB THR 46 HB THR 46 -0.819 11.424 -8.825 976 HG1 THR 46 HG1 THR 46 0.241 9.618 -6.916 977 HG21 THR 46 HG21 THR 46 -1.922 10.206 -6.293 978 HG22 THR 46 HG22 THR 46 -2.710 11.430 -7.288 979 HG23 THR 46 HG23 THR 46 -1.216 11.817 -6.432 980 H THR 47 HN THR 47 -0.297 7.548 -9.906 981 HA THR 47 HA THR 47 0.040 8.938 -12.481 982 HB THR 47 HB THR 47 2.349 8.066 -12.606 983 HG1 THR 47 HG1 THR 47 2.194 7.490 -9.831 984 HG21 THR 47 HG21 THR 47 1.967 10.343 -11.807 985 HG22 THR 47 HG22 THR 47 3.340 9.611 -10.976 986 HG23 THR 47 HG23 THR 47 1.783 9.743 -10.158 987 H SER 48 HN SER 48 -0.288 5.821 -10.848 988 HA SER 48 HA SER 48 0.196 4.491 -13.434 989 HG SER 48 HG SER 48 1.997 5.219 -11.507 990 HB2 SER 48 HB2 SER 48 0.608 3.334 -10.676 991 HB3 SER 48 HB1 SER 48 1.125 2.641 -12.214 992 H VAL 49 HN VAL 49 -2.414 5.447 -12.274 993 HA VAL 49 HA VAL 49 -3.789 2.852 -12.491 994 HB VAL 49 HB VAL 49 -5.567 3.671 -11.002 995 HG11 VAL 49 HG11 VAL 49 -2.821 3.772 -9.768 996 HG12 VAL 49 HG12 VAL 49 -3.799 2.328 -10.036 997 HG13 VAL 49 HG13 VAL 49 -4.330 3.554 -8.884 998 HG21 VAL 49 HG21 VAL 49 -3.761 6.050 -10.576 999 HG22 VAL 49 HG22 VAL 49 -5.221 5.696 -9.654 1000 HG23 VAL 49 HG23 VAL 49 -5.333 6.059 -11.376 1001 HA PRO 50 HA PRO 50 -6.323 4.663 -15.712 1002 HB2 PRO 50 HB2 PRO 50 -8.859 3.993 -14.785 1003 HB3 PRO 50 HB1 PRO 50 -7.830 2.947 -15.766 1004 HG2 PRO 50 HG2 PRO 50 -8.265 2.950 -12.814 1005 HG3 PRO 50 HG1 PRO 50 -8.049 1.579 -13.918 1006 HD2 PRO 50 HD2 PRO 50 -6.064 2.425 -12.320 1007 HD3 PRO 50 HD1 PRO 50 -5.742 1.815 -13.959 1008 H GLN 51 HN GLN 51 -6.408 6.821 -15.707 1009 HA GLN 51 HA GLN 51 -6.689 8.365 -13.398 1010 HB2 GLN 51 HB2 GLN 51 -5.472 9.007 -15.471 1011 HB3 GLN 51 HB1 GLN 51 -7.022 9.272 -16.256 1012 HG2 GLN 51 HG2 GLN 51 -7.534 11.092 -14.837 1013 HG3 GLN 51 HG1 GLN 51 -6.182 10.722 -13.765 1014 HE21 GLN 51 HE21 GLN 51 -7.144 12.106 -16.800 1015 HE22 GLN 51 HE22 GLN 51 -5.633 12.871 -17.153 1016 H THR 52 HN THR 52 -9.098 7.202 -15.596 1017 HA THR 52 HA THR 52 -11.098 9.099 -14.686 1018 HB THR 52 HB THR 52 -12.581 7.752 -16.247 1019 HG1 THR 52 HG1 THR 52 -11.589 6.238 -17.538 1020 HG21 THR 52 HG21 THR 52 -10.062 8.975 -17.365 1021 HG22 THR 52 HG22 THR 52 -11.515 9.858 -16.895 1022 HG23 THR 52 HG23 THR 52 -11.565 8.730 -18.252 1023 H GLN 53 HN GLN 53 -10.480 5.625 -14.542 1024 HA GLN 53 HA GLN 53 -12.817 5.212 -12.843 1025 HB2 GLN 53 HB2 GLN 53 -10.848 3.213 -13.985 1026 HB3 GLN 53 HB1 GLN 53 -12.333 2.818 -13.130 1027 HG2 GLN 53 HG2 GLN 53 -13.619 3.928 -14.909 1028 HG3 GLN 53 HG1 GLN 53 -12.115 4.240 -15.773 1029 HE21 GLN 53 HE21 GLN 53 -10.975 1.647 -14.982 1030 HE22 GLN 53 HE22 GLN 53 -11.770 0.463 -15.963 1031 H CYS 54 HN CYS 54 -10.135 6.519 -12.180 1032 HA CYS 54 HA CYS 54 -8.662 4.990 -10.395 1033 HG CYS 54 HG CYS 54 -9.172 9.120 -11.795 1034 HB2 CYS 54 HB2 CYS 54 -8.076 7.243 -9.366 1035 HB3 CYS 54 HB1 CYS 54 -7.787 7.081 -11.097 1036 H GLU 55 HN GLU 55 -11.535 6.954 -9.831 1037 HA GLU 55 HA GLU 55 -11.586 6.783 -7.032 1038 HB2 GLU 55 HB2 GLU 55 -13.883 7.092 -8.973 1039 HB3 GLU 55 HB1 GLU 55 -13.981 7.375 -7.240 1040 HG2 GLU 55 HG2 GLU 55 -12.361 9.180 -7.431 1041 HG3 GLU 55 HG1 GLU 55 -12.233 8.889 -9.166 1042 H ALA 56 HN ALA 56 -12.927 4.692 -9.522 1043 HA ALA 56 HA ALA 56 -14.482 3.069 -7.827 1044 HB1 ALA 56 HB1 ALA 56 -14.550 1.486 -9.684 1045 HB2 ALA 56 HB2 ALA 56 -13.240 2.355 -10.484 1046 HB3 ALA 56 HB3 ALA 56 -14.806 3.135 -10.258 1047 H LEU 57 HN LEU 57 -11.267 2.492 -9.248 1048 HA LEU 57 HA LEU 57 -10.871 0.034 -7.919 1049 HG LEU 57 HG LEU 57 -9.766 -0.956 -9.860 1050 HB2 LEU 57 HB2 LEU 57 -9.047 1.934 -9.343 1051 HB3 LEU 57 HB1 LEU 57 -8.381 0.576 -8.459 1052 HD11 LEU 57 HD11 LEU 57 -10.324 1.524 -11.475 1053 HD12 LEU 57 HD12 LEU 57 -11.502 0.652 -10.495 1054 HD13 LEU 57 HD13 LEU 57 -10.776 -0.128 -11.900 1055 HD21 LEU 57 HD21 LEU 57 -8.369 -0.752 -11.856 1056 HD22 LEU 57 HD22 LEU 57 -7.426 -0.547 -10.380 1057 HD23 LEU 57 HD23 LEU 57 -7.874 0.860 -11.345 1058 H ALA 58 HN ALA 58 -9.925 3.343 -7.103 1059 HA ALA 58 HA ALA 58 -8.206 2.762 -4.976 1060 HB1 ALA 58 HB1 ALA 58 -8.407 4.984 -5.996 1061 HB2 ALA 58 HB2 ALA 58 -8.582 5.048 -4.243 1062 HB3 ALA 58 HB3 ALA 58 -10.007 5.164 -5.277 1063 H GLN 59 HN GLN 59 -11.721 3.409 -4.946 1064 HA GLN 59 HA GLN 59 -11.829 2.963 -2.104 1065 HB2 GLN 59 HB2 GLN 59 -14.011 3.426 -4.133 1066 HB3 GLN 59 HB1 GLN 59 -14.297 3.237 -2.407 1067 HG2 GLN 59 HG2 GLN 59 -12.681 5.165 -2.087 1068 HG3 GLN 59 HG1 GLN 59 -12.829 5.434 -3.824 1069 HE21 GLN 59 HE21 GLN 59 -14.447 5.535 -0.756 1070 HE22 GLN 59 HE22 GLN 59 -15.802 6.482 -1.267 1071 H ALA 60 HN ALA 60 -12.348 1.050 -4.981 1072 HA ALA 60 HA ALA 60 -13.674 -1.124 -3.769 1073 HB1 ALA 60 HB1 ALA 60 -13.474 -0.916 -6.194 1074 HB2 ALA 60 HB2 ALA 60 -12.831 -2.462 -5.639 1075 HB3 ALA 60 HB3 ALA 60 -11.730 -1.157 -6.079 1076 H PHE 61 HN PHE 61 -10.232 -0.418 -4.242 1077 HA PHE 61 HA PHE 61 -9.215 -2.669 -2.901 1078 HD1 PHE 61 HD1 PHE 61 -6.887 -3.455 -3.216 1079 HD2 PHE 61 HD2 PHE 61 -6.297 0.493 -1.744 1080 HE1 PHE 61 HE1 PHE 61 -4.870 -4.203 -2.025 1081 HE2 PHE 61 HE2 PHE 61 -4.280 -0.249 -0.548 1082 HZ PHE 61 HZ PHE 61 -3.562 -2.599 -0.688 1083 HB2 PHE 61 HB2 PHE 61 -7.832 -1.231 -4.335 1084 HB3 PHE 61 HB1 PHE 61 -8.021 0.100 -3.200 1085 H SER 62 HN SER 62 -10.109 0.558 -1.761 1086 HA SER 62 HA SER 62 -9.239 0.326 0.877 1087 HG SER 62 HG SER 62 -9.565 2.421 -1.151 1088 HB2 SER 62 HB2 SER 62 -11.605 1.882 -0.192 1089 HB3 SER 62 HB1 SER 62 -10.844 2.131 1.378 1090 H ASN 63 HN ASN 63 -12.550 -0.197 -0.374 1091 HA ASN 63 HA ASN 63 -13.628 -1.125 2.038 1092 HB2 ASN 63 HB2 ASN 63 -14.471 -1.502 -0.824 1093 HB3 ASN 63 HB1 ASN 63 -15.362 -2.244 0.501 1094 HD21 ASN 63 HD21 ASN 63 -14.512 0.728 -1.074 1095 HD22 ASN 63 HD22 ASN 63 -15.656 1.734 -0.243 1096 H SER 64 HN SER 64 -11.921 -2.833 -0.522 1097 HA SER 64 HA SER 64 -12.405 -5.450 0.379 1098 HG SER 64 HG SER 64 -11.745 -4.174 -2.387 1099 HB2 SER 64 HB2 SER 64 -10.006 -4.305 -1.064 1100 HB3 SER 64 HB1 SER 64 -10.296 -6.029 -0.827 1101 H LEU 65 HN LEU 65 -9.907 -3.084 1.247 1102 HA LEU 65 HA LEU 65 -8.497 -4.718 3.055 1103 HG LEU 65 HG LEU 65 -7.710 -2.462 1.021 1104 HB2 LEU 65 HB2 LEU 65 -8.861 -1.721 3.061 1105 HB3 LEU 65 HB1 LEU 65 -7.695 -2.587 4.037 1106 HD11 LEU 65 HD11 LEU 65 -5.662 -1.138 1.321 1107 HD12 LEU 65 HD12 LEU 65 -5.910 -1.168 3.066 1108 HD13 LEU 65 HD13 LEU 65 -7.073 -0.347 2.025 1109 HD21 LEU 65 HD21 LEU 65 -5.552 -3.592 1.171 1110 HD22 LEU 65 HD22 LEU 65 -6.839 -4.588 1.850 1111 HD23 LEU 65 HD23 LEU 65 -5.735 -3.724 2.920 1112 H ILE 66 HN ILE 66 -11.187 -2.450 3.533 1113 HA ILE 66 HA ILE 66 -11.388 -2.633 6.314 1114 HB ILE 66 HB ILE 66 -13.808 -2.377 4.534 1115 HG12 ILE 66 HG12 ILE 66 -12.143 -0.868 3.598 1116 HG13 ILE 66 HG11 ILE 66 -13.368 0.060 4.448 1117 HG21 ILE 66 HG21 ILE 66 -14.583 -0.885 6.329 1118 HG22 ILE 66 HG22 ILE 66 -13.087 -1.187 7.211 1119 HG23 ILE 66 HG23 ILE 66 -14.225 -2.506 6.924 1120 HD11 ILE 66 HD11 ILE 66 -10.627 -0.616 5.472 1121 HD12 ILE 66 HD12 ILE 66 -11.855 0.300 6.346 1122 HD13 ILE 66 HD13 ILE 66 -11.166 0.947 4.858 1123 H ASN 67 HN ASN 67 -13.058 -4.495 3.791 1124 HA ASN 67 HA ASN 67 -14.451 -6.216 5.536 1125 HB2 ASN 67 HB2 ASN 67 -15.152 -6.018 3.235 1126 HB3 ASN 67 HB1 ASN 67 -13.587 -6.583 2.660 1127 HD21 ASN 67 HD21 ASN 67 -13.178 -8.741 2.567 1128 HD22 ASN 67 HD22 ASN 67 -14.348 -9.956 2.932 1129 H ALA 68 HN ALA 68 -11.294 -6.478 3.978 1130 HA ALA 68 HA ALA 68 -10.691 -9.115 4.700 1131 HB1 ALA 68 HB1 ALA 68 -9.412 -7.814 3.047 1132 HB2 ALA 68 HB2 ALA 68 -8.376 -8.542 4.275 1133 HB3 ALA 68 HB3 ALA 68 -8.762 -6.822 4.354 1134 H VAL 69 HN VAL 69 -9.847 -6.063 6.327 1135 HA VAL 69 HA VAL 69 -8.546 -7.253 8.524 1136 HB VAL 69 HB VAL 69 -9.951 -4.576 8.407 1137 HG11 VAL 69 HG11 VAL 69 -9.524 -5.318 10.698 1138 HG12 VAL 69 HG12 VAL 69 -8.496 -3.952 10.265 1139 HG13 VAL 69 HG13 VAL 69 -7.829 -5.585 10.300 1140 HG21 VAL 69 HG21 VAL 69 -8.251 -4.772 6.684 1141 HG22 VAL 69 HG22 VAL 69 -7.072 -5.309 7.881 1142 HG23 VAL 69 HG23 VAL 69 -7.715 -3.667 7.951 1143 H LYS 70 HN LYS 70 -11.884 -6.115 8.106 1144 HA LYS 70 HA LYS 70 -12.823 -6.648 10.676 1145 HB2 LYS 70 HB2 LYS 70 -14.075 -5.336 9.036 1146 HB3 LYS 70 HB1 LYS 70 -14.322 -6.770 8.053 1147 HG2 LYS 70 HG2 LYS 70 -15.662 -7.768 9.827 1148 HG3 LYS 70 HG1 LYS 70 -15.390 -6.348 10.837 1149 HD2 LYS 70 HD2 LYS 70 -16.731 -6.280 8.136 1150 HD3 LYS 70 HD1 LYS 70 -17.596 -6.363 9.672 1151 HE2 LYS 70 HE2 LYS 70 -16.605 -4.239 10.353 1152 HE3 LYS 70 HE1 LYS 70 -15.702 -4.164 8.840 1153 HZ1 LYS 70 HZ1 LYS 70 -17.640 -3.806 7.617 1154 HZ2 LYS 70 HZ2 LYS 70 -17.872 -2.856 9.004 1155 HZ3 LYS 70 HZ3 LYS 70 -18.652 -4.352 8.860 1156 H THR 71 HN THR 71 -12.485 -8.796 7.899 1157 HA THR 71 HA THR 71 -13.891 -10.970 9.134 1158 HB THR 71 HB THR 71 -12.042 -11.025 6.738 1159 HG1 THR 71 HG1 THR 71 -13.781 -9.655 6.324 1160 HG21 THR 71 HG21 THR 71 -13.264 -13.072 6.139 1161 HG22 THR 71 HG22 THR 71 -14.174 -12.964 7.646 1162 HG23 THR 71 HG23 THR 71 -12.433 -13.243 7.687 1163 H ARG 72 HN ARG 72 -10.488 -10.070 8.732 1164 HA ARG 72 HA ARG 72 -9.416 -12.500 9.711 1165 HE ARG 72 HE ARG 72 -7.412 -13.322 6.337 1166 HB2 ARG 72 HB2 ARG 72 -8.353 -9.795 9.154 1167 HB3 ARG 72 HB1 ARG 72 -7.451 -10.753 10.321 1168 HG2 ARG 72 HG2 ARG 72 -6.523 -11.057 8.119 1169 HG3 ARG 72 HG1 ARG 72 -7.264 -12.562 8.664 1170 HD2 ARG 72 HD2 ARG 72 -9.296 -11.941 7.354 1171 HD3 ARG 72 HD1 ARG 72 -8.396 -10.570 6.710 1172 HH11 ARG 72 HH11 ARG 72 -8.501 -10.275 5.011 1173 HH12 ARG 72 HH12 ARG 72 -8.093 -10.690 3.373 1174 HH21 ARG 72 HH21 ARG 72 -6.875 -13.876 4.201 1175 HH22 ARG 72 HH22 ARG 72 -7.160 -12.743 2.913 1176 H LEU 73 HN LEU 73 -10.107 -9.404 11.323 1177 HA LEU 73 HA LEU 73 -9.321 -10.394 13.893 1178 HG LEU 73 HG LEU 73 -8.236 -8.301 14.554 1179 HB2 LEU 73 HB2 LEU 73 -10.764 -7.946 12.943 1180 HB3 LEU 73 HB1 LEU 73 -10.730 -8.336 14.650 1181 HD11 LEU 73 HD11 LEU 73 -7.134 -7.272 12.656 1182 HD12 LEU 73 HD12 LEU 73 -8.671 -7.151 11.802 1183 HD13 LEU 73 HD13 LEU 73 -7.980 -8.736 12.153 1184 HD21 LEU 73 HD21 LEU 73 -8.074 -5.860 14.462 1185 HD22 LEU 73 HD22 LEU 73 -9.495 -6.395 15.360 1186 HD23 LEU 73 HD23 LEU 73 -9.669 -5.789 13.712 1187 H GLU 74 HN GLU 74 -12.367 -9.945 12.197 1188 HA GLU 74 HA GLU 74 -14.422 -10.850 12.431 1189 HB2 GLU 74 HB2 GLU 74 -12.935 -12.938 12.545 1190 HB3 GLU 74 HB1 GLU 74 -13.221 -12.900 14.279 1191 HG2 GLU 74 HG2 GLU 74 -15.620 -13.091 13.893 1192 HG3 GLU 74 HG1 GLU 74 -15.339 -13.120 12.153 1193 H HIS 75 HN HIS 75 -13.170 -9.002 14.562 1194 HA HIS 75 HA HIS 75 -14.486 -9.644 17.008 1195 HD1 HIS 75 HD1 HIS 75 -11.608 -8.751 18.633 1196 HD2 HIS 75 HD2 HIS 75 -15.172 -6.636 18.979 1197 HE1 HIS 75 HE1 HIS 75 -11.937 -8.370 21.101 1198 HE2 HIS 75 HE2 HIS 75 -14.168 -7.215 21.296 1199 HB2 HIS 75 HB2 HIS 75 -12.479 -7.958 16.422 1200 HB3 HIS 75 HB1 HIS 75 -13.813 -6.810 16.431 1201 H HIS 76 HN HIS 76 -15.126 -7.178 14.512 1202 HA HIS 76 HA HIS 76 -17.873 -6.918 15.382 1203 HD1 HIS 76 HD1 HIS 76 -15.466 -3.439 13.561 1204 HD2 HIS 76 HD2 HIS 76 -18.329 -4.716 16.310 1205 HE1 HIS 76 HE1 HIS 76 -15.552 -1.663 15.340 1206 HE2 HIS 76 HE2 HIS 76 -17.364 -2.400 16.934 1207 HB2 HIS 76 HB2 HIS 76 -16.313 -5.749 13.075 1208 HB3 HIS 76 HB1 HIS 76 -18.058 -5.562 13.198 1209 H HIS 77 HN HIS 77 -18.945 -8.833 15.110 1210 HA HIS 77 HA HIS 77 -18.380 -10.457 12.767 1211 HD1 HIS 77 HD1 HIS 77 -21.509 -12.927 13.276 1212 HD2 HIS 77 HD2 HIS 77 -17.390 -13.280 13.746 1213 HE1 HIS 77 HE1 HIS 77 -20.892 -15.134 12.239 1214 HE2 HIS 77 HE2 HIS 77 -18.373 -15.223 12.351 1215 HB2 HIS 77 HB2 HIS 77 -18.790 -11.285 15.208 1216 HB3 HIS 77 HB1 HIS 77 -20.495 -11.127 14.792 1217 H HIS 78 HN HIS 78 -19.557 -7.988 12.180 1218 HA HIS 78 HA HIS 78 -22.333 -8.537 11.483 1219 HD1 HIS 78 HD1 HIS 78 -24.100 -6.370 12.359 1220 HD2 HIS 78 HD2 HIS 78 -22.414 -5.229 8.730 1221 HE1 HIS 78 HE1 HIS 78 -25.973 -5.354 11.025 1222 HE2 HIS 78 HE2 HIS 78 -24.873 -4.460 8.940 1223 HB2 HIS 78 HB2 HIS 78 -21.440 -6.265 12.292 1224 HB3 HIS 78 HB1 HIS 78 -20.712 -6.108 10.699 1225 H HIS 79 HN HIS 79 -20.275 -10.192 10.445 1226 HA HIS 79 HA HIS 79 -20.861 -10.003 7.621 1227 HD1 HIS 79 HD1 HIS 79 -16.960 -11.755 7.058 1228 HD2 HIS 79 HD2 HIS 79 -19.368 -9.003 5.069 1229 HE1 HIS 79 HE1 HIS 79 -16.574 -12.157 4.607 1230 HE2 HIS 79 HE2 HIS 79 -18.158 -10.592 3.423 1231 HB2 HIS 79 HB2 HIS 79 -18.778 -8.663 7.874 1232 HB3 HIS 79 HB1 HIS 79 -17.992 -10.055 8.611 1233 H HIS 80 HN HIS 80 -20.913 -12.030 6.691 1234 HA HIS 80 HA HIS 80 -20.476 -14.270 8.522 1235 HD1 HIS 80 HD1 HIS 80 -22.360 -16.409 8.903 1236 HD2 HIS 80 HD2 HIS 80 -21.593 -16.624 4.816 1237 HE1 HIS 80 HE1 HIS 80 -22.417 -18.856 8.324 1238 HE2 HIS 80 HE2 HIS 80 -22.133 -18.947 5.820 1239 HB2 HIS 80 HB2 HIS 80 -22.691 -14.125 7.480 1240 HB3 HIS 80 HB1 HIS 80 -21.957 -14.136 5.882 Start of MODEL 7 1 HA MET 1 HA MET 1 23.189 9.449 22.168 2 H1 MET 1 HT1 MET 1 22.128 11.564 21.978 3 H2 MET 1 HT2 MET 1 21.004 10.956 20.861 4 H3 MET 1 HT3 MET 1 22.641 11.056 20.444 5 HB2 MET 1 HB2 MET 1 20.181 9.285 22.441 6 HB3 MET 1 HB1 MET 1 21.313 8.142 23.154 7 HG2 MET 1 HG2 MET 1 22.248 9.854 24.545 8 HG3 MET 1 HG1 MET 1 21.268 11.089 23.755 9 HE1 MET 1 HE1 MET 1 20.432 11.938 26.151 10 HE2 MET 1 HE2 MET 1 21.435 10.702 26.910 11 HE3 MET 1 HE3 MET 1 19.740 10.868 27.368 12 H ALA 2 HN ALA 2 20.092 8.510 20.699 13 HA ALA 2 HA ALA 2 21.587 7.107 18.595 14 HB1 ALA 2 HB1 ALA 2 19.389 5.875 20.254 15 HB2 ALA 2 HB2 ALA 2 21.098 5.447 20.308 16 HB3 ALA 2 HB3 ALA 2 20.155 5.130 18.851 17 H GLN 3 HN GLN 3 20.910 8.868 17.283 18 HA GLN 3 HA GLN 3 18.047 9.202 16.875 19 HB2 GLN 3 HB2 GLN 3 18.982 11.015 15.216 20 HB3 GLN 3 HB1 GLN 3 18.938 11.302 16.947 21 HG2 GLN 3 HG2 GLN 3 21.045 11.987 16.539 22 HG3 GLN 3 HG1 GLN 3 21.375 10.278 16.799 23 HE21 GLN 3 HE21 GLN 3 23.222 10.302 15.577 24 HE22 GLN 3 HE22 GLN 3 23.206 10.445 13.850 25 H HIS 4 HN HIS 4 18.797 6.756 16.133 26 HA HIS 4 HA HIS 4 19.465 6.328 13.443 27 HD1 HIS 4 HD1 HIS 4 20.194 2.590 14.257 28 HD2 HIS 4 HD2 HIS 4 17.006 4.113 12.053 29 HE1 HIS 4 HE1 HIS 4 19.936 1.054 12.285 30 HE2 HIS 4 HE2 HIS 4 18.029 2.003 10.938 31 HB2 HIS 4 HB2 HIS 4 19.257 4.600 15.304 32 HB3 HIS 4 HB1 HIS 4 17.517 4.677 15.074 33 H SER 5 HN SER 5 16.290 6.626 14.999 34 HA SER 5 HA SER 5 15.151 7.299 12.379 35 HG SER 5 HG SER 5 13.315 6.265 15.619 36 HB2 SER 5 HB2 SER 5 12.945 6.670 13.572 37 HB3 SER 5 HB1 SER 5 14.035 5.361 13.111 38 H LYS 6 HN LYS 6 15.878 9.478 12.655 39 HA LYS 6 HA LYS 6 14.716 10.988 14.856 40 HB2 LYS 6 HB2 LYS 6 16.039 12.898 13.823 41 HB3 LYS 6 HB1 LYS 6 16.970 11.570 14.495 42 HG2 LYS 6 HG2 LYS 6 17.396 10.687 12.293 43 HG3 LYS 6 HG1 LYS 6 16.341 11.905 11.568 44 HD2 LYS 6 HD2 LYS 6 17.818 13.674 12.226 45 HD3 LYS 6 HD1 LYS 6 18.801 12.564 13.179 46 HE2 LYS 6 HE2 LYS 6 18.450 12.329 10.195 47 HE3 LYS 6 HE1 LYS 6 19.765 13.227 10.950 48 HZ1 LYS 6 HZ1 LYS 6 20.577 11.082 10.454 49 HZ2 LYS 6 HZ2 LYS 6 19.231 10.311 11.128 50 HZ3 LYS 6 HZ3 LYS 6 20.341 11.113 12.130 51 H TYR 7 HN TYR 7 13.666 9.973 11.973 52 HA TYR 7 HA TYR 7 11.887 10.462 10.665 53 HD1 TYR 7 HD2 TYR 7 9.309 9.670 11.432 54 HD2 TYR 7 HD1 TYR 7 9.700 13.902 11.266 55 HE1 TYR 7 HE2 TYR 7 7.170 9.812 10.237 56 HE2 TYR 7 HE1 TYR 7 7.556 14.056 10.070 57 HH TYR 7 HH TYR 7 5.385 11.461 9.880 58 HB2 TYR 7 HB2 TYR 7 10.851 10.907 12.943 59 HB3 TYR 7 HB1 TYR 7 11.162 12.615 12.655 60 H SER 8 HN SER 8 13.155 11.206 8.971 61 HA SER 8 HA SER 8 13.301 14.118 8.704 62 HG SER 8 HG SER 8 15.015 13.252 10.136 63 HB2 SER 8 HB2 SER 8 15.336 12.135 7.701 64 HB3 SER 8 HB1 SER 8 15.440 13.891 7.595 65 H ASP 9 HN ASP 9 12.745 15.003 6.770 66 HA ASP 9 HA ASP 9 11.251 13.636 4.843 67 HB2 ASP 9 HB2 ASP 9 13.004 16.080 4.443 68 HB3 ASP 9 HB1 ASP 9 11.730 15.544 3.355 69 H ALA 10 HN ALA 10 14.671 14.193 5.243 70 HA ALA 10 HA ALA 10 15.575 13.145 2.787 71 HB1 ALA 10 HB1 ALA 10 16.991 13.176 5.453 72 HB2 ALA 10 HB2 ALA 10 16.993 14.487 4.274 73 HB3 ALA 10 HB3 ALA 10 17.746 12.943 3.874 74 H GLN 11 HN GLN 11 14.833 11.640 5.925 75 HA GLN 11 HA GLN 11 15.834 9.071 5.160 76 HB2 GLN 11 HB2 GLN 11 13.843 9.840 7.303 77 HB3 GLN 11 HB1 GLN 11 14.470 8.215 7.082 78 HG2 GLN 11 HG2 GLN 11 16.772 9.189 7.406 79 HG3 GLN 11 HG1 GLN 11 15.972 10.676 7.911 80 HE21 GLN 11 HE21 GLN 11 16.702 7.394 8.727 81 HE22 GLN 11 HE22 GLN 11 16.180 7.471 10.374 82 H LEU 12 HN LEU 12 12.601 10.520 5.220 83 HA LEU 12 HA LEU 12 11.200 8.284 4.280 84 HG LEU 12 HG LEU 12 9.180 9.775 2.426 85 HB2 LEU 12 HB2 LEU 12 10.081 10.221 5.275 86 HB3 LEU 12 HB1 LEU 12 10.554 11.212 3.907 87 HD11 LEU 12 HD11 LEU 12 8.308 8.500 5.013 88 HD12 LEU 12 HD12 LEU 12 9.245 7.729 3.731 89 HD13 LEU 12 HD13 LEU 12 7.579 8.223 3.431 90 HD21 LEU 12 HD21 LEU 12 6.988 10.566 3.219 91 HD22 LEU 12 HD22 LEU 12 8.228 11.824 3.280 92 HD23 LEU 12 HD23 LEU 12 7.729 11.008 4.762 93 H SER 13 HN SER 13 12.302 11.144 2.445 94 HA SER 13 HA SER 13 11.401 10.288 -0.044 95 HG SER 13 HG SER 13 12.158 13.072 1.494 96 HB2 SER 13 HB2 SER 13 13.792 12.052 0.515 97 HB3 SER 13 HB1 SER 13 12.877 11.978 -0.990 98 H ALA 14 HN ALA 14 14.496 9.687 1.564 99 HA ALA 14 HA ALA 14 15.831 8.524 -0.613 100 HB1 ALA 14 HB1 ALA 14 16.168 7.864 2.309 101 HB2 ALA 14 HB2 ALA 14 16.960 9.192 1.465 102 HB3 ALA 14 HB3 ALA 14 17.322 7.523 1.021 103 H ILE 15 HN ILE 15 13.732 7.098 1.872 104 HA ILE 15 HA ILE 15 14.081 4.424 0.976 105 HB ILE 15 HB ILE 15 11.902 5.661 2.660 106 HG12 ILE 15 HG12 ILE 15 14.310 3.976 3.382 107 HG13 ILE 15 HG11 ILE 15 14.144 5.706 3.657 108 HG21 ILE 15 HG21 ILE 15 12.448 2.741 2.142 109 HG22 ILE 15 HG22 ILE 15 11.056 3.655 1.563 110 HG23 ILE 15 HG23 ILE 15 11.276 3.384 3.293 111 HD11 ILE 15 HD11 ILE 15 13.767 4.473 5.702 112 HD12 ILE 15 HD12 ILE 15 12.489 3.536 4.928 113 HD13 ILE 15 HD13 ILE 15 12.280 5.269 5.185 114 H VAL 16 HN VAL 16 11.484 6.825 0.421 115 HA VAL 16 HA VAL 16 9.847 5.067 -1.071 116 HB VAL 16 HB VAL 16 9.799 7.997 -1.673 117 HG11 VAL 16 HG11 VAL 16 7.621 5.978 -1.170 118 HG12 VAL 16 HG12 VAL 16 8.229 6.449 -2.759 119 HG13 VAL 16 HG13 VAL 16 7.404 7.633 -1.741 120 HG21 VAL 16 HG21 VAL 16 8.505 8.448 0.340 121 HG22 VAL 16 HG22 VAL 16 10.135 7.907 0.744 122 HG23 VAL 16 HG23 VAL 16 8.773 6.795 0.892 123 H ASN 17 HN ASN 17 12.268 7.466 -2.062 124 HA ASN 17 HA ASN 17 11.871 7.153 -4.850 125 HB2 ASN 17 HB2 ASN 17 12.970 9.125 -3.845 126 HB3 ASN 17 HB1 ASN 17 14.330 8.118 -3.368 127 HD21 ASN 17 HD21 ASN 17 15.784 9.326 -4.543 128 HD22 ASN 17 HD22 ASN 17 15.857 9.282 -6.274 129 H ASP 18 HN ASP 18 13.927 5.517 -2.514 130 HA ASP 18 HA ASP 18 15.479 4.100 -4.444 131 HB2 ASP 18 HB2 ASP 18 16.052 4.534 -1.968 132 HB3 ASP 18 HB1 ASP 18 14.991 3.173 -1.617 133 H MET 19 HN MET 19 12.551 3.447 -2.604 134 HA MET 19 HA MET 19 12.187 0.768 -3.364 135 HB2 MET 19 HB2 MET 19 10.927 1.830 -1.545 136 HB3 MET 19 HB1 MET 19 10.105 2.861 -2.709 137 HG2 MET 19 HG2 MET 19 8.692 1.014 -2.010 138 HG3 MET 19 HG1 MET 19 9.065 0.912 -3.729 139 HE1 MET 19 HE1 MET 19 11.344 -0.037 -0.637 140 HE2 MET 19 HE2 MET 19 10.972 -1.753 -0.475 141 HE3 MET 19 HE3 MET 19 9.726 -0.549 -0.162 142 H ILE 20 HN ILE 20 10.994 3.783 -4.836 143 HA ILE 20 HA ILE 20 9.661 2.582 -7.007 144 HB ILE 20 HB ILE 20 10.980 5.302 -6.868 145 HG12 ILE 20 HG12 ILE 20 8.101 4.472 -6.424 146 HG13 ILE 20 HG11 ILE 20 9.238 4.896 -5.150 147 HG21 ILE 20 HG21 ILE 20 9.487 5.911 -8.714 148 HG22 ILE 20 HG22 ILE 20 8.906 4.249 -8.795 149 HG23 ILE 20 HG23 ILE 20 10.589 4.615 -9.179 150 HD11 ILE 20 HD11 ILE 20 9.396 7.161 -6.055 151 HD12 ILE 20 HD12 ILE 20 7.738 6.735 -5.633 152 HD13 ILE 20 HD13 ILE 20 8.246 6.729 -7.321 153 H ALA 21 HN ALA 21 13.005 3.598 -6.554 154 HA ALA 21 HA ALA 21 13.889 3.139 -9.192 155 HB1 ALA 21 HB1 ALA 21 15.168 4.464 -7.587 156 HB2 ALA 21 HB2 ALA 21 16.137 3.146 -8.248 157 HB3 ALA 21 HB3 ALA 21 15.465 3.016 -6.622 158 H VAL 22 HN VAL 22 14.119 1.065 -6.274 159 HA VAL 22 HA VAL 22 15.266 -1.110 -7.687 160 HB VAL 22 HB VAL 22 14.820 -2.476 -5.717 161 HG11 VAL 22 HG11 VAL 22 16.768 -1.022 -5.719 162 HG12 VAL 22 HG12 VAL 22 16.108 -1.183 -4.091 163 HG13 VAL 22 HG13 VAL 22 15.809 0.286 -5.022 164 HG21 VAL 22 HG21 VAL 22 13.697 -1.539 -3.747 165 HG22 VAL 22 HG22 VAL 22 12.605 -1.655 -5.126 166 HG23 VAL 22 HG23 VAL 22 13.288 -0.094 -4.673 167 H LEU 23 HN LEU 23 11.994 -0.063 -7.205 168 HA LEU 23 HA LEU 23 10.667 -2.452 -7.917 169 HG LEU 23 HG LEU 23 8.370 -1.208 -9.599 170 HB2 LEU 23 HB2 LEU 23 9.543 -0.497 -6.908 171 HB3 LEU 23 HB1 LEU 23 9.809 0.408 -8.384 172 HD11 LEU 23 HD11 LEU 23 6.987 -2.762 -8.334 173 HD12 LEU 23 HD12 LEU 23 7.816 -2.307 -6.846 174 HD13 LEU 23 HD13 LEU 23 8.698 -3.135 -8.129 175 HD21 LEU 23 HD21 LEU 23 6.251 -0.419 -8.656 176 HD22 LEU 23 HD22 LEU 23 7.439 0.880 -8.758 177 HD23 LEU 23 HD23 LEU 23 7.099 0.117 -7.206 178 H GLU 24 HN GLU 24 12.015 0.197 -9.800 179 HA GLU 24 HA GLU 24 11.093 -0.641 -12.339 180 HB2 GLU 24 HB2 GLU 24 12.131 1.617 -11.596 181 HB3 GLU 24 HB1 GLU 24 13.678 0.840 -11.887 182 HG2 GLU 24 HG2 GLU 24 11.510 1.110 -13.958 183 HG3 GLU 24 HG1 GLU 24 12.834 2.252 -13.758 184 H LYS 25 HN LYS 25 14.073 -1.291 -10.520 185 HA LYS 25 HA LYS 25 15.213 -2.860 -12.631 186 HB2 LYS 25 HB2 LYS 25 15.996 -2.350 -9.775 187 HB3 LYS 25 HB1 LYS 25 16.832 -3.559 -10.738 188 HG2 LYS 25 HG2 LYS 25 18.084 -1.528 -10.841 189 HG3 LYS 25 HG1 LYS 25 17.335 -1.793 -12.418 190 HD2 LYS 25 HD2 LYS 25 15.486 -0.249 -11.657 191 HD3 LYS 25 HD1 LYS 25 16.500 0.142 -10.267 192 HE2 LYS 25 HE2 LYS 25 16.820 1.822 -11.940 193 HE3 LYS 25 HE1 LYS 25 18.284 0.846 -11.837 194 HZ1 LYS 25 HZ1 LYS 25 17.602 -0.352 -13.808 195 HZ2 LYS 25 HZ2 LYS 25 17.638 1.312 -14.130 196 HZ3 LYS 25 HZ3 LYS 25 16.151 0.528 -13.888 197 H HIS 26 HN HIS 26 13.098 -3.508 -9.966 198 HA HIS 26 HA HIS 26 13.318 -6.373 -10.148 199 HD1 HIS 26 HD1 HIS 26 14.516 -5.423 -8.291 200 HD2 HIS 26 HD2 HIS 26 11.019 -6.134 -6.149 201 HE1 HIS 26 HE1 HIS 26 15.241 -5.872 -5.930 202 HE2 HIS 26 HE2 HIS 26 13.132 -6.473 -4.686 203 HB2 HIS 26 HB2 HIS 26 11.307 -4.508 -8.899 204 HB3 HIS 26 HB1 HIS 26 10.987 -6.230 -9.015 205 H LYS 27 HN LYS 27 11.465 -3.844 -11.631 206 HA LYS 27 HA LYS 27 9.902 -3.717 -13.217 207 HB2 LYS 27 HB2 LYS 27 11.516 -6.038 -14.154 208 HB3 LYS 27 HB1 LYS 27 10.024 -5.632 -15.001 209 HG2 LYS 27 HG2 LYS 27 10.833 -3.365 -15.364 210 HG3 LYS 27 HG1 LYS 27 12.316 -3.747 -14.490 211 HD2 LYS 27 HD2 LYS 27 12.937 -5.362 -16.170 212 HD3 LYS 27 HD1 LYS 27 11.403 -5.118 -17.013 213 HE2 LYS 27 HE2 LYS 27 13.272 -3.898 -18.069 214 HE3 LYS 27 HE1 LYS 27 11.988 -2.829 -17.506 215 HZ1 LYS 27 HZ1 LYS 27 14.187 -1.968 -16.967 216 HZ2 LYS 27 HZ2 LYS 27 14.541 -3.364 -16.078 217 HZ3 LYS 27 HZ3 LYS 27 13.315 -2.309 -15.555 218 H ALA 28 HN ALA 28 8.422 -4.038 -11.481 219 HA ALA 28 HA ALA 28 6.703 -6.363 -12.034 220 HB1 ALA 28 HB1 ALA 28 7.532 -6.387 -9.729 221 HB2 ALA 28 HB2 ALA 28 5.791 -6.108 -9.774 222 HB3 ALA 28 HB3 ALA 28 6.894 -4.763 -9.477 223 HA PRO 29 HA PRO 29 4.417 -2.928 -13.868 224 HB2 PRO 29 HB2 PRO 29 2.417 -4.508 -14.883 225 HB3 PRO 29 HB1 PRO 29 3.966 -4.239 -15.690 226 HG2 PRO 29 HG2 PRO 29 3.085 -6.549 -14.006 227 HG3 PRO 29 HG1 PRO 29 4.012 -6.552 -15.519 228 HD2 PRO 29 HD2 PRO 29 5.205 -6.871 -13.130 229 HD3 PRO 29 HD1 PRO 29 5.992 -5.991 -14.455 230 H VAL 30 HN VAL 30 2.197 -2.113 -13.660 231 HA VAL 30 HA VAL 30 1.368 -1.892 -11.045 232 HB VAL 30 HB VAL 30 0.713 -0.285 -12.738 233 HG11 VAL 30 HG11 VAL 30 -1.031 -0.755 -14.375 234 HG12 VAL 30 HG12 VAL 30 -1.093 -2.433 -13.835 235 HG13 VAL 30 HG13 VAL 30 0.365 -1.809 -14.605 236 HG21 VAL 30 HG21 VAL 30 -0.649 -0.391 -10.730 237 HG22 VAL 30 HG22 VAL 30 -1.688 -1.604 -11.481 238 HG23 VAL 30 HG23 VAL 30 -1.637 0.037 -12.127 239 H ASP 31 HN ASP 31 0.442 -4.314 -13.403 240 HA ASP 31 HA ASP 31 -1.758 -5.437 -12.089 241 HB2 ASP 31 HB2 ASP 31 0.344 -6.898 -13.709 242 HB3 ASP 31 HB1 ASP 31 -1.297 -7.449 -13.387 243 H LEU 32 HN LEU 32 1.537 -6.765 -12.142 244 HA LEU 32 HA LEU 32 1.057 -8.575 -10.028 245 HG LEU 32 HG LEU 32 2.331 -8.776 -12.866 246 HB2 LEU 32 HB2 LEU 32 3.668 -7.585 -11.179 247 HB3 LEU 32 HB1 LEU 32 3.506 -8.950 -10.088 248 HD11 LEU 32 HD11 LEU 32 4.755 -8.984 -12.905 249 HD12 LEU 32 HD12 LEU 32 3.995 -10.488 -13.422 250 HD13 LEU 32 HD13 LEU 32 4.671 -10.355 -11.799 251 HD21 LEU 32 HD21 LEU 32 2.391 -11.077 -10.911 252 HD22 LEU 32 HD22 LEU 32 1.752 -11.121 -12.554 253 HD23 LEU 32 HD23 LEU 32 0.967 -10.123 -11.330 254 H SER 33 HN SER 33 2.475 -5.356 -10.158 255 HA SER 33 HA SER 33 3.592 -5.332 -7.571 256 HG SER 33 HG SER 33 4.564 -2.163 -7.928 257 HB2 SER 33 HB2 SER 33 4.133 -3.681 -9.360 258 HB3 SER 33 HB1 SER 33 2.529 -2.975 -9.154 259 H LEU 34 HN LEU 34 0.380 -4.432 -8.779 260 HA LEU 34 HA LEU 34 -0.580 -3.376 -6.338 261 HG LEU 34 HG LEU 34 -3.478 -3.949 -6.448 262 HB2 LEU 34 HB2 LEU 34 -1.593 -3.071 -8.636 263 HB3 LEU 34 HB1 LEU 34 -2.239 -4.694 -8.486 264 HD11 LEU 34 HD11 LEU 34 -2.486 -1.239 -7.306 265 HD12 LEU 34 HD12 LEU 34 -2.095 -2.077 -5.804 266 HD13 LEU 34 HD13 LEU 34 -3.744 -1.529 -6.104 267 HD21 LEU 34 HD21 LEU 34 -4.041 -2.427 -8.990 268 HD22 LEU 34 HD22 LEU 34 -5.188 -2.702 -7.678 269 HD23 LEU 34 HD23 LEU 34 -4.579 -4.065 -8.617 270 H ILE 35 HN ILE 35 -0.620 -6.621 -7.742 271 HA ILE 35 HA ILE 35 -2.212 -7.785 -5.695 272 HB ILE 35 HB ILE 35 -0.179 -9.217 -7.413 273 HG12 ILE 35 HG12 ILE 35 -3.112 -8.711 -7.980 274 HG13 ILE 35 HG11 ILE 35 -1.783 -7.858 -8.758 275 HG21 ILE 35 HG21 ILE 35 -1.011 -10.516 -5.527 276 HG22 ILE 35 HG22 ILE 35 -1.634 -11.154 -7.048 277 HG23 ILE 35 HG23 ILE 35 -2.673 -10.176 -6.010 278 HD11 ILE 35 HD11 ILE 35 -0.999 -9.963 -9.717 279 HD12 ILE 35 HD12 ILE 35 -2.662 -9.610 -10.185 280 HD13 ILE 35 HD13 ILE 35 -2.334 -10.811 -8.937 281 H ALA 36 HN ALA 36 1.289 -7.480 -6.153 282 HA ALA 36 HA ALA 36 2.106 -8.926 -3.894 283 HB1 ALA 36 HB1 ALA 36 4.228 -7.731 -4.122 284 HB2 ALA 36 HB2 ALA 36 3.471 -6.582 -5.228 285 HB3 ALA 36 HB3 ALA 36 3.635 -8.275 -5.691 286 H LEU 37 HN LEU 37 1.535 -5.443 -4.340 287 HA LEU 37 HA LEU 37 1.990 -4.732 -1.642 288 HG LEU 37 HG LEU 37 2.747 -3.463 -4.371 289 HB2 LEU 37 HB2 LEU 37 0.364 -3.343 -3.771 290 HB3 LEU 37 HB1 LEU 37 0.788 -2.635 -2.223 291 HD11 LEU 37 HD11 LEU 37 1.476 -1.494 -5.000 292 HD12 LEU 37 HD12 LEU 37 3.140 -1.060 -4.612 293 HD13 LEU 37 HD13 LEU 37 1.852 -0.736 -3.453 294 HD21 LEU 37 HD21 LEU 37 4.422 -2.362 -2.970 295 HD22 LEU 37 HD22 LEU 37 3.679 -3.725 -2.133 296 HD23 LEU 37 HD23 LEU 37 3.201 -2.076 -1.731 297 H GLY 38 HN GLY 38 -0.808 -5.930 -3.353 298 HA2 GLY 38 HA2 GLY 38 -2.785 -5.353 -1.440 299 HA3 GLY 38 HA1 GLY 38 -2.836 -6.685 -2.589 300 H ASN 39 HN ASN 39 -0.885 -8.350 -1.879 301 HA ASN 39 HA ASN 39 -1.815 -9.605 0.470 302 HB2 ASN 39 HB2 ASN 39 0.754 -9.983 -1.083 303 HB3 ASN 39 HB1 ASN 39 0.253 -11.028 0.241 304 HD21 ASN 39 HD21 ASN 39 0.717 -11.669 -2.556 305 HD22 ASN 39 HD22 ASN 39 -0.757 -12.345 -3.145 306 H MET 40 HN MET 40 0.847 -7.416 -0.145 307 HA MET 40 HA MET 40 2.152 -7.696 2.347 308 HB2 MET 40 HB2 MET 40 3.223 -6.760 0.327 309 HB3 MET 40 HB1 MET 40 2.159 -5.367 0.412 310 HG2 MET 40 HG2 MET 40 3.966 -6.043 2.696 311 HG3 MET 40 HG1 MET 40 4.574 -5.174 1.289 312 HE1 MET 40 HE1 MET 40 4.288 -2.316 3.921 313 HE2 MET 40 HE2 MET 40 5.320 -3.093 2.722 314 HE3 MET 40 HE3 MET 40 4.828 -3.976 4.165 315 H ALA 41 HN ALA 41 -0.218 -5.347 1.138 316 HA ALA 41 HA ALA 41 -0.279 -3.654 3.342 317 HB1 ALA 41 HB1 ALA 41 -2.565 -4.309 1.486 318 HB2 ALA 41 HB2 ALA 41 -1.304 -3.116 1.180 319 HB3 ALA 41 HB3 ALA 41 -2.433 -2.884 2.516 320 H SER 42 HN SER 42 -2.489 -6.379 2.622 321 HA SER 42 HA SER 42 -4.038 -6.093 4.939 322 HG SER 42 HG SER 42 -3.616 -9.582 2.957 323 HB2 SER 42 HB2 SER 42 -4.631 -8.537 4.498 324 HB3 SER 42 HB1 SER 42 -4.920 -7.412 3.168 325 H ASN 43 HN ASN 43 -1.226 -8.167 4.301 326 HA ASN 43 HA ASN 43 -1.107 -9.464 6.768 327 HB2 ASN 43 HB2 ASN 43 0.244 -10.148 4.848 328 HB3 ASN 43 HB1 ASN 43 1.166 -8.652 4.944 329 HD21 ASN 43 HD21 ASN 43 3.103 -9.694 5.230 330 HD22 ASN 43 HD22 ASN 43 3.519 -10.515 6.690 331 H LEU 44 HN LEU 44 0.599 -6.505 5.742 332 HA LEU 44 HA LEU 44 1.847 -6.073 8.231 333 HG LEU 44 HG LEU 44 3.847 -4.086 5.905 334 HB2 LEU 44 HB2 LEU 44 1.444 -4.477 5.765 335 HB3 LEU 44 HB1 LEU 44 1.856 -3.597 7.223 336 HD11 LEU 44 HD11 LEU 44 3.700 -5.663 8.466 337 HD12 LEU 44 HD12 LEU 44 4.076 -3.947 8.310 338 HD13 LEU 44 HD13 LEU 44 5.183 -5.155 7.657 339 HD21 LEU 44 HD21 LEU 44 3.129 -6.983 6.329 340 HD22 LEU 44 HD22 LEU 44 4.639 -6.389 5.639 341 HD23 LEU 44 HD23 LEU 44 3.115 -6.116 4.792 342 H LEU 45 HN LEU 45 -1.175 -4.772 6.878 343 HA LEU 45 HA LEU 45 -1.738 -2.963 8.956 344 HG LEU 45 HG LEU 45 -2.206 -2.803 5.969 345 HB2 LEU 45 HB2 LEU 45 -3.581 -4.498 7.128 346 HB3 LEU 45 HB1 LEU 45 -4.137 -3.268 8.246 347 HD11 LEU 45 HD11 LEU 45 -4.489 -3.280 5.208 348 HD12 LEU 45 HD12 LEU 45 -4.033 -1.601 4.915 349 HD13 LEU 45 HD13 LEU 45 -5.098 -2.003 6.261 350 HD21 LEU 45 HD21 LEU 45 -2.506 -0.435 6.496 351 HD22 LEU 45 HD22 LEU 45 -1.811 -1.310 7.860 352 HD23 LEU 45 HD23 LEU 45 -3.517 -0.867 7.874 353 H THR 46 HN THR 46 -2.065 -6.437 8.817 354 HA THR 46 HA THR 46 -3.608 -6.405 11.290 355 HB THR 46 HB THR 46 -3.711 -8.882 10.996 356 HG1 THR 46 HG1 THR 46 -1.804 -8.414 9.189 357 HG21 THR 46 HG21 THR 46 -5.302 -8.804 9.141 358 HG22 THR 46 HG22 THR 46 -4.669 -7.230 8.658 359 HG23 THR 46 HG23 THR 46 -5.499 -7.410 10.203 360 H THR 47 HN THR 47 -0.532 -5.828 10.969 361 HA THR 47 HA THR 47 0.107 -7.310 13.397 362 HB THR 47 HB THR 47 0.892 -8.759 11.561 363 HG1 THR 47 HG1 THR 47 2.530 -7.664 13.528 364 HG21 THR 47 HG21 THR 47 2.839 -8.089 10.233 365 HG22 THR 47 HG22 THR 47 2.771 -6.476 10.943 366 HG23 THR 47 HG23 THR 47 1.456 -7.043 9.913 367 H SER 48 HN SER 48 0.631 -4.526 11.393 368 HA SER 48 HA SER 48 2.844 -3.646 13.101 369 HG SER 48 HG SER 48 1.252 -3.244 9.832 370 HB2 SER 48 HB2 SER 48 3.103 -1.818 11.421 371 HB3 SER 48 HB1 SER 48 3.252 -3.434 10.728 372 H VAL 49 HN VAL 49 -0.394 -2.675 12.107 373 HA VAL 49 HA VAL 49 -0.316 -0.196 13.542 374 HB VAL 49 HB VAL 49 -2.550 0.148 12.796 375 HG11 VAL 49 HG11 VAL 49 -1.053 -1.381 10.682 376 HG12 VAL 49 HG12 VAL 49 -0.900 0.338 11.041 377 HG13 VAL 49 HG13 VAL 49 -2.412 -0.296 10.388 378 HG21 VAL 49 HG21 VAL 49 -3.498 -1.990 13.470 379 HG22 VAL 49 HG22 VAL 49 -2.678 -2.782 12.123 380 HG23 VAL 49 HG23 VAL 49 -3.941 -1.593 11.811 381 HA PRO 50 HA PRO 50 -1.908 -1.148 17.578 382 HB2 PRO 50 HB2 PRO 50 -4.473 0.236 16.975 383 HB3 PRO 50 HB1 PRO 50 -3.337 0.493 18.303 384 HG2 PRO 50 HG2 PRO 50 -3.457 2.210 16.279 385 HG3 PRO 50 HG1 PRO 50 -1.900 1.767 17.003 386 HD2 PRO 50 HD2 PRO 50 -3.123 0.865 14.429 387 HD3 PRO 50 HD1 PRO 50 -1.426 1.227 14.807 388 H GLN 51 HN GLN 51 -3.772 -2.055 14.858 389 HA GLN 51 HA GLN 51 -4.832 -3.993 14.370 390 HB2 GLN 51 HB2 GLN 51 -3.275 -5.069 15.975 391 HB3 GLN 51 HB1 GLN 51 -4.430 -4.756 17.265 392 HG2 GLN 51 HG2 GLN 51 -6.086 -6.135 16.048 393 HG3 GLN 51 HG1 GLN 51 -4.839 -6.520 14.862 394 HE21 GLN 51 HE21 GLN 51 -6.314 -8.291 16.621 395 HE22 GLN 51 HE22 GLN 51 -5.139 -9.123 17.582 396 H THR 52 HN THR 52 -5.797 -2.884 17.605 397 HA THR 52 HA THR 52 -8.481 -3.766 17.372 398 HB THR 52 HB THR 52 -7.481 -1.561 19.181 399 HG1 THR 52 HG1 THR 52 -7.402 -4.399 19.569 400 HG21 THR 52 HG21 THR 52 -9.213 -2.404 20.704 401 HG22 THR 52 HG22 THR 52 -9.687 -3.604 19.502 402 HG23 THR 52 HG23 THR 52 -9.912 -1.888 19.168 403 H GLN 53 HN GLN 53 -6.830 -0.936 16.303 404 HA GLN 53 HA GLN 53 -9.393 0.251 15.462 405 HB2 GLN 53 HB2 GLN 53 -8.028 1.543 17.174 406 HB3 GLN 53 HB1 GLN 53 -6.804 1.747 15.927 407 HG2 GLN 53 HG2 GLN 53 -8.462 2.896 14.524 408 HG3 GLN 53 HG1 GLN 53 -9.647 2.733 15.818 409 HE21 GLN 53 HE21 GLN 53 -6.273 3.404 16.414 410 HE22 GLN 53 HE22 GLN 53 -6.490 5.037 16.944 411 H CYS 54 HN CYS 54 -7.587 -1.756 14.183 412 HA CYS 54 HA CYS 54 -5.953 -0.680 12.204 413 HG CYS 54 HG CYS 54 -4.696 -3.606 10.644 414 HB2 CYS 54 HB2 CYS 54 -5.945 -3.052 12.804 415 HB3 CYS 54 HB1 CYS 54 -7.559 -3.241 12.134 416 H GLU 55 HN GLU 55 -9.396 -1.523 12.051 417 HA GLU 55 HA GLU 55 -9.723 -1.082 9.300 418 HB2 GLU 55 HB2 GLU 55 -11.298 -2.345 10.737 419 HB3 GLU 55 HB1 GLU 55 -11.802 -0.831 11.476 420 HG2 GLU 55 HG2 GLU 55 -12.634 -0.042 9.340 421 HG3 GLU 55 HG1 GLU 55 -12.081 -1.526 8.563 422 H ALA 56 HN ALA 56 -10.116 1.084 12.066 423 HA ALA 56 HA ALA 56 -11.194 3.248 10.601 424 HB1 ALA 56 HB1 ALA 56 -11.401 3.050 13.038 425 HB2 ALA 56 HB2 ALA 56 -10.708 4.598 12.556 426 HB3 ALA 56 HB3 ALA 56 -9.670 3.328 13.195 427 H LEU 57 HN LEU 57 -7.889 2.347 11.489 428 HA LEU 57 HA LEU 57 -6.647 4.650 10.413 429 HG LEU 57 HG LEU 57 -4.658 4.721 11.822 430 HB2 LEU 57 HB2 LEU 57 -5.735 1.955 11.254 431 HB3 LEU 57 HB1 LEU 57 -4.681 2.854 10.180 432 HD11 LEU 57 HD11 LEU 57 -6.780 4.279 12.929 433 HD12 LEU 57 HD12 LEU 57 -5.453 4.316 14.092 434 HD13 LEU 57 HD13 LEU 57 -6.135 2.771 13.581 435 HD21 LEU 57 HD21 LEU 57 -2.865 3.086 11.791 436 HD22 LEU 57 HD22 LEU 57 -3.783 2.032 12.866 437 HD23 LEU 57 HD23 LEU 57 -3.207 3.595 13.445 438 H ALA 58 HN ALA 58 -7.529 1.527 9.042 439 HA ALA 58 HA ALA 58 -6.241 1.812 6.561 440 HB1 ALA 58 HB1 ALA 58 -7.763 0.077 5.769 441 HB2 ALA 58 HB2 ALA 58 -8.772 0.297 7.200 442 HB3 ALA 58 HB3 ALA 58 -7.128 -0.318 7.365 443 H GLN 59 HN GLN 59 -9.558 2.634 7.569 444 HA GLN 59 HA GLN 59 -10.315 3.704 5.059 445 HB2 GLN 59 HB2 GLN 59 -11.422 4.035 7.836 446 HB3 GLN 59 HB1 GLN 59 -12.100 4.907 6.470 447 HG2 GLN 59 HG2 GLN 59 -12.466 2.714 5.347 448 HG3 GLN 59 HG1 GLN 59 -11.952 1.927 6.837 449 HE21 GLN 59 HE21 GLN 59 -13.198 3.947 8.531 450 HE22 GLN 59 HE22 GLN 59 -14.903 3.639 8.472 451 H ALA 60 HN ALA 60 -8.828 5.148 7.917 452 HA ALA 60 HA ALA 60 -8.994 7.837 7.043 453 HB1 ALA 60 HB1 ALA 60 -8.540 7.243 9.370 454 HB2 ALA 60 HB2 ALA 60 -7.283 8.298 8.723 455 HB3 ALA 60 HB3 ALA 60 -6.979 6.570 8.900 456 H PHE 61 HN PHE 61 -6.586 5.296 6.588 457 HA PHE 61 HA PHE 61 -4.678 6.848 5.197 458 HD1 PHE 61 HD2 PHE 61 -2.146 5.435 5.976 459 HD2 PHE 61 HD1 PHE 61 -4.174 3.906 2.560 460 HE1 PHE 61 HE2 PHE 61 -0.018 5.380 4.740 461 HE2 PHE 61 HE1 PHE 61 -2.052 3.846 1.323 462 HZ PHE 61 HZ PHE 61 0.026 4.585 2.410 463 HB2 PHE 61 HB2 PHE 61 -4.375 4.504 6.157 464 HB3 PHE 61 HB1 PHE 61 -5.229 3.910 4.740 465 H SER 62 HN SER 62 -7.451 4.934 4.152 466 HA SER 62 HA SER 62 -7.216 5.206 1.397 467 HG SER 62 HG SER 62 -10.150 3.903 0.820 468 HB2 SER 62 HB2 SER 62 -8.843 3.708 2.454 469 HB3 SER 62 HB1 SER 62 -9.730 5.093 3.085 470 H ASN 63 HN ASN 63 -9.121 7.233 3.627 471 HA ASN 63 HA ASN 63 -9.986 9.118 1.781 472 HB2 ASN 63 HB2 ASN 63 -9.534 9.256 4.744 473 HB3 ASN 63 HB1 ASN 63 -10.042 10.684 3.849 474 HD21 ASN 63 HD21 ASN 63 -10.953 7.554 5.016 475 HD22 ASN 63 HD22 ASN 63 -12.639 7.695 4.661 476 H SER 64 HN SER 64 -6.955 8.957 3.563 477 HA SER 64 HA SER 64 -5.995 11.520 2.894 478 HG SER 64 HG SER 64 -3.404 11.136 2.618 479 HB2 SER 64 HB2 SER 64 -5.007 10.065 4.661 480 HB3 SER 64 HB1 SER 64 -4.377 9.006 3.401 481 H LEU 65 HN LEU 65 -5.762 8.386 1.263 482 HA LEU 65 HA LEU 65 -4.131 9.278 -0.883 483 HG LEU 65 HG LEU 65 -4.210 6.670 0.804 484 HB2 LEU 65 HB2 LEU 65 -6.093 6.984 -0.743 485 HB3 LEU 65 HB1 LEU 65 -4.966 7.252 -2.062 486 HD11 LEU 65 HD11 LEU 65 -5.163 4.732 -0.327 487 HD12 LEU 65 HD12 LEU 65 -3.429 4.529 -0.086 488 HD13 LEU 65 HD13 LEU 65 -4.054 4.962 -1.678 489 HD21 LEU 65 HD21 LEU 65 -1.930 6.479 -0.093 490 HD22 LEU 65 HD22 LEU 65 -2.580 8.109 -0.282 491 HD23 LEU 65 HD23 LEU 65 -2.515 7.020 -1.668 492 H ILE 66 HN ILE 66 -7.637 8.912 -0.487 493 HA ILE 66 HA ILE 66 -8.444 9.723 -3.036 494 HB ILE 66 HB ILE 66 -9.965 10.492 -0.542 495 HG12 ILE 66 HG12 ILE 66 -9.337 8.159 -0.257 496 HG13 ILE 66 HG11 ILE 66 -11.053 8.277 -0.625 497 HG21 ILE 66 HG21 ILE 66 -11.925 10.123 -1.957 498 HG22 ILE 66 HG22 ILE 66 -10.871 9.696 -3.305 499 HG23 ILE 66 HG23 ILE 66 -10.841 11.332 -2.646 500 HD11 ILE 66 HD11 ILE 66 -10.614 7.612 -2.917 501 HD12 ILE 66 HD12 ILE 66 -9.994 6.421 -1.772 502 HD13 ILE 66 HD13 ILE 66 -8.885 7.536 -2.572 503 H ASN 67 HN ASN 67 -7.900 11.626 -0.110 504 HA ASN 67 HA ASN 67 -8.570 14.151 -1.069 505 HB2 ASN 67 HB2 ASN 67 -8.143 13.591 1.309 506 HB3 ASN 67 HB1 ASN 67 -6.427 13.446 0.950 507 HD21 ASN 67 HD21 ASN 67 -9.076 15.601 1.440 508 HD22 ASN 67 HD22 ASN 67 -8.149 17.057 1.513 509 H ALA 68 HN ALA 68 -5.454 12.458 -1.144 510 HA ALA 68 HA ALA 68 -3.962 14.565 -2.281 511 HB1 ALA 68 HB1 ALA 68 -2.915 12.657 -1.179 512 HB2 ALA 68 HB2 ALA 68 -2.303 12.860 -2.821 513 HB3 ALA 68 HB3 ALA 68 -3.481 11.596 -2.467 514 H VAL 69 HN VAL 69 -5.612 11.784 -3.753 515 HA VAL 69 HA VAL 69 -4.899 12.314 -6.417 516 HB VAL 69 HB VAL 69 -7.389 10.955 -5.366 517 HG11 VAL 69 HG11 VAL 69 -7.698 11.686 -7.669 518 HG12 VAL 69 HG12 VAL 69 -7.537 9.932 -7.592 519 HG13 VAL 69 HG13 VAL 69 -6.179 10.920 -8.132 520 HG21 VAL 69 HG21 VAL 69 -4.753 9.820 -6.305 521 HG22 VAL 69 HG22 VAL 69 -6.168 8.878 -5.833 522 HG23 VAL 69 HG23 VAL 69 -5.330 9.869 -4.639 523 H LYS 70 HN LYS 70 -7.800 13.263 -4.584 524 HA LYS 70 HA LYS 70 -9.124 14.594 -6.661 525 HB2 LYS 70 HB2 LYS 70 -9.213 15.153 -3.691 526 HB3 LYS 70 HB1 LYS 70 -10.364 15.773 -4.867 527 HG2 LYS 70 HG2 LYS 70 -11.140 13.560 -5.362 528 HG3 LYS 70 HG1 LYS 70 -9.879 12.848 -4.356 529 HD2 LYS 70 HD2 LYS 70 -11.884 12.795 -3.087 530 HD3 LYS 70 HD1 LYS 70 -10.883 14.077 -2.408 531 HE2 LYS 70 HE2 LYS 70 -13.176 14.820 -2.565 532 HE3 LYS 70 HE1 LYS 70 -12.172 15.733 -3.694 533 HZ1 LYS 70 HZ1 LYS 70 -14.485 14.490 -4.317 534 HZ2 LYS 70 HZ2 LYS 70 -13.332 13.354 -4.839 535 HZ3 LYS 70 HZ3 LYS 70 -13.293 14.945 -5.433 536 H THR 71 HN THR 71 -6.710 15.762 -4.367 537 HA THR 71 HA THR 71 -6.934 18.496 -5.105 538 HB THR 71 HB THR 71 -4.602 17.089 -3.781 539 HG1 THR 71 HG1 THR 71 -6.275 16.820 -2.402 540 HG21 THR 71 HG21 THR 71 -5.386 20.012 -3.809 541 HG22 THR 71 HG22 THR 71 -4.009 19.305 -4.653 542 HG23 THR 71 HG23 THR 71 -4.054 19.308 -2.889 543 H ARG 72 HN ARG 72 -5.146 15.799 -6.411 544 HA ARG 72 HA ARG 72 -3.396 17.521 -7.967 545 HE ARG 72 HE ARG 72 0.767 14.989 -9.470 546 HB2 ARG 72 HB2 ARG 72 -2.660 15.330 -6.937 547 HB3 ARG 72 HB1 ARG 72 -3.656 14.516 -8.134 548 HG2 ARG 72 HG2 ARG 72 -2.326 15.575 -9.919 549 HG3 ARG 72 HG1 ARG 72 -1.297 16.301 -8.684 550 HD2 ARG 72 HD2 ARG 72 -0.788 14.004 -7.860 551 HD3 ARG 72 HD1 ARG 72 -1.688 13.360 -9.233 552 HH11 ARG 72 HH11 ARG 72 -1.332 12.435 -10.614 553 HH12 ARG 72 HH12 ARG 72 -0.272 11.968 -11.901 554 HH21 ARG 72 HH21 ARG 72 2.153 14.389 -11.170 555 HH22 ARG 72 HH22 ARG 72 1.702 13.086 -12.235 556 H LEU 73 HN LEU 73 -6.090 15.293 -8.519 557 HA LEU 73 HA LEU 73 -6.059 15.829 -11.381 558 HG LEU 73 HG LEU 73 -6.889 12.242 -11.277 559 HB2 LEU 73 HB2 LEU 73 -7.560 13.933 -9.618 560 HB3 LEU 73 HB1 LEU 73 -8.162 14.281 -11.226 561 HD11 LEU 73 HD11 LEU 73 -5.211 12.790 -12.970 562 HD12 LEU 73 HD12 LEU 73 -5.347 14.498 -12.545 563 HD13 LEU 73 HD13 LEU 73 -6.727 13.646 -13.240 564 HD21 LEU 73 HD21 LEU 73 -4.519 12.156 -10.711 565 HD22 LEU 73 HD22 LEU 73 -5.496 12.601 -9.313 566 HD23 LEU 73 HD23 LEU 73 -4.580 13.835 -10.175 567 H GLU 74 HN GLU 74 -7.220 17.398 -8.786 568 HA GLU 74 HA GLU 74 -9.766 18.097 -8.883 569 HB2 GLU 74 HB2 GLU 74 -8.088 19.196 -7.473 570 HB3 GLU 74 HB1 GLU 74 -7.505 20.096 -8.865 571 HG2 GLU 74 HG2 GLU 74 -9.709 21.179 -9.056 572 HG3 GLU 74 HG1 GLU 74 -10.232 20.318 -7.607 573 H HIS 75 HN HIS 75 -11.045 18.183 -10.610 574 HA HIS 75 HA HIS 75 -10.352 19.980 -12.816 575 HD1 HIS 75 HD1 HIS 75 -11.429 15.770 -12.678 576 HD2 HIS 75 HD2 HIS 75 -9.940 18.576 -15.369 577 HE1 HIS 75 HE1 HIS 75 -9.797 14.523 -14.134 578 HE2 HIS 75 HE2 HIS 75 -9.027 16.202 -15.847 579 HB2 HIS 75 HB2 HIS 75 -12.592 17.966 -12.496 580 HB3 HIS 75 HB1 HIS 75 -12.437 19.048 -13.876 581 H HIS 76 HN HIS 76 -11.444 21.869 -13.155 582 HA HIS 76 HA HIS 76 -12.836 22.828 -10.798 583 HD1 HIS 76 HD1 HIS 76 -9.314 24.283 -12.947 584 HD2 HIS 76 HD2 HIS 76 -11.338 24.553 -9.323 585 HE1 HIS 76 HE1 HIS 76 -7.534 24.491 -11.190 586 HE2 HIS 76 HE2 HIS 76 -8.785 24.329 -9.005 587 HB2 HIS 76 HB2 HIS 76 -11.788 24.251 -13.244 588 HB3 HIS 76 HB1 HIS 76 -12.678 25.063 -11.953 589 H HIS 77 HN HIS 77 -14.680 21.535 -11.099 590 HA HIS 77 HA HIS 77 -16.643 22.798 -12.894 591 HD1 HIS 77 HD1 HIS 77 -17.992 20.232 -15.371 592 HD2 HIS 77 HD2 HIS 77 -14.024 20.774 -14.231 593 HE1 HIS 77 HE1 HIS 77 -16.644 20.108 -17.495 594 HE2 HIS 77 HE2 HIS 77 -14.282 20.651 -16.798 595 HB2 HIS 77 HB2 HIS 77 -16.244 19.857 -12.341 596 HB3 HIS 77 HB1 HIS 77 -17.769 20.493 -12.940 597 H HIS 78 HN HIS 78 -17.900 23.926 -11.523 598 HA HIS 78 HA HIS 78 -18.606 22.863 -8.921 599 HD1 HIS 78 HD1 HIS 78 -17.267 26.373 -10.708 600 HD2 HIS 78 HD2 HIS 78 -18.095 25.251 -6.787 601 HE1 HIS 78 HE1 HIS 78 -15.481 27.452 -9.300 602 HE2 HIS 78 HE2 HIS 78 -16.034 26.817 -6.925 603 HB2 HIS 78 HB2 HIS 78 -19.575 25.318 -10.411 604 HB3 HIS 78 HB1 HIS 78 -20.080 24.888 -8.782 605 H HIS 79 HN HIS 79 -19.500 20.880 -9.659 606 HA HIS 79 HA HIS 79 -21.101 19.430 -10.332 607 HD1 HIS 79 HD1 HIS 79 -24.792 21.069 -12.020 608 HD2 HIS 79 HD2 HIS 79 -23.578 18.115 -9.354 609 HE1 HIS 79 HE1 HIS 79 -26.421 19.172 -12.316 610 HE2 HIS 79 HE2 HIS 79 -25.797 17.502 -10.532 611 HB2 HIS 79 HB2 HIS 79 -22.681 20.913 -9.089 612 HB3 HIS 79 HB1 HIS 79 -22.937 21.830 -10.568 613 H HIS 80 HN HIS 80 -22.084 18.650 -12.304 614 HA HIS 80 HA HIS 80 -22.286 18.395 -14.552 615 HD1 HIS 80 HD1 HIS 80 -20.439 21.285 -16.935 616 HD2 HIS 80 HD2 HIS 80 -24.224 19.578 -17.045 617 HE1 HIS 80 HE1 HIS 80 -20.992 21.023 -19.373 618 HE2 HIS 80 HE2 HIS 80 -23.365 20.184 -19.411 619 HB2 HIS 80 HB2 HIS 80 -23.299 20.634 -14.629 620 HB3 HIS 80 HB1 HIS 80 -21.703 21.370 -14.686 621 HA MET 1 HA MET 1 7.129 -16.093 -23.979 622 H1 MET 1 HT1 MET 1 8.465 -17.470 -26.235 623 H2 MET 1 HT2 MET 1 8.391 -15.796 -25.965 624 H3 MET 1 HT3 MET 1 6.977 -16.657 -26.329 625 HB2 MET 1 HB2 MET 1 5.930 -18.132 -24.735 626 HB3 MET 1 HB1 MET 1 7.410 -19.056 -24.539 627 HG2 MET 1 HG2 MET 1 6.180 -19.534 -22.630 628 HG3 MET 1 HG1 MET 1 7.343 -18.327 -22.095 629 HE1 MET 1 HE1 MET 1 6.371 -15.551 -22.708 630 HE2 MET 1 HE2 MET 1 6.707 -16.040 -21.048 631 HE3 MET 1 HE3 MET 1 5.212 -15.186 -21.430 632 H ALA 2 HN ALA 2 8.982 -15.092 -23.234 633 HA ALA 2 HA ALA 2 11.022 -16.913 -22.152 634 HB1 ALA 2 HB1 ALA 2 12.808 -15.384 -22.830 635 HB2 ALA 2 HB2 ALA 2 11.626 -14.368 -23.656 636 HB3 ALA 2 HB3 ALA 2 11.930 -16.008 -24.226 637 H GLN 3 HN GLN 3 8.702 -14.907 -21.392 638 HA GLN 3 HA GLN 3 10.169 -13.277 -19.461 639 HB2 GLN 3 HB2 GLN 3 8.547 -12.125 -20.875 640 HB3 GLN 3 HB1 GLN 3 7.277 -13.212 -20.337 641 HG2 GLN 3 HG2 GLN 3 7.335 -12.313 -18.134 642 HG3 GLN 3 HG1 GLN 3 8.786 -11.378 -18.495 643 HE21 GLN 3 HE21 GLN 3 8.630 -9.549 -19.761 644 HE22 GLN 3 HE22 GLN 3 7.116 -8.748 -20.054 645 H HIS 4 HN HIS 4 10.106 -13.641 -17.322 646 HA HIS 4 HA HIS 4 8.747 -16.044 -16.391 647 HD1 HIS 4 HD1 HIS 4 11.087 -17.815 -14.914 648 HD2 HIS 4 HD2 HIS 4 9.105 -15.110 -12.450 649 HE1 HIS 4 HE1 HIS 4 10.612 -19.060 -12.782 650 HE2 HIS 4 HE2 HIS 4 9.599 -17.347 -11.234 651 HB2 HIS 4 HB2 HIS 4 11.149 -15.432 -15.783 652 HB3 HIS 4 HB1 HIS 4 10.475 -14.163 -14.767 653 H SER 5 HN SER 5 8.401 -12.639 -16.373 654 HA SER 5 HA SER 5 6.553 -12.498 -14.165 655 HG SER 5 HG SER 5 8.590 -11.166 -14.050 656 HB2 SER 5 HB2 SER 5 7.064 -10.426 -16.307 657 HB3 SER 5 HB1 SER 5 6.429 -10.161 -14.682 658 H LYS 6 HN LYS 6 5.930 -14.332 -16.324 659 HA LYS 6 HA LYS 6 3.856 -13.229 -17.985 660 HB2 LYS 6 HB2 LYS 6 3.625 -15.592 -18.722 661 HB3 LYS 6 HB1 LYS 6 5.284 -15.012 -18.809 662 HG2 LYS 6 HG2 LYS 6 5.782 -16.127 -16.684 663 HG3 LYS 6 HG1 LYS 6 4.125 -16.727 -16.618 664 HD2 LYS 6 HD2 LYS 6 4.510 -17.944 -18.722 665 HD3 LYS 6 HD1 LYS 6 6.184 -17.377 -18.722 666 HE2 LYS 6 HE2 LYS 6 6.557 -18.494 -16.576 667 HE3 LYS 6 HE1 LYS 6 4.890 -19.066 -16.588 668 HZ1 LYS 6 HZ1 LYS 6 5.368 -20.319 -18.594 669 HZ2 LYS 6 HZ2 LYS 6 6.415 -20.771 -17.338 670 HZ3 LYS 6 HZ3 LYS 6 6.974 -19.768 -18.584 671 H TYR 7 HN TYR 7 3.218 -12.798 -15.288 672 HA TYR 7 HA TYR 7 1.687 -13.111 -13.647 673 HD1 TYR 7 HD1 TYR 7 -1.040 -11.838 -13.675 674 HD2 TYR 7 HD2 TYR 7 0.528 -12.795 -17.516 675 HE1 TYR 7 HE1 TYR 7 -1.734 -9.632 -14.507 676 HE2 TYR 7 HE2 TYR 7 -0.162 -10.590 -18.352 677 HH TYR 7 HH TYR 7 -1.260 -8.084 -16.259 678 HB2 TYR 7 HB2 TYR 7 0.176 -14.523 -15.858 679 HB3 TYR 7 HB1 TYR 7 -0.503 -14.145 -14.280 680 H SER 8 HN SER 8 3.237 -14.415 -12.560 681 HA SER 8 HA SER 8 2.540 -17.258 -12.475 682 HG SER 8 HG SER 8 5.314 -18.619 -12.090 683 HB2 SER 8 HB2 SER 8 4.688 -17.183 -13.473 684 HB3 SER 8 HB1 SER 8 5.243 -15.927 -12.366 685 H ASP 9 HN ASP 9 2.106 -18.087 -10.521 686 HA ASP 9 HA ASP 9 1.803 -16.410 -8.249 687 HB2 ASP 9 HB2 ASP 9 1.888 -19.431 -8.483 688 HB3 ASP 9 HB1 ASP 9 1.448 -18.565 -7.017 689 H ALA 10 HN ALA 10 4.353 -18.284 -9.574 690 HA ALA 10 HA ALA 10 5.965 -18.326 -7.184 691 HB1 ALA 10 HB1 ALA 10 6.710 -18.898 -10.055 692 HB2 ALA 10 HB2 ALA 10 6.194 -20.091 -8.863 693 HB3 ALA 10 HB3 ALA 10 7.715 -19.224 -8.642 694 H GLN 11 HN GLN 11 5.722 -16.456 -10.161 695 HA GLN 11 HA GLN 11 7.917 -14.735 -9.699 696 HB2 GLN 11 HB2 GLN 11 6.809 -14.878 -11.878 697 HB3 GLN 11 HB1 GLN 11 5.333 -14.221 -11.188 698 HG2 GLN 11 HG2 GLN 11 6.425 -12.490 -12.397 699 HG3 GLN 11 HG1 GLN 11 6.567 -12.130 -10.678 700 HE21 GLN 11 HE21 GLN 11 8.581 -12.290 -9.681 701 HE22 GLN 11 HE22 GLN 11 10.050 -12.333 -10.593 702 H LEU 12 HN LEU 12 4.479 -14.489 -8.874 703 HA LEU 12 HA LEU 12 4.558 -11.942 -7.713 704 HG LEU 12 HG LEU 12 2.656 -12.406 -5.368 705 HB2 LEU 12 HB2 LEU 12 2.461 -13.064 -8.307 706 HB3 LEU 12 HB1 LEU 12 2.736 -14.258 -7.051 707 HD11 LEU 12 HD11 LEU 12 1.646 -10.281 -6.049 708 HD12 LEU 12 HD12 LEU 12 1.705 -10.800 -7.734 709 HD13 LEU 12 HD13 LEU 12 3.201 -10.552 -6.836 710 HD21 LEU 12 HD21 LEU 12 0.223 -12.168 -5.403 711 HD22 LEU 12 HD22 LEU 12 0.717 -13.828 -5.751 712 HD23 LEU 12 HD23 LEU 12 0.189 -12.773 -7.061 713 H SER 13 HN SER 13 4.685 -15.142 -6.128 714 HA SER 13 HA SER 13 4.868 -14.275 -3.517 715 HG SER 13 HG SER 13 3.633 -16.193 -4.461 716 HB2 SER 13 HB2 SER 13 6.076 -16.725 -4.804 717 HB3 SER 13 HB1 SER 13 6.045 -16.453 -3.061 718 H ALA 14 HN ALA 14 7.530 -14.772 -5.822 719 HA ALA 14 HA ALA 14 9.608 -14.258 -3.989 720 HB1 ALA 14 HB1 ALA 14 9.978 -15.360 -6.141 721 HB2 ALA 14 HB2 ALA 14 11.023 -13.953 -5.957 722 HB3 ALA 14 HB3 ALA 14 9.590 -13.859 -6.982 723 H ILE 15 HN ILE 15 7.717 -12.101 -6.067 724 HA ILE 15 HA ILE 15 9.293 -9.788 -5.582 725 HB ILE 15 HB ILE 15 6.397 -10.009 -6.437 726 HG12 ILE 15 HG12 ILE 15 8.919 -9.505 -8.034 727 HG13 ILE 15 HG11 ILE 15 8.025 -11.021 -7.997 728 HG21 ILE 15 HG21 ILE 15 6.652 -7.679 -7.211 729 HG22 ILE 15 HG22 ILE 15 8.242 -7.622 -6.447 730 HG23 ILE 15 HG23 ILE 15 6.797 -7.832 -5.460 731 HD11 ILE 15 HD11 ILE 15 7.550 -9.745 -10.012 732 HD12 ILE 15 HD12 ILE 15 6.989 -8.389 -9.034 733 HD13 ILE 15 HD13 ILE 15 6.107 -9.916 -9.013 734 H VAL 16 HN VAL 16 6.311 -11.045 -4.089 735 HA VAL 16 HA VAL 16 6.014 -8.857 -2.292 736 HB VAL 16 HB VAL 16 4.944 -11.572 -1.611 737 HG11 VAL 16 HG11 VAL 16 3.062 -10.317 -0.785 738 HG12 VAL 16 HG12 VAL 16 3.697 -8.830 -1.490 739 HG13 VAL 16 HG13 VAL 16 4.549 -9.608 -0.150 740 HG21 VAL 16 HG21 VAL 16 3.032 -11.214 -3.114 741 HG22 VAL 16 HG22 VAL 16 4.545 -11.409 -3.998 742 HG23 VAL 16 HG23 VAL 16 3.844 -9.805 -3.793 743 H ASN 17 HN ASN 17 7.559 -12.009 -2.112 744 HA ASN 17 HA ASN 17 8.228 -12.013 0.619 745 HB2 ASN 17 HB2 ASN 17 8.336 -14.028 -0.770 746 HB3 ASN 17 HB1 ASN 17 9.643 -13.322 -1.715 747 HD21 ASN 17 HD21 ASN 17 8.734 -14.753 1.296 748 HD22 ASN 17 HD22 ASN 17 10.343 -15.023 1.895 749 H ASP 18 HN ASP 18 9.837 -10.631 -2.198 750 HA ASP 18 HA ASP 18 12.260 -10.041 -0.876 751 HB2 ASP 18 HB2 ASP 18 12.028 -10.155 -3.370 752 HB3 ASP 18 HB1 ASP 18 11.101 -8.659 -3.308 753 H MET 19 HN MET 19 9.305 -8.224 -1.594 754 HA MET 19 HA MET 19 9.981 -5.773 -0.476 755 HB2 MET 19 HB2 MET 19 7.310 -7.191 -0.513 756 HB3 MET 19 HB1 MET 19 7.521 -5.513 -0.033 757 HG2 MET 19 HG2 MET 19 8.164 -6.670 -2.736 758 HG3 MET 19 HG1 MET 19 6.749 -5.699 -2.330 759 HE1 MET 19 HE1 MET 19 8.675 -5.012 -4.754 760 HE2 MET 19 HE2 MET 19 8.846 -3.265 -4.565 761 HE3 MET 19 HE3 MET 19 7.275 -4.030 -4.321 762 H ILE 20 HN ILE 20 8.615 -8.637 1.114 763 HA ILE 20 HA ILE 20 8.437 -7.593 3.716 764 HB ILE 20 HB ILE 20 8.957 -10.449 2.854 765 HG12 ILE 20 HG12 ILE 20 6.365 -9.065 3.580 766 HG13 ILE 20 HG11 ILE 20 6.883 -9.438 1.938 767 HG21 ILE 20 HG21 ILE 20 7.973 -9.380 5.498 768 HG22 ILE 20 HG22 ILE 20 9.546 -10.116 5.191 769 HG23 ILE 20 HG23 ILE 20 8.077 -11.083 5.052 770 HD11 ILE 20 HD11 ILE 20 5.264 -11.057 2.739 771 HD12 ILE 20 HD12 ILE 20 6.304 -11.438 4.111 772 HD13 ILE 20 HD13 ILE 20 6.831 -11.823 2.472 773 H ALA 21 HN ALA 21 11.079 -9.180 1.997 774 HA ALA 21 HA ALA 21 12.891 -9.261 4.172 775 HB1 ALA 21 HB1 ALA 21 13.150 -10.668 2.187 776 HB2 ALA 21 HB2 ALA 21 14.599 -9.713 2.495 777 HB3 ALA 21 HB3 ALA 21 13.482 -9.236 1.214 778 H VAL 22 HN VAL 22 12.347 -6.924 1.569 779 HA VAL 22 HA VAL 22 14.491 -5.207 2.040 780 HB VAL 22 HB VAL 22 11.717 -4.413 1.126 781 HG11 VAL 22 HG11 VAL 22 12.871 -2.582 -0.029 782 HG12 VAL 22 HG12 VAL 22 14.391 -3.091 0.708 783 HG13 VAL 22 HG13 VAL 22 13.074 -2.500 1.720 784 HG21 VAL 22 HG21 VAL 22 14.069 -5.406 -0.483 785 HG22 VAL 22 HG22 VAL 22 12.610 -4.695 -1.168 786 HG23 VAL 22 HG23 VAL 22 12.511 -6.217 -0.279 787 H LEU 23 HN LEU 23 11.260 -5.274 3.462 788 HA LEU 23 HA LEU 23 11.538 -2.976 5.084 789 HG LEU 23 HG LEU 23 9.870 -3.972 7.498 790 HB2 LEU 23 HB2 LEU 23 9.375 -3.994 4.520 791 HB3 LEU 23 HB1 LEU 23 9.792 -5.413 5.462 792 HD11 LEU 23 HD11 LEU 23 8.729 -1.893 5.640 793 HD12 LEU 23 HD12 LEU 23 10.310 -1.839 6.420 794 HD13 LEU 23 HD13 LEU 23 8.842 -1.758 7.394 795 HD21 LEU 23 HD21 LEU 23 7.452 -3.780 7.725 796 HD22 LEU 23 HD22 LEU 23 7.894 -5.296 6.938 797 HD23 LEU 23 HD23 LEU 23 7.268 -3.955 5.980 798 H GLU 24 HN GLU 24 12.184 -6.397 5.645 799 HA GLU 24 HA GLU 24 12.723 -6.126 8.427 800 HB2 GLU 24 HB2 GLU 24 11.969 -8.219 7.361 801 HB3 GLU 24 HB1 GLU 24 13.500 -8.324 6.506 802 HG2 GLU 24 HG2 GLU 24 14.681 -8.558 8.619 803 HG3 GLU 24 HG1 GLU 24 13.156 -8.409 9.495 804 H LYS 25 HN LYS 25 14.772 -6.323 5.545 805 HA LYS 25 HA LYS 25 17.259 -6.382 6.872 806 HB2 LYS 25 HB2 LYS 25 16.517 -5.418 4.106 807 HB3 LYS 25 HB1 LYS 25 18.171 -5.607 4.670 808 HG2 LYS 25 HG2 LYS 25 17.935 -7.961 4.845 809 HG3 LYS 25 HG1 LYS 25 16.185 -7.866 4.616 810 HD2 LYS 25 HD2 LYS 25 16.489 -7.102 2.342 811 HD3 LYS 25 HD1 LYS 25 18.238 -7.059 2.559 812 HE2 LYS 25 HE2 LYS 25 18.307 -9.457 2.823 813 HE3 LYS 25 HE1 LYS 25 16.547 -9.547 2.772 814 HZ1 LYS 25 HZ1 LYS 25 17.749 -10.107 0.643 815 HZ2 LYS 25 HZ2 LYS 25 18.142 -8.463 0.522 816 HZ3 LYS 25 HZ3 LYS 25 16.524 -8.948 0.514 817 H HIS 26 HN HIS 26 15.292 -3.714 5.653 818 HA HIS 26 HA HIS 26 17.285 -1.756 6.438 819 HD1 HIS 26 HD1 HIS 26 15.798 -2.750 2.981 820 HD2 HIS 26 HD2 HIS 26 17.661 0.732 4.278 821 HE1 HIS 26 HE1 HIS 26 17.395 -2.112 1.146 822 HE2 HIS 26 HE2 HIS 26 18.626 -0.089 2.025 823 HB2 HIS 26 HB2 HIS 26 14.651 -1.612 5.010 824 HB3 HIS 26 HB1 HIS 26 15.394 -0.149 5.649 825 H LYS 27 HN LYS 27 14.594 -3.283 7.830 826 HA LYS 27 HA LYS 27 13.301 -2.929 9.652 827 HB2 LYS 27 HB2 LYS 27 15.866 -1.617 10.521 828 HB3 LYS 27 HB1 LYS 27 14.491 -1.809 11.598 829 HG2 LYS 27 HG2 LYS 27 14.613 -4.290 11.042 830 HG3 LYS 27 HG1 LYS 27 16.196 -3.934 10.351 831 HD2 LYS 27 HD2 LYS 27 16.675 -4.595 12.541 832 HD3 LYS 27 HD1 LYS 27 16.718 -2.834 12.610 833 HE2 LYS 27 HE2 LYS 27 14.330 -4.515 13.376 834 HE3 LYS 27 HE1 LYS 27 15.520 -3.910 14.522 835 HZ1 LYS 27 HZ1 LYS 27 14.924 -1.638 13.780 836 HZ2 LYS 27 HZ2 LYS 27 13.642 -2.461 14.524 837 HZ3 LYS 27 HZ3 LYS 27 13.675 -2.298 12.838 838 H ALA 28 HN ALA 28 12.610 -1.218 7.681 839 HA ALA 28 HA ALA 28 12.561 1.505 8.501 840 HB1 ALA 28 HB1 ALA 28 10.877 1.805 6.748 841 HB2 ALA 28 HB2 ALA 28 10.756 0.055 6.561 842 HB3 ALA 28 HB3 ALA 28 12.262 0.885 6.158 843 HA PRO 29 HA PRO 29 9.668 1.098 11.839 844 HB2 PRO 29 HB2 PRO 29 9.106 3.940 11.193 845 HB3 PRO 29 HB1 PRO 29 9.582 3.210 12.728 846 HG2 PRO 29 HG2 PRO 29 11.298 4.651 11.254 847 HG3 PRO 29 HG1 PRO 29 11.825 3.250 12.205 848 HD2 PRO 29 HD2 PRO 29 11.436 3.516 9.268 849 HD3 PRO 29 HD1 PRO 29 12.596 2.522 10.170 850 H VAL 30 HN VAL 30 7.504 0.743 12.010 851 HA VAL 30 HA VAL 30 5.966 0.533 9.614 852 HB VAL 30 HB VAL 30 4.142 -0.224 11.046 853 HG11 VAL 30 HG11 VAL 30 5.884 -1.816 10.477 854 HG12 VAL 30 HG12 VAL 30 5.280 -2.132 12.104 855 HG13 VAL 30 HG13 VAL 30 6.829 -1.318 11.881 856 HG21 VAL 30 HG21 VAL 30 4.417 1.368 12.885 857 HG22 VAL 30 HG22 VAL 30 5.909 0.561 13.366 858 HG23 VAL 30 HG23 VAL 30 4.371 -0.292 13.480 859 H ASP 31 HN ASP 31 6.759 3.211 11.213 860 HA ASP 31 HA ASP 31 4.241 4.602 10.800 861 HB2 ASP 31 HB2 ASP 31 5.707 5.097 12.779 862 HB3 ASP 31 HB1 ASP 31 6.917 5.722 11.664 863 H LEU 32 HN LEU 32 7.632 4.871 9.698 864 HA LEU 32 HA LEU 32 6.900 6.741 7.647 865 HG LEU 32 HG LEU 32 8.423 8.178 8.720 866 HB2 LEU 32 HB2 LEU 32 9.504 5.418 8.349 867 HB3 LEU 32 HB1 LEU 32 9.327 6.473 6.961 868 HD11 LEU 32 HD11 LEU 32 8.346 6.642 10.594 869 HD12 LEU 32 HD12 LEU 32 9.493 7.947 10.905 870 HD13 LEU 32 HD13 LEU 32 10.079 6.347 10.445 871 HD21 LEU 32 HD21 LEU 32 10.704 9.009 9.025 872 HD22 LEU 32 HD22 LEU 32 10.407 8.478 7.367 873 HD23 LEU 32 HD23 LEU 32 11.335 7.459 8.468 874 H SER 33 HN SER 33 7.523 3.293 7.797 875 HA SER 33 HA SER 33 7.942 2.887 5.038 876 HG SER 33 HG SER 33 7.245 1.052 8.237 877 HB2 SER 33 HB2 SER 33 7.140 0.530 5.528 878 HB3 SER 33 HB1 SER 33 8.481 1.094 6.524 879 H LEU 34 HN LEU 34 5.017 3.080 6.986 880 HA LEU 34 HA LEU 34 3.251 2.512 4.817 881 HG LEU 34 HG LEU 34 1.365 1.632 7.868 882 HB2 LEU 34 HB2 LEU 34 2.866 3.572 7.597 883 HB3 LEU 34 HB1 LEU 34 1.541 3.578 6.451 884 HD11 LEU 34 HD11 LEU 34 0.671 1.366 5.556 885 HD12 LEU 34 HD12 LEU 34 1.344 -0.138 6.189 886 HD13 LEU 34 HD13 LEU 34 2.306 0.873 5.111 887 HD21 LEU 34 HD21 LEU 34 3.696 1.402 8.535 888 HD22 LEU 34 HD22 LEU 34 4.121 0.889 6.901 889 HD23 LEU 34 HD23 LEU 34 3.070 -0.118 7.895 890 H ILE 35 HN ILE 35 4.611 5.446 6.235 891 HA ILE 35 HA ILE 35 3.070 7.281 4.727 892 HB ILE 35 HB ILE 35 5.891 7.605 5.771 893 HG12 ILE 35 HG12 ILE 35 3.239 8.492 6.927 894 HG13 ILE 35 HG11 ILE 35 4.198 7.139 7.517 895 HG21 ILE 35 HG21 ILE 35 5.455 10.021 5.566 896 HG22 ILE 35 HG22 ILE 35 3.912 9.663 4.789 897 HG23 ILE 35 HG23 ILE 35 5.422 9.203 4.003 898 HD11 ILE 35 HD11 ILE 35 5.044 10.028 7.513 899 HD12 ILE 35 HD12 ILE 35 5.999 8.672 8.111 900 HD13 ILE 35 HD13 ILE 35 4.489 9.108 8.911 901 H ALA 36 HN ALA 36 6.308 5.891 4.121 902 HA ALA 36 HA ALA 36 6.739 6.863 1.561 903 HB1 ALA 36 HB1 ALA 36 8.218 4.940 1.250 904 HB2 ALA 36 HB2 ALA 36 7.493 4.149 2.649 905 HB3 ALA 36 HB3 ALA 36 8.418 5.636 2.860 906 H LEU 37 HN LEU 37 4.953 3.988 2.598 907 HA LEU 37 HA LEU 37 4.274 2.997 0.069 908 HG LEU 37 HG LEU 37 3.039 0.899 0.262 909 HB2 LEU 37 HB2 LEU 37 3.970 1.961 2.401 910 HB3 LEU 37 HB1 LEU 37 2.478 2.870 2.474 911 HD11 LEU 37 HD11 LEU 37 3.212 -0.287 2.378 912 HD12 LEU 37 HD12 LEU 37 1.724 -0.726 1.540 913 HD13 LEU 37 HD13 LEU 37 1.672 0.394 2.902 914 HD21 LEU 37 HD21 LEU 37 1.233 2.512 -0.130 915 HD22 LEU 37 HD22 LEU 37 0.468 2.020 1.380 916 HD23 LEU 37 HD23 LEU 37 0.611 0.871 0.050 917 H GLY 38 HN GLY 38 2.569 5.284 2.196 918 HA2 GLY 38 HA2 GLY 38 0.348 5.748 0.541 919 HA3 GLY 38 HA1 GLY 38 0.967 6.868 1.746 920 H ASN 39 HN ASN 39 3.455 7.471 0.735 921 HA ASN 39 HA ASN 39 2.962 9.404 -1.217 922 HB2 ASN 39 HB2 ASN 39 4.944 9.367 0.285 923 HB3 ASN 39 HB1 ASN 39 5.584 8.005 -0.626 924 HD21 ASN 39 HD21 ASN 39 5.034 11.411 -0.575 925 HD22 ASN 39 HD22 ASN 39 5.947 11.792 -1.988 926 H MET 40 HN MET 40 4.336 6.139 -1.548 927 HA MET 40 HA MET 40 4.758 6.329 -4.348 928 HB2 MET 40 HB2 MET 40 5.948 4.727 -2.890 929 HB3 MET 40 HB1 MET 40 4.443 3.855 -2.633 930 HG2 MET 40 HG2 MET 40 4.337 3.279 -4.973 931 HG3 MET 40 HG1 MET 40 5.784 4.232 -5.298 932 HE1 MET 40 HE1 MET 40 5.064 1.889 -2.202 933 HE2 MET 40 HE2 MET 40 5.762 0.369 -2.761 934 HE3 MET 40 HE3 MET 40 4.331 1.025 -3.553 935 H ALA 41 HN ALA 41 2.146 4.970 -2.385 936 HA ALA 41 HA ALA 41 0.636 3.800 -4.416 937 HB1 ALA 41 HB1 ALA 41 -0.400 5.096 -1.894 938 HB2 ALA 41 HB2 ALA 41 0.223 3.450 -2.015 939 HB3 ALA 41 HB3 ALA 41 -1.242 3.904 -2.883 940 H SER 42 HN SER 42 0.479 7.095 -3.099 941 HA SER 42 HA SER 42 -1.664 8.026 -4.616 942 HG SER 42 HG SER 42 -0.159 8.659 -1.903 943 HB2 SER 42 HB2 SER 42 0.756 9.590 -3.685 944 HB3 SER 42 HB1 SER 42 -0.807 10.269 -4.139 945 H ASN 43 HN ASN 43 1.818 8.131 -5.334 946 HA ASN 43 HA ASN 43 1.571 9.491 -7.791 947 HB2 ASN 43 HB2 ASN 43 3.693 9.177 -6.441 948 HB3 ASN 43 HB1 ASN 43 3.767 7.539 -7.082 949 HD21 ASN 43 HD21 ASN 43 5.653 7.848 -8.203 950 HD22 ASN 43 HD22 ASN 43 5.768 8.862 -9.597 951 H LEU 44 HN LEU 44 1.597 6.046 -6.989 952 HA LEU 44 HA LEU 44 1.585 5.149 -9.692 953 HG LEU 44 HG LEU 44 2.829 2.269 -7.767 954 HB2 LEU 44 HB2 LEU 44 1.210 3.902 -7.025 955 HB3 LEU 44 HB1 LEU 44 0.572 3.034 -8.405 956 HD11 LEU 44 HD11 LEU 44 3.831 2.383 -10.002 957 HD12 LEU 44 HD12 LEU 44 2.682 3.646 -10.444 958 HD13 LEU 44 HD13 LEU 44 2.105 2.022 -10.067 959 HD21 LEU 44 HD21 LEU 44 3.718 5.035 -8.579 960 HD22 LEU 44 HD22 LEU 44 4.768 3.686 -8.141 961 HD23 LEU 44 HD23 LEU 44 3.704 4.403 -6.932 962 H LEU 45 HN LEU 45 -0.970 5.723 -7.303 963 HA LEU 45 HA LEU 45 -3.057 4.618 -8.877 964 HG LEU 45 HG LEU 45 -2.407 4.278 -5.934 965 HB2 LEU 45 HB2 LEU 45 -3.114 6.556 -6.568 966 HB3 LEU 45 HB1 LEU 45 -4.558 5.894 -7.309 967 HD11 LEU 45 HD11 LEU 45 -4.112 3.907 -4.216 968 HD12 LEU 45 HD12 LEU 45 -5.192 5.021 -5.052 969 HD13 LEU 45 HD13 LEU 45 -3.683 5.610 -4.356 970 HD21 LEU 45 HD21 LEU 45 -5.061 3.468 -7.118 971 HD22 LEU 45 HD22 LEU 45 -4.023 2.430 -6.141 972 HD23 LEU 45 HD23 LEU 45 -3.461 3.012 -7.708 973 H THR 46 HN THR 46 -1.451 7.672 -8.973 974 HA THR 46 HA THR 46 -3.642 8.792 -10.558 975 HB THR 46 HB THR 46 -2.302 10.929 -10.434 976 HG1 THR 46 HG1 THR 46 -0.879 9.616 -8.351 977 HG21 THR 46 HG21 THR 46 -4.201 10.512 -8.957 978 HG22 THR 46 HG22 THR 46 -2.933 11.398 -8.111 979 HG23 THR 46 HG23 THR 46 -3.146 9.672 -7.820 980 H THR 47 HN THR 47 -1.379 6.767 -11.347 981 HA THR 47 HA THR 47 -0.859 8.060 -13.931 982 HB THR 47 HB THR 47 1.466 7.104 -13.916 983 HG1 THR 47 HG1 THR 47 1.425 7.070 -11.121 984 HG21 THR 47 HG21 THR 47 2.436 8.891 -12.541 985 HG22 THR 47 HG22 THR 47 0.860 9.172 -11.801 986 HG23 THR 47 HG23 THR 47 1.093 9.486 -13.520 987 H SER 48 HN SER 48 -0.719 5.023 -12.074 988 HA SER 48 HA SER 48 -0.353 3.559 -14.576 989 HG SER 48 HG SER 48 1.448 4.198 -12.452 990 HB2 SER 48 HB2 SER 48 -0.130 2.613 -11.714 991 HB3 SER 48 HB1 SER 48 0.311 1.686 -13.150 992 H VAL 49 HN VAL 49 -2.895 4.338 -12.508 993 HA VAL 49 HA VAL 49 -4.463 2.114 -13.632 994 HB VAL 49 HB VAL 49 -5.952 2.183 -11.719 995 HG11 VAL 49 HG11 VAL 49 -4.026 0.715 -11.548 996 HG12 VAL 49 HG12 VAL 49 -4.457 1.363 -9.966 997 HG13 VAL 49 HG13 VAL 49 -3.074 2.021 -10.840 998 HG21 VAL 49 HG21 VAL 49 -5.491 3.570 -9.760 999 HG22 VAL 49 HG22 VAL 49 -5.808 4.551 -11.191 1000 HG23 VAL 49 HG23 VAL 49 -4.154 4.336 -10.617 1001 HA PRO 50 HA PRO 50 -7.235 4.933 -15.623 1002 HB2 PRO 50 HB2 PRO 50 -9.686 4.302 -14.433 1003 HB3 PRO 50 HB1 PRO 50 -8.992 3.513 -15.850 1004 HG2 PRO 50 HG2 PRO 50 -8.965 2.649 -12.999 1005 HG3 PRO 50 HG1 PRO 50 -9.104 1.668 -14.469 1006 HD2 PRO 50 HD2 PRO 50 -6.810 1.797 -13.092 1007 HD3 PRO 50 HD1 PRO 50 -6.818 1.721 -14.866 1008 H GLN 51 HN GLN 51 -6.718 6.953 -14.959 1009 HA GLN 51 HA GLN 51 -7.150 7.787 -12.240 1010 HB2 GLN 51 HB2 GLN 51 -6.156 9.931 -12.987 1011 HB3 GLN 51 HB1 GLN 51 -5.157 8.533 -13.348 1012 HG2 GLN 51 HG2 GLN 51 -5.919 8.579 -15.660 1013 HG3 GLN 51 HG1 GLN 51 -6.936 9.971 -15.298 1014 HE21 GLN 51 HE21 GLN 51 -3.754 9.543 -13.925 1015 HE22 GLN 51 HE22 GLN 51 -2.997 10.828 -14.796 1016 H THR 52 HN THR 52 -9.199 7.575 -14.792 1017 HA THR 52 HA THR 52 -10.709 9.982 -14.223 1018 HB THR 52 HB THR 52 -12.358 8.958 -15.846 1019 HG1 THR 52 HG1 THR 52 -11.990 6.835 -15.960 1020 HG21 THR 52 HG21 THR 52 -10.914 9.362 -17.798 1021 HG22 THR 52 HG22 THR 52 -9.501 9.309 -16.741 1022 HG23 THR 52 HG23 THR 52 -10.697 10.589 -16.547 1023 H GLN 53 HN GLN 53 -10.591 6.679 -13.291 1024 HA GLN 53 HA GLN 53 -12.951 7.060 -11.573 1025 HB2 GLN 53 HB2 GLN 53 -11.888 4.559 -12.887 1026 HB3 GLN 53 HB1 GLN 53 -12.917 4.478 -11.468 1027 HG2 GLN 53 HG2 GLN 53 -14.396 4.175 -13.209 1028 HG3 GLN 53 HG1 GLN 53 -14.567 5.891 -12.846 1029 HE21 GLN 53 HE21 GLN 53 -13.323 3.541 -15.085 1030 HE22 GLN 53 HE22 GLN 53 -13.079 4.638 -16.414 1031 H CYS 54 HN CYS 54 -10.085 7.758 -11.321 1032 HA CYS 54 HA CYS 54 -8.557 6.104 -9.755 1033 HG CYS 54 HG CYS 54 -8.987 10.192 -11.102 1034 HB2 CYS 54 HB2 CYS 54 -7.640 8.277 -8.771 1035 HB3 CYS 54 HB1 CYS 54 -7.587 8.109 -10.522 1036 H GLU 55 HN GLU 55 -10.979 8.432 -8.614 1037 HA GLU 55 HA GLU 55 -10.655 7.968 -5.868 1038 HB2 GLU 55 HB2 GLU 55 -13.109 8.863 -7.395 1039 HB3 GLU 55 HB1 GLU 55 -12.945 8.930 -5.644 1040 HG2 GLU 55 HG2 GLU 55 -11.088 10.490 -5.866 1041 HG3 GLU 55 HG1 GLU 55 -11.213 10.400 -7.623 1042 H ALA 56 HN ALA 56 -12.809 6.460 -8.231 1043 HA ALA 56 HA ALA 56 -14.272 4.879 -6.420 1044 HB1 ALA 56 HB1 ALA 56 -13.736 4.349 -9.338 1045 HB2 ALA 56 HB2 ALA 56 -15.018 5.381 -8.705 1046 HB3 ALA 56 HB3 ALA 56 -15.031 3.649 -8.365 1047 H LEU 57 HN LEU 57 -11.461 4.085 -8.463 1048 HA LEU 57 HA LEU 57 -11.294 1.381 -7.675 1049 HG LEU 57 HG LEU 57 -9.246 1.531 -10.707 1050 HB2 LEU 57 HB2 LEU 57 -9.444 3.295 -9.008 1051 HB3 LEU 57 HB1 LEU 57 -8.764 1.816 -8.358 1052 HD11 LEU 57 HD11 LEU 57 -10.682 -0.441 -10.616 1053 HD12 LEU 57 HD12 LEU 57 -11.214 0.020 -8.998 1054 HD13 LEU 57 HD13 LEU 57 -9.527 -0.414 -9.283 1055 HD21 LEU 57 HD21 LEU 57 -10.994 3.203 -10.971 1056 HD22 LEU 57 HD22 LEU 57 -12.102 2.214 -10.020 1057 HD23 LEU 57 HD23 LEU 57 -11.528 1.638 -11.584 1058 H ALA 58 HN ALA 58 -9.724 4.289 -6.405 1059 HA ALA 58 HA ALA 58 -8.050 2.995 -4.551 1060 HB1 ALA 58 HB1 ALA 58 -7.855 5.168 -3.466 1061 HB2 ALA 58 HB2 ALA 58 -9.240 5.761 -4.385 1062 HB3 ALA 58 HB3 ALA 58 -7.749 5.326 -5.219 1063 H GLN 59 HN GLN 59 -11.339 4.292 -4.231 1064 HA GLN 59 HA GLN 59 -11.587 3.600 -1.487 1065 HB2 GLN 59 HB2 GLN 59 -13.700 4.180 -3.568 1066 HB3 GLN 59 HB1 GLN 59 -14.038 3.949 -1.857 1067 HG2 GLN 59 HG2 GLN 59 -12.536 5.863 -1.363 1068 HG3 GLN 59 HG1 GLN 59 -12.383 6.134 -3.099 1069 HE21 GLN 59 HE21 GLN 59 -14.446 6.356 -0.330 1070 HE22 GLN 59 HE22 GLN 59 -15.680 7.313 -1.066 1071 H ALA 60 HN ALA 60 -12.376 1.935 -4.498 1072 HA ALA 60 HA ALA 60 -13.795 -0.215 -3.372 1073 HB1 ALA 60 HB1 ALA 60 -13.786 0.277 -5.771 1074 HB2 ALA 60 HB2 ALA 60 -13.321 -1.395 -5.452 1075 HB3 ALA 60 HB3 ALA 60 -12.090 -0.200 -5.858 1076 H PHE 61 HN PHE 61 -10.332 0.157 -4.101 1077 HA PHE 61 HA PHE 61 -9.581 -2.440 -3.303 1078 HD1 PHE 61 HD1 PHE 61 -7.382 -3.304 -4.697 1079 HD2 PHE 61 HD2 PHE 61 -6.173 -0.512 -1.718 1080 HE1 PHE 61 HE1 PHE 61 -5.462 -4.732 -4.144 1081 HE2 PHE 61 HE2 PHE 61 -4.251 -1.936 -1.160 1082 HZ PHE 61 HZ PHE 61 -3.890 -4.047 -2.369 1083 HB2 PHE 61 HB2 PHE 61 -8.167 -0.910 -4.679 1084 HB3 PHE 61 HB1 PHE 61 -7.880 0.063 -3.241 1085 H SER 62 HN SER 62 -9.704 0.627 -1.524 1086 HA SER 62 HA SER 62 -8.570 -0.413 0.845 1087 HG SER 62 HG SER 62 -10.027 2.478 -0.780 1088 HB2 SER 62 HB2 SER 62 -9.663 1.664 1.892 1089 HB3 SER 62 HB1 SER 62 -8.462 1.924 0.627 1090 H ASN 63 HN ASN 63 -11.953 0.048 -0.167 1091 HA ASN 63 HA ASN 63 -13.171 -0.886 2.174 1092 HB2 ASN 63 HB2 ASN 63 -14.034 -0.712 -0.678 1093 HB3 ASN 63 HB1 ASN 63 -15.006 -1.673 0.431 1094 HD21 ASN 63 HD21 ASN 63 -13.913 1.512 -0.406 1095 HD22 ASN 63 HD22 ASN 63 -15.035 2.373 0.592 1096 H SER 64 HN SER 64 -11.781 -2.623 -0.537 1097 HA SER 64 HA SER 64 -12.694 -5.196 0.193 1098 HG SER 64 HG SER 64 -11.979 -3.614 -2.362 1099 HB2 SER 64 HB2 SER 64 -10.167 -4.441 -1.306 1100 HB3 SER 64 HB1 SER 64 -10.934 -6.030 -1.291 1101 H LEU 65 HN LEU 65 -9.829 -3.309 1.038 1102 HA LEU 65 HA LEU 65 -8.561 -5.281 2.617 1103 HG LEU 65 HG LEU 65 -7.574 -3.111 0.626 1104 HB2 LEU 65 HB2 LEU 65 -8.416 -2.271 2.790 1105 HB3 LEU 65 HB1 LEU 65 -7.339 -3.372 3.625 1106 HD11 LEU 65 HD11 LEU 65 -5.427 -2.182 2.524 1107 HD12 LEU 65 HD12 LEU 65 -6.555 -1.149 1.645 1108 HD13 LEU 65 HD13 LEU 65 -5.355 -2.097 0.764 1109 HD21 LEU 65 HD21 LEU 65 -5.592 -4.545 0.576 1110 HD22 LEU 65 HD22 LEU 65 -6.962 -5.368 1.321 1111 HD23 LEU 65 HD23 LEU 65 -5.671 -4.716 2.329 1112 H ILE 66 HN ILE 66 -11.007 -2.849 3.307 1113 HA ILE 66 HA ILE 66 -11.091 -3.015 6.094 1114 HB ILE 66 HB ILE 66 -13.464 -2.614 4.256 1115 HG12 ILE 66 HG12 ILE 66 -11.751 -1.013 3.667 1116 HG13 ILE 66 HG11 ILE 66 -13.013 -0.183 4.571 1117 HG21 ILE 66 HG21 ILE 66 -14.424 -1.365 6.130 1118 HG22 ILE 66 HG22 ILE 66 -13.027 -1.784 7.120 1119 HG23 ILE 66 HG23 ILE 66 -14.116 -3.050 6.551 1120 HD11 ILE 66 HD11 ILE 66 -10.367 -1.094 5.678 1121 HD12 ILE 66 HD12 ILE 66 -11.623 -0.235 6.568 1122 HD13 ILE 66 HD13 ILE 66 -10.795 0.557 5.226 1123 H ASN 67 HN ASN 67 -12.688 -4.957 3.622 1124 HA ASN 67 HA ASN 67 -14.140 -6.645 5.368 1125 HB2 ASN 67 HB2 ASN 67 -14.641 -6.429 2.957 1126 HB3 ASN 67 HB1 ASN 67 -13.113 -7.216 2.576 1127 HD21 ASN 67 HD21 ASN 67 -12.912 -9.422 2.851 1128 HD22 ASN 67 HD22 ASN 67 -14.276 -10.451 3.125 1129 H ALA 68 HN ALA 68 -10.898 -6.797 4.005 1130 HA ALA 68 HA ALA 68 -10.255 -9.405 4.882 1131 HB1 ALA 68 HB1 ALA 68 -8.386 -7.098 4.357 1132 HB2 ALA 68 HB2 ALA 68 -9.004 -8.211 3.137 1133 HB3 ALA 68 HB3 ALA 68 -7.953 -8.807 4.421 1134 H VAL 69 HN VAL 69 -9.913 -6.220 6.385 1135 HA VAL 69 HA VAL 69 -8.482 -6.961 8.666 1136 HB VAL 69 HB VAL 69 -10.645 -4.854 8.434 1137 HG11 VAL 69 HG11 VAL 69 -10.240 -5.430 10.764 1138 HG12 VAL 69 HG12 VAL 69 -9.598 -3.827 10.401 1139 HG13 VAL 69 HG13 VAL 69 -8.505 -5.206 10.533 1140 HG21 VAL 69 HG21 VAL 69 -8.782 -3.285 8.158 1141 HG22 VAL 69 HG22 VAL 69 -8.815 -4.491 6.870 1142 HG23 VAL 69 HG23 VAL 69 -7.647 -4.636 8.186 1143 H LYS 70 HN LYS 70 -11.986 -6.913 8.087 1144 HA LYS 70 HA LYS 70 -12.755 -7.896 10.606 1145 HB2 LYS 70 HB2 LYS 70 -14.121 -8.124 7.923 1146 HB3 LYS 70 HB1 LYS 70 -14.863 -8.595 9.443 1147 HG2 LYS 70 HG2 LYS 70 -14.604 -6.271 10.247 1148 HG3 LYS 70 HG1 LYS 70 -13.971 -5.829 8.661 1149 HD2 LYS 70 HD2 LYS 70 -16.056 -6.481 7.612 1150 HD3 LYS 70 HD1 LYS 70 -16.692 -7.034 9.161 1151 HE2 LYS 70 HE2 LYS 70 -17.589 -4.847 8.592 1152 HE3 LYS 70 HE1 LYS 70 -16.566 -4.747 10.026 1153 HZ1 LYS 70 HZ1 LYS 70 -15.568 -4.130 7.306 1154 HZ2 LYS 70 HZ2 LYS 70 -14.845 -3.749 8.800 1155 HZ3 LYS 70 HZ3 LYS 70 -16.261 -2.955 8.310 1156 H THR 71 HN THR 71 -11.809 -9.544 7.637 1157 HA THR 71 HA THR 71 -12.556 -12.149 8.356 1158 HB THR 71 HB THR 71 -10.213 -11.344 6.615 1159 HG1 THR 71 HG1 THR 71 -12.551 -10.601 6.160 1160 HG21 THR 71 HG21 THR 71 -11.848 -13.887 6.688 1161 HG22 THR 71 HG22 THR 71 -10.182 -13.711 7.241 1162 HG23 THR 71 HG23 THR 71 -10.566 -13.515 5.532 1163 H ARG 72 HN ARG 72 -9.697 -10.256 9.150 1164 HA ARG 72 HA ARG 72 -8.313 -12.482 10.364 1165 HE ARG 72 HE ARG 72 -4.258 -10.412 9.729 1166 HB2 ARG 72 HB2 ARG 72 -7.099 -10.562 9.335 1167 HB3 ARG 72 HB1 ARG 72 -7.743 -9.517 10.595 1168 HG2 ARG 72 HG2 ARG 72 -5.665 -9.996 11.431 1169 HG3 ARG 72 HG1 ARG 72 -6.636 -11.252 12.201 1170 HD2 ARG 72 HD2 ARG 72 -4.802 -12.428 11.409 1171 HD3 ARG 72 HD1 ARG 72 -6.004 -12.676 10.141 1172 HH11 ARG 72 HH11 ARG 72 -4.719 -13.842 9.138 1173 HH12 ARG 72 HH12 ARG 72 -3.645 -13.868 7.766 1174 HH21 ARG 72 HH21 ARG 72 -2.844 -10.448 7.978 1175 HH22 ARG 72 HH22 ARG 72 -2.561 -11.929 7.109 1176 H LEU 73 HN LEU 73 -10.284 -9.772 11.390 1177 HA LEU 73 HA LEU 73 -9.794 -9.981 14.167 1178 HG LEU 73 HG LEU 73 -12.587 -9.065 15.174 1179 HB2 LEU 73 HB2 LEU 73 -10.716 -7.973 13.066 1180 HB3 LEU 73 HB1 LEU 73 -12.196 -8.848 12.730 1181 HD11 LEU 73 HD11 LEU 73 -11.272 -7.688 16.709 1182 HD12 LEU 73 HD12 LEU 73 -10.194 -7.245 15.385 1183 HD13 LEU 73 HD13 LEU 73 -10.278 -8.920 15.930 1184 HD21 LEU 73 HD21 LEU 73 -13.189 -6.712 15.541 1185 HD22 LEU 73 HD22 LEU 73 -13.642 -7.272 13.931 1186 HD23 LEU 73 HD23 LEU 73 -12.215 -6.257 14.141 1187 H GLU 74 HN GLU 74 -12.142 -11.473 12.021 1188 HA GLU 74 HA GLU 74 -13.723 -12.597 14.120 1189 HB2 GLU 74 HB2 GLU 74 -13.539 -13.302 11.192 1190 HB3 GLU 74 HB1 GLU 74 -14.710 -13.989 12.305 1191 HG2 GLU 74 HG2 GLU 74 -15.557 -11.682 12.713 1192 HG3 GLU 74 HG1 GLU 74 -14.491 -11.129 11.418 1193 H HIS 75 HN HIS 75 -12.748 -13.997 15.488 1194 HA HIS 75 HA HIS 75 -11.044 -16.099 14.490 1195 HD1 HIS 75 HD1 HIS 75 -10.905 -13.459 17.704 1196 HD2 HIS 75 HD2 HIS 75 -8.567 -16.501 16.104 1197 HE1 HIS 75 HE1 HIS 75 -8.524 -12.655 17.893 1198 HE2 HIS 75 HE2 HIS 75 -7.151 -14.424 16.722 1199 HB2 HIS 75 HB2 HIS 75 -12.222 -15.528 17.206 1200 HB3 HIS 75 HB1 HIS 75 -11.313 -16.999 16.869 1201 H HIS 76 HN HIS 76 -14.333 -15.534 14.568 1202 HA HIS 76 HA HIS 76 -15.170 -18.293 14.525 1203 HD1 HIS 76 HD1 HIS 76 -17.635 -18.662 15.865 1204 HD2 HIS 76 HD2 HIS 76 -18.627 -17.307 12.062 1205 HE1 HIS 76 HE1 HIS 76 -19.648 -20.001 15.172 1206 HE2 HIS 76 HE2 HIS 76 -20.382 -18.963 12.993 1207 HB2 HIS 76 HB2 HIS 76 -16.631 -16.277 15.145 1208 HB3 HIS 76 HB1 HIS 76 -16.697 -15.928 13.421 1209 H HIS 77 HN HIS 77 -14.209 -15.792 12.297 1210 HA HIS 77 HA HIS 77 -13.035 -15.945 10.382 1211 HD1 HIS 77 HD1 HIS 77 -12.808 -19.856 8.432 1212 HD2 HIS 77 HD2 HIS 77 -10.338 -16.658 9.397 1213 HE1 HIS 77 HE1 HIS 77 -11.128 -19.719 6.572 1214 HE2 HIS 77 HE2 HIS 77 -9.804 -17.629 7.059 1215 HB2 HIS 77 HB2 HIS 77 -12.040 -17.961 11.417 1216 HB3 HIS 77 HB1 HIS 77 -13.303 -18.941 10.686 1217 H HIS 78 HN HIS 78 -16.202 -16.533 10.594 1218 HA HIS 78 HA HIS 78 -17.929 -17.074 9.205 1219 HD1 HIS 78 HD1 HIS 78 -16.751 -13.401 8.602 1220 HD2 HIS 78 HD2 HIS 78 -19.905 -15.704 7.136 1221 HE1 HIS 78 HE1 HIS 78 -18.782 -11.920 8.685 1222 HE2 HIS 78 HE2 HIS 78 -20.643 -13.280 7.672 1223 HB2 HIS 78 HB2 HIS 78 -15.999 -15.590 7.519 1224 HB3 HIS 78 HB1 HIS 78 -17.208 -16.522 6.642 1225 H HIS 79 HN HIS 79 -17.989 -19.257 9.500 1226 HA HIS 79 HA HIS 79 -17.712 -21.480 9.146 1227 HD1 HIS 79 HD1 HIS 79 -18.874 -23.417 6.656 1228 HD2 HIS 79 HD2 HIS 79 -14.731 -23.044 6.749 1229 HE1 HIS 79 HE1 HIS 79 -17.972 -25.717 6.201 1230 HE2 HIS 79 HE2 HIS 79 -15.485 -25.509 6.503 1231 HB2 HIS 79 HB2 HIS 79 -18.101 -21.021 6.739 1232 HB3 HIS 79 HB1 HIS 79 -16.383 -20.705 6.532 1233 H HIS 80 HN HIS 80 -16.382 -21.978 10.766 1234 HA HIS 80 HA HIS 80 -13.654 -21.091 10.832 1235 HD1 HIS 80 HD1 HIS 80 -13.000 -24.187 13.676 1236 HD2 HIS 80 HD2 HIS 80 -12.637 -20.049 13.530 1237 HE1 HIS 80 HE1 HIS 80 -10.918 -23.641 14.969 1238 HE2 HIS 80 HE2 HIS 80 -10.599 -21.167 14.652 1239 HB2 HIS 80 HB2 HIS 80 -15.137 -21.316 12.857 1240 HB3 HIS 80 HB1 HIS 80 -15.022 -23.062 12.675 Start of MODEL 8 1 HA MET 1 HA MET 1 24.490 4.050 22.043 2 H1 MET 1 HT1 MET 1 23.516 5.466 23.693 3 H2 MET 1 HT2 MET 1 22.126 5.681 22.754 4 H3 MET 1 HT3 MET 1 23.610 6.304 22.222 5 HB2 MET 1 HB2 MET 1 22.818 3.191 23.779 6 HB3 MET 1 HB1 MET 1 21.631 3.170 22.486 7 HG2 MET 1 HG2 MET 1 22.631 0.970 22.922 8 HG3 MET 1 HG1 MET 1 22.901 1.534 21.274 9 HE1 MET 1 HE1 MET 1 26.128 -0.546 22.112 10 HE2 MET 1 HE2 MET 1 24.784 -0.346 20.989 11 HE3 MET 1 HE3 MET 1 24.479 -0.872 22.646 12 H ALA 2 HN ALA 2 23.084 2.414 20.226 13 HA ALA 2 HA ALA 2 23.226 3.979 17.897 14 HB1 ALA 2 HB1 ALA 2 22.373 2.009 16.729 15 HB2 ALA 2 HB2 ALA 2 21.934 1.280 18.274 16 HB3 ALA 2 HB3 ALA 2 23.630 1.575 17.889 17 H GLN 3 HN GLN 3 21.881 5.599 17.534 18 HA GLN 3 HA GLN 3 19.021 5.276 18.106 19 HB2 GLN 3 HB2 GLN 3 20.709 7.285 18.792 20 HB3 GLN 3 HB1 GLN 3 20.118 7.899 17.258 21 HG2 GLN 3 HG2 GLN 3 18.197 6.961 19.340 22 HG3 GLN 3 HG1 GLN 3 18.932 8.557 19.455 23 HE21 GLN 3 HE21 GLN 3 16.703 6.538 17.738 24 HE22 GLN 3 HE22 GLN 3 16.006 7.798 16.772 25 H HIS 4 HN HIS 4 17.566 5.180 16.468 26 HA HIS 4 HA HIS 4 18.649 4.858 13.801 27 HD1 HIS 4 HD1 HIS 4 14.371 4.503 12.698 28 HD2 HIS 4 HD2 HIS 4 18.088 2.739 12.054 29 HE1 HIS 4 HE1 HIS 4 14.305 3.603 10.346 30 HE2 HIS 4 HE2 HIS 4 16.635 2.737 9.911 31 HB2 HIS 4 HB2 HIS 4 16.984 3.276 14.802 32 HB3 HIS 4 HB1 HIS 4 15.783 4.560 14.720 33 H SER 5 HN SER 5 19.133 7.329 14.115 34 HA SER 5 HA SER 5 18.858 9.445 13.366 35 HG SER 5 HG SER 5 18.542 10.391 11.028 36 HB2 SER 5 HB2 SER 5 18.359 8.199 11.224 37 HB3 SER 5 HB1 SER 5 16.646 8.370 11.603 38 H LYS 6 HN LYS 6 16.790 11.078 12.793 39 HA LYS 6 HA LYS 6 15.216 10.896 15.277 40 HB2 LYS 6 HB2 LYS 6 17.144 12.610 15.106 41 HB3 LYS 6 HB1 LYS 6 16.077 13.492 14.024 42 HG2 LYS 6 HG2 LYS 6 14.415 13.690 15.777 43 HG3 LYS 6 HG1 LYS 6 15.424 12.735 16.866 44 HD2 LYS 6 HD2 LYS 6 17.176 14.455 16.721 45 HD3 LYS 6 HD1 LYS 6 16.128 15.416 15.674 46 HE2 LYS 6 HE2 LYS 6 15.482 14.591 18.503 47 HE3 LYS 6 HE1 LYS 6 16.085 16.175 18.019 48 HZ1 LYS 6 HZ1 LYS 6 14.092 16.418 16.620 49 HZ2 LYS 6 HZ2 LYS 6 13.724 16.274 18.268 50 HZ3 LYS 6 HZ3 LYS 6 13.496 14.950 17.231 51 H TYR 7 HN TYR 7 14.282 9.887 12.822 52 HA TYR 7 HA TYR 7 12.426 9.861 11.519 53 HD1 TYR 7 HD1 TYR 7 10.031 8.681 12.273 54 HD2 TYR 7 HD2 TYR 7 9.593 12.911 12.232 55 HE1 TYR 7 HE1 TYR 7 7.814 8.435 11.237 56 HE2 TYR 7 HE2 TYR 7 7.379 12.678 11.191 57 HH TYR 7 HH TYR 7 6.142 11.014 9.834 58 HB2 TYR 7 HB2 TYR 7 11.379 10.222 13.774 59 HB3 TYR 7 HB1 TYR 7 11.361 11.945 13.437 60 H SER 8 HN SER 8 13.592 10.758 9.767 61 HA SER 8 HA SER 8 13.235 13.637 9.348 62 HG SER 8 HG SER 8 15.016 14.544 7.844 63 HB2 SER 8 HB2 SER 8 15.567 12.962 9.393 64 HB3 SER 8 HB1 SER 8 15.259 11.728 8.174 65 H ASP 9 HN ASP 9 12.331 14.418 7.487 66 HA ASP 9 HA ASP 9 10.654 12.675 5.972 67 HB2 ASP 9 HB2 ASP 9 10.058 14.628 4.674 68 HB3 ASP 9 HB1 ASP 9 10.137 15.090 6.370 69 H ALA 10 HN ALA 10 13.903 13.742 5.755 70 HA ALA 10 HA ALA 10 14.264 12.994 2.986 71 HB1 ALA 10 HB1 ALA 10 16.311 13.574 5.130 72 HB2 ALA 10 HB2 ALA 10 15.666 14.745 3.981 73 HB3 ALA 10 HB3 ALA 10 16.640 13.391 3.407 74 H GLN 11 HN GLN 11 14.705 11.649 6.184 75 HA GLN 11 HA GLN 11 15.945 9.220 5.471 76 HB2 GLN 11 HB2 GLN 11 15.815 9.917 7.781 77 HB3 GLN 11 HB1 GLN 11 14.060 9.929 7.727 78 HG2 GLN 11 HG2 GLN 11 14.053 7.502 7.451 79 HG3 GLN 11 HG1 GLN 11 15.817 7.496 7.517 80 HE21 GLN 11 HE21 GLN 11 15.810 6.164 9.334 81 HE22 GLN 11 HE22 GLN 11 15.393 6.776 10.906 82 H LEU 12 HN LEU 12 12.548 10.123 5.840 83 HA LEU 12 HA LEU 12 11.339 7.755 5.018 84 HG LEU 12 HG LEU 12 8.109 9.585 4.937 85 HB2 LEU 12 HB2 LEU 12 10.135 9.630 6.024 86 HB3 LEU 12 HB1 LEU 12 10.462 10.623 4.623 87 HD11 LEU 12 HD11 LEU 12 9.557 9.383 2.304 88 HD12 LEU 12 HD12 LEU 12 8.761 10.815 2.958 89 HD13 LEU 12 HD13 LEU 12 7.806 9.400 2.515 90 HD21 LEU 12 HD21 LEU 12 9.564 7.236 3.739 91 HD22 LEU 12 HD22 LEU 12 7.816 7.398 3.898 92 HD23 LEU 12 HD23 LEU 12 8.828 7.297 5.340 93 H SER 13 HN SER 13 12.272 10.586 3.062 94 HA SER 13 HA SER 13 11.423 9.639 0.594 95 HG SER 13 HG SER 13 11.841 12.306 1.996 96 HB2 SER 13 HB2 SER 13 13.769 11.458 1.188 97 HB3 SER 13 HB1 SER 13 12.998 11.266 -0.386 98 H ALA 14 HN ALA 14 14.526 9.142 2.237 99 HA ALA 14 HA ALA 14 15.844 7.823 0.136 100 HB1 ALA 14 HB1 ALA 14 16.250 7.440 3.099 101 HB2 ALA 14 HB2 ALA 14 16.986 8.713 2.125 102 HB3 ALA 14 HB3 ALA 14 17.392 7.024 1.822 103 H ILE 15 HN ILE 15 13.616 6.655 2.600 104 HA ILE 15 HA ILE 15 14.069 3.884 2.072 105 HB ILE 15 HB ILE 15 11.758 5.273 3.433 106 HG12 ILE 15 HG12 ILE 15 14.121 3.759 4.564 107 HG13 ILE 15 HG11 ILE 15 13.976 5.512 4.519 108 HG21 ILE 15 HG21 ILE 15 12.437 2.336 3.323 109 HG22 ILE 15 HG22 ILE 15 11.039 3.112 2.579 110 HG23 ILE 15 HG23 ILE 15 11.186 3.059 4.336 111 HD11 ILE 15 HD11 ILE 15 13.447 4.667 6.714 112 HD12 ILE 15 HD12 ILE 15 12.204 3.616 6.035 113 HD13 ILE 15 HD13 ILE 15 12.009 5.366 5.968 114 H VAL 16 HN VAL 16 11.601 6.233 1.056 115 HA VAL 16 HA VAL 16 10.094 4.426 -0.515 116 HB VAL 16 HB VAL 16 10.349 7.336 -1.234 117 HG11 VAL 16 HG11 VAL 16 8.945 5.885 -2.622 118 HG12 VAL 16 HG12 VAL 16 7.995 7.112 -1.786 119 HG13 VAL 16 HG13 VAL 16 7.997 5.450 -1.197 120 HG21 VAL 16 HG21 VAL 16 8.761 6.240 1.083 121 HG22 VAL 16 HG22 VAL 16 8.670 7.888 0.461 122 HG23 VAL 16 HG23 VAL 16 10.165 7.301 1.192 123 H ASN 17 HN ASN 17 12.855 6.496 -1.178 124 HA ASN 17 HA ASN 17 13.089 6.217 -3.935 125 HB2 ASN 17 HB2 ASN 17 14.448 7.761 -2.564 126 HB3 ASN 17 HB1 ASN 17 15.314 6.388 -1.887 127 HD21 ASN 17 HD21 ASN 17 14.928 8.467 -4.600 128 HD22 ASN 17 HD22 ASN 17 16.285 7.894 -5.507 129 H ASP 18 HN ASP 18 14.272 4.123 -1.346 130 HA ASP 18 HA ASP 18 15.716 2.303 -2.913 131 HB2 ASP 18 HB2 ASP 18 15.551 2.635 -0.306 132 HB3 ASP 18 HB1 ASP 18 14.228 1.487 -0.435 133 H MET 19 HN MET 19 12.472 2.100 -1.498 134 HA MET 19 HA MET 19 11.677 -0.316 -2.576 135 HB2 MET 19 HB2 MET 19 10.452 0.848 -0.815 136 HB3 MET 19 HB1 MET 19 9.974 2.100 -1.953 137 HG2 MET 19 HG2 MET 19 8.710 0.443 -3.235 138 HG3 MET 19 HG1 MET 19 9.181 -0.802 -2.079 139 HE1 MET 19 HE1 MET 19 7.188 2.544 -2.595 140 HE2 MET 19 HE2 MET 19 8.269 2.937 -1.257 141 HE3 MET 19 HE3 MET 19 6.531 2.812 -0.980 142 H ILE 20 HN ILE 20 11.261 2.939 -3.970 143 HA ILE 20 HA ILE 20 9.831 2.145 -6.254 144 HB ILE 20 HB ILE 20 11.708 4.487 -5.898 145 HG12 ILE 20 HG12 ILE 20 8.687 4.309 -5.807 146 HG13 ILE 20 HG11 ILE 20 9.739 4.455 -4.402 147 HG21 ILE 20 HG21 ILE 20 11.480 3.995 -8.262 148 HG22 ILE 20 HG22 ILE 20 10.580 5.459 -7.866 149 HG23 ILE 20 HG23 ILE 20 9.723 3.936 -8.107 150 HD11 ILE 20 HD11 ILE 20 9.408 6.495 -6.593 151 HD12 ILE 20 HD12 ILE 20 10.489 6.641 -5.206 152 HD13 ILE 20 HD13 ILE 20 8.744 6.588 -4.961 153 H ALA 21 HN ALA 21 13.320 2.498 -5.705 154 HA ALA 21 HA ALA 21 14.094 1.815 -8.347 155 HB1 ALA 21 HB1 ALA 21 16.333 1.545 -7.430 156 HB2 ALA 21 HB2 ALA 21 15.677 1.558 -5.792 157 HB3 ALA 21 HB3 ALA 21 15.573 3.005 -6.794 158 H VAL 22 HN VAL 22 13.464 -0.046 -5.443 159 HA VAL 22 HA VAL 22 14.436 -2.533 -6.369 160 HB VAL 22 HB VAL 22 12.238 -2.022 -4.356 161 HG11 VAL 22 HG11 VAL 22 12.250 -4.313 -5.177 162 HG12 VAL 22 HG12 VAL 22 12.793 -4.239 -3.500 163 HG13 VAL 22 HG13 VAL 22 13.967 -4.451 -4.799 164 HG21 VAL 22 HG21 VAL 22 14.049 -2.339 -2.680 165 HG22 VAL 22 HG22 VAL 22 14.232 -0.875 -3.651 166 HG23 VAL 22 HG23 VAL 22 15.222 -2.300 -3.999 167 H LEU 23 HN LEU 23 11.213 -1.037 -6.506 168 HA LEU 23 HA LEU 23 9.965 -3.259 -7.763 169 HG LEU 23 HG LEU 23 7.648 -2.983 -6.966 170 HB2 LEU 23 HB2 LEU 23 9.241 -0.427 -7.255 171 HB3 LEU 23 HB1 LEU 23 8.379 -1.246 -8.545 172 HD11 LEU 23 HD11 LEU 23 7.984 -2.710 -4.573 173 HD12 LEU 23 HD12 LEU 23 9.008 -1.304 -4.866 174 HD13 LEU 23 HD13 LEU 23 9.526 -2.900 -5.409 175 HD21 LEU 23 HD21 LEU 23 7.049 -0.178 -6.045 176 HD22 LEU 23 HD22 LEU 23 6.088 -1.614 -5.687 177 HD23 LEU 23 HD23 LEU 23 6.235 -1.041 -7.349 178 H GLU 24 HN GLU 24 11.605 -0.394 -8.980 179 HA GLU 24 HA GLU 24 11.131 -0.832 -11.735 180 HB2 GLU 24 HB2 GLU 24 12.030 1.275 -10.748 181 HB3 GLU 24 HB1 GLU 24 13.534 0.443 -10.396 182 HG2 GLU 24 HG2 GLU 24 13.859 1.738 -12.352 183 HG3 GLU 24 HG1 GLU 24 13.809 0.045 -12.837 184 H LYS 25 HN LYS 25 13.259 -2.278 -9.420 185 HA LYS 25 HA LYS 25 15.073 -3.487 -11.272 186 HB2 LYS 25 HB2 LYS 25 15.506 -2.959 -8.819 187 HB3 LYS 25 HB1 LYS 25 14.517 -4.358 -8.435 188 HG2 LYS 25 HG2 LYS 25 16.112 -5.720 -9.839 189 HG3 LYS 25 HG1 LYS 25 17.155 -4.299 -9.871 190 HD2 LYS 25 HD2 LYS 25 16.238 -5.823 -7.434 191 HD3 LYS 25 HD1 LYS 25 17.870 -5.777 -8.100 192 HE2 LYS 25 HE2 LYS 25 16.392 -3.382 -7.018 193 HE3 LYS 25 HE1 LYS 25 17.556 -4.335 -6.100 194 HZ1 LYS 25 HZ1 LYS 25 18.158 -2.862 -8.612 195 HZ2 LYS 25 HZ2 LYS 25 19.271 -3.723 -7.663 196 HZ3 LYS 25 HZ3 LYS 25 18.534 -2.326 -7.050 197 H HIS 26 HN HIS 26 11.947 -4.289 -10.010 198 HA HIS 26 HA HIS 26 12.222 -7.092 -10.838 199 HD1 HIS 26 HD1 HIS 26 12.109 -8.889 -8.922 200 HD2 HIS 26 HD2 HIS 26 11.129 -5.476 -6.753 201 HE1 HIS 26 HE1 HIS 26 13.154 -9.199 -6.648 202 HE2 HIS 26 HE2 HIS 26 12.469 -7.169 -5.313 203 HB2 HIS 26 HB2 HIS 26 10.091 -5.676 -9.233 204 HB3 HIS 26 HB1 HIS 26 9.945 -7.342 -9.769 205 H LYS 27 HN LYS 27 10.474 -4.148 -11.518 206 HA LYS 27 HA LYS 27 9.118 -3.475 -13.192 207 HB2 LYS 27 HB2 LYS 27 11.151 -4.215 -14.490 208 HB3 LYS 27 HB1 LYS 27 10.313 -5.728 -14.807 209 HG2 LYS 27 HG2 LYS 27 10.134 -4.171 -16.679 210 HG3 LYS 27 HG1 LYS 27 8.555 -4.540 -15.982 211 HD2 LYS 27 HD2 LYS 27 8.411 -2.440 -14.930 212 HD3 LYS 27 HD1 LYS 27 10.131 -2.117 -15.159 213 HE2 LYS 27 HE2 LYS 27 8.071 -2.308 -17.353 214 HE3 LYS 27 HE1 LYS 27 8.738 -0.813 -16.700 215 HZ1 LYS 27 HZ1 LYS 27 10.968 -1.668 -17.381 216 HZ2 LYS 27 HZ2 LYS 27 9.928 -1.315 -18.670 217 HZ3 LYS 27 HZ3 LYS 27 10.179 -2.924 -18.210 218 H ALA 28 HN ALA 28 7.312 -4.216 -11.895 219 HA ALA 28 HA ALA 28 6.010 -6.638 -12.906 220 HB1 ALA 28 HB1 ALA 28 5.256 -4.884 -10.569 221 HB2 ALA 28 HB2 ALA 28 6.171 -6.387 -10.472 222 HB3 ALA 28 HB3 ALA 28 4.493 -6.410 -11.013 223 HA PRO 29 HA PRO 29 3.490 -4.313 -15.605 224 HB2 PRO 29 HB2 PRO 29 1.440 -6.011 -16.008 225 HB3 PRO 29 HB1 PRO 29 3.079 -6.361 -16.570 226 HG2 PRO 29 HG2 PRO 29 1.670 -7.344 -14.115 227 HG3 PRO 29 HG1 PRO 29 2.653 -8.255 -15.277 228 HD2 PRO 29 HD2 PRO 29 3.617 -7.386 -12.892 229 HD3 PRO 29 HD1 PRO 29 4.633 -7.560 -14.336 230 H VAL 30 HN VAL 30 3.031 -3.575 -12.820 231 HA VAL 30 HA VAL 30 1.681 -2.136 -11.706 232 HB VAL 30 HB VAL 30 -0.123 -2.284 -14.123 233 HG11 VAL 30 HG11 VAL 30 -1.367 -1.569 -12.164 234 HG12 VAL 30 HG12 VAL 30 -1.113 -0.208 -13.259 235 HG13 VAL 30 HG13 VAL 30 -0.134 -0.360 -11.801 236 HG21 VAL 30 HG21 VAL 30 0.861 -0.114 -14.705 237 HG22 VAL 30 HG22 VAL 30 2.081 -1.388 -14.648 238 HG23 VAL 30 HG23 VAL 30 1.941 -0.239 -13.316 239 H ASP 31 HN ASP 31 -0.280 -4.608 -13.337 240 HA ASP 31 HA ASP 31 -2.406 -4.716 -11.550 241 HB2 ASP 31 HB2 ASP 31 -2.242 -5.852 -13.791 242 HB3 ASP 31 HB1 ASP 31 -1.236 -7.078 -13.031 243 H LEU 32 HN LEU 32 0.365 -6.944 -11.654 244 HA LEU 32 HA LEU 32 -0.208 -8.169 -9.177 245 HG LEU 32 HG LEU 32 0.583 -9.187 -11.969 246 HB2 LEU 32 HB2 LEU 32 2.380 -8.024 -10.722 247 HB3 LEU 32 HB1 LEU 32 2.091 -9.082 -9.355 248 HD11 LEU 32 HD11 LEU 32 1.808 -11.265 -12.349 249 HD12 LEU 32 HD12 LEU 32 2.742 -10.982 -10.879 250 HD13 LEU 32 HD13 LEU 32 2.896 -9.880 -12.247 251 HD21 LEU 32 HD21 LEU 32 0.538 -11.004 -9.562 252 HD22 LEU 32 HD22 LEU 32 -0.279 -11.313 -11.094 253 HD23 LEU 32 HD23 LEU 32 -0.765 -9.941 -10.099 254 H SER 33 HN SER 33 1.565 -5.302 -10.040 255 HA SER 33 HA SER 33 3.101 -4.993 -7.706 256 HG SER 33 HG SER 33 3.880 -3.057 -10.618 257 HB2 SER 33 HB2 SER 33 1.949 -2.664 -9.232 258 HB3 SER 33 HB1 SER 33 3.531 -2.811 -8.467 259 H LEU 34 HN LEU 34 -0.192 -4.046 -8.548 260 HA LEU 34 HA LEU 34 -0.707 -2.613 -6.139 261 HG LEU 34 HG LEU 34 -1.286 -2.026 -9.138 262 HB2 LEU 34 HB2 LEU 34 -2.601 -3.849 -8.139 263 HB3 LEU 34 HB1 LEU 34 -3.087 -2.784 -6.835 264 HD11 LEU 34 HD11 LEU 34 -3.616 -2.361 -9.802 265 HD12 LEU 34 HD12 LEU 34 -3.156 -0.660 -9.877 266 HD13 LEU 34 HD13 LEU 34 -4.136 -1.251 -8.534 267 HD21 LEU 34 HD21 LEU 34 -1.476 0.246 -8.272 268 HD22 LEU 34 HD22 LEU 34 -0.734 -0.823 -7.080 269 HD23 LEU 34 HD23 LEU 34 -2.423 -0.344 -6.906 270 H ILE 35 HN ILE 35 -1.234 -5.939 -7.198 271 HA ILE 35 HA ILE 35 -2.757 -6.773 -4.971 272 HB ILE 35 HB ILE 35 -0.913 -8.496 -6.638 273 HG12 ILE 35 HG12 ILE 35 -3.847 -7.868 -7.057 274 HG13 ILE 35 HG11 ILE 35 -2.528 -7.205 -8.016 275 HG21 ILE 35 HG21 ILE 35 -1.664 -9.559 -4.578 276 HG22 ILE 35 HG22 ILE 35 -2.429 -10.310 -5.978 277 HG23 ILE 35 HG23 ILE 35 -3.339 -9.178 -4.977 278 HD11 ILE 35 HD11 ILE 35 -3.298 -10.106 -7.816 279 HD12 ILE 35 HD12 ILE 35 -1.947 -9.466 -8.752 280 HD13 ILE 35 HD13 ILE 35 -3.601 -9.030 -9.181 281 H ALA 36 HN ALA 36 0.733 -6.851 -5.612 282 HA ALA 36 HA ALA 36 1.552 -8.049 -3.224 283 HB1 ALA 36 HB1 ALA 36 3.736 -7.040 -3.679 284 HB2 ALA 36 HB2 ALA 36 3.004 -5.999 -4.898 285 HB3 ALA 36 HB3 ALA 36 3.039 -7.746 -5.137 286 H LEU 37 HN LEU 37 1.120 -4.634 -4.076 287 HA LEU 37 HA LEU 37 1.836 -3.506 -1.626 288 HG LEU 37 HG LEU 37 -0.371 -1.255 -1.535 289 HB2 LEU 37 HB2 LEU 37 1.522 -2.217 -3.684 290 HB3 LEU 37 HB1 LEU 37 -0.198 -2.547 -3.638 291 HD11 LEU 37 HD11 LEU 37 1.520 0.154 -0.845 292 HD12 LEU 37 HD12 LEU 37 2.539 -0.647 -2.042 293 HD13 LEU 37 HD13 LEU 37 1.881 -1.566 -0.688 294 HD21 LEU 37 HD21 LEU 37 0.899 0.221 -3.839 295 HD22 LEU 37 HD22 LEU 37 -0.054 0.953 -2.547 296 HD23 LEU 37 HD23 LEU 37 -0.812 -0.174 -3.671 297 H GLY 38 HN GLY 38 -1.291 -4.706 -2.782 298 HA2 GLY 38 HA2 GLY 38 -2.864 -3.960 -0.588 299 HA3 GLY 38 HA1 GLY 38 -3.193 -5.319 -1.653 300 H ASN 39 HN ASN 39 -1.271 -7.108 -1.203 301 HA ASN 39 HA ASN 39 -1.933 -8.243 1.285 302 HB2 ASN 39 HB2 ASN 39 0.373 -8.795 -0.591 303 HB3 ASN 39 HB1 ASN 39 0.035 -9.766 0.836 304 HD21 ASN 39 HD21 ASN 39 0.029 -10.438 -2.028 305 HD22 ASN 39 HD22 ASN 39 -1.535 -11.099 -2.345 306 H MET 40 HN MET 40 0.824 -6.313 0.261 307 HA MET 40 HA MET 40 2.404 -6.630 2.574 308 HB2 MET 40 HB2 MET 40 3.281 -5.838 0.427 309 HB3 MET 40 HB1 MET 40 2.323 -4.373 0.568 310 HG2 MET 40 HG2 MET 40 3.612 -3.747 2.564 311 HG3 MET 40 HG1 MET 40 4.595 -5.197 2.360 312 HE1 MET 40 HE1 MET 40 5.874 -2.299 2.572 313 HE2 MET 40 HE2 MET 40 7.074 -2.369 1.282 314 HE3 MET 40 HE3 MET 40 6.823 -3.766 2.328 315 H ALA 41 HN ALA 41 0.258 -3.950 1.592 316 HA ALA 41 HA ALA 41 0.693 -2.374 3.880 317 HB1 ALA 41 HB1 ALA 41 -0.232 -1.496 1.784 318 HB2 ALA 41 HB2 ALA 41 -1.256 -1.104 3.165 319 HB3 ALA 41 HB3 ALA 41 -1.720 -2.403 2.066 320 H SER 42 HN SER 42 -1.898 -4.682 3.112 321 HA SER 42 HA SER 42 -3.413 -4.212 5.441 322 HG SER 42 HG SER 42 -5.687 -5.739 4.795 323 HB2 SER 42 HB2 SER 42 -4.203 -5.365 3.334 324 HB3 SER 42 HB1 SER 42 -3.310 -6.792 3.858 325 H ASN 43 HN ASN 43 -0.819 -6.485 4.704 326 HA ASN 43 HA ASN 43 -1.027 -8.133 6.957 327 HB2 ASN 43 HB2 ASN 43 0.399 -8.396 4.814 328 HB3 ASN 43 HB1 ASN 43 1.602 -7.439 5.669 329 HD21 ASN 43 HD21 ASN 43 1.681 -10.184 4.726 330 HD22 ASN 43 HD22 ASN 43 2.038 -11.165 6.105 331 H LEU 44 HN LEU 44 0.873 -5.180 6.433 332 HA LEU 44 HA LEU 44 2.137 -5.244 8.979 333 HG LEU 44 HG LEU 44 3.047 -4.639 5.996 334 HB2 LEU 44 HB2 LEU 44 1.704 -2.928 7.090 335 HB3 LEU 44 HB1 LEU 44 2.791 -2.923 8.468 336 HD11 LEU 44 HD11 LEU 44 4.712 -2.350 7.028 337 HD12 LEU 44 HD12 LEU 44 3.639 -2.314 5.628 338 HD13 LEU 44 HD13 LEU 44 5.076 -3.336 5.611 339 HD21 LEU 44 HD21 LEU 44 3.771 -5.832 8.006 340 HD22 LEU 44 HD22 LEU 44 4.826 -4.481 8.426 341 HD23 LEU 44 HD23 LEU 44 5.137 -5.421 6.967 342 H LEU 45 HN LEU 45 -0.797 -3.757 7.746 343 HA LEU 45 HA LEU 45 -1.238 -2.159 10.084 344 HG LEU 45 HG LEU 45 -1.210 -1.326 7.165 345 HB2 LEU 45 HB2 LEU 45 -3.027 -2.885 7.768 346 HB3 LEU 45 HB1 LEU 45 -3.511 -1.808 9.062 347 HD11 LEU 45 HD11 LEU 45 -3.951 -0.079 7.298 348 HD12 LEU 45 HD12 LEU 45 -3.353 -1.158 6.038 349 HD13 LEU 45 HD13 LEU 45 -2.637 0.439 6.243 350 HD21 LEU 45 HD21 LEU 45 -1.160 0.908 8.153 351 HD22 LEU 45 HD22 LEU 45 -0.840 -0.335 9.362 352 HD23 LEU 45 HD23 LEU 45 -2.424 0.436 9.289 353 H THR 46 HN THR 46 -1.736 -5.451 9.386 354 HA THR 46 HA THR 46 -3.781 -5.601 11.499 355 HB THR 46 HB THR 46 -4.079 -7.991 10.674 356 HG1 THR 46 HG1 THR 46 -2.825 -7.009 8.316 357 HG21 THR 46 HG21 THR 46 -5.496 -7.300 8.786 358 HG22 THR 46 HG22 THR 46 -4.720 -5.716 8.796 359 HG23 THR 46 HG23 THR 46 -5.689 -6.232 10.176 360 H THR 47 HN THR 47 -0.605 -5.586 11.449 361 HA THR 47 HA THR 47 -0.397 -7.738 13.444 362 HB THR 47 HB THR 47 2.045 -7.906 12.737 363 HG1 THR 47 HG1 THR 47 1.206 -6.967 10.219 364 HG21 THR 47 HG21 THR 47 -0.081 -8.768 10.772 365 HG22 THR 47 HG22 THR 47 0.394 -9.639 12.230 366 HG23 THR 47 HG23 THR 47 1.542 -9.448 10.905 367 H SER 48 HN SER 48 0.947 -4.597 12.393 368 HA SER 48 HA SER 48 2.501 -4.455 14.844 369 HG SER 48 HG SER 48 4.414 -2.865 14.462 370 HB2 SER 48 HB2 SER 48 3.454 -3.739 12.652 371 HB3 SER 48 HB1 SER 48 2.295 -2.410 12.629 372 H VAL 49 HN VAL 49 0.070 -2.381 13.252 373 HA VAL 49 HA VAL 49 -0.190 -0.726 15.580 374 HB VAL 49 HB VAL 49 -2.023 0.377 14.323 375 HG11 VAL 49 HG11 VAL 49 0.288 1.104 14.038 376 HG12 VAL 49 HG12 VAL 49 -0.620 1.281 12.537 377 HG13 VAL 49 HG13 VAL 49 0.503 -0.065 12.736 378 HG21 VAL 49 HG21 VAL 49 -2.481 -0.275 12.018 379 HG22 VAL 49 HG22 VAL 49 -2.876 -1.583 13.133 380 HG23 VAL 49 HG23 VAL 49 -1.392 -1.651 12.183 381 HA PRO 50 HA PRO 50 -3.390 -2.511 18.028 382 HB2 PRO 50 HB2 PRO 50 -5.176 -0.263 17.199 383 HB3 PRO 50 HB1 PRO 50 -4.823 -0.881 18.817 384 HG2 PRO 50 HG2 PRO 50 -3.700 1.371 17.937 385 HG3 PRO 50 HG1 PRO 50 -2.795 0.227 18.945 386 HD2 PRO 50 HD2 PRO 50 -2.569 0.780 16.036 387 HD3 PRO 50 HD1 PRO 50 -1.328 0.245 17.187 388 H GLN 51 HN GLN 51 -4.475 -4.260 17.439 389 HA GLN 51 HA GLN 51 -5.333 -4.596 14.748 390 HB2 GLN 51 HB2 GLN 51 -5.568 -6.382 17.164 391 HB3 GLN 51 HB1 GLN 51 -6.076 -6.858 15.547 392 HG2 GLN 51 HG2 GLN 51 -3.791 -6.502 14.737 393 HG3 GLN 51 HG1 GLN 51 -3.291 -6.071 16.371 394 HE21 GLN 51 HE21 GLN 51 -1.811 -7.758 16.423 395 HE22 GLN 51 HE22 GLN 51 -2.301 -9.407 16.604 396 H THR 52 HN THR 52 -6.935 -3.614 17.617 397 HA THR 52 HA THR 52 -9.577 -4.191 16.608 398 HB THR 52 HB THR 52 -10.278 -2.814 18.620 399 HG1 THR 52 HG1 THR 52 -8.748 -1.978 19.893 400 HG21 THR 52 HG21 THR 52 -9.635 -4.589 20.195 401 HG22 THR 52 HG22 THR 52 -8.436 -5.163 19.031 402 HG23 THR 52 HG23 THR 52 -10.151 -5.247 18.641 403 H GLN 53 HN GLN 53 -7.244 -1.804 16.211 404 HA GLN 53 HA GLN 53 -9.222 0.153 15.279 405 HB2 GLN 53 HB2 GLN 53 -6.303 0.468 15.998 406 HB3 GLN 53 HB1 GLN 53 -7.293 1.748 15.310 407 HG2 GLN 53 HG2 GLN 53 -8.730 1.741 17.233 408 HG3 GLN 53 HG1 GLN 53 -7.887 0.346 17.903 409 HE21 GLN 53 HE21 GLN 53 -7.419 1.492 19.785 410 HE22 GLN 53 HE22 GLN 53 -6.182 2.701 19.830 411 H CYS 54 HN CYS 54 -7.622 -2.378 14.108 412 HA CYS 54 HA CYS 54 -6.114 -1.525 11.933 413 HG CYS 54 HG CYS 54 -4.451 -3.674 12.261 414 HB2 CYS 54 HB2 CYS 54 -7.858 -3.962 12.254 415 HB3 CYS 54 HB1 CYS 54 -6.862 -3.696 10.830 416 H GLU 55 HN GLU 55 -9.605 -2.046 12.108 417 HA GLU 55 HA GLU 55 -10.153 -1.566 9.392 418 HB2 GLU 55 HB2 GLU 55 -11.987 -1.100 11.747 419 HB3 GLU 55 HB1 GLU 55 -12.468 -1.378 10.078 420 HG2 GLU 55 HG2 GLU 55 -11.527 -3.636 10.193 421 HG3 GLU 55 HG1 GLU 55 -11.081 -3.355 11.875 422 H ALA 56 HN ALA 56 -10.170 0.566 12.218 423 HA ALA 56 HA ALA 56 -11.146 2.850 10.842 424 HB1 ALA 56 HB1 ALA 56 -10.538 4.085 12.852 425 HB2 ALA 56 HB2 ALA 56 -9.610 2.703 13.435 426 HB3 ALA 56 HB3 ALA 56 -11.360 2.581 13.264 427 H LEU 57 HN LEU 57 -7.897 1.739 11.723 428 HA LEU 57 HA LEU 57 -6.560 4.056 10.779 429 HG LEU 57 HG LEU 57 -6.252 2.410 13.316 430 HB2 LEU 57 HB2 LEU 57 -5.567 1.250 11.253 431 HB3 LEU 57 HB1 LEU 57 -4.527 2.603 10.846 432 HD11 LEU 57 HD11 LEU 57 -4.132 2.186 14.512 433 HD12 LEU 57 HD12 LEU 57 -3.268 2.160 12.973 434 HD13 LEU 57 HD13 LEU 57 -4.381 0.855 13.381 435 HD21 LEU 57 HD21 LEU 57 -4.223 4.480 12.479 436 HD22 LEU 57 HD22 LEU 57 -5.053 4.419 14.035 437 HD23 LEU 57 HD23 LEU 57 -5.970 4.709 12.558 438 H ALA 58 HN ALA 58 -7.403 0.968 9.284 439 HA ALA 58 HA ALA 58 -6.065 1.363 6.841 440 HB1 ALA 58 HB1 ALA 58 -8.629 -0.143 7.365 441 HB2 ALA 58 HB2 ALA 58 -6.997 -0.803 7.483 442 HB3 ALA 58 HB3 ALA 58 -7.627 -0.284 5.920 443 H GLN 59 HN GLN 59 -9.349 2.205 7.888 444 HA GLN 59 HA GLN 59 -10.216 3.450 5.539 445 HB2 GLN 59 HB2 GLN 59 -10.934 3.835 8.435 446 HB3 GLN 59 HB1 GLN 59 -11.674 4.817 7.178 447 HG2 GLN 59 HG2 GLN 59 -11.760 1.810 7.270 448 HG3 GLN 59 HG1 GLN 59 -13.033 2.875 7.867 449 HE21 GLN 59 HE21 GLN 59 -13.113 0.875 5.753 450 HE22 GLN 59 HE22 GLN 59 -13.608 1.704 4.321 451 H ALA 60 HN ALA 60 -8.504 4.775 8.346 452 HA ALA 60 HA ALA 60 -8.453 7.455 7.515 453 HB1 ALA 60 HB1 ALA 60 -6.621 7.733 9.106 454 HB2 ALA 60 HB2 ALA 60 -6.436 5.981 9.209 455 HB3 ALA 60 HB3 ALA 60 -7.912 6.747 9.795 456 H PHE 61 HN PHE 61 -6.186 4.800 6.962 457 HA PHE 61 HA PHE 61 -4.221 6.289 5.596 458 HD1 PHE 61 HD1 PHE 61 -1.657 4.949 6.018 459 HD2 PHE 61 HD2 PHE 61 -4.053 3.029 3.065 460 HE1 PHE 61 HE1 PHE 61 0.319 4.708 4.571 461 HE2 PHE 61 HE2 PHE 61 -2.082 2.786 1.618 462 HZ PHE 61 HZ PHE 61 0.106 3.625 2.368 463 HB2 PHE 61 HB2 PHE 61 -3.867 4.023 6.559 464 HB3 PHE 61 HB1 PHE 61 -4.888 3.350 5.295 465 H SER 62 HN SER 62 -6.828 4.198 4.335 466 HA SER 62 HA SER 62 -6.196 4.646 1.636 467 HG SER 62 HG SER 62 -9.833 3.264 2.785 468 HB2 SER 62 HB2 SER 62 -8.441 3.701 1.168 469 HB3 SER 62 HB1 SER 62 -7.517 2.727 2.310 470 H ASN 63 HN ASN 63 -8.625 6.192 3.738 471 HA ASN 63 HA ASN 63 -9.721 7.869 1.771 472 HB2 ASN 63 HB2 ASN 63 -9.680 7.943 4.756 473 HB3 ASN 63 HB1 ASN 63 -10.235 9.365 3.879 474 HD21 ASN 63 HD21 ASN 63 -10.871 6.052 4.670 475 HD22 ASN 63 HD22 ASN 63 -12.501 6.014 4.090 476 H SER 64 HN SER 64 -6.844 8.221 3.740 477 HA SER 64 HA SER 64 -6.399 10.956 3.179 478 HG SER 64 HG SER 64 -4.551 11.670 4.273 479 HB2 SER 64 HB2 SER 64 -5.234 9.521 4.956 480 HB3 SER 64 HB1 SER 64 -4.216 8.918 3.647 481 H LEU 65 HN LEU 65 -5.566 7.961 1.522 482 HA LEU 65 HA LEU 65 -4.107 9.216 -0.583 483 HG LEU 65 HG LEU 65 -2.999 5.733 -0.774 484 HB2 LEU 65 HB2 LEU 65 -5.255 6.503 -0.128 485 HB3 LEU 65 HB1 LEU 65 -4.817 6.956 -1.764 486 HD11 LEU 65 HD11 LEU 65 -1.192 7.360 -1.013 487 HD12 LEU 65 HD12 LEU 65 -2.367 8.675 -0.927 488 HD13 LEU 65 HD13 LEU 65 -2.408 7.540 -2.277 489 HD21 LEU 65 HD21 LEU 65 -3.468 6.107 1.578 490 HD22 LEU 65 HD22 LEU 65 -3.026 7.807 1.416 491 HD23 LEU 65 HD23 LEU 65 -1.803 6.553 1.204 492 H ILE 66 HN ILE 66 -7.479 8.223 -0.157 493 HA ILE 66 HA ILE 66 -8.383 8.796 -2.755 494 HB ILE 66 HB ILE 66 -10.022 9.229 -0.252 495 HG12 ILE 66 HG12 ILE 66 -9.021 7.031 -0.060 496 HG13 ILE 66 HG11 ILE 66 -10.719 6.855 -0.483 497 HG21 ILE 66 HG21 ILE 66 -10.795 8.443 -3.060 498 HG22 ILE 66 HG22 ILE 66 -11.059 10.014 -2.301 499 HG23 ILE 66 HG23 ILE 66 -11.900 8.587 -1.694 500 HD11 ILE 66 HD11 ILE 66 -10.097 6.427 -2.801 501 HD12 ILE 66 HD12 ILE 66 -9.337 5.279 -1.696 502 HD13 ILE 66 HD13 ILE 66 -8.395 6.607 -2.374 503 H ASN 67 HN ASN 67 -8.222 10.832 0.150 504 HA ASN 67 HA ASN 67 -9.226 13.187 -1.022 505 HB2 ASN 67 HB2 ASN 67 -9.085 12.918 1.398 506 HB3 ASN 67 HB1 ASN 67 -7.327 12.843 1.312 507 HD21 ASN 67 HD21 ASN 67 -6.170 14.701 1.240 508 HD22 ASN 67 HD22 ASN 67 -6.877 16.289 1.291 509 H ALA 68 HN ALA 68 -5.994 11.813 -0.892 510 HA ALA 68 HA ALA 68 -4.591 14.019 -1.944 511 HB1 ALA 68 HB1 ALA 68 -3.463 12.117 -0.897 512 HB2 ALA 68 HB2 ALA 68 -2.843 12.420 -2.520 513 HB3 ALA 68 HB3 ALA 68 -3.959 11.083 -2.237 514 H VAL 69 HN VAL 69 -6.222 11.276 -3.492 515 HA VAL 69 HA VAL 69 -5.589 11.924 -6.155 516 HB VAL 69 HB VAL 69 -8.057 10.525 -5.092 517 HG11 VAL 69 HG11 VAL 69 -8.284 9.590 -7.339 518 HG12 VAL 69 HG12 VAL 69 -6.917 10.561 -7.886 519 HG13 VAL 69 HG13 VAL 69 -8.405 11.349 -7.365 520 HG21 VAL 69 HG21 VAL 69 -5.447 9.422 -6.129 521 HG22 VAL 69 HG22 VAL 69 -6.861 8.463 -5.687 522 HG23 VAL 69 HG23 VAL 69 -6.005 9.391 -4.456 523 H LYS 70 HN LYS 70 -8.270 12.921 -4.062 524 HA LYS 70 HA LYS 70 -9.741 14.396 -5.938 525 HB2 LYS 70 HB2 LYS 70 -9.417 15.067 -3.008 526 HB3 LYS 70 HB1 LYS 70 -10.750 15.533 -4.052 527 HG2 LYS 70 HG2 LYS 70 -10.070 12.730 -3.189 528 HG3 LYS 70 HG1 LYS 70 -11.382 13.726 -2.562 529 HD2 LYS 70 HD2 LYS 70 -12.409 13.765 -4.790 530 HD3 LYS 70 HD1 LYS 70 -11.095 12.757 -5.405 531 HE2 LYS 70 HE2 LYS 70 -11.726 10.975 -3.873 532 HE3 LYS 70 HE1 LYS 70 -13.010 11.984 -3.207 533 HZ1 LYS 70 HZ1 LYS 70 -12.836 10.964 -5.996 534 HZ2 LYS 70 HZ2 LYS 70 -14.046 12.008 -5.412 535 HZ3 LYS 70 HZ3 LYS 70 -13.908 10.437 -4.789 536 H THR 71 HN THR 71 -7.029 15.303 -3.878 537 HA THR 71 HA THR 71 -7.041 18.065 -4.604 538 HB THR 71 HB THR 71 -4.723 16.488 -3.457 539 HG1 THR 71 HG1 THR 71 -6.894 16.463 -2.293 540 HG21 THR 71 HG21 THR 71 -5.448 19.413 -3.272 541 HG22 THR 71 HG22 THR 71 -4.161 18.734 -4.267 542 HG23 THR 71 HG23 THR 71 -4.058 18.643 -2.508 543 H ARG 72 HN ARG 72 -5.458 15.182 -5.830 544 HA ARG 72 HA ARG 72 -3.686 16.619 -7.571 545 HE ARG 72 HE ARG 72 -0.331 15.865 -5.321 546 HB2 ARG 72 HB2 ARG 72 -4.413 13.710 -7.297 547 HB3 ARG 72 HB1 ARG 72 -3.341 14.288 -8.566 548 HG2 ARG 72 HG2 ARG 72 -2.857 14.715 -5.622 549 HG3 ARG 72 HG1 ARG 72 -2.167 13.391 -6.568 550 HD2 ARG 72 HD2 ARG 72 -1.066 15.002 -8.029 551 HD3 ARG 72 HD1 ARG 72 -1.782 16.331 -7.120 552 HH11 ARG 72 HH11 ARG 72 0.217 13.785 -8.081 553 HH12 ARG 72 HH12 ARG 72 1.807 13.306 -7.584 554 HH21 ARG 72 HH21 ARG 72 1.805 15.294 -4.685 555 HH22 ARG 72 HH22 ARG 72 2.726 14.182 -5.656 556 H LEU 73 HN LEU 73 -6.950 15.667 -7.703 557 HA LEU 73 HA LEU 73 -7.114 15.699 -10.599 558 HG LEU 73 HG LEU 73 -10.171 16.397 -10.628 559 HB2 LEU 73 HB2 LEU 73 -8.566 14.204 -9.312 560 HB3 LEU 73 HB1 LEU 73 -9.256 15.578 -8.469 561 HD11 LEU 73 HD11 LEU 73 -8.600 15.353 -12.148 562 HD12 LEU 73 HD12 LEU 73 -10.248 14.849 -12.529 563 HD13 LEU 73 HD13 LEU 73 -9.167 13.753 -11.669 564 HD21 LEU 73 HD21 LEU 73 -10.982 13.603 -9.835 565 HD22 LEU 73 HD22 LEU 73 -11.955 14.728 -10.783 566 HD23 LEU 73 HD23 LEU 73 -11.559 15.102 -9.106 567 H GLU 74 HN GLU 74 -8.317 17.660 -7.897 568 HA GLU 74 HA GLU 74 -9.209 19.764 -9.663 569 HB2 GLU 74 HB2 GLU 74 -10.475 19.227 -7.635 570 HB3 GLU 74 HB1 GLU 74 -9.075 19.610 -6.644 571 HG2 GLU 74 HG2 GLU 74 -9.185 21.937 -7.457 572 HG3 GLU 74 HG1 GLU 74 -10.657 21.526 -8.340 573 H HIS 75 HN HIS 75 -7.943 21.358 -10.392 574 HA HIS 75 HA HIS 75 -5.485 21.937 -8.869 575 HD1 HIS 75 HD1 HIS 75 -5.545 20.140 -13.124 576 HD2 HIS 75 HD2 HIS 75 -3.775 19.961 -9.364 577 HE1 HIS 75 HE1 HIS 75 -4.558 17.832 -12.944 578 HE2 HIS 75 HE2 HIS 75 -3.737 17.676 -10.569 579 HB2 HIS 75 HB2 HIS 75 -5.891 22.212 -11.855 580 HB3 HIS 75 HB1 HIS 75 -4.414 22.588 -10.975 581 H HIS 76 HN HIS 76 -6.435 23.849 -11.609 582 HA HIS 76 HA HIS 76 -6.871 26.108 -9.785 583 HD1 HIS 76 HD1 HIS 76 -3.821 26.871 -13.288 584 HD2 HIS 76 HD2 HIS 76 -4.574 26.345 -9.229 585 HE1 HIS 76 HE1 HIS 76 -1.567 26.908 -12.165 586 HE2 HIS 76 HE2 HIS 76 -2.036 26.468 -9.724 587 HB2 HIS 76 HB2 HIS 76 -6.220 26.059 -12.740 588 HB3 HIS 76 HB1 HIS 76 -6.527 27.524 -11.814 589 H HIS 77 HN HIS 77 -8.663 27.414 -9.929 590 HA HIS 77 HA HIS 77 -11.008 26.153 -11.064 591 HD1 HIS 77 HD1 HIS 77 -12.289 30.375 -9.797 592 HD2 HIS 77 HD2 HIS 77 -8.692 28.761 -8.451 593 HE1 HIS 77 HE1 HIS 77 -10.923 32.329 -8.981 594 HE2 HIS 77 HE2 HIS 77 -8.675 31.348 -8.391 595 HB2 HIS 77 HB2 HIS 77 -12.284 27.918 -9.914 596 HB3 HIS 77 HB1 HIS 77 -11.174 27.110 -8.817 597 H HIS 78 HN HIS 78 -11.348 26.398 -13.164 598 HA HIS 78 HA HIS 78 -10.783 28.998 -14.412 599 HD1 HIS 78 HD1 HIS 78 -12.702 27.226 -17.704 600 HD2 HIS 78 HD2 HIS 78 -9.029 29.122 -17.171 601 HE1 HIS 78 HE1 HIS 78 -12.317 28.571 -19.793 602 HE2 HIS 78 HE2 HIS 78 -10.144 29.778 -19.412 603 HB2 HIS 78 HB2 HIS 78 -9.742 27.002 -15.445 604 HB3 HIS 78 HB1 HIS 78 -11.341 26.322 -15.715 605 H HIS 79 HN HIS 79 -13.301 26.547 -14.058 606 HA HIS 79 HA HIS 79 -15.191 28.033 -15.630 607 HD1 HIS 79 HD1 HIS 79 -17.813 25.652 -13.005 608 HD2 HIS 79 HD2 HIS 79 -13.848 24.418 -13.244 609 HE1 HIS 79 HE1 HIS 79 -17.426 24.209 -10.978 610 HE2 HIS 79 HE2 HIS 79 -14.987 23.566 -11.080 611 HB2 HIS 79 HB2 HIS 79 -16.740 26.241 -15.194 612 HB3 HIS 79 HB1 HIS 79 -15.168 25.541 -15.552 613 H HIS 80 HN HIS 80 -14.074 29.001 -12.868 614 HA HIS 80 HA HIS 80 -16.426 30.425 -12.168 615 HD1 HIS 80 HD1 HIS 80 -15.774 30.215 -8.148 616 HD2 HIS 80 HD2 HIS 80 -19.116 29.742 -10.573 617 HE1 HIS 80 HE1 HIS 80 -17.637 31.429 -6.978 618 HE2 HIS 80 HE2 HIS 80 -19.602 31.278 -8.551 619 HB2 HIS 80 HB2 HIS 80 -16.833 28.172 -11.070 620 HB3 HIS 80 HB1 HIS 80 -15.449 28.517 -10.037 621 HA MET 1 HA MET 1 -4.074 -23.493 -19.345 622 H1 MET 1 HT1 MET 1 -4.120 -25.106 -21.138 623 H2 MET 1 HT2 MET 1 -3.808 -23.883 -22.271 624 H3 MET 1 HT3 MET 1 -5.252 -23.869 -21.386 625 HB2 MET 1 HB2 MET 1 -1.602 -23.377 -21.096 626 HB3 MET 1 HB1 MET 1 -1.657 -23.025 -19.377 627 HG2 MET 1 HG2 MET 1 -0.754 -25.197 -19.618 628 HG3 MET 1 HG1 MET 1 -2.396 -25.389 -19.009 629 HE1 MET 1 HE1 MET 1 -1.939 -28.551 -21.281 630 HE2 MET 1 HE2 MET 1 -2.383 -27.965 -19.678 631 HE3 MET 1 HE3 MET 1 -0.726 -27.783 -20.257 632 H ALA 2 HN ALA 2 -2.333 -21.926 -21.998 633 HA ALA 2 HA ALA 2 -2.435 -19.894 -22.950 634 HB1 ALA 2 HB1 ALA 2 -5.237 -19.748 -21.853 635 HB2 ALA 2 HB2 ALA 2 -4.771 -20.494 -23.383 636 HB3 ALA 2 HB3 ALA 2 -4.560 -18.759 -23.148 637 H GLN 3 HN GLN 3 -4.517 -19.048 -20.187 638 HA GLN 3 HA GLN 3 -2.627 -16.848 -19.721 639 HB2 GLN 3 HB2 GLN 3 -5.611 -16.991 -19.333 640 HB3 GLN 3 HB1 GLN 3 -4.623 -15.667 -18.733 641 HG2 GLN 3 HG2 GLN 3 -4.886 -16.481 -21.620 642 HG3 GLN 3 HG1 GLN 3 -5.705 -15.121 -20.854 643 HE21 GLN 3 HE21 GLN 3 -2.707 -16.337 -22.091 644 HE22 GLN 3 HE22 GLN 3 -1.827 -14.848 -22.007 645 H HIS 4 HN HIS 4 -1.339 -17.990 -18.250 646 HA HIS 4 HA HIS 4 -2.355 -17.572 -15.564 647 HD1 HIS 4 HD1 HIS 4 -3.478 -19.081 -13.602 648 HD2 HIS 4 HD2 HIS 4 0.351 -20.691 -13.882 649 HE1 HIS 4 HE1 HIS 4 -2.768 -19.567 -11.239 650 HE2 HIS 4 HE2 HIS 4 -0.377 -20.337 -11.419 651 HB2 HIS 4 HB2 HIS 4 -2.698 -20.018 -16.056 652 HB3 HIS 4 HB1 HIS 4 -0.952 -20.170 -16.232 653 H SER 5 HN SER 5 0.049 -17.363 -17.872 654 HA SER 5 HA SER 5 2.385 -17.427 -16.290 655 HG SER 5 HG SER 5 1.817 -15.321 -19.615 656 HB2 SER 5 HB2 SER 5 3.267 -15.984 -18.257 657 HB3 SER 5 HB1 SER 5 2.718 -17.623 -18.612 658 H LYS 6 HN LYS 6 0.323 -14.770 -17.395 659 HA LYS 6 HA LYS 6 1.727 -12.653 -16.217 660 HB2 LYS 6 HB2 LYS 6 -1.258 -12.818 -16.671 661 HB3 LYS 6 HB1 LYS 6 -0.301 -11.353 -16.510 662 HG2 LYS 6 HG2 LYS 6 0.828 -11.829 -18.600 663 HG3 LYS 6 HG1 LYS 6 -0.050 -13.354 -18.746 664 HD2 LYS 6 HD2 LYS 6 -2.171 -12.088 -18.793 665 HD3 LYS 6 HD1 LYS 6 -1.247 -10.584 -18.738 666 HE2 LYS 6 HE2 LYS 6 -0.154 -11.191 -20.846 667 HE3 LYS 6 HE1 LYS 6 -1.099 -12.680 -20.903 668 HZ1 LYS 6 HZ1 LYS 6 -2.150 -9.904 -21.028 669 HZ2 LYS 6 HZ2 LYS 6 -3.118 -11.292 -20.938 670 HZ3 LYS 6 HZ3 LYS 6 -2.123 -11.040 -22.289 671 H TYR 7 HN TYR 7 -0.833 -14.738 -15.002 672 HA TYR 7 HA TYR 7 -0.722 -13.338 -12.438 673 HD1 TYR 7 HD2 TYR 7 -2.668 -12.001 -11.586 674 HD2 TYR 7 HD1 TYR 7 -3.848 -13.737 -15.283 675 HE1 TYR 7 HE2 TYR 7 -3.678 -9.870 -12.254 676 HE2 TYR 7 HE1 TYR 7 -4.866 -11.605 -15.965 677 HH TYR 7 HH TYR 7 -4.422 -8.681 -14.111 678 HB2 TYR 7 HB2 TYR 7 -2.857 -15.084 -13.657 679 HB3 TYR 7 HB1 TYR 7 -2.889 -14.557 -11.974 680 H SER 8 HN SER 8 1.410 -14.658 -12.512 681 HA SER 8 HA SER 8 1.050 -17.247 -11.266 682 HG SER 8 HG SER 8 2.696 -16.425 -13.800 683 HB2 SER 8 HB2 SER 8 3.552 -15.676 -11.905 684 HB3 SER 8 HB1 SER 8 3.519 -17.306 -11.237 685 H ASP 9 HN ASP 9 0.312 -17.078 -9.232 686 HA ASP 9 HA ASP 9 0.921 -14.968 -7.461 687 HB2 ASP 9 HB2 ASP 9 0.051 -16.400 -5.682 688 HB3 ASP 9 HB1 ASP 9 -0.988 -16.505 -7.098 689 H ALA 10 HN ALA 10 2.755 -17.546 -8.630 690 HA ALA 10 HA ALA 10 4.602 -17.786 -6.446 691 HB1 ALA 10 HB1 ALA 10 4.950 -18.471 -9.370 692 HB2 ALA 10 HB2 ALA 10 4.384 -19.569 -8.111 693 HB3 ALA 10 HB3 ALA 10 6.034 -18.949 -8.065 694 H GLN 11 HN GLN 11 4.363 -15.910 -9.423 695 HA GLN 11 HA GLN 11 6.849 -14.541 -9.107 696 HB2 GLN 11 HB2 GLN 11 4.352 -13.788 -10.643 697 HB3 GLN 11 HB1 GLN 11 5.871 -12.909 -10.734 698 HG2 GLN 11 HG2 GLN 11 5.684 -15.826 -11.397 699 HG3 GLN 11 HG1 GLN 11 5.338 -14.575 -12.583 700 HE21 GLN 11 HE21 GLN 11 7.802 -14.221 -10.119 701 HE22 GLN 11 HE22 GLN 11 9.149 -14.305 -11.195 702 H LEU 12 HN LEU 12 3.497 -13.847 -8.231 703 HA LEU 12 HA LEU 12 3.854 -11.305 -7.138 704 HG LEU 12 HG LEU 12 2.132 -11.514 -4.657 705 HB2 LEU 12 HB2 LEU 12 1.643 -12.293 -7.531 706 HB3 LEU 12 HB1 LEU 12 1.931 -13.463 -6.256 707 HD11 LEU 12 HD11 LEU 12 2.572 -9.774 -6.291 708 HD12 LEU 12 HD12 LEU 12 1.133 -9.396 -5.343 709 HD13 LEU 12 HD13 LEU 12 0.971 -10.007 -6.991 710 HD21 LEU 12 HD21 LEU 12 -0.502 -11.905 -6.068 711 HD22 LEU 12 HD22 LEU 12 -0.289 -11.187 -4.468 712 HD23 LEU 12 HD23 LEU 12 0.130 -12.883 -4.744 713 H SER 13 HN SER 13 3.889 -14.467 -5.484 714 HA SER 13 HA SER 13 4.366 -13.570 -2.913 715 HG SER 13 HG SER 13 3.127 -15.991 -4.320 716 HB2 SER 13 HB2 SER 13 5.363 -16.129 -4.185 717 HB3 SER 13 HB1 SER 13 5.261 -15.821 -2.452 718 H ALA 14 HN ALA 14 6.731 -14.329 -5.452 719 HA ALA 14 HA ALA 14 9.045 -13.931 -3.928 720 HB1 ALA 14 HB1 ALA 14 8.655 -13.423 -6.876 721 HB2 ALA 14 HB2 ALA 14 9.053 -14.975 -6.138 722 HB3 ALA 14 HB3 ALA 14 10.200 -13.639 -6.051 723 H ILE 15 HN ILE 15 7.005 -11.634 -5.682 724 HA ILE 15 HA ILE 15 8.803 -9.439 -5.326 725 HB ILE 15 HB ILE 15 5.888 -9.470 -6.119 726 HG12 ILE 15 HG12 ILE 15 8.432 -9.188 -7.735 727 HG13 ILE 15 HG11 ILE 15 7.365 -10.588 -7.720 728 HG21 ILE 15 HG21 ILE 15 7.874 -7.199 -6.223 729 HG22 ILE 15 HG22 ILE 15 6.490 -7.316 -5.137 730 HG23 ILE 15 HG23 ILE 15 6.235 -7.167 -6.876 731 HD11 ILE 15 HD11 ILE 15 5.589 -9.245 -8.713 732 HD12 ILE 15 HD12 ILE 15 7.042 -9.240 -9.712 733 HD13 ILE 15 HD13 ILE 15 6.652 -7.839 -8.715 734 H VAL 16 HN VAL 16 5.780 -10.457 -3.714 735 HA VAL 16 HA VAL 16 5.631 -8.189 -2.014 736 HB VAL 16 HB VAL 16 4.525 -10.843 -1.147 737 HG11 VAL 16 HG11 VAL 16 4.280 -8.833 0.273 738 HG12 VAL 16 HG12 VAL 16 2.734 -9.488 -0.267 739 HG13 VAL 16 HG13 VAL 16 3.397 -8.047 -1.040 740 HG21 VAL 16 HG21 VAL 16 4.005 -10.705 -3.526 741 HG22 VAL 16 HG22 VAL 16 3.328 -9.093 -3.291 742 HG23 VAL 16 HG23 VAL 16 2.556 -10.492 -2.544 743 H ASN 17 HN ASN 17 7.083 -11.386 -1.643 744 HA ASN 17 HA ASN 17 7.890 -11.072 1.055 745 HB2 ASN 17 HB2 ASN 17 8.776 -12.884 -1.176 746 HB3 ASN 17 HB1 ASN 17 9.621 -12.881 0.367 747 HD21 ASN 17 HD21 ASN 17 9.008 -15.048 0.654 748 HD22 ASN 17 HD22 ASN 17 7.406 -15.462 1.170 749 H ASP 18 HN ASP 18 9.332 -10.154 -2.008 750 HA ASP 18 HA ASP 18 11.893 -9.540 -0.934 751 HB2 ASP 18 HB2 ASP 18 11.437 -10.047 -3.360 752 HB3 ASP 18 HB1 ASP 18 10.643 -8.480 -3.474 753 H MET 19 HN MET 19 8.887 -7.834 -1.516 754 HA MET 19 HA MET 19 9.717 -5.216 -1.004 755 HB2 MET 19 HB2 MET 19 7.084 -6.606 -0.557 756 HB3 MET 19 HB1 MET 19 7.308 -4.899 -0.202 757 HG2 MET 19 HG2 MET 19 7.885 -4.472 -2.520 758 HG3 MET 19 HG1 MET 19 7.727 -6.189 -2.889 759 HE1 MET 19 HE1 MET 19 6.116 -5.279 -4.913 760 HE2 MET 19 HE2 MET 19 6.231 -3.626 -4.309 761 HE3 MET 19 HE3 MET 19 4.650 -4.346 -4.615 762 H ILE 20 HN ILE 20 8.634 -7.741 1.244 763 HA ILE 20 HA ILE 20 8.894 -6.201 3.595 764 HB ILE 20 HB ILE 20 9.239 -9.190 3.265 765 HG12 ILE 20 HG12 ILE 20 6.805 -7.582 4.074 766 HG13 ILE 20 HG11 ILE 20 7.050 -8.308 2.490 767 HG21 ILE 20 HG21 ILE 20 8.729 -9.313 5.659 768 HG22 ILE 20 HG22 ILE 20 8.686 -7.553 5.739 769 HG23 ILE 20 HG23 ILE 20 10.198 -8.382 5.360 770 HD11 ILE 20 HD11 ILE 20 6.810 -9.793 5.095 771 HD12 ILE 20 HD12 ILE 20 7.056 -10.525 3.510 772 HD13 ILE 20 HD13 ILE 20 5.564 -9.652 3.856 773 H ALA 21 HN ALA 21 11.152 -8.219 1.789 774 HA ALA 21 HA ALA 21 13.342 -7.976 3.552 775 HB1 ALA 21 HB1 ALA 21 13.390 -8.424 0.567 776 HB2 ALA 21 HB2 ALA 21 13.203 -9.683 1.788 777 HB3 ALA 21 HB3 ALA 21 14.701 -8.756 1.699 778 H VAL 22 HN VAL 22 12.103 -5.927 0.991 779 HA VAL 22 HA VAL 22 14.261 -4.142 0.758 780 HB VAL 22 HB VAL 22 11.321 -3.466 0.513 781 HG11 VAL 22 HG11 VAL 22 13.749 -2.134 -0.678 782 HG12 VAL 22 HG12 VAL 22 12.755 -1.503 0.634 783 HG13 VAL 22 HG13 VAL 22 12.071 -1.686 -0.980 784 HG21 VAL 22 HG21 VAL 22 11.630 -3.896 -1.906 785 HG22 VAL 22 HG22 VAL 22 11.802 -5.351 -0.921 786 HG23 VAL 22 HG23 VAL 22 13.235 -4.537 -1.556 787 H LEU 23 HN LEU 23 11.399 -4.067 2.856 788 HA LEU 23 HA LEU 23 11.991 -1.691 4.224 789 HG LEU 23 HG LEU 23 9.424 -3.349 3.260 790 HB2 LEU 23 HB2 LEU 23 10.557 -4.125 5.288 791 HB3 LEU 23 HB1 LEU 23 10.477 -2.509 5.960 792 HD11 LEU 23 HD11 LEU 23 7.230 -2.936 4.266 793 HD12 LEU 23 HD12 LEU 23 8.005 -2.618 5.818 794 HD13 LEU 23 HD13 LEU 23 8.098 -4.226 5.098 795 HD21 LEU 23 HD21 LEU 23 8.459 -1.103 3.178 796 HD22 LEU 23 HD22 LEU 23 10.221 -1.047 3.240 797 HD23 LEU 23 HD23 LEU 23 9.275 -0.696 4.687 798 H GLU 24 HN GLU 24 12.890 -5.038 4.843 799 HA GLU 24 HA GLU 24 14.195 -4.538 7.316 800 HB2 GLU 24 HB2 GLU 24 13.310 -6.753 6.552 801 HB3 GLU 24 HB1 GLU 24 14.629 -6.831 5.392 802 HG2 GLU 24 HG2 GLU 24 16.239 -6.786 7.229 803 HG3 GLU 24 HG1 GLU 24 14.909 -6.723 8.384 804 H LYS 25 HN LYS 25 15.232 -4.651 3.967 805 HA LYS 25 HA LYS 25 18.007 -4.702 4.354 806 HB2 LYS 25 HB2 LYS 25 16.910 -5.193 2.209 807 HB3 LYS 25 HB1 LYS 25 16.425 -3.511 2.067 808 HG2 LYS 25 HG2 LYS 25 18.722 -2.816 1.862 809 HG3 LYS 25 HG1 LYS 25 19.281 -4.466 2.153 810 HD2 LYS 25 HD2 LYS 25 19.370 -4.042 -0.209 811 HD3 LYS 25 HD1 LYS 25 18.055 -5.174 0.104 812 HE2 LYS 25 HE2 LYS 25 17.240 -3.596 -1.467 813 HE3 LYS 25 HE1 LYS 25 16.497 -3.200 0.081 814 HZ1 LYS 25 HZ1 LYS 25 18.775 -1.805 -1.217 815 HZ2 LYS 25 HZ2 LYS 25 18.257 -1.487 0.360 816 HZ3 LYS 25 HZ3 LYS 25 17.217 -1.188 -0.943 817 H HIS 26 HN HIS 26 15.765 -1.973 4.022 818 HA HIS 26 HA HIS 26 17.991 -0.111 4.433 819 HD1 HIS 26 HD1 HIS 26 17.255 1.628 1.243 820 HD2 HIS 26 HD2 HIS 26 16.852 3.106 5.117 821 HE1 HIS 26 HE1 HIS 26 18.277 3.925 1.210 822 HE2 HIS 26 HE2 HIS 26 18.232 4.694 3.606 823 HB2 HIS 26 HB2 HIS 26 15.991 0.088 2.681 824 HB3 HIS 26 HB1 HIS 26 15.184 0.835 4.056 825 H LYS 27 HN LYS 27 15.962 -1.863 6.273 826 HA LYS 27 HA LYS 27 15.107 -1.797 8.358 827 HB2 LYS 27 HB2 LYS 27 17.306 0.238 8.729 828 HB3 LYS 27 HB1 LYS 27 16.360 -0.444 10.046 829 HG2 LYS 27 HG2 LYS 27 17.150 -2.702 9.350 830 HG3 LYS 27 HG1 LYS 27 18.220 -1.910 8.191 831 HD2 LYS 27 HD2 LYS 27 19.417 -2.460 10.241 832 HD3 LYS 27 HD1 LYS 27 19.314 -0.712 10.029 833 HE2 LYS 27 HE2 LYS 27 18.882 -1.306 12.341 834 HE3 LYS 27 HE1 LYS 27 17.427 -0.647 11.601 835 HZ1 LYS 27 HZ1 LYS 27 16.565 -2.876 11.342 836 HZ2 LYS 27 HZ2 LYS 27 16.976 -2.610 12.966 837 HZ3 LYS 27 HZ3 LYS 27 17.990 -3.542 11.978 838 H ALA 28 HN ALA 28 13.141 -0.919 7.434 839 HA ALA 28 HA ALA 28 12.662 1.872 8.234 840 HB1 ALA 28 HB1 ALA 28 10.854 1.902 6.602 841 HB2 ALA 28 HB2 ALA 28 11.177 0.216 6.195 842 HB3 ALA 28 HB3 ALA 28 12.377 1.456 5.834 843 HA PRO 29 HA PRO 29 9.947 -0.028 11.296 844 HB2 PRO 29 HB2 PRO 29 9.225 2.324 12.458 845 HB3 PRO 29 HB1 PRO 29 10.743 1.499 12.831 846 HG2 PRO 29 HG2 PRO 29 10.243 3.820 11.012 847 HG3 PRO 29 HG1 PRO 29 11.579 3.550 12.146 848 HD2 PRO 29 HD2 PRO 29 11.802 3.135 9.472 849 HD3 PRO 29 HD1 PRO 29 12.724 2.208 10.672 850 H VAL 30 HN VAL 30 7.589 0.341 11.797 851 HA VAL 30 HA VAL 30 6.170 0.321 9.384 852 HB VAL 30 HB VAL 30 4.116 0.279 10.708 853 HG11 VAL 30 HG11 VAL 30 4.618 -1.732 12.023 854 HG12 VAL 30 HG12 VAL 30 6.342 -1.401 11.851 855 HG13 VAL 30 HG13 VAL 30 5.370 -1.774 10.428 856 HG21 VAL 30 HG21 VAL 30 4.701 1.925 12.415 857 HG22 VAL 30 HG22 VAL 30 5.910 0.826 13.077 858 HG23 VAL 30 HG23 VAL 30 4.199 0.406 13.155 859 H ASP 31 HN ASP 31 6.868 2.935 11.578 860 HA ASP 31 HA ASP 31 4.961 4.821 10.824 861 HB2 ASP 31 HB2 ASP 31 7.853 5.507 11.359 862 HB3 ASP 31 HB1 ASP 31 6.427 6.479 11.705 863 H LEU 32 HN LEU 32 8.300 4.645 9.665 864 HA LEU 32 HA LEU 32 7.882 6.428 7.510 865 HG LEU 32 HG LEU 32 9.878 6.112 9.819 866 HB2 LEU 32 HB2 LEU 32 10.108 4.438 7.951 867 HB3 LEU 32 HB1 LEU 32 10.145 5.785 6.829 868 HD11 LEU 32 HD11 LEU 32 12.335 6.292 8.086 869 HD12 LEU 32 HD12 LEU 32 12.008 5.069 9.316 870 HD13 LEU 32 HD13 LEU 32 12.242 6.753 9.786 871 HD21 LEU 32 HD21 LEU 32 9.026 7.987 8.518 872 HD22 LEU 32 HD22 LEU 32 10.541 8.069 7.619 873 HD23 LEU 32 HD23 LEU 32 10.520 8.427 9.349 874 H SER 33 HN SER 33 7.789 2.935 7.829 875 HA SER 33 HA SER 33 7.878 2.289 5.097 876 HG SER 33 HG SER 33 6.494 0.303 4.789 877 HB2 SER 33 HB2 SER 33 8.247 0.597 6.806 878 HB3 SER 33 HB1 SER 33 6.598 0.801 7.404 879 H LEU 34 HN LEU 34 5.128 2.983 7.251 880 HA LEU 34 HA LEU 34 3.139 2.473 5.299 881 HG LEU 34 HG LEU 34 3.270 1.747 8.267 882 HB2 LEU 34 HB2 LEU 34 3.072 4.147 7.804 883 HB3 LEU 34 HB1 LEU 34 1.665 3.845 6.803 884 HD11 LEU 34 HD11 LEU 34 1.242 1.508 9.631 885 HD12 LEU 34 HD12 LEU 34 0.526 2.880 8.784 886 HD13 LEU 34 HD13 LEU 34 1.962 3.111 9.780 887 HD21 LEU 34 HD21 LEU 34 2.356 0.870 6.191 888 HD22 LEU 34 HD22 LEU 34 0.761 1.497 6.609 889 HD23 LEU 34 HD23 LEU 34 1.484 0.211 7.576 890 H ILE 35 HN ILE 35 4.898 5.396 6.240 891 HA ILE 35 HA ILE 35 3.450 7.178 4.593 892 HB ILE 35 HB ILE 35 6.365 7.403 5.364 893 HG12 ILE 35 HG12 ILE 35 3.921 8.483 6.789 894 HG13 ILE 35 HG11 ILE 35 4.854 7.089 7.320 895 HG21 ILE 35 HG21 ILE 35 5.717 8.923 3.577 896 HG22 ILE 35 HG22 ILE 35 5.993 9.815 5.074 897 HG23 ILE 35 HG23 ILE 35 4.346 9.489 4.532 898 HD11 ILE 35 HD11 ILE 35 5.855 9.917 7.110 899 HD12 ILE 35 HD12 ILE 35 6.815 8.525 7.609 900 HD13 ILE 35 HD13 ILE 35 5.449 9.055 8.592 901 H ALA 36 HN ALA 36 6.420 5.309 4.001 902 HA ALA 36 HA ALA 36 6.922 6.108 1.388 903 HB1 ALA 36 HB1 ALA 36 8.156 4.006 1.150 904 HB2 ALA 36 HB2 ALA 36 7.402 3.395 2.623 905 HB3 ALA 36 HB3 ALA 36 8.494 4.778 2.700 906 H LEU 37 HN LEU 37 4.878 3.451 2.579 907 HA LEU 37 HA LEU 37 4.014 2.527 0.064 908 HG LEU 37 HG LEU 37 4.676 1.206 2.831 909 HB2 LEU 37 HB2 LEU 37 2.577 2.461 2.721 910 HB3 LEU 37 HB1 LEU 37 2.098 1.553 1.298 911 HD11 LEU 37 HD11 LEU 37 2.742 0.368 4.043 912 HD12 LEU 37 HD12 LEU 37 3.734 -0.965 3.452 913 HD13 LEU 37 HD13 LEU 37 2.233 -0.548 2.626 914 HD21 LEU 37 HD21 LEU 37 4.983 0.773 0.455 915 HD22 LEU 37 HD22 LEU 37 3.584 -0.302 0.457 916 HD23 LEU 37 HD23 LEU 37 5.028 -0.732 1.374 917 H GLY 38 HN GLY 38 2.700 4.971 2.261 918 HA2 GLY 38 HA2 GLY 38 0.378 5.606 0.821 919 HA3 GLY 38 HA1 GLY 38 1.228 6.695 1.910 920 H ASN 39 HN ASN 39 3.656 6.974 0.605 921 HA ASN 39 HA ASN 39 3.059 8.908 -1.357 922 HB2 ASN 39 HB2 ASN 39 5.608 7.508 -0.575 923 HB3 ASN 39 HB1 ASN 39 5.572 8.637 -1.923 924 HD21 ASN 39 HD21 ASN 39 3.603 9.022 0.945 925 HD22 ASN 39 HD22 ASN 39 4.439 10.408 1.561 926 H MET 40 HN MET 40 4.218 5.572 -1.636 927 HA MET 40 HA MET 40 4.465 5.549 -4.442 928 HB2 MET 40 HB2 MET 40 5.481 3.878 -2.893 929 HB3 MET 40 HB1 MET 40 3.881 3.199 -2.633 930 HG2 MET 40 HG2 MET 40 5.109 1.876 -4.237 931 HG3 MET 40 HG1 MET 40 3.732 2.656 -5.015 932 HE1 MET 40 HE1 MET 40 6.427 2.592 -7.869 933 HE2 MET 40 HE2 MET 40 4.756 2.215 -7.451 934 HE3 MET 40 HE3 MET 40 6.078 1.356 -6.662 935 H ALA 41 HN ALA 41 1.792 4.645 -2.299 936 HA ALA 41 HA ALA 41 0.037 3.634 -4.226 937 HB1 ALA 41 HB1 ALA 41 -0.693 5.143 -1.716 938 HB2 ALA 41 HB2 ALA 41 -0.307 3.423 -1.792 939 HB3 ALA 41 HB3 ALA 41 -1.733 4.046 -2.622 940 H SER 42 HN SER 42 0.494 6.945 -3.050 941 HA SER 42 HA SER 42 -1.537 8.147 -4.581 942 HG SER 42 HG SER 42 -1.393 10.727 -3.793 943 HB2 SER 42 HB2 SER 42 -0.365 9.220 -2.649 944 HB3 SER 42 HB1 SER 42 1.067 9.398 -3.661 945 H ASN 43 HN ASN 43 1.946 7.767 -5.186 946 HA ASN 43 HA ASN 43 2.105 9.011 -7.661 947 HB2 ASN 43 HB2 ASN 43 3.643 6.672 -6.537 948 HB3 ASN 43 HB1 ASN 43 4.026 7.393 -8.094 949 HD21 ASN 43 HD21 ASN 43 3.357 10.102 -7.197 950 HD22 ASN 43 HD22 ASN 43 4.673 10.587 -6.185 951 H LEU 44 HN LEU 44 1.375 5.617 -6.937 952 HA LEU 44 HA LEU 44 1.159 4.765 -9.607 953 HG LEU 44 HG LEU 44 2.330 3.497 -7.046 954 HB2 LEU 44 HB2 LEU 44 -0.101 3.678 -7.093 955 HB3 LEU 44 HB1 LEU 44 -0.148 2.862 -8.646 956 HD11 LEU 44 HD11 LEU 44 0.972 0.881 -7.678 957 HD12 LEU 44 HD12 LEU 44 1.019 1.678 -6.106 958 HD13 LEU 44 HD13 LEU 44 2.507 1.069 -6.829 959 HD21 LEU 44 HD21 LEU 44 2.693 3.665 -9.466 960 HD22 LEU 44 HD22 LEU 44 2.046 2.035 -9.665 961 HD23 LEU 44 HD23 LEU 44 3.538 2.286 -8.759 962 H LEU 45 HN LEU 45 -1.342 5.841 -7.316 963 HA LEU 45 HA LEU 45 -3.473 5.344 -9.125 964 HG LEU 45 HG LEU 45 -3.067 4.635 -6.172 965 HB2 LEU 45 HB2 LEU 45 -3.350 7.038 -6.633 966 HB3 LEU 45 HB1 LEU 45 -4.828 6.690 -7.509 967 HD11 LEU 45 HD11 LEU 45 -5.760 5.725 -5.373 968 HD12 LEU 45 HD12 LEU 45 -4.228 6.056 -4.565 969 HD13 LEU 45 HD13 LEU 45 -4.888 4.421 -4.568 970 HD21 LEU 45 HD21 LEU 45 -4.211 3.744 -8.131 971 HD22 LEU 45 HD22 LEU 45 -5.749 4.355 -7.523 972 HD23 LEU 45 HD23 LEU 45 -4.898 3.083 -6.647 973 H THR 46 HN THR 46 -1.191 7.855 -9.017 974 HA THR 46 HA THR 46 -3.033 9.634 -10.462 975 HB THR 46 HB THR 46 -1.183 11.352 -10.185 976 HG1 THR 46 HG1 THR 46 -0.272 9.552 -8.167 977 HG21 THR 46 HG21 THR 46 -2.464 10.224 -7.694 978 HG22 THR 46 HG22 THR 46 -3.219 11.347 -8.826 979 HG23 THR 46 HG23 THR 46 -1.822 11.856 -7.877 980 H THR 47 HN THR 47 -0.959 7.242 -11.243 981 HA THR 47 HA THR 47 -0.274 8.531 -13.798 982 HB THR 47 HB THR 47 1.906 7.303 -13.797 983 HG1 THR 47 HG1 THR 47 1.584 7.049 -10.989 984 HG21 THR 47 HG21 THR 47 3.071 8.867 -12.321 985 HG22 THR 47 HG22 THR 47 1.543 9.285 -11.547 986 HG23 THR 47 HG23 THR 47 1.813 9.688 -13.243 987 H SER 48 HN SER 48 -0.715 5.489 -12.028 988 HA SER 48 HA SER 48 -0.451 3.971 -14.497 989 HG SER 48 HG SER 48 1.146 4.273 -12.439 990 HB2 SER 48 HB2 SER 48 -0.891 2.972 -11.676 991 HB3 SER 48 HB1 SER 48 -0.367 2.022 -13.068 992 H VAL 49 HN VAL 49 -2.883 5.650 -13.356 993 HA VAL 49 HA VAL 49 -4.942 3.616 -13.802 994 HB VAL 49 HB VAL 49 -6.560 5.303 -13.059 995 HG11 VAL 49 HG11 VAL 49 -4.216 4.990 -11.187 996 HG12 VAL 49 HG12 VAL 49 -5.563 3.868 -11.380 997 HG13 VAL 49 HG13 VAL 49 -5.843 5.476 -10.712 998 HG21 VAL 49 HG21 VAL 49 -4.155 7.098 -12.727 999 HG22 VAL 49 HG22 VAL 49 -5.775 7.451 -12.126 1000 HG23 VAL 49 HG23 VAL 49 -5.488 7.320 -13.861 1001 HA PRO 50 HA PRO 50 -5.737 4.768 -18.024 1002 HB2 PRO 50 HB2 PRO 50 -8.595 4.849 -17.151 1003 HB3 PRO 50 HB1 PRO 50 -7.863 4.015 -18.527 1004 HG2 PRO 50 HG2 PRO 50 -8.568 2.659 -16.353 1005 HG3 PRO 50 HG1 PRO 50 -7.067 2.271 -17.214 1006 HD2 PRO 50 HD2 PRO 50 -7.455 3.729 -14.640 1007 HD3 PRO 50 HD1 PRO 50 -6.147 2.634 -15.134 1008 H GLN 51 HN GLN 51 -8.293 6.310 -16.123 1009 HA GLN 51 HA GLN 51 -7.169 8.892 -16.078 1010 HB2 GLN 51 HB2 GLN 51 -8.880 8.262 -18.393 1011 HB3 GLN 51 HB1 GLN 51 -9.353 9.705 -17.508 1012 HG2 GLN 51 HG2 GLN 51 -6.927 10.435 -17.719 1013 HG3 GLN 51 HG1 GLN 51 -6.760 9.139 -18.903 1014 HE21 GLN 51 HE21 GLN 51 -9.528 9.496 -19.842 1015 HE22 GLN 51 HE22 GLN 51 -9.513 10.934 -20.807 1016 H THR 52 HN THR 52 -10.577 8.366 -16.728 1017 HA THR 52 HA THR 52 -11.345 9.557 -14.264 1018 HB THR 52 HB THR 52 -13.229 7.935 -15.946 1019 HG1 THR 52 HG1 THR 52 -12.503 10.590 -16.658 1020 HG21 THR 52 HG21 THR 52 -13.474 10.623 -14.583 1021 HG22 THR 52 HG22 THR 52 -14.079 9.091 -13.948 1022 HG23 THR 52 HG23 THR 52 -14.766 9.766 -15.425 1023 H GLN 53 HN GLN 53 -10.371 6.450 -15.058 1024 HA GLN 53 HA GLN 53 -12.073 5.006 -13.239 1025 HB2 GLN 53 HB2 GLN 53 -9.624 4.155 -14.792 1026 HB3 GLN 53 HB1 GLN 53 -10.623 3.069 -13.832 1027 HG2 GLN 53 HG2 GLN 53 -11.585 4.682 -16.184 1028 HG3 GLN 53 HG1 GLN 53 -11.135 2.978 -16.234 1029 HE21 GLN 53 HE21 GLN 53 -12.267 2.325 -13.678 1030 HE22 GLN 53 HE22 GLN 53 -13.990 2.335 -13.868 1031 H CYS 54 HN CYS 54 -9.675 7.099 -12.658 1032 HA CYS 54 HA CYS 54 -7.965 5.859 -10.833 1033 HG CYS 54 HG CYS 54 -9.770 9.787 -9.832 1034 HB2 CYS 54 HB2 CYS 54 -7.762 8.158 -9.822 1035 HB3 CYS 54 HB1 CYS 54 -7.496 8.092 -11.563 1036 H GLU 55 HN GLU 55 -11.125 7.361 -10.363 1037 HA GLU 55 HA GLU 55 -11.434 7.102 -7.626 1038 HB2 GLU 55 HB2 GLU 55 -13.436 6.909 -9.873 1039 HB3 GLU 55 HB1 GLU 55 -13.911 6.897 -8.181 1040 HG2 GLU 55 HG2 GLU 55 -12.348 9.105 -9.489 1041 HG3 GLU 55 HG1 GLU 55 -14.098 9.110 -9.268 1042 H ALA 56 HN ALA 56 -12.376 4.789 -10.147 1043 HA ALA 56 HA ALA 56 -13.500 2.873 -8.467 1044 HB1 ALA 56 HB1 ALA 56 -12.168 2.411 -11.132 1045 HB2 ALA 56 HB2 ALA 56 -13.835 2.939 -10.897 1046 HB3 ALA 56 HB3 ALA 56 -13.328 1.345 -10.340 1047 H LEU 57 HN LEU 57 -10.178 3.141 -9.703 1048 HA LEU 57 HA LEU 57 -9.345 0.682 -8.530 1049 HG LEU 57 HG LEU 57 -8.998 1.958 -11.381 1050 HB2 LEU 57 HB2 LEU 57 -7.725 2.997 -9.577 1051 HB3 LEU 57 HB1 LEU 57 -7.064 1.438 -9.120 1052 HD11 LEU 57 HD11 LEU 57 -7.128 1.270 -12.799 1053 HD12 LEU 57 HD12 LEU 57 -6.100 1.143 -11.372 1054 HD13 LEU 57 HD13 LEU 57 -6.742 2.710 -11.858 1055 HD21 LEU 57 HD21 LEU 57 -8.704 -0.406 -11.930 1056 HD22 LEU 57 HD22 LEU 57 -9.430 -0.206 -10.334 1057 HD23 LEU 57 HD23 LEU 57 -7.723 -0.624 -10.479 1058 H ALA 58 HN ALA 58 -9.218 4.055 -7.528 1059 HA ALA 58 HA ALA 58 -7.499 3.705 -5.314 1060 HB1 ALA 58 HB1 ALA 58 -8.324 5.870 -4.559 1061 HB2 ALA 58 HB2 ALA 58 -9.649 5.782 -5.718 1062 HB3 ALA 58 HB3 ALA 58 -7.986 5.900 -6.290 1063 H GLN 59 HN GLN 59 -11.054 3.851 -5.528 1064 HA GLN 59 HA GLN 59 -11.472 3.234 -2.795 1065 HB2 GLN 59 HB2 GLN 59 -13.214 3.305 -5.217 1066 HB3 GLN 59 HB1 GLN 59 -13.811 2.488 -3.781 1067 HG2 GLN 59 HG2 GLN 59 -14.642 4.663 -3.634 1068 HG3 GLN 59 HG1 GLN 59 -13.278 4.622 -2.521 1069 HE21 GLN 59 HE21 GLN 59 -14.570 5.939 -5.422 1070 HE22 GLN 59 HE22 GLN 59 -13.332 7.116 -5.704 1071 H ALA 60 HN ALA 60 -11.037 1.256 -5.651 1072 HA ALA 60 HA ALA 60 -11.946 -1.195 -4.620 1073 HB1 ALA 60 HB1 ALA 60 -9.760 -0.730 -6.649 1074 HB2 ALA 60 HB2 ALA 60 -11.486 -0.849 -6.998 1075 HB3 ALA 60 HB3 ALA 60 -10.614 -2.247 -6.370 1076 H PHE 61 HN PHE 61 -8.676 0.230 -4.641 1077 HA PHE 61 HA PHE 61 -7.386 -1.845 -3.261 1078 HD1 PHE 61 HD2 PHE 61 -4.664 -1.930 -3.454 1079 HD2 PHE 61 HD1 PHE 61 -5.640 1.602 -1.290 1080 HE1 PHE 61 HE2 PHE 61 -2.739 -2.307 -1.972 1081 HE2 PHE 61 HE1 PHE 61 -3.717 1.232 0.193 1082 HZ PHE 61 HZ PHE 61 -2.263 -0.727 -0.146 1083 HB2 PHE 61 HB2 PHE 61 -6.139 -0.076 -4.398 1084 HB3 PHE 61 HB1 PHE 61 -6.773 1.123 -3.278 1085 H SER 62 HN SER 62 -9.117 0.996 -2.115 1086 HA SER 62 HA SER 62 -8.596 0.724 0.620 1087 HG SER 62 HG SER 62 -11.716 2.174 1.207 1088 HB2 SER 62 HB2 SER 62 -9.590 2.750 -0.358 1089 HB3 SER 62 HB1 SER 62 -11.055 1.853 -0.752 1090 H ASN 63 HN ASN 63 -11.559 -0.235 -1.126 1091 HA ASN 63 HA ASN 63 -12.822 -1.413 1.058 1092 HB2 ASN 63 HB2 ASN 63 -13.184 -2.022 -1.881 1093 HB3 ASN 63 HB1 ASN 63 -14.280 -2.540 -0.605 1094 HD21 ASN 63 HD21 ASN 63 -14.832 -0.899 -2.898 1095 HD22 ASN 63 HD22 ASN 63 -15.403 0.622 -2.290 1096 H SER 64 HN SER 64 -10.779 -2.895 -1.428 1097 HA SER 64 HA SER 64 -11.208 -5.559 -0.629 1098 HG SER 64 HG SER 64 -8.991 -3.300 -2.533 1099 HB2 SER 64 HB2 SER 64 -9.133 -6.043 -1.913 1100 HB3 SER 64 HB1 SER 64 -10.272 -5.035 -2.802 1101 H LEU 65 HN LEU 65 -8.853 -3.138 0.379 1102 HA LEU 65 HA LEU 65 -7.349 -4.887 2.047 1103 HG LEU 65 HG LEU 65 -5.276 -3.883 2.710 1104 HB2 LEU 65 HB2 LEU 65 -6.726 -2.580 1.028 1105 HB3 LEU 65 HB1 LEU 65 -7.537 -1.914 2.429 1106 HD11 LEU 65 HD11 LEU 65 -4.449 -2.042 1.367 1107 HD12 LEU 65 HD12 LEU 65 -3.786 -1.956 3.000 1108 HD13 LEU 65 HD13 LEU 65 -5.099 -0.880 2.521 1109 HD21 LEU 65 HD21 LEU 65 -5.036 -2.852 4.900 1110 HD22 LEU 65 HD22 LEU 65 -6.672 -3.472 4.685 1111 HD23 LEU 65 HD23 LEU 65 -6.359 -1.742 4.541 1112 H ILE 66 HN ILE 66 -10.055 -2.659 2.581 1113 HA ILE 66 HA ILE 66 -10.227 -2.899 5.380 1114 HB ILE 66 HB ILE 66 -12.633 -2.631 3.574 1115 HG12 ILE 66 HG12 ILE 66 -11.082 -0.978 2.776 1116 HG13 ILE 66 HG11 ILE 66 -12.301 -0.162 3.746 1117 HG21 ILE 66 HG21 ILE 66 -13.542 -1.327 5.435 1118 HG22 ILE 66 HG22 ILE 66 -12.066 -1.617 6.355 1119 HG23 ILE 66 HG23 ILE 66 -13.118 -2.967 5.925 1120 HD11 ILE 66 HD11 ILE 66 -9.549 -0.898 4.700 1121 HD12 ILE 66 HD12 ILE 66 -10.759 0.034 5.583 1122 HD13 ILE 66 HD13 ILE 66 -10.036 0.690 4.112 1123 H ASN 67 HN ASN 67 -11.752 -4.738 2.774 1124 HA ASN 67 HA ASN 67 -13.262 -6.486 4.392 1125 HB2 ASN 67 HB2 ASN 67 -13.613 -6.119 1.946 1126 HB3 ASN 67 HB1 ASN 67 -12.135 -7.020 1.628 1127 HD21 ASN 67 HD21 ASN 67 -13.121 -8.640 0.490 1128 HD22 ASN 67 HD22 ASN 67 -14.171 -9.801 1.226 1129 H ALA 68 HN ALA 68 -9.925 -6.559 3.294 1130 HA ALA 68 HA ALA 68 -9.328 -9.229 3.963 1131 HB1 ALA 68 HB1 ALA 68 -7.832 -7.869 2.604 1132 HB2 ALA 68 HB2 ALA 68 -6.986 -8.504 4.015 1133 HB3 ALA 68 HB3 ALA 68 -7.511 -6.821 3.985 1134 H VAL 69 HN VAL 69 -9.146 -6.227 5.840 1135 HA VAL 69 HA VAL 69 -8.268 -7.380 8.264 1136 HB VAL 69 HB VAL 69 -9.999 -4.926 7.889 1137 HG11 VAL 69 HG11 VAL 69 -8.265 -5.781 10.202 1138 HG12 VAL 69 HG12 VAL 69 -10.027 -5.722 10.181 1139 HG13 VAL 69 HG13 VAL 69 -9.094 -4.230 10.062 1140 HG21 VAL 69 HG21 VAL 69 -6.996 -5.170 8.057 1141 HG22 VAL 69 HG22 VAL 69 -7.906 -3.662 7.983 1142 HG23 VAL 69 HG23 VAL 69 -7.927 -4.770 6.612 1143 H LYS 70 HN LYS 70 -11.478 -6.669 6.980 1144 HA LYS 70 HA LYS 70 -13.084 -7.557 9.058 1145 HB2 LYS 70 HB2 LYS 70 -13.385 -7.321 6.112 1146 HB3 LYS 70 HB1 LYS 70 -14.578 -8.291 6.961 1147 HG2 LYS 70 HG2 LYS 70 -13.916 -5.469 7.749 1148 HG3 LYS 70 HG1 LYS 70 -15.173 -5.878 6.577 1149 HD2 LYS 70 HD2 LYS 70 -16.116 -7.417 8.377 1150 HD3 LYS 70 HD1 LYS 70 -15.039 -6.581 9.497 1151 HE2 LYS 70 HE2 LYS 70 -17.030 -5.175 7.739 1152 HE3 LYS 70 HE1 LYS 70 -17.399 -5.704 9.381 1153 HZ1 LYS 70 HZ1 LYS 70 -16.766 -3.470 9.562 1154 HZ2 LYS 70 HZ2 LYS 70 -15.453 -3.650 8.509 1155 HZ3 LYS 70 HZ3 LYS 70 -15.389 -4.334 10.057 1156 H THR 71 HN THR 71 -11.497 -9.417 6.520 1157 HA THR 71 HA THR 71 -12.820 -11.869 7.186 1158 HB THR 71 HB THR 71 -10.344 -11.445 5.500 1159 HG1 THR 71 HG1 THR 71 -12.219 -10.278 4.746 1160 HG21 THR 71 HG21 THR 71 -10.975 -13.574 4.460 1161 HG22 THR 71 HG22 THR 71 -12.326 -13.723 5.586 1162 HG23 THR 71 HG23 THR 71 -10.669 -13.772 6.186 1163 H ARG 72 HN ARG 72 -9.870 -10.285 8.193 1164 HA ARG 72 HA ARG 72 -8.747 -12.646 9.397 1165 HE ARG 72 HE ARG 72 -3.846 -11.559 11.051 1166 HB2 ARG 72 HB2 ARG 72 -7.371 -10.691 8.624 1167 HB3 ARG 72 HB1 ARG 72 -8.034 -9.763 9.964 1168 HG2 ARG 72 HG2 ARG 72 -7.109 -11.476 11.518 1169 HG3 ARG 72 HG1 ARG 72 -6.321 -12.232 10.134 1170 HD2 ARG 72 HD2 ARG 72 -5.136 -10.108 9.698 1171 HD3 ARG 72 HD1 ARG 72 -5.872 -9.429 11.149 1172 HH11 ARG 72 HH11 ARG 72 -5.754 -9.276 12.896 1173 HH12 ARG 72 HH12 ARG 72 -4.838 -9.476 14.355 1174 HH21 ARG 72 HH21 ARG 72 -2.635 -11.848 12.981 1175 HH22 ARG 72 HH22 ARG 72 -3.058 -10.940 14.406 1176 H LEU 73 HN LEU 73 -10.600 -9.850 10.463 1177 HA LEU 73 HA LEU 73 -10.576 -10.543 13.230 1178 HG LEU 73 HG LEU 73 -13.369 -9.281 13.926 1179 HB2 LEU 73 HB2 LEU 73 -10.967 -8.254 12.407 1180 HB3 LEU 73 HB1 LEU 73 -12.474 -8.777 11.682 1181 HD11 LEU 73 HD11 LEU 73 -10.765 -8.109 14.894 1182 HD12 LEU 73 HD12 LEU 73 -11.294 -9.781 15.081 1183 HD13 LEU 73 HD13 LEU 73 -12.159 -8.485 15.906 1184 HD21 LEU 73 HD21 LEU 73 -12.291 -6.483 13.593 1185 HD22 LEU 73 HD22 LEU 73 -13.613 -6.956 14.659 1186 HD23 LEU 73 HD23 LEU 73 -13.793 -7.111 12.912 1187 H GLU 74 HN GLU 74 -12.939 -10.927 10.611 1188 HA GLU 74 HA GLU 74 -14.468 -12.772 12.309 1189 HB2 GLU 74 HB2 GLU 74 -15.601 -10.826 11.117 1190 HB3 GLU 74 HB1 GLU 74 -15.256 -11.661 9.611 1191 HG2 GLU 74 HG2 GLU 74 -17.520 -12.089 10.271 1192 HG3 GLU 74 HG1 GLU 74 -16.581 -13.577 10.399 1193 H HIS 75 HN HIS 75 -13.469 -14.692 12.170 1194 HA HIS 75 HA HIS 75 -11.712 -15.559 10.271 1195 HD1 HIS 75 HD1 HIS 75 -12.451 -16.041 14.224 1196 HD2 HIS 75 HD2 HIS 75 -9.606 -17.456 11.540 1197 HE1 HIS 75 HE1 HIS 75 -10.245 -15.899 15.430 1198 HE2 HIS 75 HE2 HIS 75 -8.545 -16.833 13.818 1199 HB2 HIS 75 HB2 HIS 75 -13.465 -17.089 12.165 1200 HB3 HIS 75 HB1 HIS 75 -12.384 -17.930 11.057 1201 H HIS 76 HN HIS 76 -11.769 -16.221 8.295 1202 HA HIS 76 HA HIS 76 -14.089 -16.238 6.731 1203 HD1 HIS 76 HD1 HIS 76 -11.082 -18.115 3.672 1204 HD2 HIS 76 HD2 HIS 76 -14.699 -16.182 4.368 1205 HE1 HIS 76 HE1 HIS 76 -12.370 -18.284 1.516 1206 HE2 HIS 76 HE2 HIS 76 -14.444 -16.903 1.896 1207 HB2 HIS 76 HB2 HIS 76 -11.775 -15.819 5.899 1208 HB3 HIS 76 HB1 HIS 76 -11.427 -17.532 6.098 1209 H HIS 77 HN HIS 77 -15.591 -17.710 6.445 1210 HA HIS 77 HA HIS 77 -15.514 -20.229 7.776 1211 HD1 HIS 77 HD1 HIS 77 -17.469 -19.443 9.464 1212 HD2 HIS 77 HD2 HIS 77 -19.218 -21.839 6.551 1213 HE1 HIS 77 HE1 HIS 77 -19.013 -20.995 10.701 1214 HE2 HIS 77 HE2 HIS 77 -20.231 -22.265 8.899 1215 HB2 HIS 77 HB2 HIS 77 -17.487 -18.560 6.799 1216 HB3 HIS 77 HB1 HIS 77 -17.543 -19.917 5.682 1217 H HIS 78 HN HIS 78 -15.689 -22.320 6.766 1218 HA HIS 78 HA HIS 78 -14.589 -22.414 4.032 1219 HD1 HIS 78 HD1 HIS 78 -11.691 -22.459 4.022 1220 HD2 HIS 78 HD2 HIS 78 -12.598 -23.007 8.049 1221 HE1 HIS 78 HE1 HIS 78 -9.906 -21.235 5.297 1222 HE2 HIS 78 HE2 HIS 78 -10.576 -21.425 7.717 1223 HB2 HIS 78 HB2 HIS 78 -14.067 -24.424 6.241 1224 HB3 HIS 78 HB1 HIS 78 -13.402 -24.466 4.613 1225 H HIS 79 HN HIS 79 -16.864 -22.342 3.484 1226 HA HIS 79 HA HIS 79 -18.865 -23.199 2.881 1227 HD1 HIS 79 HD1 HIS 79 -19.086 -25.610 0.249 1228 HD2 HIS 79 HD2 HIS 79 -20.770 -26.296 3.992 1229 HE1 HIS 79 HE1 HIS 79 -21.386 -26.536 -0.198 1230 HE2 HIS 79 HE2 HIS 79 -22.400 -26.919 2.083 1231 HB2 HIS 79 HB2 HIS 79 -17.483 -25.167 2.081 1232 HB3 HIS 79 HB1 HIS 79 -17.839 -25.949 3.618 1233 H HIS 80 HN HIS 80 -17.845 -25.304 5.574 1234 HA HIS 80 HA HIS 80 -19.783 -23.973 7.298 1235 HD1 HIS 80 HD1 HIS 80 -19.728 -26.711 9.819 1236 HD2 HIS 80 HD2 HIS 80 -23.103 -25.429 7.750 1237 HE1 HIS 80 HE1 HIS 80 -21.562 -26.558 11.536 1238 HE2 HIS 80 HE2 HIS 80 -23.615 -25.866 10.247 1239 HB2 HIS 80 HB2 HIS 80 -20.907 -25.998 6.268 1240 HB3 HIS 80 HB1 HIS 80 -19.709 -26.987 7.095 Start of MODEL 9 1 HA MET 1 HA MET 1 9.713 24.498 14.031 2 H1 MET 1 HT1 MET 1 8.577 25.265 16.032 3 H2 MET 1 HT2 MET 1 7.180 25.570 15.118 4 H3 MET 1 HT3 MET 1 8.602 26.436 14.807 5 HB2 MET 1 HB2 MET 1 8.524 22.943 15.591 6 HB3 MET 1 HB1 MET 1 7.105 23.054 14.564 7 HG2 MET 1 HG2 MET 1 9.744 22.109 13.501 8 HG3 MET 1 HG1 MET 1 8.626 21.020 14.313 9 HE1 MET 1 HE1 MET 1 5.491 21.200 11.954 10 HE2 MET 1 HE2 MET 1 5.804 22.222 13.356 11 HE3 MET 1 HE3 MET 1 6.171 20.497 13.422 12 H ALA 2 HN ALA 2 9.863 24.718 11.906 13 HA ALA 2 HA ALA 2 7.382 25.026 10.347 14 HB1 ALA 2 HB1 ALA 2 9.934 26.579 9.922 15 HB2 ALA 2 HB2 ALA 2 8.430 27.219 10.587 16 HB3 ALA 2 HB3 ALA 2 8.488 26.663 8.914 17 H GLN 3 HN GLN 3 10.625 23.802 10.610 18 HA GLN 3 HA GLN 3 10.688 22.696 7.960 19 HB2 GLN 3 HB2 GLN 3 12.776 23.289 9.073 20 HB3 GLN 3 HB1 GLN 3 12.432 22.148 10.365 21 HG2 GLN 3 HG2 GLN 3 12.681 20.289 8.894 22 HG3 GLN 3 HG1 GLN 3 12.762 21.347 7.488 23 HE21 GLN 3 HE21 GLN 3 14.653 19.346 8.449 24 HE22 GLN 3 HE22 GLN 3 16.156 20.177 8.656 25 H HIS 4 HN HIS 4 9.207 21.234 7.495 26 HA HIS 4 HA HIS 4 8.064 19.442 9.364 27 HD1 HIS 4 HD1 HIS 4 9.344 18.191 5.529 28 HD2 HIS 4 HD2 HIS 4 6.940 21.579 5.380 29 HE1 HIS 4 HE1 HIS 4 9.798 19.246 3.293 30 HE2 HIS 4 HE2 HIS 4 8.287 21.258 3.188 31 HB2 HIS 4 HB2 HIS 4 7.119 18.341 7.246 32 HB3 HIS 4 HB1 HIS 4 6.671 20.010 7.564 33 H SER 5 HN SER 5 9.641 18.205 10.346 34 HA SER 5 HA SER 5 10.569 15.965 8.731 35 HG SER 5 HG SER 5 13.197 16.170 8.074 36 HB2 SER 5 HB2 SER 5 12.338 17.908 8.940 37 HB3 SER 5 HB1 SER 5 12.570 17.254 10.560 38 H LYS 6 HN LYS 6 9.783 14.265 9.785 39 HA LYS 6 HA LYS 6 9.299 14.323 12.634 40 HB2 LYS 6 HB2 LYS 6 9.012 12.028 10.682 41 HB3 LYS 6 HB1 LYS 6 8.350 12.094 12.309 42 HG2 LYS 6 HG2 LYS 6 6.858 13.883 11.672 43 HG3 LYS 6 HG1 LYS 6 7.577 13.945 10.062 44 HD2 LYS 6 HD2 LYS 6 5.528 12.723 9.904 45 HD3 LYS 6 HD1 LYS 6 6.859 11.580 9.725 46 HE2 LYS 6 HE2 LYS 6 6.616 10.946 12.087 47 HE3 LYS 6 HE1 LYS 6 5.265 12.070 12.239 48 HZ1 LYS 6 HZ1 LYS 6 5.381 9.655 10.512 49 HZ2 LYS 6 HZ2 LYS 6 4.102 10.775 10.512 50 HZ3 LYS 6 HZ3 LYS 6 4.435 9.862 11.898 51 H TYR 7 HN TYR 7 10.685 11.600 10.880 52 HA TYR 7 HA TYR 7 12.893 11.453 12.782 53 HD1 TYR 7 HD2 TYR 7 12.802 8.793 14.044 54 HD2 TYR 7 HD1 TYR 7 9.816 9.254 11.049 55 HE1 TYR 7 HE2 TYR 7 11.158 7.721 15.526 56 HE2 TYR 7 HE1 TYR 7 8.163 8.185 12.522 57 HH TYR 7 HH TYR 7 8.117 6.657 14.452 58 HB2 TYR 7 HB2 TYR 7 12.128 9.587 10.515 59 HB3 TYR 7 HB1 TYR 7 13.393 9.289 11.702 60 H SER 8 HN SER 8 12.433 11.351 9.275 61 HA SER 8 HA SER 8 14.000 13.615 8.784 62 HG SER 8 HG SER 8 16.122 13.593 7.433 63 HB2 SER 8 HB2 SER 8 15.917 12.145 9.196 64 HB3 SER 8 HB1 SER 8 15.269 10.950 8.072 65 H ASP 9 HN ASP 9 12.958 14.456 7.108 66 HA ASP 9 HA ASP 9 11.210 12.908 5.467 67 HB2 ASP 9 HB2 ASP 9 10.959 15.040 4.167 68 HB3 ASP 9 HB1 ASP 9 10.643 15.210 5.889 69 H ALA 10 HN ALA 10 14.522 13.708 5.376 70 HA ALA 10 HA ALA 10 14.912 13.152 2.571 71 HB1 ALA 10 HB1 ALA 10 16.472 14.612 3.765 72 HB2 ALA 10 HB2 ALA 10 17.305 13.197 3.118 73 HB3 ALA 10 HB3 ALA 10 16.910 13.278 4.834 74 H GLN 11 HN GLN 11 15.160 11.443 5.632 75 HA GLN 11 HA GLN 11 16.095 8.973 4.651 76 HB2 GLN 11 HB2 GLN 11 16.098 9.490 7.032 77 HB3 GLN 11 HB1 GLN 11 14.345 9.601 7.036 78 HG2 GLN 11 HG2 GLN 11 14.206 7.219 6.477 79 HG3 GLN 11 HG1 GLN 11 15.965 7.116 6.532 80 HE21 GLN 11 HE21 GLN 11 15.939 5.620 8.196 81 HE22 GLN 11 HE22 GLN 11 15.512 6.033 9.815 82 H LEU 12 HN LEU 12 12.858 10.349 4.985 83 HA LEU 12 HA LEU 12 11.372 8.098 4.280 84 HG LEU 12 HG LEU 12 9.386 9.465 2.326 85 HB2 LEU 12 HB2 LEU 12 10.299 10.109 5.129 86 HB3 LEU 12 HB1 LEU 12 10.786 11.003 3.699 87 HD11 LEU 12 HD11 LEU 12 7.722 8.070 3.424 88 HD12 LEU 12 HD12 LEU 12 8.397 8.493 4.998 89 HD13 LEU 12 HD13 LEU 12 9.358 7.562 3.851 90 HD21 LEU 12 HD21 LEU 12 8.543 11.647 3.003 91 HD22 LEU 12 HD22 LEU 12 7.916 10.947 4.497 92 HD23 LEU 12 HD23 LEU 12 7.244 10.450 2.940 93 H SER 13 HN SER 13 12.532 10.739 2.155 94 HA SER 13 HA SER 13 11.627 9.678 -0.241 95 HG SER 13 HG SER 13 14.650 11.227 1.036 96 HB2 SER 13 HB2 SER 13 13.837 10.933 -1.103 97 HB3 SER 13 HB1 SER 13 12.384 11.798 -0.589 98 H ALA 14 HN ALA 14 14.543 8.921 1.572 99 HA ALA 14 HA ALA 14 15.872 7.442 -0.423 100 HB1 ALA 14 HB1 ALA 14 17.004 8.193 1.595 101 HB2 ALA 14 HB2 ALA 14 17.138 6.442 1.427 102 HB3 ALA 14 HB3 ALA 14 15.993 7.134 2.577 103 H ILE 15 HN ILE 15 13.584 6.458 2.103 104 HA ILE 15 HA ILE 15 13.671 3.693 1.557 105 HB ILE 15 HB ILE 15 11.442 5.320 2.797 106 HG12 ILE 15 HG12 ILE 15 13.692 3.736 4.066 107 HG13 ILE 15 HG11 ILE 15 13.612 5.491 3.970 108 HG21 ILE 15 HG21 ILE 15 10.710 3.181 3.782 109 HG22 ILE 15 HG22 ILE 15 11.943 2.339 2.842 110 HG23 ILE 15 HG23 ILE 15 10.620 3.166 2.021 111 HD11 ILE 15 HD11 ILE 15 11.599 5.462 5.356 112 HD12 ILE 15 HD12 ILE 15 12.980 4.722 6.167 113 HD13 ILE 15 HD13 ILE 15 11.716 3.706 5.471 114 H VAL 16 HN VAL 16 11.526 6.272 0.378 115 HA VAL 16 HA VAL 16 9.898 4.504 -1.171 116 HB VAL 16 HB VAL 16 10.148 7.374 -1.958 117 HG11 VAL 16 HG11 VAL 16 7.766 5.584 -1.505 118 HG12 VAL 16 HG12 VAL 16 8.551 5.864 -3.063 119 HG13 VAL 16 HG13 VAL 16 7.748 7.193 -2.226 120 HG21 VAL 16 HG21 VAL 16 8.836 6.464 0.599 121 HG22 VAL 16 HG22 VAL 16 8.683 8.070 -0.116 122 HG23 VAL 16 HG23 VAL 16 10.251 7.509 0.463 123 H ASN 17 HN ASN 17 12.878 6.193 -1.686 124 HA ASN 17 HA ASN 17 12.951 5.981 -4.529 125 HB2 ASN 17 HB2 ASN 17 14.266 7.649 -3.298 126 HB3 ASN 17 HB1 ASN 17 15.185 6.367 -2.523 127 HD21 ASN 17 HD21 ASN 17 17.087 7.209 -3.289 128 HD22 ASN 17 HD22 ASN 17 17.583 7.045 -4.939 129 H ASP 18 HN ASP 18 14.092 3.967 -1.858 130 HA ASP 18 HA ASP 18 15.445 2.057 -3.396 131 HB2 ASP 18 HB2 ASP 18 14.218 2.079 -0.667 132 HB3 ASP 18 HB1 ASP 18 14.646 0.527 -1.380 133 H MET 19 HN MET 19 12.078 2.366 -2.355 134 HA MET 19 HA MET 19 10.989 0.042 -3.373 135 HB2 MET 19 HB2 MET 19 9.812 2.823 -3.391 136 HB3 MET 19 HB1 MET 19 8.898 1.364 -3.737 137 HG2 MET 19 HG2 MET 19 10.293 1.968 -1.141 138 HG3 MET 19 HG1 MET 19 8.572 2.178 -1.453 139 HE1 MET 19 HE1 MET 19 7.736 0.698 0.484 140 HE2 MET 19 HE2 MET 19 9.409 0.552 1.027 141 HE3 MET 19 HE3 MET 19 8.402 -0.887 0.879 142 H ILE 20 HN ILE 20 11.556 3.103 -5.066 143 HA ILE 20 HA ILE 20 10.539 2.361 -7.567 144 HB ILE 20 HB ILE 20 12.807 4.288 -7.014 145 HG12 ILE 20 HG12 ILE 20 9.831 4.801 -7.217 146 HG13 ILE 20 HG11 ILE 20 10.754 4.793 -5.718 147 HG21 ILE 20 HG21 ILE 20 10.924 4.075 -9.362 148 HG22 ILE 20 HG22 ILE 20 12.644 3.686 -9.368 149 HG23 ILE 20 HG23 ILE 20 12.119 5.351 -9.118 150 HD11 ILE 20 HD11 ILE 20 12.032 6.708 -6.477 151 HD12 ILE 20 HD12 ILE 20 10.303 7.057 -6.521 152 HD13 ILE 20 HD13 ILE 20 11.171 6.695 -8.015 153 H ALA 21 HN ALA 21 13.790 2.050 -6.199 154 HA ALA 21 HA ALA 21 15.015 0.972 -8.514 155 HB1 ALA 21 HB1 ALA 21 16.312 1.932 -6.686 156 HB2 ALA 21 HB2 ALA 21 16.802 0.266 -6.994 157 HB3 ALA 21 HB3 ALA 21 15.773 0.643 -5.611 158 H VAL 22 HN VAL 22 13.718 -0.565 -5.588 159 HA VAL 22 HA VAL 22 14.247 -3.219 -6.215 160 HB VAL 22 HB VAL 22 11.848 -2.173 -4.693 161 HG11 VAL 22 HG11 VAL 22 11.652 -4.534 -5.267 162 HG12 VAL 22 HG12 VAL 22 11.887 -4.319 -3.532 163 HG13 VAL 22 HG13 VAL 22 13.230 -4.849 -4.546 164 HG21 VAL 22 HG21 VAL 22 13.265 -2.519 -2.673 165 HG22 VAL 22 HG22 VAL 22 13.824 -1.213 -3.722 166 HG23 VAL 22 HG23 VAL 22 14.646 -2.780 -3.741 167 H LEU 23 HN LEU 23 11.475 -1.205 -7.067 168 HA LEU 23 HA LEU 23 9.940 -3.224 -8.331 169 HG LEU 23 HG LEU 23 8.580 -1.578 -10.464 170 HB2 LEU 23 HB2 LEU 23 9.073 -1.032 -7.540 171 HB3 LEU 23 HB1 LEU 23 9.949 -0.247 -8.839 172 HD11 LEU 23 HD11 LEU 23 6.500 -2.572 -9.641 173 HD12 LEU 23 HD12 LEU 23 7.016 -2.262 -7.983 174 HD13 LEU 23 HD13 LEU 23 7.921 -3.390 -8.993 175 HD21 LEU 23 HD21 LEU 23 8.064 0.746 -9.944 176 HD22 LEU 23 HD22 LEU 23 7.082 0.231 -8.574 177 HD23 LEU 23 HD23 LEU 23 6.589 -0.180 -10.217 178 H GLU 24 HN GLU 24 12.419 -1.008 -9.464 179 HA GLU 24 HA GLU 24 11.941 -1.412 -12.242 180 HB2 GLU 24 HB2 GLU 24 12.970 0.633 -11.341 181 HB3 GLU 24 HB1 GLU 24 14.371 -0.299 -10.832 182 HG2 GLU 24 HG2 GLU 24 14.826 -0.860 -13.182 183 HG3 GLU 24 HG1 GLU 24 13.456 0.139 -13.666 184 H LYS 25 HN LYS 25 14.292 -2.747 -9.937 185 HA LYS 25 HA LYS 25 16.005 -4.002 -11.730 186 HB2 LYS 25 HB2 LYS 25 15.293 -4.466 -8.880 187 HB3 LYS 25 HB1 LYS 25 16.189 -5.729 -9.710 188 HG2 LYS 25 HG2 LYS 25 17.703 -4.273 -8.530 189 HG3 LYS 25 HG1 LYS 25 17.940 -4.098 -10.267 190 HD2 LYS 25 HD2 LYS 25 16.693 -2.037 -10.272 191 HD3 LYS 25 HD1 LYS 25 16.281 -2.242 -8.569 192 HE2 LYS 25 HE2 LYS 25 19.044 -1.830 -9.702 193 HE3 LYS 25 HE1 LYS 25 18.079 -0.630 -8.846 194 HZ1 LYS 25 HZ1 LYS 25 19.182 -3.148 -7.724 195 HZ2 LYS 25 HZ2 LYS 25 18.125 -2.118 -6.894 196 HZ3 LYS 25 HZ3 LYS 25 19.663 -1.566 -7.345 197 H HIS 26 HN HIS 26 13.255 -5.520 -10.024 198 HA HIS 26 HA HIS 26 13.451 -7.877 -11.673 199 HD1 HIS 26 HD1 HIS 26 13.003 -10.392 -9.939 200 HD2 HIS 26 HD2 HIS 26 9.324 -8.768 -11.034 201 HE1 HIS 26 HE1 HIS 26 11.523 -12.357 -10.489 202 HE2 HIS 26 HE2 HIS 26 9.351 -11.356 -11.273 203 HB2 HIS 26 HB2 HIS 26 12.685 -7.895 -9.278 204 HB3 HIS 26 HB1 HIS 26 11.209 -7.097 -9.798 205 H LYS 27 HN LYS 27 12.003 -4.843 -11.917 206 HA LYS 27 HA LYS 27 10.447 -3.862 -13.218 207 HB2 LYS 27 HB2 LYS 27 11.986 -4.760 -14.990 208 HB3 LYS 27 HB1 LYS 27 10.911 -6.144 -15.144 209 HG2 LYS 27 HG2 LYS 27 9.063 -4.563 -15.693 210 HG3 LYS 27 HG1 LYS 27 10.253 -3.259 -15.703 211 HD2 LYS 27 HD2 LYS 27 11.488 -4.442 -17.474 212 HD3 LYS 27 HD1 LYS 27 10.239 -5.690 -17.491 213 HE2 LYS 27 HE2 LYS 27 9.739 -4.204 -19.273 214 HE3 LYS 27 HE1 LYS 27 8.581 -3.859 -17.990 215 HZ1 LYS 27 HZ1 LYS 27 10.144 -2.028 -17.297 216 HZ2 LYS 27 HZ2 LYS 27 9.345 -1.790 -18.773 217 HZ3 LYS 27 HZ3 LYS 27 10.969 -2.281 -18.760 218 H ALA 28 HN ALA 28 8.884 -4.412 -11.599 219 HA ALA 28 HA ALA 28 7.069 -6.597 -12.322 220 HB1 ALA 28 HB1 ALA 28 7.843 -6.490 -9.985 221 HB2 ALA 28 HB2 ALA 28 6.094 -6.311 -10.118 222 HB3 ALA 28 HB3 ALA 28 7.107 -4.896 -9.830 223 HA PRO 29 HA PRO 29 4.516 -3.506 -14.290 224 HB2 PRO 29 HB2 PRO 29 2.412 -5.173 -14.795 225 HB3 PRO 29 HB1 PRO 29 3.866 -5.108 -15.794 226 HG2 PRO 29 HG2 PRO 29 3.140 -7.042 -13.631 227 HG3 PRO 29 HG1 PRO 29 3.881 -7.357 -15.214 228 HD2 PRO 29 HD2 PRO 29 5.338 -7.279 -12.950 229 HD3 PRO 29 HD1 PRO 29 5.983 -6.696 -14.497 230 H VAL 30 HN VAL 30 2.396 -2.561 -13.932 231 HA VAL 30 HA VAL 30 1.874 -2.022 -11.260 232 HB VAL 30 HB VAL 30 -0.248 -0.988 -12.027 233 HG11 VAL 30 HG11 VAL 30 1.835 0.261 -12.126 234 HG12 VAL 30 HG12 VAL 30 0.793 0.686 -13.484 235 HG13 VAL 30 HG13 VAL 30 2.166 -0.391 -13.731 236 HG21 VAL 30 HG21 VAL 30 0.528 -2.028 -14.750 237 HG22 VAL 30 HG22 VAL 30 -0.844 -0.985 -14.374 238 HG23 VAL 30 HG23 VAL 30 -0.803 -2.643 -13.770 239 H ASP 31 HN ASP 31 0.647 -4.584 -13.267 240 HA ASP 31 HA ASP 31 -1.608 -5.295 -11.736 241 HB2 ASP 31 HB2 ASP 31 0.162 -7.103 -13.399 242 HB3 ASP 31 HB1 ASP 31 -1.479 -7.456 -12.870 243 H LEU 32 HN LEU 32 1.552 -6.944 -11.866 244 HA LEU 32 HA LEU 32 1.031 -8.501 -9.557 245 HG LEU 32 HG LEU 32 2.015 -9.324 -12.286 246 HB2 LEU 32 HB2 LEU 32 3.595 -7.905 -11.025 247 HB3 LEU 32 HB1 LEU 32 3.498 -9.015 -9.671 248 HD11 LEU 32 HD11 LEU 32 4.411 -9.664 -12.557 249 HD12 LEU 32 HD12 LEU 32 3.538 -11.190 -12.698 250 HD13 LEU 32 HD13 LEU 32 4.413 -10.807 -11.215 251 HD21 LEU 32 HD21 LEU 32 0.808 -10.271 -10.381 252 HD22 LEU 32 HD22 LEU 32 2.243 -11.191 -9.925 253 HD23 LEU 32 HD23 LEU 32 1.422 -11.533 -11.448 254 H SER 33 HN SER 33 2.629 -5.408 -10.053 255 HA SER 33 HA SER 33 3.883 -5.234 -7.537 256 HG SER 33 HG SER 33 3.888 -2.884 -6.895 257 HB2 SER 33 HB2 SER 33 4.451 -3.743 -9.413 258 HB3 SER 33 HB1 SER 33 2.856 -2.999 -9.309 259 H LEU 34 HN LEU 34 0.665 -4.268 -8.663 260 HA LEU 34 HA LEU 34 -0.114 -2.977 -6.272 261 HG LEU 34 HG LEU 34 -2.317 -1.982 -6.390 262 HB2 LEU 34 HB2 LEU 34 -1.162 -2.788 -8.588 263 HB3 LEU 34 HB1 LEU 34 -1.957 -4.311 -8.251 264 HD11 LEU 34 HD11 LEU 34 -3.893 -2.505 -8.909 265 HD12 LEU 34 HD12 LEU 34 -2.795 -1.152 -8.639 266 HD13 LEU 34 HD13 LEU 34 -4.266 -1.297 -7.679 267 HD21 LEU 34 HD21 LEU 34 -3.124 -4.185 -5.686 268 HD22 LEU 34 HD22 LEU 34 -4.086 -4.307 -7.159 269 HD23 LEU 34 HD23 LEU 34 -4.461 -3.067 -5.960 270 H ILE 35 HN ILE 35 -0.443 -6.294 -7.444 271 HA ILE 35 HA ILE 35 -2.045 -7.222 -5.306 272 HB ILE 35 HB ILE 35 -0.119 -8.876 -6.948 273 HG12 ILE 35 HG12 ILE 35 -3.031 -8.245 -7.485 274 HG13 ILE 35 HG11 ILE 35 -1.673 -7.549 -8.366 275 HG21 ILE 35 HG21 ILE 35 -2.614 -9.598 -5.410 276 HG22 ILE 35 HG22 ILE 35 -0.957 -10.017 -4.974 277 HG23 ILE 35 HG23 ILE 35 -1.687 -10.705 -6.425 278 HD11 ILE 35 HD11 ILE 35 -2.719 -9.354 -9.612 279 HD12 ILE 35 HD12 ILE 35 -2.410 -10.466 -8.279 280 HD13 ILE 35 HD13 ILE 35 -1.061 -9.766 -9.172 281 H ALA 36 HN ALA 36 1.470 -7.167 -5.813 282 HA ALA 36 HA ALA 36 2.234 -8.466 -3.464 283 HB1 ALA 36 HB1 ALA 36 4.389 -7.314 -3.752 284 HB2 ALA 36 HB2 ALA 36 3.660 -6.280 -4.980 285 HB3 ALA 36 HB3 ALA 36 3.807 -8.016 -5.260 286 H LEU 37 HN LEU 37 1.752 -5.001 -4.122 287 HA LEU 37 HA LEU 37 2.275 -4.090 -1.514 288 HG LEU 37 HG LEU 37 2.822 -3.033 -4.397 289 HB2 LEU 37 HB2 LEU 37 0.479 -2.902 -3.634 290 HB3 LEU 37 HB1 LEU 37 1.004 -2.070 -2.184 291 HD11 LEU 37 HD11 LEU 37 1.417 -1.154 -5.072 292 HD12 LEU 37 HD12 LEU 37 3.102 -0.666 -4.900 293 HD13 LEU 37 HD13 LEU 37 1.933 -0.253 -3.646 294 HD21 LEU 37 HD21 LEU 37 4.546 -1.742 -3.218 295 HD22 LEU 37 HD22 LEU 37 3.935 -3.073 -2.235 296 HD23 LEU 37 HD23 LEU 37 3.403 -1.422 -1.913 297 H GLY 38 HN GLY 38 -0.713 -5.127 -3.089 298 HA2 GLY 38 HA2 GLY 38 -2.495 -4.509 -1.007 299 HA3 GLY 38 HA1 GLY 38 -2.751 -5.734 -2.241 300 H ASN 39 HN ASN 39 -0.867 -7.598 -1.755 301 HA ASN 39 HA ASN 39 -1.843 -9.024 0.453 302 HB2 ASN 39 HB2 ASN 39 -0.707 -10.087 -1.464 303 HB3 ASN 39 HB1 ASN 39 0.815 -9.356 -0.963 304 HD21 ASN 39 HD21 ASN 39 1.831 -11.328 -0.691 305 HD22 ASN 39 HD22 ASN 39 1.459 -12.397 0.618 306 H MET 40 HN MET 40 1.059 -7.037 0.087 307 HA MET 40 HA MET 40 2.127 -7.573 2.646 308 HB2 MET 40 HB2 MET 40 3.450 -6.632 0.781 309 HB3 MET 40 HB1 MET 40 2.535 -5.135 0.901 310 HG2 MET 40 HG2 MET 40 3.391 -4.769 3.142 311 HG3 MET 40 HG1 MET 40 4.271 -6.293 3.070 312 HE1 MET 40 HE1 MET 40 3.941 -2.672 1.581 313 HE2 MET 40 HE2 MET 40 3.818 -3.691 0.147 314 HE3 MET 40 HE3 MET 40 5.231 -2.664 0.379 315 H ALA 41 HN ALA 41 0.183 -4.834 1.438 316 HA ALA 41 HA ALA 41 0.201 -3.344 3.808 317 HB1 ALA 41 HB1 ALA 41 -1.957 -3.395 1.694 318 HB2 ALA 41 HB2 ALA 41 -0.476 -2.442 1.620 319 HB3 ALA 41 HB3 ALA 41 -1.674 -2.112 2.871 320 H SER 42 HN SER 42 -2.194 -5.717 2.646 321 HA SER 42 HA SER 42 -3.990 -5.421 4.783 322 HG SER 42 HG SER 42 -3.049 -7.477 1.889 323 HB2 SER 42 HB2 SER 42 -4.739 -7.761 4.114 324 HB3 SER 42 HB1 SER 42 -4.760 -6.550 2.832 325 H ASN 43 HN ASN 43 -1.315 -7.697 4.296 326 HA ASN 43 HA ASN 43 -1.489 -9.077 6.720 327 HB2 ASN 43 HB2 ASN 43 -0.051 -9.856 4.930 328 HB3 ASN 43 HB1 ASN 43 0.926 -8.395 5.026 329 HD21 ASN 43 HD21 ASN 43 2.457 -8.204 6.619 330 HD22 ASN 43 HD22 ASN 43 2.935 -9.522 7.636 331 H LEU 44 HN LEU 44 0.310 -6.141 5.886 332 HA LEU 44 HA LEU 44 1.619 -5.741 8.320 333 HG LEU 44 HG LEU 44 3.458 -4.007 7.555 334 HB2 LEU 44 HB2 LEU 44 0.898 -4.080 5.990 335 HB3 LEU 44 HB1 LEU 44 1.236 -3.205 7.469 336 HD11 LEU 44 HD11 LEU 44 2.818 -5.831 5.246 337 HD12 LEU 44 HD12 LEU 44 2.937 -6.341 6.930 338 HD13 LEU 44 HD13 LEU 44 4.359 -5.704 6.097 339 HD21 LEU 44 HD21 LEU 44 2.766 -3.376 4.695 340 HD22 LEU 44 HD22 LEU 44 4.376 -3.283 5.407 341 HD23 LEU 44 HD23 LEU 44 3.101 -2.204 5.970 342 H LEU 45 HN LEU 45 -1.515 -4.456 7.226 343 HA LEU 45 HA LEU 45 -1.991 -2.937 9.552 344 HG LEU 45 HG LEU 45 -2.418 -2.467 6.540 345 HB2 LEU 45 HB2 LEU 45 -3.951 -4.106 7.575 346 HB3 LEU 45 HB1 LEU 45 -4.364 -2.925 8.803 347 HD11 LEU 45 HD11 LEU 45 -5.243 -1.495 6.940 348 HD12 LEU 45 HD12 LEU 45 -4.692 -2.650 5.725 349 HD13 LEU 45 HD13 LEU 45 -4.150 -0.973 5.657 350 HD21 LEU 45 HD21 LEU 45 -2.517 -0.120 7.249 351 HD22 LEU 45 HD22 LEU 45 -1.854 -1.160 8.508 352 HD23 LEU 45 HD23 LEU 45 -3.516 -0.586 8.626 353 H THR 46 HN THR 46 -2.501 -6.315 8.835 354 HA THR 46 HA THR 46 -4.125 -6.591 11.261 355 HB THR 46 HB THR 46 -4.338 -9.014 10.457 356 HG1 THR 46 HG1 THR 46 -3.478 -7.838 7.999 357 HG21 THR 46 HG21 THR 46 -5.471 -6.758 8.806 358 HG22 THR 46 HG22 THR 46 -6.155 -7.416 10.293 359 HG23 THR 46 HG23 THR 46 -6.092 -8.406 8.833 360 H THR 47 HN THR 47 -1.014 -6.332 10.872 361 HA THR 47 HA THR 47 -0.404 -8.401 12.871 362 HB THR 47 HB THR 47 1.466 -7.694 10.603 363 HG1 THR 47 HG1 THR 47 -0.187 -8.853 9.700 364 HG21 THR 47 HG21 THR 47 2.706 -9.671 11.352 365 HG22 THR 47 HG22 THR 47 1.551 -9.902 12.665 366 HG23 THR 47 HG23 THR 47 2.584 -8.472 12.639 367 H SER 48 HN SER 48 0.660 -5.352 11.344 368 HA SER 48 HA SER 48 2.655 -4.951 13.398 369 HG SER 48 HG SER 48 3.732 -5.181 11.293 370 HB2 SER 48 HB2 SER 48 1.809 -3.094 11.165 371 HB3 SER 48 HB1 SER 48 3.285 -2.986 12.125 372 H VAL 49 HN VAL 49 -0.142 -3.030 12.269 373 HA VAL 49 HA VAL 49 -0.041 -1.443 14.694 374 HB VAL 49 HB VAL 49 -1.943 -0.198 13.698 375 HG11 VAL 49 HG11 VAL 49 0.364 0.471 13.232 376 HG12 VAL 49 HG12 VAL 49 -0.695 0.805 11.861 377 HG13 VAL 49 HG13 VAL 49 0.387 -0.587 11.820 378 HG21 VAL 49 HG21 VAL 49 -1.616 -2.145 11.418 379 HG22 VAL 49 HG22 VAL 49 -2.590 -0.676 11.365 380 HG23 VAL 49 HG23 VAL 49 -3.021 -1.982 12.470 381 HA PRO 50 HA PRO 50 -3.251 -3.278 17.184 382 HB2 PRO 50 HB2 PRO 50 -5.035 -0.977 16.503 383 HB3 PRO 50 HB1 PRO 50 -4.660 -1.678 18.082 384 HG2 PRO 50 HG2 PRO 50 -3.529 0.603 17.319 385 HG3 PRO 50 HG1 PRO 50 -2.600 -0.617 18.211 386 HD2 PRO 50 HD2 PRO 50 -2.506 0.102 15.323 387 HD3 PRO 50 HD1 PRO 50 -1.206 -0.454 16.396 388 H GLN 51 HN GLN 51 -4.323 -4.991 16.498 389 HA GLN 51 HA GLN 51 -4.930 -5.447 13.849 390 HB2 GLN 51 HB2 GLN 51 -5.932 -6.866 16.314 391 HB3 GLN 51 HB1 GLN 51 -6.137 -7.475 14.676 392 HG2 GLN 51 HG2 GLN 51 -3.716 -7.552 14.393 393 HG3 GLN 51 HG1 GLN 51 -3.503 -6.921 16.023 394 HE21 GLN 51 HE21 GLN 51 -2.605 -9.436 14.819 395 HE22 GLN 51 HE22 GLN 51 -3.246 -10.690 15.819 396 H THR 52 HN THR 52 -7.217 -4.515 16.424 397 HA THR 52 HA THR 52 -9.396 -4.671 14.514 398 HB THR 52 HB THR 52 -10.546 -3.641 16.735 399 HG1 THR 52 HG1 THR 52 -8.791 -5.479 17.908 400 HG21 THR 52 HG21 THR 52 -9.872 -6.524 16.181 401 HG22 THR 52 HG22 THR 52 -11.223 -5.625 15.497 402 HG23 THR 52 HG23 THR 52 -11.172 -5.958 17.229 403 H GLN 53 HN GLN 53 -7.254 -2.300 15.642 404 HA GLN 53 HA GLN 53 -9.084 -0.106 15.036 405 HB2 GLN 53 HB2 GLN 53 -7.598 -0.074 17.069 406 HB3 GLN 53 HB1 GLN 53 -6.216 0.028 15.990 407 HG2 GLN 53 HG2 GLN 53 -6.975 2.162 15.155 408 HG3 GLN 53 HG1 GLN 53 -8.444 2.047 16.124 409 HE21 GLN 53 HE21 GLN 53 -7.986 3.959 17.228 410 HE22 GLN 53 HE22 GLN 53 -6.737 4.049 18.420 411 H CYS 54 HN CYS 54 -7.136 -2.145 13.380 412 HA CYS 54 HA CYS 54 -5.616 -0.309 11.795 413 HG CYS 54 HG CYS 54 -6.896 -4.523 11.908 414 HB2 CYS 54 HB2 CYS 54 -4.975 -2.189 10.467 415 HB3 CYS 54 HB1 CYS 54 -5.020 -2.726 12.141 416 H GLU 55 HN GLU 55 -8.779 -1.737 11.567 417 HA GLU 55 HA GLU 55 -9.355 -1.138 8.888 418 HB2 GLU 55 HB2 GLU 55 -10.714 -2.602 10.410 419 HB3 GLU 55 HB1 GLU 55 -11.299 -1.146 11.204 420 HG2 GLU 55 HG2 GLU 55 -12.218 -0.382 9.049 421 HG3 GLU 55 HG1 GLU 55 -11.711 -1.907 8.325 422 H ALA 56 HN ALA 56 -9.576 0.749 11.846 423 HA ALA 56 HA ALA 56 -10.857 3.019 10.764 424 HB1 ALA 56 HB1 ALA 56 -10.054 4.194 12.745 425 HB2 ALA 56 HB2 ALA 56 -8.951 2.863 13.100 426 HB3 ALA 56 HB3 ALA 56 -10.694 2.608 13.178 427 H LEU 57 HN LEU 57 -7.443 2.164 11.188 428 HA LEU 57 HA LEU 57 -6.376 4.530 10.076 429 HG LEU 57 HG LEU 57 -3.569 2.945 11.858 430 HB2 LEU 57 HB2 LEU 57 -5.313 1.785 10.580 431 HB3 LEU 57 HB1 LEU 57 -4.381 2.882 9.583 432 HD11 LEU 57 HD11 LEU 57 -5.098 5.454 11.203 433 HD12 LEU 57 HD12 LEU 57 -3.512 5.016 10.570 434 HD13 LEU 57 HD13 LEU 57 -3.717 5.327 12.295 435 HD21 LEU 57 HD21 LEU 57 -4.949 3.723 13.708 436 HD22 LEU 57 HD22 LEU 57 -5.599 2.238 13.011 437 HD23 LEU 57 HD23 LEU 57 -6.352 3.790 12.642 438 H ALA 58 HN ALA 58 -7.275 1.428 8.637 439 HA ALA 58 HA ALA 58 -6.280 1.933 6.049 440 HB1 ALA 58 HB1 ALA 58 -7.776 0.135 5.324 441 HB2 ALA 58 HB2 ALA 58 -8.598 0.191 6.883 442 HB3 ALA 58 HB3 ALA 58 -6.905 -0.301 6.793 443 H GLN 59 HN GLN 59 -9.442 2.566 7.526 444 HA GLN 59 HA GLN 59 -10.630 3.692 5.215 445 HB2 GLN 59 HB2 GLN 59 -11.235 3.841 8.150 446 HB3 GLN 59 HB1 GLN 59 -12.121 4.845 7.010 447 HG2 GLN 59 HG2 GLN 59 -11.921 1.849 6.852 448 HG3 GLN 59 HG1 GLN 59 -13.255 2.727 7.597 449 HE21 GLN 59 HE21 GLN 59 -13.191 4.865 5.600 450 HE22 GLN 59 HE22 GLN 59 -13.874 4.187 4.164 451 H ALA 60 HN ALA 60 -8.735 5.060 7.858 452 HA ALA 60 HA ALA 60 -9.008 7.767 7.141 453 HB1 ALA 60 HB1 ALA 60 -7.045 8.161 8.512 454 HB2 ALA 60 HB2 ALA 60 -6.665 6.438 8.499 455 HB3 ALA 60 HB3 ALA 60 -8.122 7.015 9.308 456 H PHE 61 HN PHE 61 -6.643 5.301 6.212 457 HA PHE 61 HA PHE 61 -5.043 6.918 4.556 458 HD1 PHE 61 HD2 PHE 61 -2.640 6.208 4.149 459 HD2 PHE 61 HD1 PHE 61 -4.964 3.215 2.207 460 HE1 PHE 61 HE2 PHE 61 -0.984 6.102 2.334 461 HE2 PHE 61 HE1 PHE 61 -3.314 3.107 0.392 462 HZ PHE 61 HZ PHE 61 -1.321 4.552 0.450 463 HB2 PHE 61 HB2 PHE 61 -4.396 4.660 5.351 464 HB3 PHE 61 HB1 PHE 61 -5.613 3.953 4.295 465 H SER 62 HN SER 62 -7.981 5.070 3.934 466 HA SER 62 HA SER 62 -8.164 5.404 1.169 467 HG SER 62 HG SER 62 -11.333 4.191 1.207 468 HB2 SER 62 HB2 SER 62 -9.641 3.924 2.501 469 HB3 SER 62 HB1 SER 62 -10.424 5.345 3.188 470 H ASN 63 HN ASN 63 -9.715 7.348 3.721 471 HA ASN 63 HA ASN 63 -10.708 9.372 2.090 472 HB2 ASN 63 HB2 ASN 63 -9.888 9.366 4.987 473 HB3 ASN 63 HB1 ASN 63 -10.545 10.805 4.217 474 HD21 ASN 63 HD21 ASN 63 -11.220 7.620 5.404 475 HD22 ASN 63 HD22 ASN 63 -12.944 7.721 5.285 476 H SER 64 HN SER 64 -7.497 8.949 3.447 477 HA SER 64 HA SER 64 -6.496 11.517 2.827 478 HG SER 64 HG SER 64 -6.115 9.363 4.940 479 HB2 SER 64 HB2 SER 64 -4.994 8.894 3.029 480 HB3 SER 64 HB1 SER 64 -4.276 10.504 3.094 481 H LEU 65 HN LEU 65 -6.588 8.469 1.018 482 HA LEU 65 HA LEU 65 -5.221 9.441 -1.271 483 HG LEU 65 HG LEU 65 -5.126 6.759 0.282 484 HB2 LEU 65 HB2 LEU 65 -7.193 7.173 -0.978 485 HB3 LEU 65 HB1 LEU 65 -6.251 7.486 -2.422 486 HD11 LEU 65 HD11 LEU 65 -5.340 5.174 -2.276 487 HD12 LEU 65 HD12 LEU 65 -6.260 4.891 -0.798 488 HD13 LEU 65 HD13 LEU 65 -4.512 4.652 -0.809 489 HD21 LEU 65 HD21 LEU 65 -3.748 7.170 -2.370 490 HD22 LEU 65 HD22 LEU 65 -2.985 6.589 -0.890 491 HD23 LEU 65 HD23 LEU 65 -3.630 8.229 -0.965 492 H ILE 66 HN ILE 66 -8.639 9.271 -0.365 493 HA ILE 66 HA ILE 66 -9.748 10.207 -2.771 494 HB ILE 66 HB ILE 66 -10.830 10.909 -0.038 495 HG12 ILE 66 HG12 ILE 66 -10.358 8.523 -0.016 496 HG13 ILE 66 HG11 ILE 66 -12.093 8.784 -0.125 497 HG21 ILE 66 HG21 ILE 66 -12.998 10.801 -1.159 498 HG22 ILE 66 HG22 ILE 66 -12.194 10.409 -2.678 499 HG23 ILE 66 HG23 ILE 66 -11.933 11.982 -1.923 500 HD11 ILE 66 HD11 ILE 66 -11.338 6.958 -1.552 501 HD12 ILE 66 HD12 ILE 66 -10.288 8.077 -2.425 502 HD13 ILE 66 HD13 ILE 66 -12.039 8.275 -2.493 503 H ASN 67 HN ASN 67 -8.557 11.918 0.086 504 HA ASN 67 HA ASN 67 -9.029 14.543 -0.809 505 HB2 ASN 67 HB2 ASN 67 -8.529 14.176 1.502 506 HB3 ASN 67 HB1 ASN 67 -6.995 13.407 1.113 507 HD21 ASN 67 HD21 ASN 67 -5.226 14.654 0.664 508 HD22 ASN 67 HD22 ASN 67 -5.196 16.367 0.890 509 H ALA 68 HN ALA 68 -6.283 12.360 -1.250 510 HA ALA 68 HA ALA 68 -4.556 14.177 -2.519 511 HB1 ALA 68 HB1 ALA 68 -3.823 12.000 -1.664 512 HB2 ALA 68 HB2 ALA 68 -3.369 12.228 -3.352 513 HB3 ALA 68 HB3 ALA 68 -4.739 11.196 -2.939 514 H VAL 69 HN VAL 69 -6.923 11.895 -3.865 515 HA VAL 69 HA VAL 69 -6.597 12.540 -6.571 516 HB VAL 69 HB VAL 69 -9.130 11.691 -5.151 517 HG11 VAL 69 HG11 VAL 69 -9.896 10.942 -7.345 518 HG12 VAL 69 HG12 VAL 69 -8.427 11.582 -8.081 519 HG13 VAL 69 HG13 VAL 69 -9.590 12.680 -7.338 520 HG21 VAL 69 HG21 VAL 69 -7.336 10.096 -4.827 521 HG22 VAL 69 HG22 VAL 69 -7.013 10.071 -6.561 522 HG23 VAL 69 HG23 VAL 69 -8.536 9.436 -5.938 523 H LYS 70 HN LYS 70 -8.818 13.891 -4.146 524 HA LYS 70 HA LYS 70 -10.078 15.771 -5.761 525 HB2 LYS 70 HB2 LYS 70 -10.981 15.430 -3.602 526 HB3 LYS 70 HB1 LYS 70 -9.444 15.775 -2.819 527 HG2 LYS 70 HG2 LYS 70 -9.610 18.110 -3.441 528 HG3 LYS 70 HG1 LYS 70 -11.104 17.790 -4.319 529 HD2 LYS 70 HD2 LYS 70 -10.820 17.200 -1.387 530 HD3 LYS 70 HD1 LYS 70 -11.299 18.792 -1.979 531 HE2 LYS 70 HE2 LYS 70 -12.723 16.186 -2.504 532 HE3 LYS 70 HE1 LYS 70 -13.256 17.466 -1.416 533 HZ1 LYS 70 HZ1 LYS 70 -13.176 17.465 -4.366 534 HZ2 LYS 70 HZ2 LYS 70 -13.164 18.927 -3.513 535 HZ3 LYS 70 HZ3 LYS 70 -14.465 17.855 -3.335 536 H THR 71 HN THR 71 -7.086 16.104 -3.866 537 HA THR 71 HA THR 71 -6.722 18.844 -4.491 538 HB THR 71 HB THR 71 -4.525 16.922 -3.723 539 HG1 THR 71 HG1 THR 71 -6.235 16.676 -2.236 540 HG21 THR 71 HG21 THR 71 -3.856 19.202 -4.385 541 HG22 THR 71 HG22 THR 71 -3.542 18.891 -2.675 542 HG23 THR 71 HG23 THR 71 -4.938 19.858 -3.155 543 H ARG 72 HN ARG 72 -6.108 15.966 -6.275 544 HA ARG 72 HA ARG 72 -4.101 17.139 -7.992 545 HE ARG 72 HE ARG 72 -1.772 15.351 -11.197 546 HB2 ARG 72 HB2 ARG 72 -4.261 14.680 -7.407 547 HB3 ARG 72 HB1 ARG 72 -5.667 14.603 -8.458 548 HG2 ARG 72 HG2 ARG 72 -3.803 13.833 -9.702 549 HG3 ARG 72 HG1 ARG 72 -4.218 15.433 -10.318 550 HD2 ARG 72 HD2 ARG 72 -2.423 16.431 -9.032 551 HD3 ARG 72 HD1 ARG 72 -2.047 14.872 -8.300 552 HH11 ARG 72 HH11 ARG 72 -0.475 14.222 -8.141 553 HH12 ARG 72 HH12 ARG 72 0.953 13.543 -8.869 554 HH21 ARG 72 HH21 ARG 72 0.118 14.495 -12.134 555 HH22 ARG 72 HH22 ARG 72 1.293 13.699 -11.119 556 H LEU 73 HN LEU 73 -7.560 16.456 -8.116 557 HA LEU 73 HA LEU 73 -7.703 17.377 -10.884 558 HG LEU 73 HG LEU 73 -8.174 14.525 -9.660 559 HB2 LEU 73 HB2 LEU 73 -9.841 16.238 -9.086 560 HB3 LEU 73 HB1 LEU 73 -10.040 16.616 -10.787 561 HD11 LEU 73 HD11 LEU 73 -9.714 12.931 -10.697 562 HD12 LEU 73 HD12 LEU 73 -10.779 14.261 -11.154 563 HD13 LEU 73 HD13 LEU 73 -10.510 13.892 -9.451 564 HD21 LEU 73 HD21 LEU 73 -7.836 13.876 -11.989 565 HD22 LEU 73 HD22 LEU 73 -7.304 15.533 -11.707 566 HD23 LEU 73 HD23 LEU 73 -8.839 15.227 -12.518 567 H GLU 74 HN GLU 74 -8.400 18.512 -7.695 568 HA GLU 74 HA GLU 74 -10.141 20.638 -8.711 569 HB2 GLU 74 HB2 GLU 74 -10.805 19.263 -6.712 570 HB3 GLU 74 HB1 GLU 74 -9.450 19.968 -5.845 571 HG2 GLU 74 HG2 GLU 74 -10.435 22.188 -6.120 572 HG3 GLU 74 HG1 GLU 74 -11.801 21.469 -6.976 573 H HIS 75 HN HIS 75 -8.963 22.235 -9.526 574 HA HIS 75 HA HIS 75 -6.510 23.067 -8.145 575 HD1 HIS 75 HD1 HIS 75 -7.586 21.518 -11.940 576 HD2 HIS 75 HD2 HIS 75 -8.551 25.546 -11.511 577 HE1 HIS 75 HE1 HIS 75 -9.322 21.995 -13.700 578 HE2 HIS 75 HE2 HIS 75 -9.853 24.448 -13.462 579 HB2 HIS 75 HB2 HIS 75 -6.208 24.502 -10.263 580 HB3 HIS 75 HB1 HIS 75 -6.006 22.763 -10.417 581 H HIS 76 HN HIS 76 -6.414 24.863 -6.999 582 HA HIS 76 HA HIS 76 -8.852 26.495 -6.869 583 HD1 HIS 76 HD1 HIS 76 -6.524 23.819 -4.470 584 HD2 HIS 76 HD2 HIS 76 -10.342 25.443 -4.277 585 HE1 HIS 76 HE1 HIS 76 -7.990 21.993 -3.558 586 HE2 HIS 76 HE2 HIS 76 -10.331 22.919 -3.697 587 HB2 HIS 76 HB2 HIS 76 -6.556 26.295 -4.904 588 HB3 HIS 76 HB1 HIS 76 -8.073 27.157 -4.649 589 H HIS 77 HN HIS 77 -7.500 28.649 -5.476 590 HA HIS 77 HA HIS 77 -6.668 30.700 -5.930 591 HD1 HIS 77 HD1 HIS 77 -2.432 30.552 -7.931 592 HD2 HIS 77 HD2 HIS 77 -5.663 32.757 -6.518 593 HE1 HIS 77 HE1 HIS 77 -1.685 32.953 -7.973 594 HE2 HIS 77 HE2 HIS 77 -3.614 34.259 -6.998 595 HB2 HIS 77 HB2 HIS 77 -4.554 29.337 -6.233 596 HB3 HIS 77 HB1 HIS 77 -4.880 29.332 -7.961 597 H HIS 78 HN HIS 78 -9.013 29.908 -7.238 598 HA HIS 78 HA HIS 78 -8.978 30.505 -9.999 599 HD1 HIS 78 HD1 HIS 78 -10.969 30.064 -6.163 600 HD2 HIS 78 HD2 HIS 78 -13.085 32.306 -8.959 601 HE1 HIS 78 HE1 HIS 78 -12.662 31.379 -4.845 602 HE2 HIS 78 HE2 HIS 78 -14.020 32.618 -6.572 603 HB2 HIS 78 HB2 HIS 78 -11.356 30.479 -9.925 604 HB3 HIS 78 HB1 HIS 78 -10.819 29.271 -8.771 605 H HIS 79 HN HIS 79 -8.489 32.349 -10.906 606 HA HIS 79 HA HIS 79 -8.378 34.735 -9.247 607 HD1 HIS 79 HD1 HIS 79 -7.122 36.975 -12.611 608 HD2 HIS 79 HD2 HIS 79 -5.684 35.876 -8.866 609 HE1 HIS 79 HE1 HIS 79 -5.902 38.993 -11.729 610 HE2 HIS 79 HE2 HIS 79 -4.850 38.219 -9.575 611 HB2 HIS 79 HB2 HIS 79 -6.525 33.868 -10.830 612 HB3 HIS 79 HB1 HIS 79 -7.500 34.560 -12.121 613 H HIS 80 HN HIS 80 -10.315 33.408 -11.758 614 HA HIS 80 HA HIS 80 -12.173 35.573 -11.610 615 HD1 HIS 80 HD1 HIS 80 -12.132 35.416 -16.138 616 HD2 HIS 80 HD2 HIS 80 -13.325 37.832 -12.967 617 HE1 HIS 80 HE1 HIS 80 -14.101 36.735 -16.985 618 HE2 HIS 80 HE2 HIS 80 -14.937 38.013 -14.985 619 HB2 HIS 80 HB2 HIS 80 -10.578 36.600 -13.153 620 HB3 HIS 80 HB1 HIS 80 -10.635 35.182 -14.192 621 HA MET 1 HA MET 1 7.410 -20.889 -13.432 622 H1 MET 1 HT1 MET 1 5.119 -20.799 -13.912 623 H2 MET 1 HT2 MET 1 5.344 -19.690 -15.175 624 H3 MET 1 HT3 MET 1 5.598 -19.207 -13.576 625 HB2 MET 1 HB2 MET 1 6.952 -20.887 -16.426 626 HB3 MET 1 HB1 MET 1 8.376 -21.555 -15.643 627 HG2 MET 1 HG2 MET 1 6.995 -23.186 -14.487 628 HG3 MET 1 HG1 MET 1 5.549 -22.503 -15.227 629 HE1 MET 1 HE1 MET 1 4.788 -24.849 -16.189 630 HE2 MET 1 HE2 MET 1 6.175 -25.579 -15.380 631 HE3 MET 1 HE3 MET 1 5.862 -25.929 -17.079 632 H ALA 2 HN ALA 2 9.570 -20.306 -15.037 633 HA ALA 2 HA ALA 2 10.261 -17.672 -14.400 634 HB1 ALA 2 HB1 ALA 2 12.193 -17.990 -15.843 635 HB2 ALA 2 HB2 ALA 2 11.434 -19.402 -16.578 636 HB3 ALA 2 HB3 ALA 2 11.904 -19.440 -14.879 637 H GLN 3 HN GLN 3 9.318 -19.059 -17.541 638 HA GLN 3 HA GLN 3 8.854 -16.510 -18.753 639 HB2 GLN 3 HB2 GLN 3 7.955 -19.304 -19.504 640 HB3 GLN 3 HB1 GLN 3 7.653 -17.880 -20.489 641 HG2 GLN 3 HG2 GLN 3 10.041 -17.534 -20.755 642 HG3 GLN 3 HG1 GLN 3 10.369 -18.923 -19.722 643 HE21 GLN 3 HE21 GLN 3 10.054 -20.991 -20.521 644 HE22 GLN 3 HE22 GLN 3 9.853 -21.311 -22.208 645 H HIS 4 HN HIS 4 7.012 -15.310 -18.737 646 HA HIS 4 HA HIS 4 5.042 -16.168 -16.762 647 HD1 HIS 4 HD1 HIS 4 4.250 -12.481 -19.197 648 HD2 HIS 4 HD2 HIS 4 8.038 -13.007 -17.553 649 HE1 HIS 4 HE1 HIS 4 5.776 -10.947 -20.484 650 HE2 HIS 4 HE2 HIS 4 8.088 -11.415 -19.589 651 HB2 HIS 4 HB2 HIS 4 4.284 -13.728 -16.909 652 HB3 HIS 4 HB1 HIS 4 5.851 -14.045 -16.179 653 H SER 5 HN SER 5 3.562 -17.403 -17.677 654 HA SER 5 HA SER 5 2.236 -16.495 -20.118 655 HG SER 5 HG SER 5 3.274 -18.866 -20.942 656 HB2 SER 5 HB2 SER 5 1.778 -19.051 -18.557 657 HB3 SER 5 HB1 SER 5 1.231 -18.693 -20.196 658 H LYS 6 HN LYS 6 1.375 -17.572 -16.829 659 HA LYS 6 HA LYS 6 -0.921 -15.750 -16.902 660 HB2 LYS 6 HB2 LYS 6 -1.828 -17.931 -17.435 661 HB3 LYS 6 HB1 LYS 6 -0.988 -18.659 -16.074 662 HG2 LYS 6 HG2 LYS 6 -2.372 -17.288 -14.543 663 HG3 LYS 6 HG1 LYS 6 -3.264 -16.689 -15.945 664 HD2 LYS 6 HD2 LYS 6 -4.104 -18.846 -16.448 665 HD3 LYS 6 HD1 LYS 6 -2.981 -19.618 -15.327 666 HE2 LYS 6 HE2 LYS 6 -5.221 -17.756 -14.548 667 HE3 LYS 6 HE1 LYS 6 -5.277 -19.514 -14.446 668 HZ1 LYS 6 HZ1 LYS 6 -3.298 -19.354 -12.948 669 HZ2 LYS 6 HZ2 LYS 6 -4.725 -18.706 -12.305 670 HZ3 LYS 6 HZ3 LYS 6 -3.527 -17.674 -12.909 671 H TYR 7 HN TYR 7 0.603 -14.471 -15.657 672 HA TYR 7 HA TYR 7 1.584 -13.742 -13.709 673 HD1 TYR 7 HD2 TYR 7 1.162 -11.409 -13.447 674 HD2 TYR 7 HD1 TYR 7 -2.612 -13.014 -14.575 675 HE1 TYR 7 HE2 TYR 7 0.758 -9.440 -14.856 676 HE2 TYR 7 HE1 TYR 7 -3.027 -11.047 -15.995 677 HH TYR 7 HH TYR 7 -2.280 -8.692 -16.161 678 HB2 TYR 7 HB2 TYR 7 -1.325 -14.169 -13.041 679 HB3 TYR 7 HB1 TYR 7 -0.222 -13.220 -12.045 680 H SER 8 HN SER 8 2.974 -15.521 -13.292 681 HA SER 8 HA SER 8 2.327 -17.750 -11.774 682 HG SER 8 HG SER 8 3.529 -18.131 -13.601 683 HB2 SER 8 HB2 SER 8 4.970 -16.325 -12.040 684 HB3 SER 8 HB1 SER 8 4.752 -17.949 -11.386 685 H ASP 9 HN ASP 9 1.763 -17.994 -9.772 686 HA ASP 9 HA ASP 9 1.831 -16.031 -7.771 687 HB2 ASP 9 HB2 ASP 9 1.951 -19.038 -7.380 688 HB3 ASP 9 HB1 ASP 9 1.418 -17.850 -6.195 689 H ALA 10 HN ALA 10 4.220 -18.042 -9.131 690 HA ALA 10 HA ALA 10 6.104 -17.987 -6.970 691 HB1 ALA 10 HB1 ALA 10 6.204 -19.728 -8.678 692 HB2 ALA 10 HB2 ALA 10 7.707 -18.806 -8.637 693 HB3 ALA 10 HB3 ALA 10 6.527 -18.512 -9.914 694 H GLN 11 HN GLN 11 5.403 -16.041 -9.816 695 HA GLN 11 HA GLN 11 7.663 -14.315 -9.593 696 HB2 GLN 11 HB2 GLN 11 4.961 -13.992 -10.898 697 HB3 GLN 11 HB1 GLN 11 6.167 -12.715 -10.918 698 HG2 GLN 11 HG2 GLN 11 6.631 -15.480 -11.989 699 HG3 GLN 11 HG1 GLN 11 6.093 -14.117 -12.969 700 HE21 GLN 11 HE21 GLN 11 8.515 -15.701 -13.174 701 HE22 GLN 11 HE22 GLN 11 9.829 -14.591 -13.032 702 H LEU 12 HN LEU 12 4.301 -14.085 -8.523 703 HA LEU 12 HA LEU 12 4.448 -11.561 -7.336 704 HG LEU 12 HG LEU 12 2.679 -12.017 -4.904 705 HB2 LEU 12 HB2 LEU 12 2.334 -12.729 -7.816 706 HB3 LEU 12 HB1 LEU 12 2.696 -13.893 -6.551 707 HD11 LEU 12 HD11 LEU 12 1.658 -9.901 -5.556 708 HD12 LEU 12 HD12 LEU 12 1.602 -10.442 -7.234 709 HD13 LEU 12 HD13 LEU 12 3.156 -10.192 -6.439 710 HD21 LEU 12 HD21 LEU 12 0.734 -13.447 -5.172 711 HD22 LEU 12 HD22 LEU 12 0.142 -12.420 -6.480 712 HD23 LEU 12 HD23 LEU 12 0.245 -11.782 -4.833 713 H SER 13 HN SER 13 4.705 -14.777 -5.787 714 HA SER 13 HA SER 13 5.025 -13.814 -3.190 715 HG SER 13 HG SER 13 6.431 -17.464 -4.239 716 HB2 SER 13 HB2 SER 13 5.945 -16.060 -2.671 717 HB3 SER 13 HB1 SER 13 4.456 -16.133 -3.613 718 H ALA 14 HN ALA 14 7.457 -14.558 -5.661 719 HA ALA 14 HA ALA 14 9.740 -14.205 -4.094 720 HB1 ALA 14 HB1 ALA 14 9.378 -13.543 -7.014 721 HB2 ALA 14 HB2 ALA 14 9.818 -15.118 -6.353 722 HB3 ALA 14 HB3 ALA 14 10.920 -13.749 -6.185 723 H ILE 15 HN ILE 15 7.799 -11.828 -5.864 724 HA ILE 15 HA ILE 15 9.477 -9.612 -5.301 725 HB ILE 15 HB ILE 15 6.527 -9.655 -5.962 726 HG12 ILE 15 HG12 ILE 15 8.921 -9.211 -7.764 727 HG13 ILE 15 HG11 ILE 15 8.020 -10.720 -7.656 728 HG21 ILE 15 HG21 ILE 15 6.864 -7.320 -6.657 729 HG22 ILE 15 HG22 ILE 15 8.525 -7.395 -6.066 730 HG23 ILE 15 HG23 ILE 15 7.180 -7.551 -4.937 731 HD11 ILE 15 HD11 ILE 15 7.366 -9.421 -9.601 732 HD12 ILE 15 HD12 ILE 15 6.914 -8.072 -8.557 733 HD13 ILE 15 HD13 ILE 15 6.024 -9.592 -8.469 734 H VAL 16 HN VAL 16 6.421 -10.709 -3.797 735 HA VAL 16 HA VAL 16 6.274 -8.560 -1.975 736 HB VAL 16 HB VAL 16 5.070 -11.214 -1.281 737 HG11 VAL 16 HG11 VAL 16 3.964 -8.410 -1.148 738 HG12 VAL 16 HG12 VAL 16 4.781 -9.235 0.184 739 HG13 VAL 16 HG13 VAL 16 3.260 -9.868 -0.445 740 HG21 VAL 16 HG21 VAL 16 4.667 -11.032 -3.660 741 HG22 VAL 16 HG22 VAL 16 4.061 -9.388 -3.455 742 HG23 VAL 16 HG23 VAL 16 3.174 -10.748 -2.766 743 H ASN 17 HN ASN 17 7.633 -11.830 -1.652 744 HA ASN 17 HA ASN 17 8.104 -11.557 1.156 745 HB2 ASN 17 HB2 ASN 17 8.983 -13.580 -0.888 746 HB3 ASN 17 HB1 ASN 17 9.603 -13.621 0.760 747 HD21 ASN 17 HD21 ASN 17 6.854 -14.102 -1.278 748 HD22 ASN 17 HD22 ASN 17 5.842 -14.849 -0.088 749 H ASP 18 HN ASP 18 9.995 -10.889 -1.729 750 HA ASP 18 HA ASP 18 12.462 -10.637 -0.323 751 HB2 ASP 18 HB2 ASP 18 12.167 -11.031 -2.851 752 HB3 ASP 18 HB1 ASP 18 11.838 -9.303 -2.959 753 H MET 19 HN MET 19 9.933 -8.432 -1.457 754 HA MET 19 HA MET 19 11.030 -6.009 -0.652 755 HB2 MET 19 HB2 MET 19 8.182 -6.968 -0.787 756 HB3 MET 19 HB1 MET 19 8.572 -5.342 -0.241 757 HG2 MET 19 HG2 MET 19 9.705 -4.914 -2.376 758 HG3 MET 19 HG1 MET 19 9.251 -6.528 -2.922 759 HE1 MET 19 HE1 MET 19 8.232 -5.231 -5.092 760 HE2 MET 19 HE2 MET 19 8.603 -3.667 -4.372 761 HE3 MET 19 HE3 MET 19 6.979 -3.995 -4.972 762 H ILE 20 HN ILE 20 9.051 -8.275 1.264 763 HA ILE 20 HA ILE 20 9.027 -6.889 3.671 764 HB ILE 20 HB ILE 20 9.239 -9.883 3.275 765 HG12 ILE 20 HG12 ILE 20 6.824 -8.111 3.710 766 HG13 ILE 20 HG11 ILE 20 7.291 -8.823 2.171 767 HG21 ILE 20 HG21 ILE 20 8.266 -10.049 5.531 768 HG22 ILE 20 HG22 ILE 20 8.387 -8.297 5.698 769 HG23 ILE 20 HG23 ILE 20 9.849 -9.271 5.546 770 HD11 ILE 20 HD11 ILE 20 6.967 -11.059 3.129 771 HD12 ILE 20 HD12 ILE 20 5.498 -10.084 3.176 772 HD13 ILE 20 HD13 ILE 20 6.449 -10.317 4.643 773 H ALA 21 HN ALA 21 11.475 -9.125 2.415 774 HA ALA 21 HA ALA 21 13.191 -8.983 4.663 775 HB1 ALA 21 HB1 ALA 21 13.886 -9.696 1.814 776 HB2 ALA 21 HB2 ALA 21 13.273 -10.815 3.032 777 HB3 ALA 21 HB3 ALA 21 14.849 -10.053 3.248 778 H VAL 22 HN VAL 22 12.993 -7.137 1.667 779 HA VAL 22 HA VAL 22 15.416 -5.680 2.029 780 HB VAL 22 HB VAL 22 12.973 -4.869 0.429 781 HG11 VAL 22 HG11 VAL 22 14.523 -3.029 0.800 782 HG12 VAL 22 HG12 VAL 22 14.542 -3.535 -0.890 783 HG13 VAL 22 HG13 VAL 22 15.853 -4.013 0.188 784 HG21 VAL 22 HG21 VAL 22 13.654 -7.027 -0.355 785 HG22 VAL 22 HG22 VAL 22 15.353 -6.543 -0.360 786 HG23 VAL 22 HG23 VAL 22 14.228 -5.825 -1.513 787 H LEU 23 HN LEU 23 12.030 -5.054 2.900 788 HA LEU 23 HA LEU 23 12.470 -2.459 3.951 789 HG LEU 23 HG LEU 23 8.830 -2.606 3.625 790 HB2 LEU 23 HB2 LEU 23 10.315 -4.488 4.125 791 HB3 LEU 23 HB1 LEU 23 10.360 -3.283 5.397 792 HD11 LEU 23 HD11 LEU 23 9.730 -0.385 3.178 793 HD12 LEU 23 HD12 LEU 23 11.334 -0.931 3.664 794 HD13 LEU 23 HD13 LEU 23 10.029 -0.870 4.848 795 HD21 LEU 23 HD21 LEU 23 9.675 -2.042 1.387 796 HD22 LEU 23 HD22 LEU 23 9.829 -3.763 1.741 797 HD23 LEU 23 HD23 LEU 23 11.245 -2.717 1.823 798 H GLU 24 HN GLU 24 12.408 -5.669 5.449 799 HA GLU 24 HA GLU 24 13.036 -4.923 8.070 800 HB2 GLU 24 HB2 GLU 24 12.375 -7.220 7.274 801 HB3 GLU 24 HB1 GLU 24 14.002 -7.404 6.631 802 HG2 GLU 24 HG2 GLU 24 13.938 -8.512 8.715 803 HG3 GLU 24 HG1 GLU 24 14.865 -7.032 8.949 804 H LYS 25 HN LYS 25 15.036 -5.503 5.261 805 HA LYS 25 HA LYS 25 17.586 -5.341 6.359 806 HB2 LYS 25 HB2 LYS 25 17.136 -6.061 4.065 807 HB3 LYS 25 HB1 LYS 25 16.599 -4.444 3.642 808 HG2 LYS 25 HG2 LYS 25 18.811 -4.800 2.792 809 HG3 LYS 25 HG1 LYS 25 18.879 -3.610 4.095 810 HD2 LYS 25 HD2 LYS 25 20.706 -5.142 4.349 811 HD3 LYS 25 HD1 LYS 25 19.541 -5.426 5.642 812 HE2 LYS 25 HE2 LYS 25 18.628 -7.322 4.392 813 HE3 LYS 25 HE1 LYS 25 19.806 -7.041 3.110 814 HZ1 LYS 25 HZ1 LYS 25 20.536 -8.792 4.593 815 HZ2 LYS 25 HZ2 LYS 25 20.439 -7.744 5.925 816 HZ3 LYS 25 HZ3 LYS 25 21.578 -7.457 4.700 817 H HIS 26 HN HIS 26 15.306 -2.801 5.571 818 HA HIS 26 HA HIS 26 17.323 -0.730 5.993 819 HD1 HIS 26 HD1 HIS 26 15.537 -2.117 3.029 820 HD2 HIS 26 HD2 HIS 26 16.952 1.770 3.442 821 HE1 HIS 26 HE1 HIS 26 16.688 -1.581 0.861 822 HE2 HIS 26 HE2 HIS 26 17.321 0.846 1.049 823 HB2 HIS 26 HB2 HIS 26 14.470 -0.654 5.022 824 HB3 HIS 26 HB1 HIS 26 15.356 0.810 5.430 825 H LYS 27 HN LYS 27 15.012 -2.454 7.742 826 HA LYS 27 HA LYS 27 13.998 -2.222 9.754 827 HB2 LYS 27 HB2 LYS 27 16.524 -0.643 10.154 828 HB3 LYS 27 HB1 LYS 27 15.337 -0.786 11.443 829 HG2 LYS 27 HG2 LYS 27 16.750 -3.062 10.073 830 HG3 LYS 27 HG1 LYS 27 17.090 -2.441 11.691 831 HD2 LYS 27 HD2 LYS 27 14.797 -3.029 12.373 832 HD3 LYS 27 HD1 LYS 27 14.502 -3.698 10.767 833 HE2 LYS 27 HE2 LYS 27 16.358 -5.296 11.149 834 HE3 LYS 27 HE1 LYS 27 16.527 -4.661 12.785 835 HZ1 LYS 27 HZ1 LYS 27 14.315 -5.401 13.306 836 HZ2 LYS 27 HZ2 LYS 27 15.188 -6.709 12.671 837 HZ3 LYS 27 HZ3 LYS 27 14.050 -5.899 11.706 838 H ALA 28 HN ALA 28 12.851 -0.693 7.842 839 HA ALA 28 HA ALA 28 12.511 2.016 8.753 840 HB1 ALA 28 HB1 ALA 28 12.396 1.463 6.367 841 HB2 ALA 28 HB2 ALA 28 10.901 2.206 6.935 842 HB3 ALA 28 HB3 ALA 28 10.975 0.464 6.674 843 HA PRO 29 HA PRO 29 9.408 0.914 11.778 844 HB2 PRO 29 HB2 PRO 29 8.533 3.491 12.194 845 HB3 PRO 29 HB1 PRO 29 9.949 2.788 12.982 846 HG2 PRO 29 HG2 PRO 29 9.808 4.576 10.591 847 HG3 PRO 29 HG1 PRO 29 10.960 4.593 11.938 848 HD2 PRO 29 HD2 PRO 29 11.598 3.543 9.543 849 HD3 PRO 29 HD1 PRO 29 12.210 2.852 11.060 850 H VAL 30 HN VAL 30 7.077 1.017 11.943 851 HA VAL 30 HA VAL 30 5.799 0.720 9.443 852 HB VAL 30 HB VAL 30 3.701 0.505 10.674 853 HG11 VAL 30 HG11 VAL 30 5.198 -1.410 10.579 854 HG12 VAL 30 HG12 VAL 30 4.318 -1.378 12.108 855 HG13 VAL 30 HG13 VAL 30 6.006 -0.867 12.050 856 HG21 VAL 30 HG21 VAL 30 3.994 2.286 12.301 857 HG22 VAL 30 HG22 VAL 30 5.292 1.384 13.082 858 HG23 VAL 30 HG23 VAL 30 3.642 0.762 13.116 859 H ASP 31 HN ASP 31 6.453 3.475 11.306 860 HA ASP 31 HA ASP 31 4.341 5.160 10.453 861 HB2 ASP 31 HB2 ASP 31 5.791 5.622 12.419 862 HB3 ASP 31 HB1 ASP 31 7.140 5.910 11.324 863 H LEU 32 HN LEU 32 7.765 5.099 9.463 864 HA LEU 32 HA LEU 32 7.336 6.896 7.305 865 HG LEU 32 HG LEU 32 9.353 6.868 9.627 866 HB2 LEU 32 HB2 LEU 32 9.678 5.108 7.943 867 HB3 LEU 32 HB1 LEU 32 9.678 6.321 6.676 868 HD11 LEU 32 HD11 LEU 32 11.680 7.400 7.787 869 HD12 LEU 32 HD12 LEU 32 11.611 6.141 9.019 870 HD13 LEU 32 HD13 LEU 32 11.571 7.840 9.492 871 HD21 LEU 32 HD21 LEU 32 9.554 9.217 9.001 872 HD22 LEU 32 HD22 LEU 32 8.145 8.476 8.244 873 HD23 LEU 32 HD23 LEU 32 9.604 8.765 7.296 874 H SER 33 HN SER 33 7.421 3.396 7.546 875 HA SER 33 HA SER 33 7.788 2.878 4.794 876 HG SER 33 HG SER 33 7.085 1.237 8.073 877 HB2 SER 33 HB2 SER 33 6.822 0.604 5.399 878 HB3 SER 33 HB1 SER 33 8.244 1.107 6.312 879 H LEU 34 HN LEU 34 4.888 3.334 6.773 880 HA LEU 34 HA LEU 34 3.080 2.773 4.642 881 HG LEU 34 HG LEU 34 3.032 1.801 7.557 882 HB2 LEU 34 HB2 LEU 34 2.710 4.207 7.266 883 HB3 LEU 34 HB1 LEU 34 1.402 3.913 6.135 884 HD11 LEU 34 HD11 LEU 34 0.141 2.610 7.856 885 HD12 LEU 34 HD12 LEU 34 1.435 2.956 9.004 886 HD13 LEU 34 HD13 LEU 34 0.944 1.288 8.703 887 HD21 LEU 34 HD21 LEU 34 1.501 0.196 6.543 888 HD22 LEU 34 HD22 LEU 34 2.397 1.080 5.308 889 HD23 LEU 34 HD23 LEU 34 0.717 1.497 5.647 890 H ILE 35 HN ILE 35 4.658 5.685 5.840 891 HA ILE 35 HA ILE 35 3.182 7.521 4.261 892 HB ILE 35 HB ILE 35 6.038 7.806 5.219 893 HG12 ILE 35 HG12 ILE 35 3.456 8.723 6.510 894 HG13 ILE 35 HG11 ILE 35 4.436 7.368 7.058 895 HG21 ILE 35 HG21 ILE 35 5.606 10.218 5.016 896 HG22 ILE 35 HG22 ILE 35 4.016 9.868 4.338 897 HG23 ILE 35 HG23 ILE 35 5.473 9.392 3.465 898 HD11 ILE 35 HD11 ILE 35 4.818 9.334 8.423 899 HD12 ILE 35 HD12 ILE 35 5.287 10.255 6.994 900 HD13 ILE 35 HD13 ILE 35 6.278 8.900 7.535 901 H ALA 36 HN ALA 36 6.152 5.680 3.671 902 HA ALA 36 HA ALA 36 6.756 6.635 1.117 903 HB1 ALA 36 HB1 ALA 36 7.954 4.523 0.805 904 HB2 ALA 36 HB2 ALA 36 7.141 3.847 2.217 905 HB3 ALA 36 HB3 ALA 36 8.261 5.198 2.405 906 H LEU 37 HN LEU 37 4.709 3.928 2.142 907 HA LEU 37 HA LEU 37 3.815 3.133 -0.391 908 HG LEU 37 HG LEU 37 0.878 2.455 0.332 909 HB2 LEU 37 HB2 LEU 37 3.510 1.816 1.670 910 HB3 LEU 37 HB1 LEU 37 2.364 3.004 2.255 911 HD11 LEU 37 HD11 LEU 37 2.869 0.239 -0.133 912 HD12 LEU 37 HD12 LEU 37 2.563 1.605 -1.206 913 HD13 LEU 37 HD13 LEU 37 1.304 0.403 -0.926 914 HD21 LEU 37 HD21 LEU 37 1.636 0.129 2.094 915 HD22 LEU 37 HD22 LEU 37 0.104 0.333 1.245 916 HD23 LEU 37 HD23 LEU 37 0.552 1.446 2.537 917 H GLY 38 HN GLY 38 2.576 5.542 1.881 918 HA2 GLY 38 HA2 GLY 38 0.237 6.279 0.557 919 HA3 GLY 38 HA1 GLY 38 1.192 7.342 1.578 920 H ASN 39 HN ASN 39 3.448 7.832 0.295 921 HA ASN 39 HA ASN 39 2.762 9.569 -1.797 922 HB2 ASN 39 HB2 ASN 39 5.403 8.401 -0.932 923 HB3 ASN 39 HB1 ASN 39 5.283 9.518 -2.286 924 HD21 ASN 39 HD21 ASN 39 5.016 9.147 1.163 925 HD22 ASN 39 HD22 ASN 39 5.000 10.834 1.536 926 H MET 40 HN MET 40 4.053 6.272 -1.871 927 HA MET 40 HA MET 40 4.478 6.122 -4.646 928 HB2 MET 40 HB2 MET 40 5.416 4.517 -3.031 929 HB3 MET 40 HB1 MET 40 3.802 3.890 -2.725 930 HG2 MET 40 HG2 MET 40 3.641 3.156 -5.045 931 HG3 MET 40 HG1 MET 40 5.255 3.790 -5.359 932 HE1 MET 40 HE1 MET 40 4.356 0.762 -5.993 933 HE2 MET 40 HE2 MET 40 5.810 -0.087 -5.466 934 HE3 MET 40 HE3 MET 40 5.948 1.433 -6.350 935 H ALA 41 HN ALA 41 1.701 5.087 -2.682 936 HA ALA 41 HA ALA 41 0.148 4.073 -4.784 937 HB1 ALA 41 HB1 ALA 41 -0.829 5.289 -2.200 938 HB2 ALA 41 HB2 ALA 41 -0.284 3.624 -2.401 939 HB3 ALA 41 HB3 ALA 41 -1.726 4.189 -3.246 940 H SER 42 HN SER 42 0.232 7.314 -3.349 941 HA SER 42 HA SER 42 -1.925 8.398 -4.762 942 HG SER 42 HG SER 42 -0.397 8.832 -2.022 943 HB2 SER 42 HB2 SER 42 0.555 9.807 -3.752 944 HB3 SER 42 HB1 SER 42 -0.971 10.583 -4.170 945 H ASN 43 HN ASN 43 1.559 8.470 -5.527 946 HA ASN 43 HA ASN 43 1.273 9.909 -7.946 947 HB2 ASN 43 HB2 ASN 43 3.422 9.678 -6.715 948 HB3 ASN 43 HB1 ASN 43 3.476 7.980 -7.175 949 HD21 ASN 43 HD21 ASN 43 4.008 7.426 -9.279 950 HD22 ASN 43 HD22 ASN 43 4.648 8.565 -10.407 951 H LEU 44 HN LEU 44 1.199 6.490 -7.159 952 HA LEU 44 HA LEU 44 1.261 5.462 -9.783 953 HG LEU 44 HG LEU 44 -0.760 3.145 -9.340 954 HB2 LEU 44 HB2 LEU 44 1.646 4.099 -7.791 955 HB3 LEU 44 HB1 LEU 44 -0.012 4.350 -7.283 956 HD11 LEU 44 HD11 LEU 44 2.174 2.517 -9.593 957 HD12 LEU 44 HD12 LEU 44 1.225 3.512 -10.696 958 HD13 LEU 44 HD13 LEU 44 0.877 1.789 -10.539 959 HD21 LEU 44 HD21 LEU 44 1.051 1.645 -7.456 960 HD22 LEU 44 HD22 LEU 44 -0.181 0.919 -8.488 961 HD23 LEU 44 HD23 LEU 44 -0.652 2.021 -7.192 962 H LEU 45 HN LEU 45 -1.464 6.159 -7.614 963 HA LEU 45 HA LEU 45 -3.471 5.321 -9.405 964 HG LEU 45 HG LEU 45 -2.954 4.908 -6.416 965 HB2 LEU 45 HB2 LEU 45 -3.620 7.206 -7.057 966 HB3 LEU 45 HB1 LEU 45 -5.015 6.550 -7.892 967 HD11 LEU 45 HD11 LEU 45 -5.753 5.718 -5.642 968 HD12 LEU 45 HD12 LEU 45 -4.256 6.258 -4.881 969 HD13 LEU 45 HD13 LEU 45 -4.742 4.566 -4.769 970 HD21 LEU 45 HD21 LEU 45 -5.592 4.138 -7.663 971 HD22 LEU 45 HD22 LEU 45 -4.553 3.077 -6.712 972 HD23 LEU 45 HD23 LEU 45 -3.993 3.700 -8.264 973 H THR 46 HN THR 46 -1.736 8.317 -9.150 974 HA THR 46 HA THR 46 -3.771 9.745 -10.661 975 HB THR 46 HB THR 46 -2.085 11.664 -10.496 976 HG1 THR 46 HG1 THR 46 -0.956 10.178 -8.383 977 HG21 THR 46 HG21 THR 46 -4.047 11.548 -9.074 978 HG22 THR 46 HG22 THR 46 -2.660 12.098 -8.132 979 HG23 THR 46 HG23 THR 46 -3.223 10.433 -7.988 980 H THR 47 HN THR 47 -1.400 7.646 -11.530 981 HA THR 47 HA THR 47 -0.996 9.052 -14.081 982 HB THR 47 HB THR 47 1.268 7.969 -14.206 983 HG1 THR 47 HG1 THR 47 1.159 7.698 -11.398 984 HG21 THR 47 HG21 THR 47 0.800 9.911 -11.940 985 HG22 THR 47 HG22 THR 47 1.043 10.327 -13.637 986 HG23 THR 47 HG23 THR 47 2.355 9.596 -12.713 987 H SER 48 HN SER 48 -1.139 5.889 -12.465 988 HA SER 48 HA SER 48 -0.839 4.550 -15.030 989 HG SER 48 HG SER 48 0.770 4.824 -12.914 990 HB2 SER 48 HB2 SER 48 -1.122 3.345 -12.274 991 HB3 SER 48 HB1 SER 48 -0.593 2.516 -13.739 992 H VAL 49 HN VAL 49 -3.428 5.390 -12.903 993 HA VAL 49 HA VAL 49 -5.211 3.661 -14.489 994 HB VAL 49 HB VAL 49 -6.752 3.545 -12.569 995 HG11 VAL 49 HG11 VAL 49 -5.434 2.007 -11.179 996 HG12 VAL 49 HG12 VAL 49 -3.960 2.590 -11.951 997 HG13 VAL 49 HG13 VAL 49 -5.173 1.734 -12.903 998 HG21 VAL 49 HG21 VAL 49 -6.120 5.613 -11.447 999 HG22 VAL 49 HG22 VAL 49 -4.552 4.918 -11.033 1000 HG23 VAL 49 HG23 VAL 49 -6.027 4.239 -10.344 1001 HA PRO 50 HA PRO 50 -7.781 7.024 -15.803 1002 HB2 PRO 50 HB2 PRO 50 -9.921 5.975 -13.999 1003 HB3 PRO 50 HB1 PRO 50 -10.020 6.457 -15.695 1004 HG2 PRO 50 HG2 PRO 50 -9.936 3.887 -15.029 1005 HG3 PRO 50 HG1 PRO 50 -9.060 4.487 -16.451 1006 HD2 PRO 50 HD2 PRO 50 -8.019 3.654 -13.794 1007 HD3 PRO 50 HD1 PRO 50 -7.259 3.544 -15.393 1008 H GLN 51 HN GLN 51 -7.430 9.029 -15.112 1009 HA GLN 51 HA GLN 51 -6.896 9.671 -12.422 1010 HB2 GLN 51 HB2 GLN 51 -7.496 11.475 -14.767 1011 HB3 GLN 51 HB1 GLN 51 -6.904 12.034 -13.210 1012 HG2 GLN 51 HG2 GLN 51 -4.892 10.642 -13.514 1013 HG3 GLN 51 HG1 GLN 51 -5.475 10.202 -15.119 1014 HE21 GLN 51 HE21 GLN 51 -5.485 11.757 -16.751 1015 HE22 GLN 51 HE22 GLN 51 -4.551 13.205 -16.635 1016 H THR 52 HN THR 52 -9.858 9.831 -14.298 1017 HA THR 52 HA THR 52 -11.154 11.468 -12.283 1018 HB THR 52 HB THR 52 -11.692 11.726 -14.719 1019 HG1 THR 52 HG1 THR 52 -13.630 11.242 -12.728 1020 HG21 THR 52 HG21 THR 52 -13.082 9.072 -14.314 1021 HG22 THR 52 HG22 THR 52 -11.722 9.390 -15.391 1022 HG23 THR 52 HG23 THR 52 -13.290 10.127 -15.713 1023 H GLN 53 HN GLN 53 -10.420 8.233 -12.501 1024 HA GLN 53 HA GLN 53 -12.752 7.532 -10.837 1025 HB2 GLN 53 HB2 GLN 53 -11.426 5.843 -12.961 1026 HB3 GLN 53 HB1 GLN 53 -12.577 5.214 -11.791 1027 HG2 GLN 53 HG2 GLN 53 -14.255 6.816 -12.666 1028 HG3 GLN 53 HG1 GLN 53 -13.098 7.290 -13.909 1029 HE21 GLN 53 HE21 GLN 53 -13.385 4.022 -12.741 1030 HE22 GLN 53 HE22 GLN 53 -14.071 3.352 -14.179 1031 H CYS 54 HN CYS 54 -9.605 8.106 -10.624 1032 HA CYS 54 HA CYS 54 -8.568 5.735 -9.478 1033 HG CYS 54 HG CYS 54 -7.313 9.884 -10.380 1034 HB2 CYS 54 HB2 CYS 54 -6.744 7.221 -8.629 1035 HB3 CYS 54 HB1 CYS 54 -7.034 7.351 -10.360 1036 H GLU 55 HN GLU 55 -10.308 8.483 -8.159 1037 HA GLU 55 HA GLU 55 -9.888 7.924 -5.434 1038 HB2 GLU 55 HB2 GLU 55 -11.984 9.223 -5.056 1039 HB3 GLU 55 HB1 GLU 55 -10.804 10.053 -6.059 1040 HG2 GLU 55 HG2 GLU 55 -12.061 9.431 -8.057 1041 HG3 GLU 55 HG1 GLU 55 -13.244 8.595 -7.051 1042 H ALA 56 HN ALA 56 -12.145 6.644 -7.786 1043 HA ALA 56 HA ALA 56 -13.754 5.196 -5.946 1044 HB1 ALA 56 HB1 ALA 56 -13.295 4.723 -8.891 1045 HB2 ALA 56 HB2 ALA 56 -14.547 5.747 -8.190 1046 HB3 ALA 56 HB3 ALA 56 -14.580 4.004 -7.920 1047 H LEU 57 HN LEU 57 -10.952 4.346 -7.958 1048 HA LEU 57 HA LEU 57 -10.854 1.632 -7.156 1049 HG LEU 57 HG LEU 57 -8.833 1.741 -10.217 1050 HB2 LEU 57 HB2 LEU 57 -8.955 3.496 -8.503 1051 HB3 LEU 57 HB1 LEU 57 -8.331 1.987 -7.870 1052 HD11 LEU 57 HD11 LEU 57 -9.195 -0.190 -8.779 1053 HD12 LEU 57 HD12 LEU 57 -10.325 -0.178 -10.133 1054 HD13 LEU 57 HD13 LEU 57 -10.870 0.304 -8.527 1055 HD21 LEU 57 HD21 LEU 57 -11.666 2.507 -9.523 1056 HD22 LEU 57 HD22 LEU 57 -11.090 1.966 -11.101 1057 HD23 LEU 57 HD23 LEU 57 -10.520 3.494 -10.432 1058 H ALA 58 HN ALA 58 -9.267 4.551 -5.925 1059 HA ALA 58 HA ALA 58 -7.640 3.309 -3.998 1060 HB1 ALA 58 HB1 ALA 58 -7.382 5.650 -4.679 1061 HB2 ALA 58 HB2 ALA 58 -7.529 5.493 -2.928 1062 HB3 ALA 58 HB3 ALA 58 -8.906 6.044 -3.882 1063 H GLN 59 HN GLN 59 -10.922 4.611 -3.786 1064 HA GLN 59 HA GLN 59 -11.364 3.999 -1.074 1065 HB2 GLN 59 HB2 GLN 59 -12.742 5.532 -2.531 1066 HB3 GLN 59 HB1 GLN 59 -13.443 4.097 -3.264 1067 HG2 GLN 59 HG2 GLN 59 -14.210 3.412 -0.986 1068 HG3 GLN 59 HG1 GLN 59 -13.675 4.990 -0.405 1069 HE21 GLN 59 HE21 GLN 59 -14.790 6.831 -1.026 1070 HE22 GLN 59 HE22 GLN 59 -16.369 6.764 -1.732 1071 H ALA 60 HN ALA 60 -11.907 2.181 -4.051 1072 HA ALA 60 HA ALA 60 -13.248 -0.012 -2.885 1073 HB1 ALA 60 HB1 ALA 60 -13.312 0.488 -5.289 1074 HB2 ALA 60 HB2 ALA 60 -12.820 -1.175 -4.967 1075 HB3 ALA 60 HB3 ALA 60 -11.613 0.031 -5.416 1076 H PHE 61 HN PHE 61 -9.825 0.487 -3.722 1077 HA PHE 61 HA PHE 61 -8.835 -1.994 -2.941 1078 HD1 PHE 61 HD2 PHE 61 -6.447 -2.573 -4.085 1079 HD2 PHE 61 HD1 PHE 61 -5.769 0.357 -1.068 1080 HE1 PHE 61 HE2 PHE 61 -4.392 -3.743 -3.410 1081 HE2 PHE 61 HE1 PHE 61 -3.715 -0.805 -0.394 1082 HZ PHE 61 HZ PHE 61 -3.025 -2.860 -1.562 1083 HB2 PHE 61 HB2 PHE 61 -7.514 -0.259 -4.126 1084 HB3 PHE 61 HB1 PHE 61 -7.469 0.697 -2.649 1085 H SER 62 HN SER 62 -9.352 0.933 -1.022 1086 HA SER 62 HA SER 62 -8.454 -0.074 1.432 1087 HG SER 62 HG SER 62 -9.003 2.057 3.160 1088 HB2 SER 62 HB2 SER 62 -8.856 2.307 1.047 1089 HB3 SER 62 HB1 SER 62 -10.583 2.001 0.867 1090 H ASN 63 HN ASN 63 -11.751 0.063 0.081 1091 HA ASN 63 HA ASN 63 -13.106 -1.155 2.179 1092 HB2 ASN 63 HB2 ASN 63 -13.637 -0.838 -0.731 1093 HB3 ASN 63 HB1 ASN 63 -14.621 -1.999 0.152 1094 HD21 ASN 63 HD21 ASN 63 -13.788 1.355 -0.228 1095 HD22 ASN 63 HD22 ASN 63 -15.122 1.986 0.675 1096 H SER 64 HN SER 64 -11.535 -2.675 -0.621 1097 HA SER 64 HA SER 64 -12.255 -5.318 -0.070 1098 HG SER 64 HG SER 64 -12.254 -4.925 -2.377 1099 HB2 SER 64 HB2 SER 64 -9.697 -4.288 -1.325 1100 HB3 SER 64 HB1 SER 64 -10.300 -5.942 -1.438 1101 H LEU 65 HN LEU 65 -9.622 -3.333 1.181 1102 HA LEU 65 HA LEU 65 -8.401 -5.443 2.674 1103 HG LEU 65 HG LEU 65 -7.283 -3.106 0.808 1104 HB2 LEU 65 HB2 LEU 65 -8.154 -2.450 2.981 1105 HB3 LEU 65 HB1 LEU 65 -7.137 -3.634 3.777 1106 HD11 LEU 65 HD11 LEU 65 -4.962 -2.383 1.093 1107 HD12 LEU 65 HD12 LEU 65 -5.101 -2.639 2.833 1108 HD13 LEU 65 HD13 LEU 65 -6.077 -1.400 2.043 1109 HD21 LEU 65 HD21 LEU 65 -6.948 -5.481 1.240 1110 HD22 LEU 65 HD22 LEU 65 -5.613 -5.104 2.330 1111 HD23 LEU 65 HD23 LEU 65 -5.476 -4.742 0.609 1112 H ILE 66 HN ILE 66 -10.732 -2.895 3.385 1113 HA ILE 66 HA ILE 66 -10.944 -3.131 6.146 1114 HB ILE 66 HB ILE 66 -13.216 -2.634 4.207 1115 HG12 ILE 66 HG12 ILE 66 -11.396 -1.072 3.812 1116 HG13 ILE 66 HG11 ILE 66 -12.744 -0.244 4.581 1117 HG21 ILE 66 HG21 ILE 66 -12.944 -1.877 7.110 1118 HG22 ILE 66 HG22 ILE 66 -13.995 -3.138 6.466 1119 HG23 ILE 66 HG23 ILE 66 -14.287 -1.448 6.050 1120 HD11 ILE 66 HD11 ILE 66 -10.219 -1.162 5.938 1121 HD12 ILE 66 HD12 ILE 66 -11.576 -0.358 6.726 1122 HD13 ILE 66 HD13 ILE 66 -10.638 0.496 5.501 1123 H ASN 67 HN ASN 67 -12.724 -4.883 3.628 1124 HA ASN 67 HA ASN 67 -14.106 -6.563 5.459 1125 HB2 ASN 67 HB2 ASN 67 -13.616 -6.861 2.491 1126 HB3 ASN 67 HB1 ASN 67 -14.681 -7.904 3.428 1127 HD21 ASN 67 HD21 ASN 67 -15.304 -6.174 1.195 1128 HD22 ASN 67 HD22 ASN 67 -16.496 -5.046 1.757 1129 H ALA 68 HN ALA 68 -11.053 -6.796 3.756 1130 HA ALA 68 HA ALA 68 -10.550 -9.535 4.259 1131 HB1 ALA 68 HB1 ALA 68 -8.556 -7.300 3.895 1132 HB2 ALA 68 HB2 ALA 68 -9.291 -8.242 2.598 1133 HB3 ALA 68 HB3 ALA 68 -8.222 -9.028 3.759 1134 H VAL 69 HN VAL 69 -9.888 -6.591 6.099 1135 HA VAL 69 HA VAL 69 -8.457 -7.691 8.230 1136 HB VAL 69 HB VAL 69 -10.456 -5.417 8.227 1137 HG11 VAL 69 HG11 VAL 69 -9.462 -4.721 10.354 1138 HG12 VAL 69 HG12 VAL 69 -8.478 -6.185 10.374 1139 HG13 VAL 69 HG13 VAL 69 -10.234 -6.301 10.488 1140 HG21 VAL 69 HG21 VAL 69 -7.441 -5.471 8.110 1141 HG22 VAL 69 HG22 VAL 69 -8.418 -4.013 8.279 1142 HG23 VAL 69 HG23 VAL 69 -8.541 -4.992 6.817 1143 H LYS 70 HN LYS 70 -11.965 -7.206 7.893 1144 HA LYS 70 HA LYS 70 -12.754 -8.536 10.224 1145 HB2 LYS 70 HB2 LYS 70 -14.175 -8.259 7.573 1146 HB3 LYS 70 HB1 LYS 70 -14.930 -8.915 9.015 1147 HG2 LYS 70 HG2 LYS 70 -14.503 -6.755 10.160 1148 HG3 LYS 70 HG1 LYS 70 -13.892 -6.116 8.630 1149 HD2 LYS 70 HD2 LYS 70 -16.023 -6.460 7.573 1150 HD3 LYS 70 HD1 LYS 70 -16.647 -7.290 8.996 1151 HE2 LYS 70 HE2 LYS 70 -17.536 -5.083 9.004 1152 HE3 LYS 70 HE1 LYS 70 -16.324 -5.174 10.279 1153 HZ1 LYS 70 HZ1 LYS 70 -16.194 -3.127 8.958 1154 HZ2 LYS 70 HZ2 LYS 70 -15.841 -4.040 7.578 1155 HZ3 LYS 70 HZ3 LYS 70 -14.757 -4.027 8.891 1156 H THR 71 HN THR 71 -11.859 -9.772 7.076 1157 HA THR 71 HA THR 71 -12.911 -12.376 7.393 1158 HB THR 71 HB THR 71 -10.631 -11.461 5.626 1159 HG1 THR 71 HG1 THR 71 -12.719 -10.380 5.338 1160 HG21 THR 71 HG21 THR 71 -12.402 -13.907 5.484 1161 HG22 THR 71 HG22 THR 71 -10.670 -13.880 5.819 1162 HG23 THR 71 HG23 THR 71 -11.266 -13.404 4.231 1163 H ARG 72 HN ARG 72 -9.833 -10.917 8.311 1164 HA ARG 72 HA ARG 72 -8.689 -13.513 8.958 1165 HE ARG 72 HE ARG 72 -5.095 -13.391 7.550 1166 HB2 ARG 72 HB2 ARG 72 -7.524 -10.763 9.423 1167 HB3 ARG 72 HB1 ARG 72 -6.673 -12.291 9.568 1168 HG2 ARG 72 HG2 ARG 72 -7.255 -12.639 7.105 1169 HG3 ARG 72 HG1 ARG 72 -7.650 -10.919 7.096 1170 HD2 ARG 72 HD2 ARG 72 -5.406 -11.052 6.394 1171 HD3 ARG 72 HD1 ARG 72 -5.346 -10.534 8.078 1172 HH11 ARG 72 HH11 ARG 72 -3.498 -10.375 8.385 1173 HH12 ARG 72 HH12 ARG 72 -2.037 -11.164 8.903 1174 HH21 ARG 72 HH21 ARG 72 -3.170 -14.407 8.238 1175 HH22 ARG 72 HH22 ARG 72 -1.854 -13.427 8.827 1176 H LEU 73 HN LEU 73 -9.954 -10.679 10.633 1177 HA LEU 73 HA LEU 73 -9.182 -11.643 13.231 1178 HG LEU 73 HG LEU 73 -8.762 -8.894 11.769 1179 HB2 LEU 73 HB2 LEU 73 -11.054 -9.418 12.433 1180 HB3 LEU 73 HB1 LEU 73 -10.521 -9.738 14.071 1181 HD11 LEU 73 HD11 LEU 73 -10.193 -7.110 12.612 1182 HD12 LEU 73 HD12 LEU 73 -8.503 -6.831 13.032 1183 HD13 LEU 73 HD13 LEU 73 -9.628 -7.426 14.252 1184 HD21 LEU 73 HD21 LEU 73 -8.060 -9.364 14.663 1185 HD22 LEU 73 HD22 LEU 73 -6.974 -8.761 13.411 1186 HD23 LEU 73 HD23 LEU 73 -7.605 -10.406 13.317 1187 H GLU 74 HN GLU 74 -11.702 -12.338 11.118 1188 HA GLU 74 HA GLU 74 -13.760 -12.916 12.996 1189 HB2 GLU 74 HB2 GLU 74 -14.232 -12.543 10.619 1190 HB3 GLU 74 HB1 GLU 74 -13.299 -13.971 10.200 1191 HG2 GLU 74 HG2 GLU 74 -15.660 -14.447 10.101 1192 HG3 GLU 74 HG1 GLU 74 -14.904 -15.370 11.400 1193 H HIS 75 HN HIS 75 -14.447 -14.940 13.748 1194 HA HIS 75 HA HIS 75 -12.309 -16.787 14.316 1195 HD1 HIS 75 HD1 HIS 75 -15.283 -14.709 16.454 1196 HD2 HIS 75 HD2 HIS 75 -12.130 -17.266 17.358 1197 HE1 HIS 75 HE1 HIS 75 -14.250 -13.798 18.555 1198 HE2 HIS 75 HE2 HIS 75 -12.496 -15.492 19.201 1199 HB2 HIS 75 HB2 HIS 75 -15.251 -16.785 15.016 1200 HB3 HIS 75 HB1 HIS 75 -14.159 -18.082 15.488 1201 H HIS 76 HN HIS 76 -11.918 -17.208 12.005 1202 HA HIS 76 HA HIS 76 -13.812 -18.594 10.423 1203 HD1 HIS 76 HD1 HIS 76 -10.811 -17.784 7.203 1204 HD2 HIS 76 HD2 HIS 76 -14.143 -16.593 9.395 1205 HE1 HIS 76 HE1 HIS 76 -12.078 -16.208 5.712 1206 HE2 HIS 76 HE2 HIS 76 -14.158 -15.604 6.996 1207 HB2 HIS 76 HB2 HIS 76 -10.941 -17.929 10.220 1208 HB3 HIS 76 HB1 HIS 76 -11.467 -19.334 9.299 1209 H HIS 77 HN HIS 77 -10.767 -19.910 11.751 1210 HA HIS 77 HA HIS 77 -12.203 -22.327 12.535 1211 HD1 HIS 77 HD1 HIS 77 -12.465 -24.997 11.024 1212 HD2 HIS 77 HD2 HIS 77 -11.764 -21.794 8.459 1213 HE1 HIS 77 HE1 HIS 77 -14.057 -25.304 9.096 1214 HE2 HIS 77 HE2 HIS 77 -13.529 -23.428 7.498 1215 HB2 HIS 77 HB2 HIS 77 -9.955 -22.254 10.538 1216 HB3 HIS 77 HB1 HIS 77 -10.267 -23.688 11.507 1217 H HIS 78 HN HIS 78 -9.007 -20.776 12.378 1218 HA HIS 78 HA HIS 78 -8.533 -21.737 15.119 1219 HD1 HIS 78 HD1 HIS 78 -5.901 -24.004 15.478 1220 HD2 HIS 78 HD2 HIS 78 -8.249 -24.002 12.048 1221 HE1 HIS 78 HE1 HIS 78 -6.447 -26.415 15.030 1222 HE2 HIS 78 HE2 HIS 78 -8.015 -26.374 13.062 1223 HB2 HIS 78 HB2 HIS 78 -6.619 -21.673 12.787 1224 HB3 HIS 78 HB1 HIS 78 -6.058 -21.747 14.454 1225 H HIS 79 HN HIS 79 -7.220 -20.390 16.445 1226 HA HIS 79 HA HIS 79 -6.605 -17.728 15.427 1227 HD1 HIS 79 HD1 HIS 79 -7.737 -17.225 19.777 1228 HD2 HIS 79 HD2 HIS 79 -9.939 -19.855 17.416 1229 HE1 HIS 79 HE1 HIS 79 -8.993 -18.699 21.384 1230 HE2 HIS 79 HE2 HIS 79 -10.203 -20.368 19.941 1231 HB2 HIS 79 HB2 HIS 79 -7.710 -16.608 17.338 1232 HB3 HIS 79 HB1 HIS 79 -8.852 -17.427 16.284 1233 H HIS 80 HN HIS 80 -6.310 -20.156 17.947 1234 HA HIS 80 HA HIS 80 -3.544 -19.541 18.267 1235 HD1 HIS 80 HD1 HIS 80 -3.614 -20.521 22.175 1236 HD2 HIS 80 HD2 HIS 80 -1.882 -17.339 20.131 1237 HE1 HIS 80 HE1 HIS 80 -1.346 -20.205 23.207 1238 HE2 HIS 80 HE2 HIS 80 -0.240 -18.406 21.826 1239 HB2 HIS 80 HB2 HIS 80 -4.608 -17.820 19.771 1240 HB3 HIS 80 HB1 HIS 80 -5.274 -19.143 20.721 Start of MODEL 10 1 HA MET 1 HA MET 1 10.624 6.712 21.343 2 H1 MET 1 HT1 MET 1 11.131 7.278 23.622 3 H2 MET 1 HT2 MET 1 11.739 8.787 23.135 4 H3 MET 1 HT3 MET 1 12.508 7.363 22.638 5 HB2 MET 1 HB2 MET 1 8.722 8.202 21.026 6 HB3 MET 1 HB1 MET 1 8.880 7.765 22.717 7 HG2 MET 1 HG2 MET 1 9.891 10.357 21.580 8 HG3 MET 1 HG1 MET 1 8.273 10.150 22.246 9 HE1 MET 1 HE1 MET 1 8.472 12.000 24.045 10 HE2 MET 1 HE2 MET 1 10.036 12.433 23.355 11 HE3 MET 1 HE3 MET 1 9.873 12.210 25.096 12 H ALA 2 HN ALA 2 9.637 8.813 19.589 13 HA ALA 2 HA ALA 2 11.821 8.904 17.838 14 HB1 ALA 2 HB1 ALA 2 9.303 10.558 17.756 15 HB2 ALA 2 HB2 ALA 2 9.489 8.931 17.100 16 HB3 ALA 2 HB3 ALA 2 10.408 10.269 16.413 17 H GLN 3 HN GLN 3 13.604 9.904 18.684 18 HA GLN 3 HA GLN 3 13.428 12.846 18.729 19 HB2 GLN 3 HB2 GLN 3 15.388 11.060 20.197 20 HB3 GLN 3 HB1 GLN 3 15.529 12.808 20.091 21 HG2 GLN 3 HG2 GLN 3 13.304 11.273 21.414 22 HG3 GLN 3 HG1 GLN 3 14.602 12.146 22.223 23 HE21 GLN 3 HE21 GLN 3 11.769 12.515 22.504 24 HE22 GLN 3 HE22 GLN 3 11.416 14.147 22.041 25 H HIS 4 HN HIS 4 15.588 10.101 18.116 26 HA HIS 4 HA HIS 4 16.887 11.507 15.924 27 HD1 HIS 4 HD1 HIS 4 17.894 7.641 14.575 28 HD2 HIS 4 HD2 HIS 4 19.996 11.078 15.599 29 HE1 HIS 4 HE1 HIS 4 19.777 7.804 12.917 30 HE2 HIS 4 HE2 HIS 4 21.161 9.760 13.704 31 HB2 HIS 4 HB2 HIS 4 18.144 9.946 17.448 32 HB3 HIS 4 HB1 HIS 4 17.186 8.619 16.802 33 H SER 5 HN SER 5 16.650 10.858 13.713 34 HA SER 5 HA SER 5 15.359 10.381 11.902 35 HG SER 5 HG SER 5 16.286 7.189 13.099 36 HB2 SER 5 HB2 SER 5 14.440 8.032 13.590 37 HB3 SER 5 HB1 SER 5 14.178 8.209 11.854 38 H LYS 6 HN LYS 6 14.412 12.395 13.151 39 HA LYS 6 HA LYS 6 11.798 12.017 14.316 40 HB2 LYS 6 HB2 LYS 6 13.499 13.670 15.150 41 HB3 LYS 6 HB1 LYS 6 13.269 14.583 13.668 42 HG2 LYS 6 HG2 LYS 6 12.022 15.594 15.455 43 HG3 LYS 6 HG1 LYS 6 10.907 14.916 14.267 44 HD2 LYS 6 HD2 LYS 6 10.479 13.015 15.671 45 HD3 LYS 6 HD1 LYS 6 11.729 13.521 16.811 46 HE2 LYS 6 HE2 LYS 6 9.547 14.090 17.682 47 HE3 LYS 6 HE1 LYS 6 10.437 15.559 17.289 48 HZ1 LYS 6 HZ1 LYS 6 8.157 14.348 15.846 49 HZ2 LYS 6 HZ2 LYS 6 9.186 15.453 15.082 50 HZ3 LYS 6 HZ3 LYS 6 8.311 15.925 16.459 51 H TYR 7 HN TYR 7 11.402 10.994 12.031 52 HA TYR 7 HA TYR 7 10.202 11.000 10.116 53 HD1 TYR 7 HD1 TYR 7 7.548 10.692 9.614 54 HD2 TYR 7 HD2 TYR 7 8.294 12.522 13.377 55 HE1 TYR 7 HE1 TYR 7 5.979 9.130 10.674 56 HE2 TYR 7 HE2 TYR 7 6.717 10.966 14.451 57 HH TYR 7 HH TYR 7 5.553 8.175 12.871 58 HB2 TYR 7 HB2 TYR 7 9.143 13.507 11.398 59 HB3 TYR 7 HB1 TYR 7 8.575 12.975 9.817 60 H SER 8 HN SER 8 12.816 11.814 9.915 61 HA SER 8 HA SER 8 13.265 14.121 8.436 62 HG SER 8 HG SER 8 15.551 11.120 9.515 63 HB2 SER 8 HB2 SER 8 15.212 12.572 7.532 64 HB3 SER 8 HB1 SER 8 15.230 13.214 9.173 65 H ASP 9 HN ASP 9 12.263 14.671 6.668 66 HA ASP 9 HA ASP 9 11.135 12.893 4.794 67 HB2 ASP 9 HB2 ASP 9 10.748 14.783 3.421 68 HB3 ASP 9 HB1 ASP 9 10.659 15.402 5.066 69 H ALA 10 HN ALA 10 14.291 13.752 5.525 70 HA ALA 10 HA ALA 10 15.486 13.250 2.962 71 HB1 ALA 10 HB1 ALA 10 17.603 13.244 4.194 72 HB2 ALA 10 HB2 ALA 10 16.720 13.255 5.721 73 HB3 ALA 10 HB3 ALA 10 16.618 14.640 4.633 74 H GLN 11 HN GLN 11 14.989 11.424 5.984 75 HA GLN 11 HA GLN 11 16.191 9.052 4.848 76 HB2 GLN 11 HB2 GLN 11 14.764 9.606 7.428 77 HB3 GLN 11 HB1 GLN 11 15.116 7.956 6.934 78 HG2 GLN 11 HG2 GLN 11 17.520 8.615 6.740 79 HG3 GLN 11 HG1 GLN 11 17.088 10.166 7.455 80 HE21 GLN 11 HE21 GLN 11 15.103 9.011 9.225 81 HE22 GLN 11 HE22 GLN 11 15.982 8.207 10.483 82 H LEU 12 HN LEU 12 12.949 10.306 5.301 83 HA LEU 12 HA LEU 12 11.499 8.014 4.604 84 HG LEU 12 HG LEU 12 9.388 9.288 2.786 85 HB2 LEU 12 HB2 LEU 12 10.444 10.037 5.515 86 HB3 LEU 12 HB1 LEU 12 10.830 10.909 4.041 87 HD11 LEU 12 HD11 LEU 12 7.793 7.947 4.061 88 HD12 LEU 12 HD12 LEU 12 8.597 8.418 5.559 89 HD13 LEU 12 HD13 LEU 12 9.457 7.447 4.364 90 HD21 LEU 12 HD21 LEU 12 8.556 11.489 3.410 91 HD22 LEU 12 HD22 LEU 12 8.037 10.860 4.976 92 HD23 LEU 12 HD23 LEU 12 7.272 10.280 3.494 93 H SER 13 HN SER 13 12.413 10.763 2.518 94 HA SER 13 HA SER 13 11.498 9.629 0.136 95 HG SER 13 HG SER 13 12.172 12.827 1.229 96 HB2 SER 13 HB2 SER 13 13.730 11.646 0.467 97 HB3 SER 13 HB1 SER 13 12.785 11.359 -0.996 98 H ALA 14 HN ALA 14 14.592 9.314 1.790 99 HA ALA 14 HA ALA 14 16.066 8.086 -0.238 100 HB1 ALA 14 HB1 ALA 14 17.043 8.821 1.883 101 HB2 ALA 14 HB2 ALA 14 17.431 7.134 1.543 102 HB3 ALA 14 HB3 ALA 14 16.184 7.531 2.726 103 H ILE 15 HN ILE 15 13.881 6.662 2.170 104 HA ILE 15 HA ILE 15 14.287 3.973 1.400 105 HB ILE 15 HB ILE 15 11.911 5.222 2.791 106 HG12 ILE 15 HG12 ILE 15 14.331 3.776 3.894 107 HG13 ILE 15 HG11 ILE 15 14.052 5.512 3.982 108 HG21 ILE 15 HG21 ILE 15 11.323 3.076 1.805 109 HG22 ILE 15 HG22 ILE 15 11.404 2.952 3.562 110 HG23 ILE 15 HG23 ILE 15 12.722 2.325 2.573 111 HD11 ILE 15 HD11 ILE 15 13.540 4.427 6.088 112 HD12 ILE 15 HD12 ILE 15 12.367 3.384 5.282 113 HD13 ILE 15 HD13 ILE 15 12.085 5.122 5.373 114 H VAL 16 HN VAL 16 11.731 6.316 0.544 115 HA VAL 16 HA VAL 16 10.314 4.517 -1.132 116 HB VAL 16 HB VAL 16 10.136 7.350 -1.912 117 HG11 VAL 16 HG11 VAL 16 8.058 5.407 -0.918 118 HG12 VAL 16 HG12 VAL 16 8.560 5.574 -2.604 119 HG13 VAL 16 HG13 VAL 16 7.771 6.920 -1.780 120 HG21 VAL 16 HG21 VAL 16 9.369 6.531 0.885 121 HG22 VAL 16 HG22 VAL 16 8.940 8.053 0.106 122 HG23 VAL 16 HG23 VAL 16 10.631 7.681 0.444 123 H ASN 17 HN ASN 17 13.135 6.436 -1.554 124 HA ASN 17 HA ASN 17 13.212 6.576 -4.372 125 HB2 ASN 17 HB2 ASN 17 14.621 8.014 -3.024 126 HB3 ASN 17 HB1 ASN 17 15.433 6.622 -2.317 127 HD21 ASN 17 HD21 ASN 17 15.112 8.642 -5.115 128 HD22 ASN 17 HD22 ASN 17 16.524 8.072 -5.941 129 H ASP 18 HN ASP 18 14.697 4.233 -2.084 130 HA ASP 18 HA ASP 18 15.764 2.749 -4.287 131 HB2 ASP 18 HB2 ASP 18 16.603 1.162 -2.653 132 HB3 ASP 18 HB1 ASP 18 16.991 2.801 -2.162 133 H MET 19 HN MET 19 12.855 2.744 -2.408 134 HA MET 19 HA MET 19 11.785 0.270 -3.126 135 HB2 MET 19 HB2 MET 19 10.495 2.968 -2.766 136 HB3 MET 19 HB1 MET 19 9.554 1.549 -3.193 137 HG2 MET 19 HG2 MET 19 10.339 0.445 -1.139 138 HG3 MET 19 HG1 MET 19 11.204 1.920 -0.706 139 HE1 MET 19 HE1 MET 19 8.113 1.788 1.762 140 HE2 MET 19 HE2 MET 19 9.873 1.818 1.650 141 HE3 MET 19 HE3 MET 19 8.979 0.399 1.106 142 H ILE 20 HN ILE 20 11.853 3.324 -4.934 143 HA ILE 20 HA ILE 20 10.553 2.453 -7.259 144 HB ILE 20 HB ILE 20 12.756 4.501 -6.930 145 HG12 ILE 20 HG12 ILE 20 10.648 5.001 -5.746 146 HG13 ILE 20 HG11 ILE 20 10.954 6.141 -7.053 147 HG21 ILE 20 HG21 ILE 20 10.998 4.010 -9.330 148 HG22 ILE 20 HG22 ILE 20 12.734 3.716 -9.230 149 HG23 ILE 20 HG23 ILE 20 12.111 5.364 -9.130 150 HD11 ILE 20 HD11 ILE 20 9.358 4.949 -8.463 151 HD12 ILE 20 HD12 ILE 20 8.616 5.509 -6.965 152 HD13 ILE 20 HD13 ILE 20 9.052 3.810 -7.152 153 H ALA 21 HN ALA 21 13.976 2.388 -6.341 154 HA ALA 21 HA ALA 21 14.967 1.154 -8.662 155 HB1 ALA 21 HB1 ALA 21 16.905 0.552 -7.315 156 HB2 ALA 21 HB2 ALA 21 16.008 0.915 -5.840 157 HB3 ALA 21 HB3 ALA 21 16.396 2.206 -6.977 158 H VAL 22 HN VAL 22 13.575 -0.226 -5.715 159 HA VAL 22 HA VAL 22 14.049 -2.943 -6.259 160 HB VAL 22 HB VAL 22 11.642 -1.797 -4.821 161 HG11 VAL 22 HG11 VAL 22 11.398 -4.146 -5.372 162 HG12 VAL 22 HG12 VAL 22 11.626 -3.942 -3.635 163 HG13 VAL 22 HG13 VAL 22 12.963 -4.501 -4.640 164 HG21 VAL 22 HG21 VAL 22 12.966 -2.151 -2.749 165 HG22 VAL 22 HG22 VAL 22 13.615 -0.880 -3.789 166 HG23 VAL 22 HG23 VAL 22 14.380 -2.474 -3.753 167 H LEU 23 HN LEU 23 11.401 -0.791 -7.166 168 HA LEU 23 HA LEU 23 9.765 -2.701 -8.423 169 HG LEU 23 HG LEU 23 9.278 -0.193 -6.677 170 HB2 LEU 23 HB2 LEU 23 10.053 0.252 -8.977 171 HB3 LEU 23 HB1 LEU 23 8.762 -0.758 -9.598 172 HD11 LEU 23 HD11 LEU 23 7.147 0.847 -8.537 173 HD12 LEU 23 HD12 LEU 23 8.483 1.777 -7.862 174 HD13 LEU 23 HD13 LEU 23 7.229 1.136 -6.800 175 HD21 LEU 23 HD21 LEU 23 8.281 -2.386 -7.031 176 HD22 LEU 23 HD22 LEU 23 7.028 -1.667 -8.042 177 HD23 LEU 23 HD23 LEU 23 7.108 -1.275 -6.325 178 H GLU 24 HN GLU 24 12.436 -0.731 -9.636 179 HA GLU 24 HA GLU 24 12.121 -1.589 -12.345 180 HB2 GLU 24 HB2 GLU 24 14.149 -0.008 -10.839 181 HB3 GLU 24 HB1 GLU 24 14.603 -0.677 -12.402 182 HG2 GLU 24 HG2 GLU 24 12.180 1.046 -11.946 183 HG3 GLU 24 HG1 GLU 24 13.746 1.653 -12.484 184 H LYS 25 HN LYS 25 13.678 -2.924 -9.572 185 HA LYS 25 HA LYS 25 15.474 -4.616 -11.021 186 HB2 LYS 25 HB2 LYS 25 14.502 -4.646 -8.169 187 HB3 LYS 25 HB1 LYS 25 15.609 -5.854 -8.804 188 HG2 LYS 25 HG2 LYS 25 17.189 -4.038 -9.383 189 HG3 LYS 25 HG1 LYS 25 16.095 -2.891 -8.604 190 HD2 LYS 25 HD2 LYS 25 16.364 -3.990 -6.483 191 HD3 LYS 25 HD1 LYS 25 17.299 -5.288 -7.227 192 HE2 LYS 25 HE2 LYS 25 18.820 -3.807 -6.131 193 HE3 LYS 25 HE1 LYS 25 19.010 -3.602 -7.871 194 HZ1 LYS 25 HZ1 LYS 25 17.545 -1.633 -7.690 195 HZ2 LYS 25 HZ2 LYS 25 19.000 -1.472 -6.849 196 HZ3 LYS 25 HZ3 LYS 25 17.571 -1.796 -6.003 197 H HIS 26 HN HIS 26 12.132 -4.797 -10.157 198 HA HIS 26 HA HIS 26 12.115 -7.660 -10.848 199 HD1 HIS 26 HD1 HIS 26 12.571 -8.979 -8.962 200 HD2 HIS 26 HD2 HIS 26 10.793 -6.033 -6.615 201 HE1 HIS 26 HE1 HIS 26 13.566 -9.241 -6.668 202 HE2 HIS 26 HE2 HIS 26 12.592 -7.367 -5.296 203 HB2 HIS 26 HB2 HIS 26 10.109 -6.073 -9.235 204 HB3 HIS 26 HB1 HIS 26 9.930 -7.769 -9.667 205 H LYS 27 HN LYS 27 10.662 -4.552 -11.517 206 HA LYS 27 HA LYS 27 9.331 -3.762 -13.152 207 HB2 LYS 27 HB2 LYS 27 10.760 -5.933 -14.680 208 HB3 LYS 27 HB1 LYS 27 9.713 -4.741 -15.441 209 HG2 LYS 27 HG2 LYS 27 11.151 -2.946 -14.633 210 HG3 LYS 27 HG1 LYS 27 12.193 -4.132 -13.845 211 HD2 LYS 27 HD2 LYS 27 12.706 -5.126 -16.022 212 HD3 LYS 27 HD1 LYS 27 11.658 -3.943 -16.809 213 HE2 LYS 27 HE2 LYS 27 14.085 -3.253 -15.158 214 HE3 LYS 27 HE1 LYS 27 14.077 -3.375 -16.917 215 HZ1 LYS 27 HZ1 LYS 27 12.392 -1.610 -16.966 216 HZ2 LYS 27 HZ2 LYS 27 13.840 -1.094 -16.258 217 HZ3 LYS 27 HZ3 LYS 27 12.504 -1.449 -15.277 218 H ALA 28 HN ALA 28 7.474 -4.458 -11.953 219 HA ALA 28 HA ALA 28 6.011 -6.686 -13.173 220 HB1 ALA 28 HB1 ALA 28 5.387 -5.108 -10.674 221 HB2 ALA 28 HB2 ALA 28 6.151 -6.696 -10.726 222 HB3 ALA 28 HB3 ALA 28 4.485 -6.501 -11.271 223 HA PRO 29 HA PRO 29 3.592 -3.933 -15.578 224 HB2 PRO 29 HB2 PRO 29 1.307 -5.337 -15.893 225 HB3 PRO 29 HB1 PRO 29 2.836 -5.832 -16.628 226 HG2 PRO 29 HG2 PRO 29 1.534 -6.826 -14.121 227 HG3 PRO 29 HG1 PRO 29 2.298 -7.754 -15.426 228 HD2 PRO 29 HD2 PRO 29 3.563 -7.198 -13.096 229 HD3 PRO 29 HD1 PRO 29 4.424 -7.348 -14.642 230 H VAL 30 HN VAL 30 3.470 -3.223 -12.797 231 HA VAL 30 HA VAL 30 2.429 -1.611 -11.590 232 HB VAL 30 HB VAL 30 0.379 -1.618 -13.809 233 HG11 VAL 30 HG11 VAL 30 -0.371 0.526 -12.882 234 HG12 VAL 30 HG12 VAL 30 0.734 0.318 -11.522 235 HG13 VAL 30 HG13 VAL 30 -0.613 -0.799 -11.743 236 HG21 VAL 30 HG21 VAL 30 2.592 -0.906 -14.533 237 HG22 VAL 30 HG22 VAL 30 2.669 0.253 -13.205 238 HG23 VAL 30 HG23 VAL 30 1.481 0.464 -14.492 239 H ASP 31 HN ASP 31 0.012 -3.825 -12.936 240 HA ASP 31 HA ASP 31 -1.794 -3.655 -10.786 241 HB2 ASP 31 HB2 ASP 31 -2.419 -4.530 -12.992 242 HB3 ASP 31 HB1 ASP 31 -1.377 -5.926 -12.743 243 H LEU 32 HN LEU 32 0.532 -6.229 -11.559 244 HA LEU 32 HA LEU 32 0.269 -7.692 -9.202 245 HG LEU 32 HG LEU 32 0.658 -8.443 -12.079 246 HB2 LEU 32 HB2 LEU 32 2.647 -7.357 -11.027 247 HB3 LEU 32 HB1 LEU 32 2.563 -8.543 -9.738 248 HD11 LEU 32 HD11 LEU 32 1.867 -10.401 -12.902 249 HD12 LEU 32 HD12 LEU 32 3.031 -10.235 -11.588 250 HD13 LEU 32 HD13 LEU 32 2.912 -8.983 -12.824 251 HD21 LEU 32 HD21 LEU 32 0.022 -10.679 -11.317 252 HD22 LEU 32 HD22 LEU 32 -0.293 -9.461 -10.084 253 HD23 LEU 32 HD23 LEU 32 1.110 -10.519 -9.939 254 H SER 33 HN SER 33 2.138 -4.811 -9.897 255 HA SER 33 HA SER 33 3.797 -4.827 -7.620 256 HG SER 33 HG SER 33 4.804 -2.740 -10.242 257 HB2 SER 33 HB2 SER 33 2.731 -2.359 -9.004 258 HB3 SER 33 HB1 SER 33 4.261 -2.541 -8.146 259 H LEU 34 HN LEU 34 0.582 -3.497 -8.240 260 HA LEU 34 HA LEU 34 0.278 -2.298 -5.679 261 HG LEU 34 HG LEU 34 -0.311 -1.358 -8.574 262 HB2 LEU 34 HB2 LEU 34 -1.788 -3.134 -7.714 263 HB3 LEU 34 HB1 LEU 34 -2.121 -2.162 -6.293 264 HD11 LEU 34 HD11 LEU 34 -3.078 -0.428 -7.824 265 HD12 LEU 34 HD12 LEU 34 -2.648 -1.392 -9.236 266 HD13 LEU 34 HD13 LEU 34 -2.068 0.267 -9.092 267 HD21 LEU 34 HD21 LEU 34 -1.235 0.177 -6.146 268 HD22 LEU 34 HD22 LEU 34 -0.302 0.839 -7.489 269 HD23 LEU 34 HD23 LEU 34 0.403 -0.401 -6.451 270 H ILE 35 HN ILE 35 -0.361 -5.480 -6.988 271 HA ILE 35 HA ILE 35 -1.944 -6.411 -4.823 272 HB ILE 35 HB ILE 35 -0.216 -8.036 -6.699 273 HG12 ILE 35 HG12 ILE 35 -3.153 -7.311 -6.861 274 HG13 ILE 35 HG11 ILE 35 -1.879 -6.645 -7.879 275 HG21 ILE 35 HG21 ILE 35 -1.724 -9.885 -6.105 276 HG22 ILE 35 HG22 ILE 35 -2.529 -8.839 -4.935 277 HG23 ILE 35 HG23 ILE 35 -0.837 -9.281 -4.706 278 HD11 ILE 35 HD11 ILE 35 -2.751 -9.522 -7.784 279 HD12 ILE 35 HD12 ILE 35 -1.460 -8.871 -8.792 280 HD13 ILE 35 HD13 ILE 35 -3.125 -8.355 -9.051 281 H ALA 36 HN ALA 36 1.545 -6.507 -5.491 282 HA ALA 36 HA ALA 36 2.343 -7.929 -3.219 283 HB1 ALA 36 HB1 ALA 36 4.538 -6.882 -3.556 284 HB2 ALA 36 HB2 ALA 36 3.817 -5.743 -4.694 285 HB3 ALA 36 HB3 ALA 36 3.859 -7.465 -5.075 286 H LEU 37 HN LEU 37 1.843 -4.465 -3.749 287 HA LEU 37 HA LEU 37 2.518 -3.635 -1.135 288 HG LEU 37 HG LEU 37 0.473 -1.277 -0.910 289 HB2 LEU 37 HB2 LEU 37 2.401 -2.120 -3.078 290 HB3 LEU 37 HB1 LEU 37 0.663 -2.334 -3.133 291 HD11 LEU 37 HD11 LEU 37 2.412 -0.116 0.039 292 HD12 LEU 37 HD12 LEU 37 3.440 -0.826 -1.206 293 HD13 LEU 37 HD13 LEU 37 2.654 -1.863 -0.015 294 HD21 LEU 37 HD21 LEU 37 0.999 1.002 -1.633 295 HD22 LEU 37 HD22 LEU 37 0.229 0.075 -2.921 296 HD23 LEU 37 HD23 LEU 37 1.969 0.357 -2.956 297 H GLY 38 HN GLY 38 -0.535 -4.594 -2.642 298 HA2 GLY 38 HA2 GLY 38 -2.252 -4.022 -0.495 299 HA3 GLY 38 HA1 GLY 38 -2.545 -5.231 -1.739 300 H ASN 39 HN ASN 39 -0.477 -7.002 -1.277 301 HA ASN 39 HA ASN 39 -1.373 -8.534 0.895 302 HB2 ASN 39 HB2 ASN 39 1.073 -8.604 -0.833 303 HB3 ASN 39 HB1 ASN 39 1.007 -9.621 0.602 304 HD21 ASN 39 HD21 ASN 39 -0.411 -8.971 -2.522 305 HD22 ASN 39 HD22 ASN 39 -1.229 -10.489 -2.671 306 H MET 40 HN MET 40 1.357 -6.311 0.585 307 HA MET 40 HA MET 40 2.404 -6.685 3.173 308 HB2 MET 40 HB2 MET 40 3.688 -5.591 1.411 309 HB3 MET 40 HB1 MET 40 2.531 -4.268 1.358 310 HG2 MET 40 HG2 MET 40 3.130 -3.648 3.639 311 HG3 MET 40 HG1 MET 40 4.283 -4.978 3.697 312 HE1 MET 40 HE1 MET 40 6.547 -1.775 3.572 313 HE2 MET 40 HE2 MET 40 6.129 -3.229 4.480 314 HE3 MET 40 HE3 MET 40 4.970 -1.906 4.351 315 H ALA 41 HN ALA 41 0.133 -4.269 1.887 316 HA ALA 41 HA ALA 41 -0.299 -2.793 4.199 317 HB1 ALA 41 HB1 ALA 41 -1.130 -2.133 1.987 318 HB2 ALA 41 HB2 ALA 41 -2.416 -2.106 3.194 319 HB3 ALA 41 HB3 ALA 41 -2.316 -3.438 2.043 320 H SER 42 HN SER 42 -2.120 -5.606 3.020 321 HA SER 42 HA SER 42 -3.945 -5.783 5.126 322 HG SER 42 HG SER 42 -3.548 -6.557 2.069 323 HB2 SER 42 HB2 SER 42 -2.813 -8.084 3.517 324 HB3 SER 42 HB1 SER 42 -4.369 -8.036 4.345 325 H ASN 43 HN ASN 43 -0.774 -7.300 4.702 326 HA ASN 43 HA ASN 43 -0.787 -8.905 6.997 327 HB2 ASN 43 HB2 ASN 43 0.837 -9.246 5.234 328 HB3 ASN 43 HB1 ASN 43 1.517 -7.644 5.494 329 HD21 ASN 43 HD21 ASN 43 3.559 -8.384 5.906 330 HD22 ASN 43 HD22 ASN 43 3.983 -9.233 7.355 331 H LEU 44 HN LEU 44 0.680 -5.680 6.530 332 HA LEU 44 HA LEU 44 1.670 -5.467 9.149 333 HG LEU 44 HG LEU 44 3.523 -2.942 7.229 334 HB2 LEU 44 HB2 LEU 44 1.173 -3.538 6.937 335 HB3 LEU 44 HB1 LEU 44 1.475 -2.896 8.538 336 HD11 LEU 44 HD11 LEU 44 3.528 -4.999 9.429 337 HD12 LEU 44 HD12 LEU 44 3.695 -3.255 9.631 338 HD13 LEU 44 HD13 LEU 44 4.946 -4.169 8.787 339 HD21 LEU 44 HD21 LEU 44 3.004 -4.783 5.728 340 HD22 LEU 44 HD22 LEU 44 3.100 -5.922 7.069 341 HD23 LEU 44 HD23 LEU 44 4.544 -5.059 6.542 342 H LEU 45 HN LEU 45 -1.426 -4.468 7.764 343 HA LEU 45 HA LEU 45 -2.248 -2.984 10.044 344 HG LEU 45 HG LEU 45 -2.381 -2.347 7.061 345 HB2 LEU 45 HB2 LEU 45 -3.839 -4.198 7.788 346 HB3 LEU 45 HB1 LEU 45 -4.530 -3.161 9.022 347 HD11 LEU 45 HD11 LEU 45 -4.538 -2.685 5.981 348 HD12 LEU 45 HD12 LEU 45 -4.134 -0.969 6.058 349 HD13 LEU 45 HD13 LEU 45 -5.312 -1.650 7.180 350 HD21 LEU 45 HD21 LEU 45 -3.907 -0.737 9.107 351 HD22 LEU 45 HD22 LEU 45 -2.777 -0.089 7.918 352 HD23 LEU 45 HD23 LEU 45 -2.199 -1.167 9.188 353 H THR 46 HN THR 46 -2.447 -6.374 9.208 354 HA THR 46 HA THR 46 -4.335 -6.837 11.383 355 HB THR 46 HB THR 46 -4.246 -9.235 10.595 356 HG1 THR 46 HG1 THR 46 -2.983 -8.161 8.284 357 HG21 THR 46 HG21 THR 46 -5.623 -8.811 8.602 358 HG22 THR 46 HG22 THR 46 -5.080 -7.133 8.591 359 HG23 THR 46 HG23 THR 46 -6.053 -7.737 9.932 360 H THR 47 HN THR 47 -1.146 -6.367 11.337 361 HA THR 47 HA THR 47 -0.677 -8.390 13.424 362 HB THR 47 HB THR 47 1.749 -8.366 12.721 363 HG1 THR 47 HG1 THR 47 0.851 -7.460 10.200 364 HG21 THR 47 HG21 THR 47 0.274 -10.236 12.174 365 HG22 THR 47 HG22 THR 47 1.413 -9.934 10.864 366 HG23 THR 47 HG23 THR 47 -0.262 -9.401 10.716 367 H SER 48 HN SER 48 0.313 -5.180 12.206 368 HA SER 48 HA SER 48 1.915 -4.747 14.580 369 HG SER 48 HG SER 48 2.429 -5.001 11.888 370 HB2 SER 48 HB2 SER 48 1.336 -2.858 12.292 371 HB3 SER 48 HB1 SER 48 2.613 -2.690 13.499 372 H VAL 49 HN VAL 49 -1.018 -3.359 13.151 373 HA VAL 49 HA VAL 49 -1.428 -1.819 15.615 374 HB VAL 49 HB VAL 49 -3.169 -0.591 14.340 375 HG11 VAL 49 HG11 VAL 49 -0.906 0.291 14.455 376 HG12 VAL 49 HG12 VAL 49 -1.636 0.654 12.891 377 HG13 VAL 49 HG13 VAL 49 -0.454 -0.647 13.030 378 HG21 VAL 49 HG21 VAL 49 -2.191 -2.224 12.002 379 HG22 VAL 49 HG22 VAL 49 -3.301 -0.858 11.910 380 HG23 VAL 49 HG23 VAL 49 -3.783 -2.330 12.753 381 HA PRO 50 HA PRO 50 -4.875 -4.243 17.028 382 HB2 PRO 50 HB2 PRO 50 -6.602 -1.830 16.879 383 HB3 PRO 50 HB1 PRO 50 -6.270 -2.894 18.250 384 HG2 PRO 50 HG2 PRO 50 -5.187 -0.460 18.108 385 HG3 PRO 50 HG1 PRO 50 -4.275 -1.833 18.761 386 HD2 PRO 50 HD2 PRO 50 -4.061 -0.510 16.090 387 HD3 PRO 50 HD1 PRO 50 -2.783 -1.182 17.123 388 H GLN 51 HN GLN 51 -6.100 -5.591 15.899 389 HA GLN 51 HA GLN 51 -6.622 -5.246 13.168 390 HB2 GLN 51 HB2 GLN 51 -7.822 -7.192 15.147 391 HB3 GLN 51 HB1 GLN 51 -8.065 -7.284 13.411 392 HG2 GLN 51 HG2 GLN 51 -6.385 -8.853 13.976 393 HG3 GLN 51 HG1 GLN 51 -5.591 -7.514 13.153 394 HE21 GLN 51 HE21 GLN 51 -3.598 -8.098 14.076 395 HE22 GLN 51 HE22 GLN 51 -3.243 -7.760 15.737 396 H THR 52 HN THR 52 -8.647 -4.724 16.006 397 HA THR 52 HA THR 52 -11.044 -4.273 14.496 398 HB THR 52 HB THR 52 -11.072 -5.060 16.851 399 HG1 THR 52 HG1 THR 52 -12.761 -3.534 15.744 400 HG21 THR 52 HG21 THR 52 -10.184 -2.246 17.492 401 HG22 THR 52 HG22 THR 52 -9.238 -3.715 17.732 402 HG23 THR 52 HG23 THR 52 -10.710 -3.452 18.669 403 H GLN 53 HN GLN 53 -8.286 -2.413 15.066 404 HA GLN 53 HA GLN 53 -9.741 0.130 14.885 405 HB2 GLN 53 HB2 GLN 53 -8.057 -0.254 16.722 406 HB3 GLN 53 HB1 GLN 53 -6.812 -0.307 15.484 407 HG2 GLN 53 HG2 GLN 53 -6.838 1.865 16.483 408 HG3 GLN 53 HG1 GLN 53 -7.421 1.990 14.823 409 HE21 GLN 53 HE21 GLN 53 -8.281 2.133 18.189 410 HE22 GLN 53 HE22 GLN 53 -9.830 2.878 17.963 411 H CYS 54 HN CYS 54 -7.593 -1.975 13.154 412 HA CYS 54 HA CYS 54 -6.376 -0.108 11.455 413 HG CYS 54 HG CYS 54 -8.119 -3.802 11.722 414 HB2 CYS 54 HB2 CYS 54 -5.742 -1.982 10.064 415 HB3 CYS 54 HB1 CYS 54 -5.567 -2.423 11.758 416 H GLU 55 HN GLU 55 -9.510 -1.646 11.300 417 HA GLU 55 HA GLU 55 -10.125 -1.221 8.611 418 HB2 GLU 55 HB2 GLU 55 -12.016 -1.076 10.963 419 HB3 GLU 55 HB1 GLU 55 -12.473 -1.320 9.284 420 HG2 GLU 55 HG2 GLU 55 -11.178 -3.437 9.300 421 HG3 GLU 55 HG1 GLU 55 -10.907 -3.202 11.028 422 H ALA 56 HN ALA 56 -10.510 0.901 11.414 423 HA ALA 56 HA ALA 56 -11.762 3.015 9.987 424 HB1 ALA 56 HB1 ALA 56 -11.345 4.350 11.982 425 HB2 ALA 56 HB2 ALA 56 -10.254 3.108 12.599 426 HB3 ALA 56 HB3 ALA 56 -11.973 2.759 12.416 427 H LEU 57 HN LEU 57 -8.428 2.369 10.987 428 HA LEU 57 HA LEU 57 -7.333 4.793 10.066 429 HG LEU 57 HG LEU 57 -4.787 3.394 12.316 430 HB2 LEU 57 HB2 LEU 57 -6.208 2.125 10.781 431 HB3 LEU 57 HB1 LEU 57 -5.185 3.260 9.925 432 HD11 LEU 57 HD11 LEU 57 -6.251 5.816 11.281 433 HD12 LEU 57 HD12 LEU 57 -4.553 5.429 11.002 434 HD13 LEU 57 HD13 LEU 57 -5.118 5.790 12.634 435 HD21 LEU 57 HD21 LEU 57 -6.514 4.179 13.856 436 HD22 LEU 57 HD22 LEU 57 -6.957 2.638 13.120 437 HD23 LEU 57 HD23 LEU 57 -7.700 4.133 12.551 438 H ALA 58 HN ALA 58 -7.561 1.602 8.504 439 HA ALA 58 HA ALA 58 -6.215 2.320 6.137 440 HB1 ALA 58 HB1 ALA 58 -8.346 0.217 6.510 441 HB2 ALA 58 HB2 ALA 58 -6.620 -0.003 6.798 442 HB3 ALA 58 HB3 ALA 58 -7.208 0.319 5.166 443 H GLN 59 HN GLN 59 -9.651 2.368 6.990 444 HA GLN 59 HA GLN 59 -10.607 3.180 4.464 445 HB2 GLN 59 HB2 GLN 59 -11.980 2.209 6.325 446 HB3 GLN 59 HB1 GLN 59 -11.846 3.749 7.162 447 HG2 GLN 59 HG2 GLN 59 -12.997 4.854 5.318 448 HG3 GLN 59 HG1 GLN 59 -13.120 3.313 4.472 449 HE21 GLN 59 HE21 GLN 59 -13.593 1.864 6.987 450 HE22 GLN 59 HE22 GLN 59 -15.236 2.192 7.408 451 H ALA 60 HN ALA 60 -9.718 5.005 7.374 452 HA ALA 60 HA ALA 60 -10.330 7.566 6.370 453 HB1 ALA 60 HB1 ALA 60 -9.984 7.118 8.752 454 HB2 ALA 60 HB2 ALA 60 -8.944 8.421 8.181 455 HB3 ALA 60 HB3 ALA 60 -8.274 6.812 8.445 456 H PHE 61 HN PHE 61 -7.322 5.680 6.351 457 HA PHE 61 HA PHE 61 -5.674 7.621 5.176 458 HD1 PHE 61 HD2 PHE 61 -3.099 7.086 6.193 459 HD2 PHE 61 HD1 PHE 61 -4.039 4.662 2.816 460 HE1 PHE 61 HE2 PHE 61 -0.878 7.549 5.243 461 HE2 PHE 61 HE1 PHE 61 -1.819 5.123 1.868 462 HZ PHE 61 HZ PHE 61 -0.237 6.568 3.078 463 HB2 PHE 61 HB2 PHE 61 -4.950 5.428 6.230 464 HB3 PHE 61 HB1 PHE 61 -5.443 4.638 4.737 465 H SER 62 HN SER 62 -7.670 5.081 3.723 466 HA SER 62 HA SER 62 -6.954 5.597 1.050 467 HG SER 62 HG SER 62 -7.821 3.213 2.865 468 HB2 SER 62 HB2 SER 62 -9.533 4.430 2.114 469 HB3 SER 62 HB1 SER 62 -8.916 4.268 0.468 470 H ASN 63 HN ASN 63 -9.734 6.721 2.985 471 HA ASN 63 HA ASN 63 -10.875 8.329 0.985 472 HB2 ASN 63 HB2 ASN 63 -11.077 8.260 3.966 473 HB3 ASN 63 HB1 ASN 63 -11.748 9.639 3.102 474 HD21 ASN 63 HD21 ASN 63 -13.020 7.453 4.641 475 HD22 ASN 63 HD22 ASN 63 -14.182 6.753 3.566 476 H SER 64 HN SER 64 -8.308 8.968 3.301 477 HA SER 64 HA SER 64 -8.052 11.731 2.739 478 HG SER 64 HG SER 64 -6.425 12.637 4.033 479 HB2 SER 64 HB2 SER 64 -7.042 10.449 4.706 480 HB3 SER 64 HB1 SER 64 -5.800 9.897 3.584 481 H LEU 65 HN LEU 65 -6.724 8.807 1.285 482 HA LEU 65 HA LEU 65 -5.051 10.103 -0.598 483 HG LEU 65 HG LEU 65 -4.799 7.462 1.098 484 HB2 LEU 65 HB2 LEU 65 -6.405 7.406 -0.741 485 HB3 LEU 65 HB1 LEU 65 -5.172 7.964 -1.856 486 HD11 LEU 65 HD11 LEU 65 -5.010 5.420 -0.205 487 HD12 LEU 65 HD12 LEU 65 -3.349 5.640 0.347 488 HD13 LEU 65 HD13 LEU 65 -3.776 5.992 -1.327 489 HD21 LEU 65 HD21 LEU 65 -3.423 9.326 0.337 490 HD22 LEU 65 HD22 LEU 65 -2.810 8.344 -0.992 491 HD23 LEU 65 HD23 LEU 65 -2.432 7.907 0.673 492 H ILE 66 HN ILE 66 -8.451 9.137 -0.631 493 HA ILE 66 HA ILE 66 -9.068 9.764 -3.284 494 HB ILE 66 HB ILE 66 -10.880 10.278 -0.915 495 HG12 ILE 66 HG12 ILE 66 -10.036 7.995 -0.783 496 HG13 ILE 66 HG11 ILE 66 -11.730 7.987 -1.261 497 HG21 ILE 66 HG21 ILE 66 -11.475 9.694 -3.812 498 HG22 ILE 66 HG22 ILE 66 -11.717 11.227 -2.973 499 HG23 ILE 66 HG23 ILE 66 -12.684 9.818 -2.533 500 HD11 ILE 66 HD11 ILE 66 -9.376 7.615 -3.094 501 HD12 ILE 66 HD12 ILE 66 -11.072 7.601 -3.576 502 HD13 ILE 66 HD13 ILE 66 -10.449 6.349 -2.500 503 H ASN 67 HN ASN 67 -9.039 11.804 -0.389 504 HA ASN 67 HA ASN 67 -9.735 14.229 -1.636 505 HB2 ASN 67 HB2 ASN 67 -9.829 13.997 0.776 506 HB3 ASN 67 HB1 ASN 67 -8.097 13.700 0.855 507 HD21 ASN 67 HD21 ASN 67 -6.693 15.401 0.784 508 HD22 ASN 67 HD22 ASN 67 -7.188 17.060 0.802 509 H ALA 68 HN ALA 68 -6.637 12.621 -1.160 510 HA ALA 68 HA ALA 68 -5.001 14.709 -2.140 511 HB1 ALA 68 HB1 ALA 68 -3.276 12.997 -2.378 512 HB2 ALA 68 HB2 ALA 68 -4.487 11.735 -2.149 513 HB3 ALA 68 HB3 ALA 68 -4.111 12.846 -0.831 514 H VAL 69 HN VAL 69 -6.567 11.941 -3.706 515 HA VAL 69 HA VAL 69 -5.588 12.312 -6.300 516 HB VAL 69 HB VAL 69 -8.288 11.249 -5.438 517 HG11 VAL 69 HG11 VAL 69 -6.890 11.008 -8.102 518 HG12 VAL 69 HG12 VAL 69 -8.347 11.946 -7.774 519 HG13 VAL 69 HG13 VAL 69 -8.382 10.187 -7.646 520 HG21 VAL 69 HG21 VAL 69 -6.414 9.980 -4.539 521 HG22 VAL 69 HG22 VAL 69 -5.723 9.831 -6.155 522 HG23 VAL 69 HG23 VAL 69 -7.259 9.050 -5.776 523 H LYS 70 HN LYS 70 -8.512 13.643 -4.760 524 HA LYS 70 HA LYS 70 -9.461 15.181 -6.873 525 HB2 LYS 70 HB2 LYS 70 -9.452 15.984 -3.955 526 HB3 LYS 70 HB1 LYS 70 -10.524 16.605 -5.201 527 HG2 LYS 70 HG2 LYS 70 -11.560 14.418 -5.425 528 HG3 LYS 70 HG1 LYS 70 -10.453 13.757 -4.219 529 HD2 LYS 70 HD2 LYS 70 -11.346 15.487 -2.618 530 HD3 LYS 70 HD1 LYS 70 -12.584 15.848 -3.820 531 HE2 LYS 70 HE2 LYS 70 -12.117 13.144 -2.571 532 HE3 LYS 70 HE1 LYS 70 -13.353 14.290 -2.061 533 HZ1 LYS 70 HZ1 LYS 70 -13.174 12.844 -4.648 534 HZ2 LYS 70 HZ2 LYS 70 -14.216 14.160 -4.401 535 HZ3 LYS 70 HZ3 LYS 70 -14.395 12.750 -3.475 536 H THR 71 HN THR 71 -7.057 15.968 -4.410 537 HA THR 71 HA THR 71 -6.531 18.604 -5.291 538 HB THR 71 HB THR 71 -4.751 16.755 -3.684 539 HG1 THR 71 HG1 THR 71 -6.731 17.009 -2.635 540 HG21 THR 71 HG21 THR 71 -3.572 18.732 -4.557 541 HG22 THR 71 HG22 THR 71 -3.759 18.807 -2.805 542 HG23 THR 71 HG23 THR 71 -4.804 19.774 -3.844 543 H ARG 72 HN ARG 72 -5.323 15.479 -6.277 544 HA ARG 72 HA ARG 72 -3.083 16.469 -7.755 545 HE ARG 72 HE ARG 72 -0.340 13.988 -5.467 546 HB2 ARG 72 HB2 ARG 72 -4.568 13.854 -7.714 547 HB3 ARG 72 HB1 ARG 72 -3.311 14.164 -8.902 548 HG2 ARG 72 HG2 ARG 72 -2.857 14.410 -5.942 549 HG3 ARG 72 HG1 ARG 72 -2.601 12.914 -6.839 550 HD2 ARG 72 HD2 ARG 72 -1.031 14.152 -8.325 551 HD3 ARG 72 HD1 ARG 72 -1.210 15.552 -7.270 552 HH11 ARG 72 HH11 ARG 72 0.559 13.687 -8.840 553 HH12 ARG 72 HH12 ARG 72 2.096 12.954 -8.498 554 HH21 ARG 72 HH21 ARG 72 1.657 13.007 -5.016 555 HH22 ARG 72 HH22 ARG 72 2.701 12.526 -6.323 556 H LEU 73 HN LEU 73 -6.415 15.594 -8.554 557 HA LEU 73 HA LEU 73 -6.182 16.108 -11.335 558 HG LEU 73 HG LEU 73 -7.899 14.496 -12.159 559 HB2 LEU 73 HB2 LEU 73 -8.431 15.691 -9.434 560 HB3 LEU 73 HB1 LEU 73 -8.799 16.444 -10.972 561 HD11 LEU 73 HD11 LEU 73 -7.309 12.460 -10.955 562 HD12 LEU 73 HD12 LEU 73 -7.499 13.306 -9.418 563 HD13 LEU 73 HD13 LEU 73 -6.224 13.785 -10.538 564 HD21 LEU 73 HD21 LEU 73 -9.650 12.902 -11.540 565 HD22 LEU 73 HD22 LEU 73 -10.262 14.555 -11.615 566 HD23 LEU 73 HD23 LEU 73 -9.939 13.804 -10.052 567 H GLU 74 HN GLU 74 -7.219 18.092 -8.588 568 HA GLU 74 HA GLU 74 -7.818 20.399 -10.150 569 HB2 GLU 74 HB2 GLU 74 -7.063 20.170 -7.230 570 HB3 GLU 74 HB1 GLU 74 -7.697 21.619 -7.995 571 HG2 GLU 74 HG2 GLU 74 -9.119 18.996 -7.626 572 HG3 GLU 74 HG1 GLU 74 -9.453 20.518 -6.800 573 H HIS 75 HN HIS 75 -5.161 19.875 -7.864 574 HA HIS 75 HA HIS 75 -3.568 21.889 -9.217 575 HD1 HIS 75 HD1 HIS 75 -0.601 20.096 -6.409 576 HD2 HIS 75 HD2 HIS 75 -1.723 23.825 -7.866 577 HE1 HIS 75 HE1 HIS 75 1.500 21.476 -6.424 578 HE2 HIS 75 HE2 HIS 75 0.756 23.781 -7.117 579 HB2 HIS 75 HB2 HIS 75 -3.693 21.900 -6.761 580 HB3 HIS 75 HB1 HIS 75 -3.042 20.268 -6.710 581 H HIS 76 HN HIS 76 -3.595 20.402 -11.132 582 HA HIS 76 HA HIS 76 -1.795 18.152 -11.021 583 HD1 HIS 76 HD1 HIS 76 -5.569 19.065 -12.865 584 HD2 HIS 76 HD2 HIS 76 -2.314 21.053 -14.525 585 HE1 HIS 76 HE1 HIS 76 -6.534 21.019 -14.110 586 HE2 HIS 76 HE2 HIS 76 -4.536 22.338 -14.887 587 HB2 HIS 76 HB2 HIS 76 -2.085 18.289 -13.603 588 HB3 HIS 76 HB1 HIS 76 -3.445 17.781 -12.615 589 H HIS 77 HN HIS 77 0.201 17.993 -12.150 590 HA HIS 77 HA HIS 77 1.807 20.293 -11.534 591 HD1 HIS 77 HD1 HIS 77 5.488 18.634 -12.333 592 HD2 HIS 77 HD2 HIS 77 2.917 19.312 -9.132 593 HE1 HIS 77 HE1 HIS 77 6.948 19.394 -10.433 594 HE2 HIS 77 HE2 HIS 77 5.394 19.583 -8.454 595 HB2 HIS 77 HB2 HIS 77 2.195 17.571 -11.483 596 HB3 HIS 77 HB1 HIS 77 3.140 18.060 -12.885 597 H HIS 78 HN HIS 78 -0.017 20.060 -14.034 598 HA HIS 78 HA HIS 78 -0.095 20.926 -16.125 599 HD1 HIS 78 HD1 HIS 78 2.982 23.830 -14.149 600 HD2 HIS 78 HD2 HIS 78 -0.962 23.313 -15.377 601 HE1 HIS 78 HE1 HIS 78 1.646 25.563 -12.900 602 HE2 HIS 78 HE2 HIS 78 -0.750 25.167 -13.579 603 HB2 HIS 78 HB2 HIS 78 2.733 21.886 -15.629 604 HB3 HIS 78 HB1 HIS 78 1.682 22.403 -16.940 605 H HIS 79 HN HIS 79 3.328 20.008 -15.882 606 HA HIS 79 HA HIS 79 2.939 18.272 -18.223 607 HD1 HIS 79 HD1 HIS 79 6.446 21.429 -18.198 608 HD2 HIS 79 HD2 HIS 79 2.890 20.081 -19.891 609 HE1 HIS 79 HE1 HIS 79 5.733 23.226 -19.809 610 HE2 HIS 79 HE2 HIS 79 3.676 22.311 -20.942 611 HB2 HIS 79 HB2 HIS 79 5.492 19.391 -17.034 612 HB3 HIS 79 HB1 HIS 79 5.401 18.368 -18.461 613 H HIS 80 HN HIS 80 4.825 16.462 -18.075 614 HA HIS 80 HA HIS 80 4.893 15.319 -15.401 615 HD1 HIS 80 HD1 HIS 80 1.933 15.145 -18.419 616 HD2 HIS 80 HD2 HIS 80 4.868 12.244 -18.953 617 HE1 HIS 80 HE1 HIS 80 1.749 14.423 -20.820 618 HE2 HIS 80 HE2 HIS 80 3.680 12.844 -21.170 619 HB2 HIS 80 HB2 HIS 80 4.255 13.053 -16.351 620 HB3 HIS 80 HB1 HIS 80 2.949 14.219 -16.210 621 HA MET 1 HA MET 1 -0.734 -7.608 -24.542 622 H1 MET 1 HT1 MET 1 -0.646 -4.966 -23.228 623 H2 MET 1 HT2 MET 1 -1.656 -6.231 -22.741 624 H3 MET 1 HT3 MET 1 -1.830 -5.556 -24.287 625 HB2 MET 1 HB2 MET 1 1.462 -6.874 -25.470 626 HB3 MET 1 HB1 MET 1 0.112 -5.882 -25.997 627 HG2 MET 1 HG2 MET 1 0.728 -4.184 -24.334 628 HG3 MET 1 HG1 MET 1 2.099 -5.177 -23.848 629 HE1 MET 1 HE1 MET 1 3.776 -2.171 -25.735 630 HE2 MET 1 HE2 MET 1 3.702 -3.083 -24.227 631 HE3 MET 1 HE3 MET 1 2.324 -2.107 -24.736 632 H ALA 2 HN ALA 2 -0.255 -9.154 -23.166 633 HA ALA 2 HA ALA 2 2.179 -8.952 -21.589 634 HB1 ALA 2 HB1 ALA 2 -0.479 -9.565 -20.292 635 HB2 ALA 2 HB2 ALA 2 0.470 -8.097 -20.059 636 HB3 ALA 2 HB3 ALA 2 1.099 -9.650 -19.509 637 H GLN 3 HN GLN 3 3.267 -10.770 -21.956 638 HA GLN 3 HA GLN 3 1.776 -13.101 -22.921 639 HB2 GLN 3 HB2 GLN 3 3.597 -12.138 -24.318 640 HB3 GLN 3 HB1 GLN 3 4.744 -12.549 -23.050 641 HG2 GLN 3 HG2 GLN 3 4.288 -14.896 -23.344 642 HG3 GLN 3 HG1 GLN 3 3.035 -14.533 -24.530 643 HE21 GLN 3 HE21 GLN 3 6.446 -14.634 -23.908 644 HE22 GLN 3 HE22 GLN 3 6.960 -14.512 -25.557 645 H HIS 4 HN HIS 4 4.040 -12.107 -20.408 646 HA HIS 4 HA HIS 4 3.948 -14.834 -19.294 647 HD1 HIS 4 HD1 HIS 4 7.150 -13.495 -21.183 648 HD2 HIS 4 HD2 HIS 4 6.506 -16.407 -18.283 649 HE1 HIS 4 HE1 HIS 4 8.518 -15.480 -21.896 650 HE2 HIS 4 HE2 HIS 4 8.307 -17.126 -19.998 651 HB2 HIS 4 HB2 HIS 4 5.935 -12.623 -19.138 652 HB3 HIS 4 HB1 HIS 4 5.793 -13.697 -17.752 653 H SER 5 HN SER 5 1.982 -12.440 -19.047 654 HA SER 5 HA SER 5 1.974 -12.291 -16.118 655 HG SER 5 HG SER 5 0.792 -10.667 -15.269 656 HB2 SER 5 HB2 SER 5 1.931 -10.148 -17.463 657 HB3 SER 5 HB1 SER 5 0.320 -10.610 -18.009 658 H LYS 6 HN LYS 6 1.008 -14.129 -15.488 659 HA LYS 6 HA LYS 6 -1.827 -14.421 -16.206 660 HB2 LYS 6 HB2 LYS 6 0.296 -16.543 -16.164 661 HB3 LYS 6 HB1 LYS 6 -1.372 -16.962 -15.808 662 HG2 LYS 6 HG2 LYS 6 -0.394 -15.666 -18.346 663 HG3 LYS 6 HG1 LYS 6 -0.809 -17.370 -18.147 664 HD2 LYS 6 HD2 LYS 6 -3.109 -16.606 -17.443 665 HD3 LYS 6 HD1 LYS 6 -2.644 -14.988 -17.967 666 HE2 LYS 6 HE2 LYS 6 -2.711 -17.463 -19.692 667 HE3 LYS 6 HE1 LYS 6 -3.902 -16.164 -19.701 668 HZ1 LYS 6 HZ1 LYS 6 -2.376 -15.890 -21.515 669 HZ2 LYS 6 HZ2 LYS 6 -1.041 -15.941 -20.473 670 HZ3 LYS 6 HZ3 LYS 6 -2.126 -14.636 -20.400 671 H TYR 7 HN TYR 7 -0.003 -13.396 -13.943 672 HA TYR 7 HA TYR 7 -0.120 -13.158 -11.701 673 HD1 TYR 7 HD2 TYR 7 -3.149 -12.978 -13.995 674 HD2 TYR 7 HD1 TYR 7 -2.428 -11.643 -10.021 675 HE1 TYR 7 HE2 TYR 7 -4.058 -10.769 -14.577 676 HE2 TYR 7 HE1 TYR 7 -3.331 -9.432 -10.595 677 HH TYR 7 HH TYR 7 -3.764 -8.050 -12.427 678 HB2 TYR 7 HB2 TYR 7 -2.762 -14.573 -12.081 679 HB3 TYR 7 HB1 TYR 7 -2.218 -13.935 -10.534 680 H SER 8 HN SER 8 1.738 -14.529 -11.608 681 HA SER 8 HA SER 8 1.317 -17.265 -10.760 682 HG SER 8 HG SER 8 2.352 -17.288 -12.945 683 HB2 SER 8 HB2 SER 8 3.899 -15.743 -11.147 684 HB3 SER 8 HB1 SER 8 3.714 -17.489 -10.982 685 H ASP 9 HN ASP 9 0.935 -17.608 -8.673 686 HA ASP 9 HA ASP 9 1.381 -15.830 -6.575 687 HB2 ASP 9 HB2 ASP 9 -0.046 -17.778 -6.299 688 HB3 ASP 9 HB1 ASP 9 1.324 -18.855 -6.549 689 H ALA 10 HN ALA 10 3.521 -17.875 -8.307 690 HA ALA 10 HA ALA 10 5.609 -17.936 -6.319 691 HB1 ALA 10 HB1 ALA 10 5.709 -18.613 -9.259 692 HB2 ALA 10 HB2 ALA 10 5.381 -19.746 -7.949 693 HB3 ALA 10 HB3 ALA 10 6.961 -18.972 -8.071 694 H GLN 11 HN GLN 11 4.822 -16.080 -9.194 695 HA GLN 11 HA GLN 11 7.254 -14.565 -9.188 696 HB2 GLN 11 HB2 GLN 11 6.040 -14.816 -11.253 697 HB3 GLN 11 HB1 GLN 11 4.586 -14.138 -10.538 698 HG2 GLN 11 HG2 GLN 11 5.620 -11.969 -10.385 699 HG3 GLN 11 HG1 GLN 11 7.151 -12.624 -10.964 700 HE21 GLN 11 HE21 GLN 11 7.397 -13.089 -13.129 701 HE22 GLN 11 HE22 GLN 11 6.278 -12.554 -14.330 702 H LEU 12 HN LEU 12 3.950 -14.035 -8.050 703 HA LEU 12 HA LEU 12 4.286 -11.399 -7.155 704 HG LEU 12 HG LEU 12 2.560 -11.505 -4.619 705 HB2 LEU 12 HB2 LEU 12 2.096 -12.488 -7.438 706 HB3 LEU 12 HB1 LEU 12 2.443 -13.529 -6.070 707 HD11 LEU 12 HD11 LEU 12 1.632 -9.407 -5.469 708 HD12 LEU 12 HD12 LEU 12 1.539 -10.105 -7.086 709 HD13 LEU 12 HD13 LEU 12 3.108 -9.860 -6.321 710 HD21 LEU 12 HD21 LEU 12 0.533 -12.841 -4.724 711 HD22 LEU 12 HD22 LEU 12 -0.020 -11.919 -6.123 712 HD23 LEU 12 HD23 LEU 12 0.140 -11.129 -4.553 713 H SER 13 HN SER 13 4.504 -14.481 -5.350 714 HA SER 13 HA SER 13 5.113 -13.365 -2.869 715 HG SER 13 HG SER 13 5.188 -16.499 -4.828 716 HB2 SER 13 HB2 SER 13 6.158 -15.607 -2.361 717 HB3 SER 13 HB1 SER 13 4.505 -15.676 -2.970 718 H ALA 14 HN ALA 14 7.262 -14.297 -5.528 719 HA ALA 14 HA ALA 14 9.708 -13.865 -4.267 720 HB1 ALA 14 HB1 ALA 14 9.034 -13.365 -7.163 721 HB2 ALA 14 HB2 ALA 14 9.479 -14.922 -6.463 722 HB3 ALA 14 HB3 ALA 14 10.648 -13.602 -6.494 723 H ILE 15 HN ILE 15 7.538 -11.561 -5.858 724 HA ILE 15 HA ILE 15 9.308 -9.349 -5.699 725 HB ILE 15 HB ILE 15 6.291 -9.374 -5.901 726 HG12 ILE 15 HG12 ILE 15 8.402 -9.043 -8.048 727 HG13 ILE 15 HG11 ILE 15 7.485 -10.519 -7.759 728 HG21 ILE 15 HG21 ILE 15 8.256 -7.143 -6.418 729 HG22 ILE 15 HG22 ILE 15 7.122 -7.237 -5.070 730 HG23 ILE 15 HG23 ILE 15 6.519 -7.077 -6.720 731 HD11 ILE 15 HD11 ILE 15 6.342 -7.865 -8.603 732 HD12 ILE 15 HD12 ILE 15 5.420 -9.341 -8.312 733 HD13 ILE 15 HD13 ILE 15 6.583 -9.274 -9.636 734 H VAL 16 HN VAL 16 6.516 -10.304 -3.679 735 HA VAL 16 HA VAL 16 6.781 -8.050 -1.941 736 HB VAL 16 HB VAL 16 5.401 -10.499 -0.946 737 HG11 VAL 16 HG11 VAL 16 3.767 -8.903 -0.176 738 HG12 VAL 16 HG12 VAL 16 4.546 -7.613 -1.090 739 HG13 VAL 16 HG13 VAL 16 5.382 -8.355 0.279 740 HG21 VAL 16 HG21 VAL 16 4.833 -10.562 -3.310 741 HG22 VAL 16 HG22 VAL 16 4.338 -8.870 -3.251 742 HG23 VAL 16 HG23 VAL 16 3.437 -10.086 -2.346 743 H ASN 17 HN ASN 17 8.013 -11.356 -1.866 744 HA ASN 17 HA ASN 17 8.799 -11.327 0.871 745 HB2 ASN 17 HB2 ASN 17 8.480 -13.388 -0.557 746 HB3 ASN 17 HB1 ASN 17 10.006 -13.002 -1.339 747 HD21 ASN 17 HD21 ASN 17 9.046 -15.262 0.382 748 HD22 ASN 17 HD22 ASN 17 10.239 -15.399 1.632 749 H ASP 18 HN ASP 18 10.499 -10.624 -2.167 750 HA ASP 18 HA ASP 18 12.994 -10.028 -0.991 751 HB2 ASP 18 HB2 ASP 18 12.838 -10.495 -3.372 752 HB3 ASP 18 HB1 ASP 18 11.746 -9.136 -3.603 753 H MET 19 HN MET 19 10.172 -8.149 -1.898 754 HA MET 19 HA MET 19 10.884 -5.573 -1.345 755 HB2 MET 19 HB2 MET 19 8.679 -6.332 -2.174 756 HB3 MET 19 HB1 MET 19 8.295 -6.929 -0.570 757 HG2 MET 19 HG2 MET 19 7.188 -4.864 -0.851 758 HG3 MET 19 HG1 MET 19 8.522 -4.599 0.271 759 HE1 MET 19 HE1 MET 19 6.696 -2.586 -1.660 760 HE2 MET 19 HE2 MET 19 7.898 -1.341 -2.008 761 HE3 MET 19 HE3 MET 19 7.738 -1.982 -0.372 762 H ILE 20 HN ILE 20 9.658 -7.942 1.024 763 HA ILE 20 HA ILE 20 9.888 -6.272 3.280 764 HB ILE 20 HB ILE 20 10.014 -9.292 3.174 765 HG12 ILE 20 HG12 ILE 20 7.653 -7.457 3.645 766 HG13 ILE 20 HG11 ILE 20 7.975 -8.319 2.144 767 HG21 ILE 20 HG21 ILE 20 9.379 -7.440 5.470 768 HG22 ILE 20 HG22 ILE 20 10.844 -8.404 5.289 769 HG23 ILE 20 HG23 ILE 20 9.285 -9.201 5.509 770 HD11 ILE 20 HD11 ILE 20 7.730 -10.445 3.318 771 HD12 ILE 20 HD12 ILE 20 6.281 -9.448 3.460 772 HD13 ILE 20 HD13 ILE 20 7.401 -9.577 4.817 773 H ALA 21 HN ALA 21 12.124 -8.632 1.858 774 HA ALA 21 HA ALA 21 14.111 -8.479 3.848 775 HB1 ALA 21 HB1 ALA 21 14.017 -10.275 2.183 776 HB2 ALA 21 HB2 ALA 21 15.595 -9.488 2.201 777 HB3 ALA 21 HB3 ALA 21 14.442 -9.122 0.918 778 H VAL 22 HN VAL 22 13.560 -6.629 0.898 779 HA VAL 22 HA VAL 22 15.880 -5.058 0.911 780 HB VAL 22 HB VAL 22 13.113 -4.240 -0.005 781 HG11 VAL 22 HG11 VAL 22 14.292 -2.697 -1.491 782 HG12 VAL 22 HG12 VAL 22 15.828 -3.183 -0.772 783 HG13 VAL 22 HG13 VAL 22 14.622 -2.349 0.207 784 HG21 VAL 22 HG21 VAL 22 13.713 -6.283 -1.122 785 HG22 VAL 22 HG22 VAL 22 15.326 -5.658 -1.482 786 HG23 VAL 22 HG23 VAL 22 13.912 -4.944 -2.258 787 H LEU 23 HN LEU 23 12.740 -4.596 2.461 788 HA LEU 23 HA LEU 23 13.320 -2.036 3.536 789 HG LEU 23 HG LEU 23 10.883 -3.346 2.087 790 HB2 LEU 23 HB2 LEU 23 11.282 -4.085 4.395 791 HB3 LEU 23 HB1 LEU 23 11.320 -2.414 4.926 792 HD11 LEU 23 HD11 LEU 23 8.979 -3.811 3.526 793 HD12 LEU 23 HD12 LEU 23 8.615 -2.497 2.407 794 HD13 LEU 23 HD13 LEU 23 8.987 -2.141 4.094 795 HD21 LEU 23 HD21 LEU 23 12.052 -1.211 2.173 796 HD22 LEU 23 HD22 LEU 23 10.835 -0.577 3.281 797 HD23 LEU 23 HD23 LEU 23 10.388 -0.993 1.626 798 H GLU 24 HN GLU 24 13.947 -5.279 4.612 799 HA GLU 24 HA GLU 24 14.672 -4.530 7.287 800 HB2 GLU 24 HB2 GLU 24 15.039 -7.028 5.647 801 HB3 GLU 24 HB1 GLU 24 15.718 -6.867 7.261 802 HG2 GLU 24 HG2 GLU 24 12.822 -6.318 6.830 803 HG3 GLU 24 HG1 GLU 24 13.393 -7.984 6.905 804 H LYS 25 HN LYS 25 16.323 -4.927 4.219 805 HA LYS 25 HA LYS 25 18.979 -4.743 5.151 806 HB2 LYS 25 HB2 LYS 25 17.747 -3.933 2.513 807 HB3 LYS 25 HB1 LYS 25 19.475 -3.910 2.823 808 HG2 LYS 25 HG2 LYS 25 19.486 -6.302 3.161 809 HG3 LYS 25 HG1 LYS 25 17.731 -6.360 2.980 810 HD2 LYS 25 HD2 LYS 25 17.918 -5.593 0.682 811 HD3 LYS 25 HD1 LYS 25 19.666 -5.436 0.855 812 HE2 LYS 25 HE2 LYS 25 19.856 -7.841 1.217 813 HE3 LYS 25 HE1 LYS 25 18.105 -8.007 1.088 814 HZ1 LYS 25 HZ1 LYS 25 19.334 -8.569 -0.974 815 HZ2 LYS 25 HZ2 LYS 25 19.828 -6.949 -1.090 816 HZ3 LYS 25 HZ3 LYS 25 18.183 -7.345 -1.186 817 H HIS 26 HN HIS 26 16.615 -2.298 4.208 818 HA HIS 26 HA HIS 26 18.420 -0.112 4.833 819 HD1 HIS 26 HD1 HIS 26 16.796 2.276 5.987 820 HD2 HIS 26 HD2 HIS 26 16.874 2.241 1.832 821 HE1 HIS 26 HE1 HIS 26 17.248 4.652 5.300 822 HE2 HIS 26 HE2 HIS 26 17.559 4.535 2.805 823 HB2 HIS 26 HB2 HIS 26 16.546 -0.136 3.037 824 HB3 HIS 26 HB1 HIS 26 15.450 0.140 4.383 825 H LYS 27 HN LYS 27 16.185 -2.102 6.397 826 HA LYS 27 HA LYS 27 15.209 -2.219 8.416 827 HB2 LYS 27 HB2 LYS 27 17.725 -1.615 8.998 828 HB3 LYS 27 HB1 LYS 27 16.986 -0.127 9.578 829 HG2 LYS 27 HG2 LYS 27 17.076 -1.520 11.452 830 HG3 LYS 27 HG1 LYS 27 15.401 -1.619 10.900 831 HD2 LYS 27 HD2 LYS 27 16.087 -3.692 9.618 832 HD3 LYS 27 HD1 LYS 27 17.607 -3.633 10.510 833 HE2 LYS 27 HE2 LYS 27 16.343 -5.082 11.791 834 HE3 LYS 27 HE1 LYS 27 16.081 -3.539 12.604 835 HZ1 LYS 27 HZ1 LYS 27 14.239 -4.852 10.673 836 HZ2 LYS 27 HZ2 LYS 27 13.993 -3.315 11.348 837 HZ3 LYS 27 HZ3 LYS 27 13.999 -4.685 12.345 838 H ALA 28 HN ALA 28 13.352 -1.238 7.467 839 HA ALA 28 HA ALA 28 12.869 1.557 8.206 840 HB1 ALA 28 HB1 ALA 28 10.850 1.367 6.841 841 HB2 ALA 28 HB2 ALA 28 11.175 -0.346 6.583 842 HB3 ALA 28 HB3 ALA 28 12.273 0.869 5.929 843 HA PRO 29 HA PRO 29 11.049 -0.065 11.917 844 HB2 PRO 29 HB2 PRO 29 10.342 2.274 13.047 845 HB3 PRO 29 HB1 PRO 29 12.031 1.772 12.902 846 HG2 PRO 29 HG2 PRO 29 10.462 3.658 11.182 847 HG3 PRO 29 HG1 PRO 29 12.107 3.835 11.821 848 HD2 PRO 29 HD2 PRO 29 11.584 3.028 9.277 849 HD3 PRO 29 HD1 PRO 29 13.020 2.508 10.180 850 H VAL 30 HN VAL 30 9.333 0.063 9.504 851 HA VAL 30 HA VAL 30 7.166 -0.313 8.971 852 HB VAL 30 HB VAL 30 6.629 -0.064 11.936 853 HG11 VAL 30 HG11 VAL 30 4.537 -1.256 11.452 854 HG12 VAL 30 HG12 VAL 30 4.896 -1.172 9.727 855 HG13 VAL 30 HG13 VAL 30 4.602 0.309 10.638 856 HG21 VAL 30 HG21 VAL 30 8.165 -1.882 11.406 857 HG22 VAL 30 HG22 VAL 30 7.036 -2.499 10.200 858 HG23 VAL 30 HG23 VAL 30 6.598 -2.514 11.909 859 H ASP 31 HN ASP 31 7.353 2.197 11.461 860 HA ASP 31 HA ASP 31 5.069 3.640 10.807 861 HB2 ASP 31 HB2 ASP 31 6.517 3.890 12.846 862 HB3 ASP 31 HB1 ASP 31 7.663 4.785 11.856 863 H LEU 32 HN LEU 32 8.372 4.716 10.014 864 HA LEU 32 HA LEU 32 7.637 6.540 8.034 865 HG LEU 32 HG LEU 32 11.110 7.362 9.001 866 HB2 LEU 32 HB2 LEU 32 10.204 5.093 8.610 867 HB3 LEU 32 HB1 LEU 32 10.066 6.149 7.221 868 HD11 LEU 32 HD11 LEU 32 9.583 8.628 7.609 869 HD12 LEU 32 HD12 LEU 32 9.575 9.244 9.262 870 HD13 LEU 32 HD13 LEU 32 8.246 8.236 8.689 871 HD21 LEU 32 HD21 LEU 32 10.351 6.046 10.895 872 HD22 LEU 32 HD22 LEU 32 8.712 6.662 10.687 873 HD23 LEU 32 HD23 LEU 32 10.014 7.757 11.153 874 H SER 33 HN SER 33 7.998 3.095 7.888 875 HA SER 33 HA SER 33 8.378 2.869 5.082 876 HG SER 33 HG SER 33 8.688 -0.235 5.078 877 HB2 SER 33 HB2 SER 33 8.911 1.051 6.708 878 HB3 SER 33 HB1 SER 33 7.184 0.828 6.979 879 H LEU 34 HN LEU 34 5.534 2.816 7.192 880 HA LEU 34 HA LEU 34 3.621 2.316 5.183 881 HG LEU 34 HG LEU 34 3.946 1.404 8.120 882 HB2 LEU 34 HB2 LEU 34 3.351 3.772 7.814 883 HB3 LEU 34 HB1 LEU 34 2.001 3.300 6.800 884 HD11 LEU 34 HD11 LEU 34 2.457 2.480 9.720 885 HD12 LEU 34 HD12 LEU 34 2.038 0.779 9.513 886 HD13 LEU 34 HD13 LEU 34 1.063 2.028 8.739 887 HD21 LEU 34 HD21 LEU 34 1.451 0.857 6.515 888 HD22 LEU 34 HD22 LEU 34 2.432 -0.350 7.348 889 HD23 LEU 34 HD23 LEU 34 3.107 0.551 5.990 890 H ILE 35 HN ILE 35 5.031 5.298 6.447 891 HA ILE 35 HA ILE 35 3.432 7.062 4.914 892 HB ILE 35 HB ILE 35 6.257 7.529 5.886 893 HG12 ILE 35 HG12 ILE 35 3.609 8.128 7.229 894 HG13 ILE 35 HG11 ILE 35 4.725 6.853 7.704 895 HG21 ILE 35 HG21 ILE 35 5.545 9.149 4.214 896 HG22 ILE 35 HG22 ILE 35 5.626 9.904 5.806 897 HG23 ILE 35 HG23 ILE 35 4.063 9.457 5.121 898 HD11 ILE 35 HD11 ILE 35 5.301 9.803 7.773 899 HD12 ILE 35 HD12 ILE 35 6.398 8.519 8.279 900 HD13 ILE 35 HD13 ILE 35 4.894 8.793 9.159 901 H ALA 36 HN ALA 36 6.502 5.435 4.258 902 HA ALA 36 HA ALA 36 7.088 6.671 1.814 903 HB1 ALA 36 HB1 ALA 36 7.812 3.893 2.740 904 HB2 ALA 36 HB2 ALA 36 8.719 5.366 3.088 905 HB3 ALA 36 HB3 ALA 36 8.583 4.788 1.428 906 H LEU 37 HN LEU 37 5.385 3.605 2.520 907 HA LEU 37 HA LEU 37 4.833 3.098 -0.221 908 HG LEU 37 HG LEU 37 3.667 2.567 3.267 909 HB2 LEU 37 HB2 LEU 37 3.341 1.334 0.559 910 HB3 LEU 37 HB1 LEU 37 4.899 1.267 1.349 911 HD11 LEU 37 HD11 LEU 37 1.320 1.927 3.480 912 HD12 LEU 37 HD12 LEU 37 1.370 1.190 1.878 913 HD13 LEU 37 HD13 LEU 37 1.582 2.932 2.055 914 HD21 LEU 37 HD21 LEU 37 4.647 0.348 3.463 915 HD22 LEU 37 HD22 LEU 37 3.217 -0.362 2.714 916 HD23 LEU 37 HD23 LEU 37 3.090 0.425 4.288 917 H GLY 38 HN GLY 38 3.235 4.947 2.248 918 HA2 GLY 38 HA2 GLY 38 0.757 5.324 0.934 919 HA3 GLY 38 HA1 GLY 38 1.478 6.423 2.104 920 H ASN 39 HN ASN 39 3.743 7.265 0.918 921 HA ASN 39 HA ASN 39 2.968 9.127 -1.034 922 HB2 ASN 39 HB2 ASN 39 4.966 9.372 0.392 923 HB3 ASN 39 HB1 ASN 39 5.727 8.021 -0.438 924 HD21 ASN 39 HD21 ASN 39 7.461 9.286 -1.052 925 HD22 ASN 39 HD22 ASN 39 7.347 10.476 -2.301 926 H MET 40 HN MET 40 4.526 5.970 -1.300 927 HA MET 40 HA MET 40 4.913 5.892 -4.072 928 HB2 MET 40 HB2 MET 40 5.918 4.264 -2.551 929 HB3 MET 40 HB1 MET 40 4.328 3.633 -2.145 930 HG2 MET 40 HG2 MET 40 5.370 2.134 -3.675 931 HG3 MET 40 HG1 MET 40 4.048 2.948 -4.508 932 HE1 MET 40 HE1 MET 40 7.910 2.615 -4.079 933 HE2 MET 40 HE2 MET 40 7.651 4.302 -3.635 934 HE3 MET 40 HE3 MET 40 8.517 3.905 -5.118 935 H ALA 41 HN ALA 41 2.198 4.649 -2.129 936 HA ALA 41 HA ALA 41 0.643 3.614 -4.180 937 HB1 ALA 41 HB1 ALA 41 0.190 3.233 -1.799 938 HB2 ALA 41 HB2 ALA 41 -1.247 3.791 -2.655 939 HB3 ALA 41 HB3 ALA 41 -0.342 4.908 -1.636 940 H SER 42 HN SER 42 0.630 6.884 -2.818 941 HA SER 42 HA SER 42 -1.488 7.945 -4.269 942 HG SER 42 HG SER 42 0.106 8.408 -1.612 943 HB2 SER 42 HB2 SER 42 1.033 9.379 -3.397 944 HB3 SER 42 HB1 SER 42 -0.516 10.133 -3.778 945 H ASN 43 HN ASN 43 1.995 8.094 -5.058 946 HA ASN 43 HA ASN 43 1.708 9.389 -7.518 947 HB2 ASN 43 HB2 ASN 43 3.861 7.583 -6.443 948 HB3 ASN 43 HB1 ASN 43 3.954 8.262 -8.065 949 HD21 ASN 43 HD21 ASN 43 5.710 8.707 -5.836 950 HD22 ASN 43 HD22 ASN 43 5.683 10.405 -5.506 951 H LEU 44 HN LEU 44 1.928 5.899 -6.823 952 HA LEU 44 HA LEU 44 1.837 5.052 -9.495 953 HG LEU 44 HG LEU 44 3.254 4.031 -6.845 954 HB2 LEU 44 HB2 LEU 44 0.881 3.638 -7.007 955 HB3 LEU 44 HB1 LEU 44 1.074 2.874 -8.575 956 HD11 LEU 44 HD11 LEU 44 2.694 1.220 -7.774 957 HD12 LEU 44 HD12 LEU 44 2.429 1.846 -6.147 958 HD13 LEU 44 HD13 LEU 44 4.066 1.734 -6.793 959 HD21 LEU 44 HD21 LEU 44 4.809 3.321 -8.578 960 HD22 LEU 44 HD22 LEU 44 3.675 4.521 -9.207 961 HD23 LEU 44 HD23 LEU 44 3.461 2.814 -9.596 962 H LEU 45 HN LEU 45 -0.762 5.645 -7.175 963 HA LEU 45 HA LEU 45 -2.816 4.710 -8.915 964 HG LEU 45 HG LEU 45 -2.285 4.022 -6.023 965 HB2 LEU 45 HB2 LEU 45 -2.905 6.383 -6.410 966 HB3 LEU 45 HB1 LEU 45 -4.340 5.854 -7.267 967 HD11 LEU 45 HD11 LEU 45 -4.042 3.533 -4.389 968 HD12 LEU 45 HD12 LEU 45 -5.065 4.766 -5.125 969 HD13 LEU 45 HD13 LEU 45 -3.556 5.225 -4.338 970 HD21 LEU 45 HD21 LEU 45 -4.950 3.428 -7.309 971 HD22 LEU 45 HD22 LEU 45 -3.915 2.258 -6.489 972 HD23 LEU 45 HD23 LEU 45 -3.365 3.034 -7.975 973 H THR 46 HN THR 46 -1.062 7.651 -8.798 974 HA THR 46 HA THR 46 -3.199 8.925 -10.379 975 HB THR 46 HB THR 46 -1.894 11.065 -9.960 976 HG1 THR 46 HG1 THR 46 -0.745 9.527 -7.851 977 HG21 THR 46 HG21 THR 46 -3.983 10.530 -8.811 978 HG22 THR 46 HG22 THR 46 -2.864 11.352 -7.727 979 HG23 THR 46 HG23 THR 46 -3.092 9.610 -7.599 980 H THR 47 HN THR 47 -0.452 7.215 -10.938 981 HA THR 47 HA THR 47 0.119 8.772 -13.375 982 HB THR 47 HB THR 47 2.462 7.984 -13.271 983 HG1 THR 47 HG1 THR 47 1.986 7.231 -10.582 984 HG21 THR 47 HG21 THR 47 3.195 9.440 -11.420 985 HG22 THR 47 HG22 THR 47 1.537 9.498 -10.824 986 HG23 THR 47 HG23 THR 47 1.932 10.196 -12.395 987 H SER 48 HN SER 48 -0.433 5.602 -12.005 988 HA SER 48 HA SER 48 0.330 4.387 -14.572 989 HG SER 48 HG SER 48 1.846 4.568 -12.088 990 HB2 SER 48 HB2 SER 48 0.071 3.070 -11.865 991 HB3 SER 48 HB1 SER 48 0.660 2.308 -13.345 992 H VAL 49 HN VAL 49 -2.216 4.308 -12.091 993 HA VAL 49 HA VAL 49 -3.890 2.693 -13.849 994 HB VAL 49 HB VAL 49 -5.481 2.605 -12.015 995 HG11 VAL 49 HG11 VAL 49 -4.110 1.463 -10.333 996 HG12 VAL 49 HG12 VAL 49 -2.658 2.143 -11.066 997 HG13 VAL 49 HG13 VAL 49 -3.655 1.007 -11.974 998 HG21 VAL 49 HG21 VAL 49 -3.621 4.481 -10.562 999 HG22 VAL 49 HG22 VAL 49 -5.036 3.690 -9.866 1000 HG23 VAL 49 HG23 VAL 49 -5.232 4.870 -11.164 1001 HA PRO 50 HA PRO 50 -6.483 5.975 -15.382 1002 HB2 PRO 50 HB2 PRO 50 -9.010 5.455 -14.411 1003 HB3 PRO 50 HB1 PRO 50 -8.299 4.662 -15.821 1004 HG2 PRO 50 HG2 PRO 50 -8.496 3.697 -12.998 1005 HG3 PRO 50 HG1 PRO 50 -8.731 2.800 -14.511 1006 HD2 PRO 50 HD2 PRO 50 -6.456 2.592 -13.100 1007 HD3 PRO 50 HD1 PRO 50 -6.449 2.571 -14.876 1008 H GLN 51 HN GLN 51 -5.748 7.779 -14.386 1009 HA GLN 51 HA GLN 51 -6.069 8.380 -11.657 1010 HB2 GLN 51 HB2 GLN 51 -5.204 10.579 -12.186 1011 HB3 GLN 51 HB1 GLN 51 -4.293 9.362 -13.059 1012 HG2 GLN 51 HG2 GLN 51 -6.458 11.104 -14.226 1013 HG3 GLN 51 HG1 GLN 51 -4.725 11.355 -14.409 1014 HE21 GLN 51 HE21 GLN 51 -3.537 9.915 -15.711 1015 HE22 GLN 51 HE22 GLN 51 -4.315 8.915 -16.893 1016 H THR 52 HN THR 52 -8.048 9.029 -14.452 1017 HA THR 52 HA THR 52 -9.756 10.919 -13.154 1018 HB THR 52 HB THR 52 -9.498 10.857 -15.609 1019 HG1 THR 52 HG1 THR 52 -12.046 10.570 -14.420 1020 HG21 THR 52 HG21 THR 52 -9.345 8.447 -15.937 1021 HG22 THR 52 HG22 THR 52 -10.644 9.124 -16.920 1022 HG23 THR 52 HG23 THR 52 -11.025 8.258 -15.432 1023 H GLN 53 HN GLN 53 -9.402 7.585 -12.874 1024 HA GLN 53 HA GLN 53 -12.129 7.317 -11.782 1025 HB2 GLN 53 HB2 GLN 53 -11.622 6.030 -13.938 1026 HB3 GLN 53 HB1 GLN 53 -10.524 5.052 -12.973 1027 HG2 GLN 53 HG2 GLN 53 -12.593 3.892 -13.152 1028 HG3 GLN 53 HG1 GLN 53 -12.438 4.475 -11.496 1029 HE21 GLN 53 HE21 GLN 53 -14.149 4.733 -14.474 1030 HE22 GLN 53 HE22 GLN 53 -15.425 5.764 -13.901 1031 H CYS 54 HN CYS 54 -9.222 7.874 -10.803 1032 HA CYS 54 HA CYS 54 -8.252 5.688 -9.380 1033 HG CYS 54 HG CYS 54 -5.145 7.025 -8.304 1034 HB2 CYS 54 HB2 CYS 54 -6.988 7.771 -9.890 1035 HB3 CYS 54 HB1 CYS 54 -7.931 8.607 -8.661 1036 H GLU 55 HN GLU 55 -10.499 8.223 -8.398 1037 HA GLU 55 HA GLU 55 -10.701 7.672 -5.688 1038 HB2 GLU 55 HB2 GLU 55 -12.884 8.584 -7.568 1039 HB3 GLU 55 HB1 GLU 55 -12.941 8.696 -5.816 1040 HG2 GLU 55 HG2 GLU 55 -11.001 10.198 -5.862 1041 HG3 GLU 55 HG1 GLU 55 -10.995 10.110 -7.623 1042 H ALA 56 HN ALA 56 -12.510 6.256 -8.395 1043 HA ALA 56 HA ALA 56 -14.226 4.667 -6.824 1044 HB1 ALA 56 HB1 ALA 56 -13.340 4.222 -9.672 1045 HB2 ALA 56 HB2 ALA 56 -14.697 5.225 -9.159 1046 HB3 ALA 56 HB3 ALA 56 -14.736 3.482 -8.889 1047 H LEU 57 HN LEU 57 -11.147 3.929 -8.441 1048 HA LEU 57 HA LEU 57 -11.112 1.190 -7.770 1049 HG LEU 57 HG LEU 57 -8.635 1.517 -10.465 1050 HB2 LEU 57 HB2 LEU 57 -9.039 3.146 -8.661 1051 HB3 LEU 57 HB1 LEU 57 -8.526 1.583 -8.060 1052 HD11 LEU 57 HD11 LEU 57 -9.256 -0.512 -9.281 1053 HD12 LEU 57 HD12 LEU 57 -10.162 -0.358 -10.786 1054 HD13 LEU 57 HD13 LEU 57 -10.940 0.009 -9.246 1055 HD21 LEU 57 HD21 LEU 57 -10.224 3.318 -10.847 1056 HD22 LEU 57 HD22 LEU 57 -11.524 2.330 -10.179 1057 HD23 LEU 57 HD23 LEU 57 -10.734 1.849 -11.680 1058 H ALA 58 HN ALA 58 -9.597 3.997 -6.194 1059 HA ALA 58 HA ALA 58 -8.341 2.502 -4.145 1060 HB1 ALA 58 HB1 ALA 58 -7.636 4.764 -4.763 1061 HB2 ALA 58 HB2 ALA 58 -7.992 4.641 -3.040 1062 HB3 ALA 58 HB3 ALA 58 -9.150 5.407 -4.128 1063 H GLN 59 HN GLN 59 -11.499 4.045 -4.391 1064 HA GLN 59 HA GLN 59 -12.253 3.665 -1.682 1065 HB2 GLN 59 HB2 GLN 59 -13.359 5.265 -3.218 1066 HB3 GLN 59 HB1 GLN 59 -14.018 3.912 -4.126 1067 HG2 GLN 59 HG2 GLN 59 -15.224 3.189 -2.098 1068 HG3 GLN 59 HG1 GLN 59 -14.624 4.624 -1.269 1069 HE21 GLN 59 HE21 GLN 59 -15.519 4.632 -4.630 1070 HE22 GLN 59 HE22 GLN 59 -16.940 5.605 -4.459 1071 H ALA 60 HN ALA 60 -12.423 1.666 -4.550 1072 HA ALA 60 HA ALA 60 -14.126 -0.327 -3.418 1073 HB1 ALA 60 HB1 ALA 60 -13.922 -0.022 -5.840 1074 HB2 ALA 60 HB2 ALA 60 -13.521 -1.672 -5.358 1075 HB3 ALA 60 HB3 ALA 60 -12.235 -0.532 -5.761 1076 H PHE 61 HN PHE 61 -10.617 -0.044 -3.907 1077 HA PHE 61 HA PHE 61 -9.894 -2.559 -2.912 1078 HD1 PHE 61 HD1 PHE 61 -7.529 -3.171 -4.424 1079 HD2 PHE 61 HD2 PHE 61 -6.774 -0.903 -0.897 1080 HE1 PHE 61 HE1 PHE 61 -5.680 -4.684 -3.847 1081 HE2 PHE 61 HE2 PHE 61 -4.926 -2.414 -0.320 1082 HZ PHE 61 HZ PHE 61 -4.375 -4.306 -1.794 1083 HB2 PHE 61 HB2 PHE 61 -8.413 -0.893 -4.143 1084 HB3 PHE 61 HB1 PHE 61 -8.232 -0.054 -2.607 1085 H SER 62 HN SER 62 -10.263 0.547 -1.244 1086 HA SER 62 HA SER 62 -9.369 -0.325 1.269 1087 HG SER 62 HG SER 62 -10.836 2.459 -0.597 1088 HB2 SER 62 HB2 SER 62 -10.749 1.688 2.084 1089 HB3 SER 62 HB1 SER 62 -9.433 1.997 0.950 1090 H ASN 63 HN ASN 63 -12.736 0.157 0.147 1091 HA ASN 63 HA ASN 63 -13.945 -0.840 2.458 1092 HB2 ASN 63 HB2 ASN 63 -14.903 -0.533 -0.364 1093 HB3 ASN 63 HB1 ASN 63 -15.908 -1.361 0.819 1094 HD21 ASN 63 HD21 ASN 63 -14.544 1.669 -0.167 1095 HD22 ASN 63 HD22 ASN 63 -15.481 2.668 0.898 1096 H SER 64 HN SER 64 -12.978 -2.566 -0.499 1097 HA SER 64 HA SER 64 -13.989 -5.079 0.326 1098 HG SER 64 HG SER 64 -14.201 -3.897 -1.885 1099 HB2 SER 64 HB2 SER 64 -11.737 -4.409 -1.583 1100 HB3 SER 64 HB1 SER 64 -12.441 -6.014 -1.390 1101 H LEU 65 HN LEU 65 -10.953 -3.403 0.883 1102 HA LEU 65 HA LEU 65 -9.533 -5.533 2.067 1103 HG LEU 65 HG LEU 65 -7.955 -3.977 4.184 1104 HB2 LEU 65 HB2 LEU 65 -8.532 -3.398 1.278 1105 HB3 LEU 65 HB1 LEU 65 -9.291 -2.574 2.626 1106 HD11 LEU 65 HD11 LEU 65 -7.581 -5.890 2.732 1107 HD12 LEU 65 HD12 LEU 65 -6.046 -5.223 3.288 1108 HD13 LEU 65 HD13 LEU 65 -6.607 -4.895 1.648 1109 HD21 LEU 65 HD21 LEU 65 -6.383 -2.385 2.161 1110 HD22 LEU 65 HD22 LEU 65 -5.836 -2.815 3.782 1111 HD23 LEU 65 HD23 LEU 65 -7.217 -1.739 3.574 1112 H ILE 66 HN ILE 66 -11.738 -3.102 3.370 1113 HA ILE 66 HA ILE 66 -11.451 -3.665 6.100 1114 HB ILE 66 HB ILE 66 -14.060 -2.898 4.779 1115 HG12 ILE 66 HG12 ILE 66 -12.358 -1.375 3.954 1116 HG13 ILE 66 HG11 ILE 66 -13.376 -0.542 5.122 1117 HG21 ILE 66 HG21 ILE 66 -14.254 -3.479 7.121 1118 HG22 ILE 66 HG22 ILE 66 -14.484 -1.744 6.906 1119 HG23 ILE 66 HG23 ILE 66 -12.955 -2.360 7.531 1120 HD11 ILE 66 HD11 ILE 66 -11.652 -0.802 6.818 1121 HD12 ILE 66 HD12 ILE 66 -11.037 0.040 5.393 1122 HD13 ILE 66 HD13 ILE 66 -10.635 -1.657 5.658 1123 H ASN 67 HN ASN 67 -13.536 -5.103 3.632 1124 HA ASN 67 HA ASN 67 -14.870 -6.921 5.338 1125 HB2 ASN 67 HB2 ASN 67 -15.707 -6.355 3.091 1126 HB3 ASN 67 HB1 ASN 67 -14.317 -7.158 2.369 1127 HD21 ASN 67 HD21 ASN 67 -14.273 -9.381 2.251 1128 HD22 ASN 67 HD22 ASN 67 -15.635 -10.372 2.641 1129 H ALA 68 HN ALA 68 -11.863 -7.085 3.522 1130 HA ALA 68 HA ALA 68 -11.308 -9.816 3.921 1131 HB1 ALA 68 HB1 ALA 68 -10.111 -8.442 2.287 1132 HB2 ALA 68 HB2 ALA 68 -8.997 -9.251 3.391 1133 HB3 ALA 68 HB3 ALA 68 -9.358 -7.537 3.600 1134 H VAL 69 HN VAL 69 -10.474 -6.938 5.828 1135 HA VAL 69 HA VAL 69 -9.016 -8.167 7.856 1136 HB VAL 69 HB VAL 69 -10.901 -5.814 8.110 1137 HG11 VAL 69 HG11 VAL 69 -8.646 -6.701 9.907 1138 HG12 VAL 69 HG12 VAL 69 -10.368 -6.769 10.285 1139 HG13 VAL 69 HG13 VAL 69 -9.573 -5.210 10.077 1140 HG21 VAL 69 HG21 VAL 69 -8.872 -4.451 7.854 1141 HG22 VAL 69 HG22 VAL 69 -9.190 -5.437 6.425 1142 HG23 VAL 69 HG23 VAL 69 -7.935 -5.919 7.567 1143 H LYS 70 HN LYS 70 -12.530 -7.589 7.657 1144 HA LYS 70 HA LYS 70 -13.193 -8.868 10.064 1145 HB2 LYS 70 HB2 LYS 70 -14.787 -8.434 7.543 1146 HB3 LYS 70 HB1 LYS 70 -15.469 -9.181 8.982 1147 HG2 LYS 70 HG2 LYS 70 -14.866 -7.138 10.256 1148 HG3 LYS 70 HG1 LYS 70 -14.359 -6.396 8.738 1149 HD2 LYS 70 HD2 LYS 70 -16.608 -6.638 7.848 1150 HD3 LYS 70 HD1 LYS 70 -17.124 -7.446 9.328 1151 HE2 LYS 70 HE2 LYS 70 -17.814 -5.116 9.342 1152 HE3 LYS 70 HE1 LYS 70 -16.621 -5.418 10.605 1153 HZ1 LYS 70 HZ1 LYS 70 -16.169 -3.358 9.429 1154 HZ2 LYS 70 HZ2 LYS 70 -16.062 -4.191 7.957 1155 HZ3 LYS 70 HZ3 LYS 70 -14.913 -4.472 9.179 1156 H THR 71 HN THR 71 -12.591 -10.152 6.857 1157 HA THR 71 HA THR 71 -13.548 -12.787 7.438 1158 HB THR 71 HB THR 71 -11.612 -11.961 5.261 1159 HG1 THR 71 HG1 THR 71 -13.606 -10.733 5.253 1160 HG21 THR 71 HG21 THR 71 -13.560 -14.268 5.434 1161 HG22 THR 71 HG22 THR 71 -11.805 -14.387 5.578 1162 HG23 THR 71 HG23 THR 71 -12.533 -13.884 4.053 1163 H ARG 72 HN ARG 72 -10.712 -11.063 8.199 1164 HA ARG 72 HA ARG 72 -9.078 -13.424 8.641 1165 HE ARG 72 HE ARG 72 -4.592 -11.961 10.453 1166 HB2 ARG 72 HB2 ARG 72 -8.200 -11.167 7.860 1167 HB3 ARG 72 HB1 ARG 72 -8.520 -10.570 9.476 1168 HG2 ARG 72 HG2 ARG 72 -6.771 -12.960 9.106 1169 HG3 ARG 72 HG1 ARG 72 -6.134 -11.347 8.800 1170 HD2 ARG 72 HD2 ARG 72 -6.990 -10.740 11.119 1171 HD3 ARG 72 HD1 ARG 72 -7.213 -12.471 11.372 1172 HH11 ARG 72 HH11 ARG 72 -6.594 -11.699 13.322 1173 HH12 ARG 72 HH12 ARG 72 -5.237 -11.677 14.408 1174 HH21 ARG 72 HH21 ARG 72 -2.808 -11.954 11.909 1175 HH22 ARG 72 HH22 ARG 72 -3.108 -11.827 13.615 1176 H LEU 73 HN LEU 73 -11.217 -11.322 10.364 1177 HA LEU 73 HA LEU 73 -10.418 -12.340 12.974 1178 HG LEU 73 HG LEU 73 -11.208 -8.794 13.700 1179 HB2 LEU 73 HB2 LEU 73 -12.243 -10.183 12.011 1180 HB3 LEU 73 HB1 LEU 73 -12.520 -10.859 13.602 1181 HD11 LEU 73 HD11 LEU 73 -10.896 -10.461 15.433 1182 HD12 LEU 73 HD12 LEU 73 -9.383 -9.617 15.099 1183 HD13 LEU 73 HD13 LEU 73 -9.641 -11.247 14.475 1184 HD21 LEU 73 HD21 LEU 73 -10.070 -8.944 11.550 1185 HD22 LEU 73 HD22 LEU 73 -9.132 -10.319 12.131 1186 HD23 LEU 73 HD23 LEU 73 -8.913 -8.729 12.864 1187 H GLU 74 HN GLU 74 -12.954 -12.711 10.618 1188 HA GLU 74 HA GLU 74 -14.503 -14.414 12.425 1189 HB2 GLU 74 HB2 GLU 74 -15.611 -12.596 11.081 1190 HB3 GLU 74 HB1 GLU 74 -15.198 -13.495 9.630 1191 HG2 GLU 74 HG2 GLU 74 -16.639 -15.278 10.214 1192 HG3 GLU 74 HG1 GLU 74 -16.861 -14.651 11.847 1193 H HIS 75 HN HIS 75 -14.861 -16.567 12.016 1194 HA HIS 75 HA HIS 75 -12.785 -17.874 10.530 1195 HD1 HIS 75 HD1 HIS 75 -11.360 -18.879 12.295 1196 HD2 HIS 75 HD2 HIS 75 -14.790 -18.658 14.642 1197 HE1 HIS 75 HE1 HIS 75 -10.552 -18.544 14.652 1198 HE2 HIS 75 HE2 HIS 75 -12.642 -18.207 16.017 1199 HB2 HIS 75 HB2 HIS 75 -15.165 -19.026 11.999 1200 HB3 HIS 75 HB1 HIS 75 -13.840 -19.971 11.327 1201 H HIS 76 HN HIS 76 -12.819 -18.260 8.468 1202 HA HIS 76 HA HIS 76 -15.182 -17.932 6.901 1203 HD1 HIS 76 HD1 HIS 76 -10.846 -17.915 7.279 1204 HD2 HIS 76 HD2 HIS 76 -12.377 -20.894 4.810 1205 HE1 HIS 76 HE1 HIS 76 -9.019 -19.626 7.064 1206 HE2 HIS 76 HE2 HIS 76 -10.057 -21.519 5.768 1207 HB2 HIS 76 HB2 HIS 76 -13.745 -18.455 4.977 1208 HB3 HIS 76 HB1 HIS 76 -13.012 -17.246 6.021 1209 H HIS 77 HN HIS 77 -16.319 -19.424 5.732 1210 HA HIS 77 HA HIS 77 -15.777 -22.252 6.162 1211 HD1 HIS 77 HD1 HIS 77 -20.507 -21.701 6.875 1212 HD2 HIS 77 HD2 HIS 77 -17.611 -18.755 7.357 1213 HE1 HIS 77 HE1 HIS 77 -21.767 -19.535 7.082 1214 HE2 HIS 77 HE2 HIS 77 -20.002 -17.794 7.557 1215 HB2 HIS 77 HB2 HIS 77 -18.221 -22.629 6.717 1216 HB3 HIS 77 HB1 HIS 77 -17.272 -21.859 7.978 1217 H HIS 78 HN HIS 78 -16.362 -23.524 4.456 1218 HA HIS 78 HA HIS 78 -17.437 -22.046 2.138 1219 HD1 HIS 78 HD1 HIS 78 -15.009 -25.356 0.161 1220 HD2 HIS 78 HD2 HIS 78 -16.586 -21.572 -0.567 1221 HE1 HIS 78 HE1 HIS 78 -15.359 -25.229 -2.331 1222 HE2 HIS 78 HE2 HIS 78 -16.387 -22.965 -2.743 1223 HB2 HIS 78 HB2 HIS 78 -15.024 -22.293 1.939 1224 HB3 HIS 78 HB1 HIS 78 -15.150 -24.025 2.216 1225 H HIS 79 HN HIS 79 -16.876 -25.304 3.466 1226 HA HIS 79 HA HIS 79 -18.745 -26.445 1.571 1227 HD1 HIS 79 HD1 HIS 79 -18.066 -28.852 0.328 1228 HD2 HIS 79 HD2 HIS 79 -19.000 -29.995 4.219 1229 HE1 HIS 79 HE1 HIS 79 -19.314 -31.029 0.117 1230 HE2 HIS 79 HE2 HIS 79 -19.818 -31.739 2.485 1231 HB2 HIS 79 HB2 HIS 79 -16.671 -27.653 2.315 1232 HB3 HIS 79 HB1 HIS 79 -17.392 -27.804 3.914 1233 H HIS 80 HN HIS 80 -20.746 -27.297 2.049 1234 HA HIS 80 HA HIS 80 -21.982 -26.212 4.459 1235 HD1 HIS 80 HD1 HIS 80 -23.272 -26.362 0.010 1236 HD2 HIS 80 HD2 HIS 80 -22.867 -23.847 3.302 1237 HE1 HIS 80 HE1 HIS 80 -23.019 -24.040 -0.932 1238 HE2 HIS 80 HE2 HIS 80 -22.713 -22.540 1.071 1239 HB2 HIS 80 HB2 HIS 80 -23.309 -27.615 2.126 1240 HB3 HIS 80 HB1 HIS 80 -24.106 -26.686 3.390 Start of MODEL 11 1 HA MET 1 HA MET 1 9.199 26.558 4.852 2 H1 MET 1 HT1 MET 1 10.034 26.074 2.058 3 H2 MET 1 HT2 MET 1 10.768 27.213 3.072 4 H3 MET 1 HT3 MET 1 9.129 27.375 2.667 5 HB2 MET 1 HB2 MET 1 8.650 24.330 2.881 6 HB3 MET 1 HB1 MET 1 8.209 24.270 4.583 7 HG2 MET 1 HG2 MET 1 7.219 26.290 2.587 8 HG3 MET 1 HG1 MET 1 6.323 24.886 3.166 9 HE1 MET 1 HE1 MET 1 4.299 26.493 3.794 10 HE2 MET 1 HE2 MET 1 5.214 27.896 3.244 11 HE3 MET 1 HE3 MET 1 4.459 27.904 4.838 12 H ALA 2 HN ALA 2 11.209 26.598 5.804 13 HA ALA 2 HA ALA 2 13.148 24.536 5.366 14 HB1 ALA 2 HB1 ALA 2 14.332 25.541 7.249 15 HB2 ALA 2 HB2 ALA 2 12.922 26.536 7.611 16 HB3 ALA 2 HB3 ALA 2 13.803 26.770 6.101 17 H GLN 3 HN GLN 3 10.299 24.790 7.198 18 HA GLN 3 HA GLN 3 11.026 22.779 9.144 19 HB2 GLN 3 HB2 GLN 3 9.440 24.616 9.694 20 HB3 GLN 3 HB1 GLN 3 8.312 23.960 8.513 21 HG2 GLN 3 HG2 GLN 3 8.315 21.830 9.833 22 HG3 GLN 3 HG1 GLN 3 9.242 22.683 11.066 23 HE21 GLN 3 HE21 GLN 3 6.158 22.343 9.524 24 HE22 GLN 3 HE22 GLN 3 5.260 23.291 10.653 25 H HIS 4 HN HIS 4 11.403 20.843 8.187 26 HA HIS 4 HA HIS 4 9.119 19.508 7.003 27 HD1 HIS 4 HD1 HIS 4 12.640 17.810 4.641 28 HD2 HIS 4 HD2 HIS 4 12.689 21.823 5.762 29 HE1 HIS 4 HE1 HIS 4 15.022 18.563 4.375 30 HE2 HIS 4 HE2 HIS 4 14.994 21.027 4.885 31 HB2 HIS 4 HB2 HIS 4 10.343 18.721 5.014 32 HB3 HIS 4 HB1 HIS 4 10.180 20.468 5.016 33 H SER 5 HN SER 5 10.301 19.148 9.475 34 HA SER 5 HA SER 5 11.624 16.546 9.125 35 HG SER 5 HG SER 5 14.027 17.118 11.644 36 HB2 SER 5 HB2 SER 5 13.183 18.363 9.895 37 HB3 SER 5 HB1 SER 5 12.214 18.497 11.360 38 H LYS 6 HN LYS 6 11.626 15.377 11.329 39 HA LYS 6 HA LYS 6 9.567 15.616 13.196 40 HB2 LYS 6 HB2 LYS 6 8.317 15.005 10.935 41 HB3 LYS 6 HB1 LYS 6 8.895 13.386 11.301 42 HG2 LYS 6 HG2 LYS 6 7.767 13.504 13.488 43 HG3 LYS 6 HG1 LYS 6 7.139 15.095 13.052 44 HD2 LYS 6 HD2 LYS 6 6.185 13.918 10.977 45 HD3 LYS 6 HD1 LYS 6 6.485 12.421 11.864 46 HE2 LYS 6 HE2 LYS 6 4.219 13.078 12.258 47 HE3 LYS 6 HE1 LYS 6 5.133 13.349 13.742 48 HZ1 LYS 6 HZ1 LYS 6 4.488 15.451 11.746 49 HZ2 LYS 6 HZ2 LYS 6 5.249 15.685 13.244 50 HZ3 LYS 6 HZ3 LYS 6 3.628 15.190 13.183 51 H TYR 7 HN TYR 7 10.571 12.784 11.300 52 HA TYR 7 HA TYR 7 12.497 12.102 13.423 53 HD1 TYR 7 HD1 TYR 7 11.628 9.867 14.766 54 HD2 TYR 7 HD2 TYR 7 9.301 10.062 11.211 55 HE1 TYR 7 HE1 TYR 7 9.674 9.031 16.005 56 HE2 TYR 7 HE2 TYR 7 7.341 9.235 12.438 57 HH TYR 7 HH TYR 7 6.921 7.851 14.489 58 HB2 TYR 7 HB2 TYR 7 11.592 10.393 11.082 59 HB3 TYR 7 HB1 TYR 7 12.643 9.886 12.397 60 H SER 8 HN SER 8 12.327 11.512 9.963 61 HA SER 8 HA SER 8 14.160 13.537 9.202 62 HG SER 8 HG SER 8 15.487 12.395 10.936 63 HB2 SER 8 HB2 SER 8 15.079 10.652 9.079 64 HB3 SER 8 HB1 SER 8 15.858 11.985 8.230 65 H ASP 9 HN ASP 9 12.985 14.221 7.522 66 HA ASP 9 HA ASP 9 11.312 12.533 5.958 67 HB2 ASP 9 HB2 ASP 9 10.947 14.464 4.559 68 HB3 ASP 9 HB1 ASP 9 10.998 15.016 6.229 69 H ALA 10 HN ALA 10 14.619 13.375 5.912 70 HA ALA 10 HA ALA 10 15.247 12.626 3.257 71 HB1 ALA 10 HB1 ALA 10 17.554 12.485 4.038 72 HB2 ALA 10 HB2 ALA 10 17.002 12.569 5.711 73 HB3 ALA 10 HB3 ALA 10 16.773 13.948 4.637 74 H GLN 11 HN GLN 11 15.010 10.874 6.320 75 HA GLN 11 HA GLN 11 15.884 8.358 5.386 76 HB2 GLN 11 HB2 GLN 11 13.905 9.074 7.554 77 HB3 GLN 11 HB1 GLN 11 14.396 7.422 7.217 78 HG2 GLN 11 HG2 GLN 11 16.203 9.663 8.084 79 HG3 GLN 11 HG1 GLN 11 15.611 8.350 9.099 80 HE21 GLN 11 HE21 GLN 11 17.764 9.265 6.569 81 HE22 GLN 11 HE22 GLN 11 18.717 7.820 6.556 82 H LEU 12 HN LEU 12 12.656 9.790 5.581 83 HA LEU 12 HA LEU 12 11.199 7.667 4.525 84 HG LEU 12 HG LEU 12 9.297 9.321 2.700 85 HB2 LEU 12 HB2 LEU 12 10.136 9.581 5.586 86 HB3 LEU 12 HB1 LEU 12 10.690 10.632 4.295 87 HD11 LEU 12 HD11 LEU 12 9.151 7.238 3.911 88 HD12 LEU 12 HD12 LEU 12 7.532 7.881 3.637 89 HD13 LEU 12 HD13 LEU 12 8.286 8.030 5.225 90 HD21 LEU 12 HD21 LEU 12 8.480 11.421 3.605 91 HD22 LEU 12 HD22 LEU 12 7.833 10.577 5.013 92 HD23 LEU 12 HD23 LEU 12 7.155 10.266 3.413 93 H SER 13 HN SER 13 12.316 10.581 2.804 94 HA SER 13 HA SER 13 11.422 9.865 0.285 95 HG SER 13 HG SER 13 12.335 12.546 1.993 96 HB2 SER 13 HB2 SER 13 13.880 11.509 0.906 97 HB3 SER 13 HB1 SER 13 12.915 11.570 -0.570 98 H ALA 14 HN ALA 14 14.545 9.143 1.804 99 HA ALA 14 HA ALA 14 15.784 8.020 -0.460 100 HB1 ALA 14 HB1 ALA 14 17.006 8.708 1.550 101 HB2 ALA 14 HB2 ALA 14 17.363 7.039 1.108 102 HB3 ALA 14 HB3 ALA 14 16.269 7.381 2.449 103 H ILE 15 HN ILE 15 13.783 6.592 2.088 104 HA ILE 15 HA ILE 15 14.103 3.906 1.231 105 HB ILE 15 HB ILE 15 11.939 5.179 2.911 106 HG12 ILE 15 HG12 ILE 15 14.362 3.516 3.635 107 HG13 ILE 15 HG11 ILE 15 14.195 5.250 3.877 108 HG21 ILE 15 HG21 ILE 15 12.497 2.246 2.471 109 HG22 ILE 15 HG22 ILE 15 11.102 3.137 1.861 110 HG23 ILE 15 HG23 ILE 15 11.318 2.922 3.597 111 HD11 ILE 15 HD11 ILE 15 12.342 4.833 5.435 112 HD12 ILE 15 HD12 ILE 15 13.850 4.080 5.955 113 HD13 ILE 15 HD13 ILE 15 12.580 3.098 5.223 114 H VAL 16 HN VAL 16 11.558 6.326 0.624 115 HA VAL 16 HA VAL 16 9.892 4.610 -0.878 116 HB VAL 16 HB VAL 16 10.020 7.536 -1.524 117 HG11 VAL 16 HG11 VAL 16 7.696 5.663 -1.090 118 HG12 VAL 16 HG12 VAL 16 8.423 6.025 -2.661 119 HG13 VAL 16 HG13 VAL 16 7.633 7.304 -1.738 120 HG21 VAL 16 HG21 VAL 16 8.813 6.402 0.999 121 HG22 VAL 16 HG22 VAL 16 8.632 8.058 0.422 122 HG23 VAL 16 HG23 VAL 16 10.218 7.462 0.908 123 H ASN 17 HN ASN 17 12.551 6.756 -1.802 124 HA ASN 17 HA ASN 17 12.343 6.380 -4.593 125 HB2 ASN 17 HB2 ASN 17 14.560 7.264 -2.782 126 HB3 ASN 17 HB1 ASN 17 14.891 6.944 -4.481 127 HD21 ASN 17 HD21 ASN 17 15.036 9.427 -3.003 128 HD22 ASN 17 HD22 ASN 17 13.980 10.534 -3.812 129 H ASP 18 HN ASP 18 14.034 4.573 -2.081 130 HA ASP 18 HA ASP 18 15.531 2.912 -3.778 131 HB2 ASP 18 HB2 ASP 18 15.968 3.204 -1.344 132 HB3 ASP 18 HB1 ASP 18 14.499 2.301 -0.997 133 H MET 19 HN MET 19 12.416 2.427 -2.117 134 HA MET 19 HA MET 19 11.782 -0.083 -3.082 135 HB2 MET 19 HB2 MET 19 10.207 2.238 -2.131 136 HB3 MET 19 HB1 MET 19 9.329 1.023 -3.047 137 HG2 MET 19 HG2 MET 19 9.182 0.602 -0.667 138 HG3 MET 19 HG1 MET 19 10.051 -0.694 -1.485 139 HE1 MET 19 HE1 MET 19 10.069 -0.346 1.625 140 HE2 MET 19 HE2 MET 19 11.775 -0.585 2.002 141 HE3 MET 19 HE3 MET 19 10.989 -1.603 0.795 142 H ILE 20 HN ILE 20 11.198 3.058 -4.642 143 HA ILE 20 HA ILE 20 9.868 2.049 -6.912 144 HB ILE 20 HB ILE 20 11.547 4.555 -6.671 145 HG12 ILE 20 HG12 ILE 20 8.549 4.171 -6.488 146 HG13 ILE 20 HG11 ILE 20 9.618 4.412 -5.110 147 HG21 ILE 20 HG21 ILE 20 9.541 3.752 -8.776 148 HG22 ILE 20 HG22 ILE 20 11.281 3.917 -9.001 149 HG23 ILE 20 HG23 ILE 20 10.299 5.339 -8.643 150 HD11 ILE 20 HD11 ILE 20 9.173 6.376 -7.345 151 HD12 ILE 20 HD12 ILE 20 10.204 6.619 -5.934 152 HD13 ILE 20 HD13 ILE 20 8.459 6.461 -5.734 153 H ALA 21 HN ALA 21 13.309 2.774 -6.354 154 HA ALA 21 HA ALA 21 14.208 2.068 -8.931 155 HB1 ALA 21 HB1 ALA 21 15.532 3.386 -7.340 156 HB2 ALA 21 HB2 ALA 21 16.428 1.993 -7.947 157 HB3 ALA 21 HB3 ALA 21 15.730 1.954 -6.327 158 H VAL 22 HN VAL 22 13.907 0.209 -5.945 159 HA VAL 22 HA VAL 22 15.005 -2.205 -6.924 160 HB VAL 22 HB VAL 22 12.979 -1.869 -4.700 161 HG11 VAL 22 HG11 VAL 22 13.948 -3.950 -3.826 162 HG12 VAL 22 HG12 VAL 22 14.961 -4.067 -5.265 163 HG13 VAL 22 HG13 VAL 22 13.207 -4.174 -5.410 164 HG21 VAL 22 HG21 VAL 22 14.987 -1.889 -3.201 165 HG22 VAL 22 HG22 VAL 22 14.829 -0.436 -4.193 166 HG23 VAL 22 HG23 VAL 22 15.989 -1.693 -4.641 167 H LEU 23 HN LEU 23 11.721 -0.907 -6.841 168 HA LEU 23 HA LEU 23 10.389 -3.186 -7.825 169 HG LEU 23 HG LEU 23 8.369 -1.678 -9.701 170 HB2 LEU 23 HB2 LEU 23 9.218 -1.278 -6.829 171 HB3 LEU 23 HB1 LEU 23 9.713 -0.260 -8.169 172 HD11 LEU 23 HD11 LEU 23 6.750 -3.244 -8.749 173 HD12 LEU 23 HD12 LEU 23 7.455 -2.999 -7.151 174 HD13 LEU 23 HD13 LEU 23 8.409 -3.747 -8.431 175 HD21 LEU 23 HD21 LEU 23 7.426 0.365 -8.810 176 HD22 LEU 23 HD22 LEU 23 6.887 -0.487 -7.363 177 HD23 LEU 23 HD23 LEU 23 6.177 -0.874 -8.931 178 H GLU 24 HN GLU 24 11.722 -0.351 -9.493 179 HA GLU 24 HA GLU 24 11.095 -1.147 -12.113 180 HB2 GLU 24 HB2 GLU 24 11.819 1.140 -11.345 181 HB3 GLU 24 HB1 GLU 24 13.460 0.524 -11.247 182 HG2 GLU 24 HG2 GLU 24 11.947 0.301 -13.806 183 HG3 GLU 24 HG1 GLU 24 12.665 1.839 -13.342 184 H LYS 25 HN LYS 25 13.824 -1.866 -10.030 185 HA LYS 25 HA LYS 25 15.514 -3.097 -11.896 186 HB2 LYS 25 HB2 LYS 25 16.146 -2.431 -9.585 187 HB3 LYS 25 HB1 LYS 25 15.193 -3.770 -8.964 188 HG2 LYS 25 HG2 LYS 25 16.650 -5.366 -10.022 189 HG3 LYS 25 HG1 LYS 25 17.550 -4.070 -10.814 190 HD2 LYS 25 HD2 LYS 25 17.373 -4.568 -7.841 191 HD3 LYS 25 HD1 LYS 25 18.768 -4.886 -8.873 192 HE2 LYS 25 HE2 LYS 25 18.860 -2.472 -9.416 193 HE3 LYS 25 HE1 LYS 25 17.538 -2.198 -8.283 194 HZ1 LYS 25 HZ1 LYS 25 19.571 -1.711 -7.189 195 HZ2 LYS 25 HZ2 LYS 25 20.264 -3.187 -7.654 196 HZ3 LYS 25 HZ3 LYS 25 18.989 -3.165 -6.530 197 H HIS 26 HN HIS 26 12.672 -4.248 -10.235 198 HA HIS 26 HA HIS 26 13.086 -6.986 -11.147 199 HD1 HIS 26 HD1 HIS 26 12.847 -5.169 -7.731 200 HD2 HIS 26 HD2 HIS 26 12.277 -9.189 -8.629 201 HE1 HIS 26 HE1 HIS 26 14.013 -6.444 -5.905 202 HE2 HIS 26 HE2 HIS 26 13.475 -8.862 -6.352 203 HB2 HIS 26 HB2 HIS 26 10.939 -5.675 -9.480 204 HB3 HIS 26 HB1 HIS 26 10.803 -7.335 -10.046 205 H LYS 27 HN LYS 27 11.606 -4.099 -12.140 206 HA LYS 27 HA LYS 27 10.429 -3.471 -13.965 207 HB2 LYS 27 HB2 LYS 27 12.196 -5.036 -15.007 208 HB3 LYS 27 HB1 LYS 27 10.894 -6.207 -15.129 209 HG2 LYS 27 HG2 LYS 27 10.890 -5.235 -17.215 210 HG3 LYS 27 HG1 LYS 27 9.635 -4.328 -16.378 211 HD2 LYS 27 HD2 LYS 27 12.488 -3.386 -16.557 212 HD3 LYS 27 HD1 LYS 27 11.274 -2.983 -17.768 213 HE2 LYS 27 HE2 LYS 27 9.899 -1.953 -15.990 214 HE3 LYS 27 HE1 LYS 27 11.187 -2.294 -14.833 215 HZ1 LYS 27 HZ1 LYS 27 12.653 -0.848 -16.009 216 HZ2 LYS 27 HZ2 LYS 27 11.210 0.002 -15.738 217 HZ3 LYS 27 HZ3 LYS 27 11.540 -0.639 -17.272 218 H ALA 28 HN ALA 28 9.083 -4.717 -11.737 219 HA ALA 28 HA ALA 28 6.964 -6.347 -12.797 220 HB1 ALA 28 HB1 ALA 28 7.223 -4.970 -10.122 221 HB2 ALA 28 HB2 ALA 28 7.703 -6.627 -10.484 222 HB3 ALA 28 HB3 ALA 28 6.001 -6.168 -10.549 223 HA PRO 29 HA PRO 29 4.751 -2.809 -14.388 224 HB2 PRO 29 HB2 PRO 29 2.475 -4.179 -15.034 225 HB3 PRO 29 HB1 PRO 29 3.930 -4.171 -16.038 226 HG2 PRO 29 HG2 PRO 29 2.994 -6.222 -14.069 227 HG3 PRO 29 HG1 PRO 29 3.697 -6.456 -15.681 228 HD2 PRO 29 HD2 PRO 29 5.152 -6.767 -13.442 229 HD3 PRO 29 HD1 PRO 29 5.857 -6.104 -14.931 230 H VAL 30 HN VAL 30 2.412 -1.974 -14.085 231 HA VAL 30 HA VAL 30 2.097 -1.376 -11.359 232 HB VAL 30 HB VAL 30 1.376 0.102 -13.224 233 HG11 VAL 30 HG11 VAL 30 -0.931 -1.820 -13.476 234 HG12 VAL 30 HG12 VAL 30 0.336 -1.540 -14.671 235 HG13 VAL 30 HG13 VAL 30 -0.805 -0.255 -14.277 236 HG21 VAL 30 HG21 VAL 30 0.594 0.563 -10.985 237 HG22 VAL 30 HG22 VAL 30 -0.752 -0.559 -11.193 238 HG23 VAL 30 HG23 VAL 30 -0.682 0.920 -12.150 239 H ASP 31 HN ASP 31 0.902 -3.981 -13.250 240 HA ASP 31 HA ASP 31 -1.367 -4.675 -11.693 241 HB2 ASP 31 HB2 ASP 31 0.332 -6.673 -13.176 242 HB3 ASP 31 HB1 ASP 31 -1.405 -6.706 -12.901 243 H LEU 32 HN LEU 32 1.665 -6.482 -11.953 244 HA LEU 32 HA LEU 32 1.252 -8.089 -9.730 245 HG LEU 32 HG LEU 32 2.219 -8.675 -12.478 246 HB2 LEU 32 HB2 LEU 32 3.798 -7.302 -11.128 247 HB3 LEU 32 HB1 LEU 32 3.730 -8.521 -9.870 248 HD11 LEU 32 HD11 LEU 32 4.748 -10.065 -11.613 249 HD12 LEU 32 HD12 LEU 32 4.611 -8.824 -12.860 250 HD13 LEU 32 HD13 LEU 32 3.843 -10.394 -13.092 251 HD21 LEU 32 HD21 LEU 32 2.666 -10.735 -10.320 252 HD22 LEU 32 HD22 LEU 32 1.791 -10.977 -11.832 253 HD23 LEU 32 HD23 LEU 32 1.159 -9.868 -10.615 254 H SER 33 HN SER 33 2.856 -4.954 -9.938 255 HA SER 33 HA SER 33 4.141 -5.062 -7.439 256 HG SER 33 HG SER 33 3.311 -2.806 -10.290 257 HB2 SER 33 HB2 SER 33 4.179 -2.533 -7.674 258 HB3 SER 33 HB1 SER 33 4.881 -3.439 -9.019 259 H LEU 34 HN LEU 34 0.958 -3.802 -8.395 260 HA LEU 34 HA LEU 34 0.278 -2.907 -5.783 261 HG LEU 34 HG LEU 34 -0.050 -1.502 -8.516 262 HB2 LEU 34 HB2 LEU 34 -1.419 -3.488 -8.202 263 HB3 LEU 34 HB1 LEU 34 -2.063 -2.841 -6.706 264 HD11 LEU 34 HD11 LEU 34 -2.340 -1.487 -9.364 265 HD12 LEU 34 HD12 LEU 34 -1.819 0.127 -8.882 266 HD13 LEU 34 HD13 LEU 34 -2.902 -0.796 -7.841 267 HD21 LEU 34 HD21 LEU 34 -0.238 0.414 -7.002 268 HD22 LEU 34 HD22 LEU 34 0.436 -0.996 -6.185 269 HD23 LEU 34 HD23 LEU 34 -1.248 -0.543 -5.917 270 H ILE 35 HN ILE 35 -0.022 -5.960 -7.455 271 HA ILE 35 HA ILE 35 -1.870 -7.176 -5.688 272 HB ILE 35 HB ILE 35 0.356 -8.649 -7.102 273 HG12 ILE 35 HG12 ILE 35 -0.733 -7.258 -8.783 274 HG13 ILE 35 HG11 ILE 35 -1.202 -8.938 -9.007 275 HG21 ILE 35 HG21 ILE 35 -1.248 -10.497 -7.123 276 HG22 ILE 35 HG22 ILE 35 -2.422 -9.489 -6.278 277 HG23 ILE 35 HG23 ILE 35 -0.915 -9.945 -5.482 278 HD11 ILE 35 HD11 ILE 35 -3.078 -7.423 -9.317 279 HD12 ILE 35 HD12 ILE 35 -2.871 -6.819 -7.673 280 HD13 ILE 35 HD13 ILE 35 -3.339 -8.497 -7.942 281 H ALA 36 HN ALA 36 1.681 -7.165 -5.780 282 HA ALA 36 HA ALA 36 2.146 -8.625 -3.441 283 HB1 ALA 36 HB1 ALA 36 3.832 -6.451 -4.689 284 HB2 ALA 36 HB2 ALA 36 3.895 -8.172 -5.076 285 HB3 ALA 36 HB3 ALA 36 4.381 -7.608 -3.478 286 H LEU 37 HN LEU 37 1.824 -5.124 -3.960 287 HA LEU 37 HA LEU 37 2.227 -4.362 -1.282 288 HG LEU 37 HG LEU 37 3.054 -3.184 -4.028 289 HB2 LEU 37 HB2 LEU 37 0.674 -2.993 -3.476 290 HB3 LEU 37 HB1 LEU 37 1.082 -2.252 -1.939 291 HD11 LEU 37 HD11 LEU 37 1.847 -1.175 -4.691 292 HD12 LEU 37 HD12 LEU 37 3.525 -0.798 -4.299 293 HD13 LEU 37 HD13 LEU 37 2.242 -0.415 -3.151 294 HD21 LEU 37 HD21 LEU 37 3.533 -1.741 -1.422 295 HD22 LEU 37 HD22 LEU 37 4.753 -2.177 -2.620 296 HD23 LEU 37 HD23 LEU 37 3.899 -3.437 -1.731 297 H GLY 38 HN GLY 38 -0.673 -5.341 -3.034 298 HA2 GLY 38 HA2 GLY 38 -2.569 -4.712 -1.053 299 HA3 GLY 38 HA1 GLY 38 -2.749 -5.958 -2.280 300 H ASN 39 HN ASN 39 -0.646 -7.632 -1.593 301 HA ASN 39 HA ASN 39 -1.762 -9.104 0.568 302 HB2 ASN 39 HB2 ASN 39 0.808 -9.359 -0.982 303 HB3 ASN 39 HB1 ASN 39 0.472 -10.391 0.400 304 HD21 ASN 39 HD21 ASN 39 -1.915 -9.262 -1.941 305 HD22 ASN 39 HD22 ASN 39 -2.255 -10.825 -2.610 306 H MET 40 HN MET 40 1.046 -7.010 0.232 307 HA MET 40 HA MET 40 2.103 -7.372 2.817 308 HB2 MET 40 HB2 MET 40 3.391 -6.404 0.975 309 HB3 MET 40 HB1 MET 40 2.321 -5.009 0.942 310 HG2 MET 40 HG2 MET 40 3.055 -4.401 3.198 311 HG3 MET 40 HG1 MET 40 4.137 -5.793 3.212 312 HE1 MET 40 HE1 MET 40 6.589 -2.739 2.903 313 HE2 MET 40 HE2 MET 40 6.182 -4.184 3.827 314 HE3 MET 40 HE3 MET 40 5.081 -2.805 3.816 315 H ALA 41 HN ALA 41 -0.122 -4.927 1.513 316 HA ALA 41 HA ALA 41 -0.292 -3.287 3.760 317 HB1 ALA 41 HB1 ALA 41 -2.469 -3.838 1.749 318 HB2 ALA 41 HB2 ALA 41 -1.155 -2.682 1.540 319 HB3 ALA 41 HB3 ALA 41 -2.355 -2.435 2.809 320 H SER 42 HN SER 42 -2.402 -5.999 2.837 321 HA SER 42 HA SER 42 -4.090 -5.783 5.089 322 HG SER 42 HG SER 42 -3.311 -7.683 2.058 323 HB2 SER 42 HB2 SER 42 -4.723 -8.177 4.429 324 HB3 SER 42 HB1 SER 42 -4.966 -6.922 3.214 325 H ASN 43 HN ASN 43 -1.225 -7.749 4.437 326 HA ASN 43 HA ASN 43 -1.242 -9.287 6.782 327 HB2 ASN 43 HB2 ASN 43 0.206 -9.731 4.818 328 HB3 ASN 43 HB1 ASN 43 1.157 -8.305 5.217 329 HD21 ASN 43 HD21 ASN 43 3.016 -9.566 5.401 330 HD22 ASN 43 HD22 ASN 43 3.298 -10.580 6.780 331 H LEU 44 HN LEU 44 0.192 -6.121 6.087 332 HA LEU 44 HA LEU 44 1.309 -5.748 8.663 333 HG LEU 44 HG LEU 44 2.367 -5.123 5.809 334 HB2 LEU 44 HB2 LEU 44 0.494 -3.752 6.552 335 HB3 LEU 44 HB1 LEU 44 1.359 -3.330 8.018 336 HD11 LEU 44 HD11 LEU 44 3.159 -2.356 6.698 337 HD12 LEU 44 HD12 LEU 44 2.385 -2.797 5.176 338 HD13 LEU 44 HD13 LEU 44 4.033 -3.325 5.514 339 HD21 LEU 44 HD21 LEU 44 3.756 -4.230 8.331 340 HD22 LEU 44 HD22 LEU 44 4.441 -5.231 7.048 341 HD23 LEU 44 HD23 LEU 44 3.116 -5.848 8.041 342 H LEU 45 HN LEU 45 -1.790 -4.756 7.228 343 HA LEU 45 HA LEU 45 -2.658 -3.212 9.413 344 HG LEU 45 HG LEU 45 -2.893 -2.810 6.416 345 HB2 LEU 45 HB2 LEU 45 -4.242 -4.685 7.311 346 HB3 LEU 45 HB1 LEU 45 -4.958 -3.590 8.476 347 HD11 LEU 45 HD11 LEU 45 -5.864 -2.311 6.507 348 HD12 LEU 45 HD12 LEU 45 -5.030 -3.403 5.403 349 HD13 LEU 45 HD13 LEU 45 -4.743 -1.665 5.309 350 HD21 LEU 45 HD21 LEU 45 -2.792 -1.441 8.432 351 HD22 LEU 45 HD22 LEU 45 -4.527 -1.142 8.328 352 HD23 LEU 45 HD23 LEU 45 -3.448 -0.522 7.077 353 H THR 46 HN THR 46 -2.450 -6.616 9.031 354 HA THR 46 HA THR 46 -4.187 -6.976 11.368 355 HB THR 46 HB THR 46 -3.847 -9.466 10.826 356 HG1 THR 46 HG1 THR 46 -3.097 -8.333 8.307 357 HG21 THR 46 HG21 THR 46 -5.639 -9.432 9.175 358 HG22 THR 46 HG22 THR 46 -5.347 -7.719 8.875 359 HG23 THR 46 HG23 THR 46 -5.937 -8.251 10.449 360 H THR 47 HN THR 47 -1.158 -6.144 11.070 361 HA THR 47 HA THR 47 -0.254 -7.923 13.226 362 HB THR 47 HB THR 47 1.470 -7.143 10.866 363 HG1 THR 47 HG1 THR 47 0.239 -8.748 10.074 364 HG21 THR 47 HG21 THR 47 2.711 -7.412 12.975 365 HG22 THR 47 HG22 THR 47 3.098 -8.685 11.819 366 HG23 THR 47 HG23 THR 47 2.015 -9.021 13.171 367 H SER 48 HN SER 48 0.344 -4.843 11.506 368 HA SER 48 HA SER 48 2.201 -4.064 13.623 369 HG SER 48 HG SER 48 1.680 -1.969 10.207 370 HB2 SER 48 HB2 SER 48 2.669 -2.112 12.098 371 HB3 SER 48 HB1 SER 48 3.025 -3.696 11.411 372 H VAL 49 HN VAL 49 -0.975 -3.250 12.441 373 HA VAL 49 HA VAL 49 -1.107 -1.040 14.374 374 HB VAL 49 HB VAL 49 -3.116 -0.274 13.192 375 HG11 VAL 49 HG11 VAL 49 -2.035 0.457 11.116 376 HG12 VAL 49 HG12 VAL 49 -0.750 -0.722 11.381 377 HG13 VAL 49 HG13 VAL 49 -0.970 0.612 12.513 378 HG21 VAL 49 HG21 VAL 49 -3.735 -1.269 11.022 379 HG22 VAL 49 HG22 VAL 49 -3.978 -2.380 12.369 380 HG23 VAL 49 HG23 VAL 49 -2.580 -2.571 11.310 381 HA PRO 50 HA PRO 50 -3.725 -3.264 17.141 382 HB2 PRO 50 HB2 PRO 50 -5.521 -0.894 17.150 383 HB3 PRO 50 HB1 PRO 50 -4.716 -1.704 18.499 384 HG2 PRO 50 HG2 PRO 50 -3.857 0.659 17.600 385 HG3 PRO 50 HG1 PRO 50 -2.720 -0.584 18.156 386 HD2 PRO 50 HD2 PRO 50 -3.425 0.239 15.371 387 HD3 PRO 50 HD1 PRO 50 -1.855 -0.249 16.042 388 H GLN 51 HN GLN 51 -5.094 -4.825 16.576 389 HA GLN 51 HA GLN 51 -6.513 -4.854 14.170 390 HB2 GLN 51 HB2 GLN 51 -6.781 -6.578 16.630 391 HB3 GLN 51 HB1 GLN 51 -7.668 -6.883 15.145 392 HG2 GLN 51 HG2 GLN 51 -5.774 -8.316 15.184 393 HG3 GLN 51 HG1 GLN 51 -5.492 -7.084 13.957 394 HE21 GLN 51 HE21 GLN 51 -3.261 -7.444 14.047 395 HE22 GLN 51 HE22 GLN 51 -2.301 -6.884 15.369 396 H THR 52 HN THR 52 -7.422 -3.600 17.250 397 HA THR 52 HA THR 52 -10.251 -3.638 16.802 398 HB THR 52 HB THR 52 -8.781 -1.796 18.683 399 HG1 THR 52 HG1 THR 52 -9.133 -4.575 18.765 400 HG21 THR 52 HG21 THR 52 -11.520 -3.066 18.760 401 HG22 THR 52 HG22 THR 52 -11.162 -1.370 18.432 402 HG23 THR 52 HG23 THR 52 -10.832 -2.050 20.027 403 H GLN 53 HN GLN 53 -7.627 -1.556 15.910 404 HA GLN 53 HA GLN 53 -9.527 0.561 15.126 405 HB2 GLN 53 HB2 GLN 53 -7.817 1.096 16.922 406 HB3 GLN 53 HB1 GLN 53 -6.578 0.897 15.693 407 HG2 GLN 53 HG2 GLN 53 -7.535 2.729 14.409 408 HG3 GLN 53 HG1 GLN 53 -8.807 2.919 15.615 409 HE21 GLN 53 HE21 GLN 53 -8.300 3.781 17.630 410 HE22 GLN 53 HE22 GLN 53 -6.834 4.671 17.905 411 H CYS 54 HN CYS 54 -8.113 -1.941 13.819 412 HA CYS 54 HA CYS 54 -6.355 -1.057 11.840 413 HG CYS 54 HG CYS 54 -8.882 -4.366 13.084 414 HB2 CYS 54 HB2 CYS 54 -6.850 -3.195 10.699 415 HB3 CYS 54 HB1 CYS 54 -6.553 -3.409 12.419 416 H GLU 55 HN GLU 55 -9.864 -1.402 11.774 417 HA GLU 55 HA GLU 55 -10.278 -0.863 9.060 418 HB2 GLU 55 HB2 GLU 55 -11.977 -1.787 10.650 419 HB3 GLU 55 HB1 GLU 55 -12.127 -0.182 11.353 420 HG2 GLU 55 HG2 GLU 55 -12.857 0.687 9.181 421 HG3 GLU 55 HG1 GLU 55 -12.748 -0.938 8.509 422 H ALA 56 HN ALA 56 -9.818 1.255 11.819 423 HA ALA 56 HA ALA 56 -10.606 3.646 10.483 424 HB1 ALA 56 HB1 ALA 56 -10.665 3.477 12.911 425 HB2 ALA 56 HB2 ALA 56 -9.620 4.800 12.399 426 HB3 ALA 56 HB3 ALA 56 -8.913 3.282 12.952 427 H LEU 57 HN LEU 57 -7.515 2.033 11.092 428 HA LEU 57 HA LEU 57 -5.826 4.029 10.081 429 HG LEU 57 HG LEU 57 -3.519 1.684 11.706 430 HB2 LEU 57 HB2 LEU 57 -5.583 1.097 10.508 431 HB3 LEU 57 HB1 LEU 57 -4.401 1.859 9.465 432 HD11 LEU 57 HD11 LEU 57 -2.972 4.027 12.130 433 HD12 LEU 57 HD12 LEU 57 -4.268 4.526 11.045 434 HD13 LEU 57 HD13 LEU 57 -2.881 3.641 10.411 435 HD21 LEU 57 HD21 LEU 57 -5.904 3.305 12.576 436 HD22 LEU 57 HD22 LEU 57 -4.545 2.833 13.595 437 HD23 LEU 57 HD23 LEU 57 -5.621 1.602 12.937 438 H ALA 58 HN ALA 58 -7.236 1.206 8.431 439 HA ALA 58 HA ALA 58 -6.112 1.818 5.906 440 HB1 ALA 58 HB1 ALA 58 -6.883 -0.423 6.502 441 HB2 ALA 58 HB2 ALA 58 -7.647 0.150 5.019 442 HB3 ALA 58 HB3 ALA 58 -8.549 0.158 6.535 443 H GLN 59 HN GLN 59 -9.019 2.832 7.528 444 HA GLN 59 HA GLN 59 -10.298 3.871 5.181 445 HB2 GLN 59 HB2 GLN 59 -11.179 3.167 7.642 446 HB3 GLN 59 HB1 GLN 59 -11.077 4.911 7.837 447 HG2 GLN 59 HG2 GLN 59 -12.575 5.262 5.997 448 HG3 GLN 59 HG1 GLN 59 -12.571 3.539 5.615 449 HE21 GLN 59 HE21 GLN 59 -12.649 2.747 8.414 450 HE22 GLN 59 HE22 GLN 59 -14.270 3.029 8.945 451 H ALA 60 HN ALA 60 -8.177 5.122 7.676 452 HA ALA 60 HA ALA 60 -8.411 7.863 6.882 453 HB1 ALA 60 HB1 ALA 60 -7.719 7.237 9.148 454 HB2 ALA 60 HB2 ALA 60 -6.507 8.244 8.359 455 HB3 ALA 60 HB3 ALA 60 -6.250 6.506 8.499 456 H PHE 61 HN PHE 61 -6.159 5.226 6.235 457 HA PHE 61 HA PHE 61 -4.251 6.599 4.737 458 HD1 PHE 61 HD2 PHE 61 -1.853 5.243 4.719 459 HD2 PHE 61 HD1 PHE 61 -4.585 3.264 2.122 460 HE1 PHE 61 HE2 PHE 61 -0.054 4.924 3.072 461 HE2 PHE 61 HE1 PHE 61 -2.790 2.939 0.475 462 HZ PHE 61 HZ PHE 61 -0.523 3.768 0.947 463 HB2 PHE 61 HB2 PHE 61 -4.026 4.255 5.521 464 HB3 PHE 61 HB1 PHE 61 -5.221 3.757 4.330 465 H SER 62 HN SER 62 -7.242 5.012 3.680 466 HA SER 62 HA SER 62 -6.923 5.607 0.943 467 HG SER 62 HG SER 62 -9.016 4.040 3.442 468 HB2 SER 62 HB2 SER 62 -9.491 5.217 0.940 469 HB3 SER 62 HB1 SER 62 -8.429 3.875 1.368 470 H ASN 63 HN ASN 63 -8.737 7.252 3.528 471 HA ASN 63 HA ASN 63 -9.860 9.302 2.032 472 HB2 ASN 63 HB2 ASN 63 -9.179 8.922 4.873 473 HB3 ASN 63 HB1 ASN 63 -9.300 10.602 4.359 474 HD21 ASN 63 HD21 ASN 63 -11.015 7.615 4.827 475 HD22 ASN 63 HD22 ASN 63 -12.613 8.282 4.673 476 H SER 64 HN SER 64 -6.616 9.097 3.420 477 HA SER 64 HA SER 64 -5.745 11.675 2.741 478 HG SER 64 HG SER 64 -5.177 9.417 4.801 479 HB2 SER 64 HB2 SER 64 -4.116 9.120 2.840 480 HB3 SER 64 HB1 SER 64 -3.484 10.763 2.956 481 H LEU 65 HN LEU 65 -5.677 8.628 0.943 482 HA LEU 65 HA LEU 65 -4.391 9.622 -1.357 483 HG LEU 65 HG LEU 65 -4.256 6.979 0.285 484 HB2 LEU 65 HB2 LEU 65 -6.287 7.293 -1.064 485 HB3 LEU 65 HB1 LEU 65 -5.300 7.609 -2.478 486 HD11 LEU 65 HD11 LEU 65 -5.299 5.058 -0.800 487 HD12 LEU 65 HD12 LEU 65 -3.549 4.866 -0.692 488 HD13 LEU 65 HD13 LEU 65 -4.294 5.316 -2.227 489 HD21 LEU 65 HD21 LEU 65 -2.793 7.366 -2.324 490 HD22 LEU 65 HD22 LEU 65 -2.073 6.861 -0.794 491 HD23 LEU 65 HD23 LEU 65 -2.774 8.472 -0.950 492 H ILE 66 HN ILE 66 -7.806 9.415 -0.440 493 HA ILE 66 HA ILE 66 -8.908 10.116 -2.930 494 HB ILE 66 HB ILE 66 -10.101 10.861 -0.258 495 HG12 ILE 66 HG12 ILE 66 -9.493 8.495 -0.188 496 HG13 ILE 66 HG11 ILE 66 -11.238 8.672 -0.310 497 HG21 ILE 66 HG21 ILE 66 -12.231 10.592 -1.451 498 HG22 ILE 66 HG22 ILE 66 -11.348 10.229 -2.932 499 HG23 ILE 66 HG23 ILE 66 -11.216 11.827 -2.197 500 HD11 ILE 66 HD11 ILE 66 -10.453 6.873 -1.718 501 HD12 ILE 66 HD12 ILE 66 -9.367 7.979 -2.560 502 HD13 ILE 66 HD13 ILE 66 -11.113 8.181 -2.701 503 H ASN 67 HN ASN 67 -7.731 12.081 -0.246 504 HA ASN 67 HA ASN 67 -8.522 14.587 -1.288 505 HB2 ASN 67 HB2 ASN 67 -6.515 13.710 0.753 506 HB3 ASN 67 HB1 ASN 67 -6.468 15.371 0.167 507 HD21 ASN 67 HD21 ASN 67 -8.287 13.013 1.966 508 HD22 ASN 67 HD22 ASN 67 -9.413 14.131 2.673 509 H ALA 68 HN ALA 68 -5.648 12.603 -1.742 510 HA ALA 68 HA ALA 68 -4.232 14.471 -3.351 511 HB1 ALA 68 HB1 ALA 68 -2.882 12.554 -4.053 512 HB2 ALA 68 HB2 ALA 68 -4.059 11.455 -3.334 513 HB3 ALA 68 HB3 ALA 68 -3.132 12.547 -2.308 514 H VAL 69 HN VAL 69 -6.506 11.859 -4.083 515 HA VAL 69 HA VAL 69 -6.471 12.105 -6.891 516 HB VAL 69 HB VAL 69 -8.802 11.253 -5.161 517 HG11 VAL 69 HG11 VAL 69 -9.548 10.030 -7.137 518 HG12 VAL 69 HG12 VAL 69 -8.185 10.672 -8.055 519 HG13 VAL 69 HG13 VAL 69 -9.440 11.761 -7.462 520 HG21 VAL 69 HG21 VAL 69 -6.819 9.932 -4.662 521 HG22 VAL 69 HG22 VAL 69 -6.605 9.587 -6.379 522 HG23 VAL 69 HG23 VAL 69 -8.018 8.968 -5.524 523 H LYS 70 HN LYS 70 -8.359 13.720 -4.386 524 HA LYS 70 HA LYS 70 -10.088 15.192 -5.992 525 HB2 LYS 70 HB2 LYS 70 -10.446 15.222 -3.638 526 HB3 LYS 70 HB1 LYS 70 -8.829 15.833 -3.324 527 HG2 LYS 70 HG2 LYS 70 -9.393 17.978 -4.228 528 HG3 LYS 70 HG1 LYS 70 -10.960 17.386 -4.778 529 HD2 LYS 70 HD2 LYS 70 -10.116 17.444 -1.886 530 HD3 LYS 70 HD1 LYS 70 -11.011 18.746 -2.671 531 HE2 LYS 70 HE2 LYS 70 -11.923 15.881 -2.484 532 HE3 LYS 70 HE1 LYS 70 -12.465 17.186 -1.431 533 HZ1 LYS 70 HZ1 LYS 70 -13.986 16.662 -3.310 534 HZ2 LYS 70 HZ2 LYS 70 -12.799 17.223 -4.387 535 HZ3 LYS 70 HZ3 LYS 70 -13.489 18.280 -3.260 536 H THR 71 HN THR 71 -6.749 15.893 -5.035 537 HA THR 71 HA THR 71 -6.669 18.477 -6.191 538 HB THR 71 HB THR 71 -4.346 16.584 -5.720 539 HG1 THR 71 HG1 THR 71 -5.748 17.087 -3.848 540 HG21 THR 71 HG21 THR 71 -4.461 19.598 -5.923 541 HG22 THR 71 HG22 THR 71 -3.764 18.506 -7.119 542 HG23 THR 71 HG23 THR 71 -3.029 18.649 -5.523 543 H ARG 72 HN ARG 72 -6.060 15.249 -7.453 544 HA ARG 72 HA ARG 72 -5.054 15.890 -9.994 545 HE ARG 72 HE ARG 72 -4.719 13.102 -12.593 546 HB2 ARG 72 HB2 ARG 72 -6.735 13.621 -8.952 547 HB3 ARG 72 HB1 ARG 72 -6.346 13.733 -10.661 548 HG2 ARG 72 HG2 ARG 72 -4.156 13.845 -8.647 549 HG3 ARG 72 HG1 ARG 72 -4.891 12.295 -9.071 550 HD2 ARG 72 HD2 ARG 72 -3.630 14.259 -10.973 551 HD3 ARG 72 HD1 ARG 72 -2.931 12.730 -10.447 552 HH11 ARG 72 HH11 ARG 72 -4.340 10.903 -9.887 553 HH12 ARG 72 HH12 ARG 72 -4.916 9.522 -10.759 554 HH21 ARG 72 HH21 ARG 72 -5.509 11.280 -13.729 555 HH22 ARG 72 HH22 ARG 72 -5.582 9.733 -12.938 556 H LEU 73 HN LEU 73 -8.369 15.355 -8.923 557 HA LEU 73 HA LEU 73 -9.599 15.913 -11.408 558 HG LEU 73 HG LEU 73 -9.746 13.828 -9.071 559 HB2 LEU 73 HB2 LEU 73 -10.804 16.056 -8.645 560 HB3 LEU 73 HB1 LEU 73 -11.677 15.880 -10.156 561 HD11 LEU 73 HD11 LEU 73 -11.722 12.524 -8.491 562 HD12 LEU 73 HD12 LEU 73 -12.760 13.857 -9.000 563 HD13 LEU 73 HD13 LEU 73 -11.691 14.051 -7.609 564 HD21 LEU 73 HD21 LEU 73 -11.743 13.715 -11.327 565 HD22 LEU 73 HD22 LEU 73 -10.757 12.370 -10.753 566 HD23 LEU 73 HD23 LEU 73 -9.988 13.773 -11.495 567 H GLU 74 HN GLU 74 -9.248 17.835 -8.447 568 HA GLU 74 HA GLU 74 -9.888 20.235 -10.014 569 HB2 GLU 74 HB2 GLU 74 -11.050 21.084 -7.938 570 HB3 GLU 74 HB1 GLU 74 -11.871 19.788 -8.793 571 HG2 GLU 74 HG2 GLU 74 -10.838 18.196 -7.155 572 HG3 GLU 74 HG1 GLU 74 -10.290 19.600 -6.246 573 H HIS 75 HN HIS 75 -7.874 21.071 -10.169 574 HA HIS 75 HA HIS 75 -6.137 21.331 -7.898 575 HD1 HIS 75 HD1 HIS 75 -5.675 19.843 -11.419 576 HD2 HIS 75 HD2 HIS 75 -2.891 21.350 -8.721 577 HE1 HIS 75 HE1 HIS 75 -3.753 18.217 -11.443 578 HE2 HIS 75 HE2 HIS 75 -2.010 19.241 -9.932 579 HB2 HIS 75 HB2 HIS 75 -6.065 22.320 -10.729 580 HB3 HIS 75 HB1 HIS 75 -4.972 23.010 -9.537 581 H HIS 76 HN HIS 76 -7.050 22.490 -6.286 582 HA HIS 76 HA HIS 76 -8.417 24.965 -6.806 583 HD1 HIS 76 HD1 HIS 76 -10.832 25.408 -4.898 584 HD2 HIS 76 HD2 HIS 76 -9.453 21.484 -4.951 585 HE1 HIS 76 HE1 HIS 76 -12.887 23.972 -5.026 586 HE2 HIS 76 HE2 HIS 76 -12.023 21.617 -5.280 587 HB2 HIS 76 HB2 HIS 76 -7.661 23.533 -4.268 588 HB3 HIS 76 HB1 HIS 76 -8.344 25.156 -4.246 589 H HIS 77 HN HIS 77 -7.751 26.975 -5.589 590 HA HIS 77 HA HIS 77 -5.124 27.585 -6.610 591 HD1 HIS 77 HD1 HIS 77 -5.667 29.793 -8.662 592 HD2 HIS 77 HD2 HIS 77 -9.295 28.821 -6.871 593 HE1 HIS 77 HE1 HIS 77 -7.379 29.856 -10.506 594 HE2 HIS 77 HE2 HIS 77 -9.535 29.119 -9.432 595 HB2 HIS 77 HB2 HIS 77 -7.130 29.378 -5.228 596 HB3 HIS 77 HB1 HIS 77 -5.672 29.915 -6.051 597 H HIS 78 HN HIS 78 -3.782 26.421 -5.221 598 HA HIS 78 HA HIS 78 -3.559 27.466 -2.484 599 HD1 HIS 78 HD1 HIS 78 -2.921 25.664 -0.111 600 HD2 HIS 78 HD2 HIS 78 0.239 25.064 -2.762 601 HE1 HIS 78 HE1 HIS 78 -0.868 25.385 1.320 602 HE2 HIS 78 HE2 HIS 78 1.031 24.996 -0.293 603 HB2 HIS 78 HB2 HIS 78 -3.612 25.039 -2.598 604 HB3 HIS 78 HB1 HIS 78 -2.323 25.028 -3.793 605 H HIS 79 HN HIS 79 -2.530 29.389 -2.728 606 HA HIS 79 HA HIS 79 0.258 29.384 -3.345 607 HD1 HIS 79 HD1 HIS 79 1.923 29.326 -5.571 608 HD2 HIS 79 HD2 HIS 79 0.050 33.029 -5.879 609 HE1 HIS 79 HE1 HIS 79 3.678 30.910 -6.437 610 HE2 HIS 79 HE2 HIS 79 2.457 33.080 -6.825 611 HB2 HIS 79 HB2 HIS 79 -0.796 29.340 -5.636 612 HB3 HIS 79 HB1 HIS 79 -1.519 30.899 -5.263 613 H HIS 80 HN HIS 80 1.035 30.757 -1.897 614 HA HIS 80 HA HIS 80 -0.620 33.000 -1.013 615 HD1 HIS 80 HD1 HIS 80 -0.932 33.553 1.938 616 HD2 HIS 80 HD2 HIS 80 3.088 34.206 1.072 617 HE1 HIS 80 HE1 HIS 80 -0.254 35.556 3.308 618 HE2 HIS 80 HE2 HIS 80 2.162 35.981 2.716 619 HB2 HIS 80 HB2 HIS 80 0.303 31.552 0.746 620 HB3 HIS 80 HB1 HIS 80 1.931 31.862 0.159 621 HA MET 1 HA MET 1 11.657 -23.247 -15.109 622 H1 MET 1 HT1 MET 1 9.662 -24.304 -14.264 623 H2 MET 1 HT2 MET 1 10.664 -25.414 -15.055 624 H3 MET 1 HT3 MET 1 9.266 -24.844 -15.822 625 HB2 MET 1 HB2 MET 1 10.556 -24.131 -17.789 626 HB3 MET 1 HB1 MET 1 11.869 -22.984 -17.579 627 HG2 MET 1 HG2 MET 1 12.783 -25.118 -18.132 628 HG3 MET 1 HG1 MET 1 13.183 -24.744 -16.457 629 HE1 MET 1 HE1 MET 1 13.363 -27.669 -17.860 630 HE2 MET 1 HE2 MET 1 12.770 -28.672 -16.535 631 HE3 MET 1 HE3 MET 1 13.874 -27.336 -16.208 632 H ALA 2 HN ALA 2 10.689 -21.479 -14.197 633 HA ALA 2 HA ALA 2 8.362 -20.304 -15.495 634 HB1 ALA 2 HB1 ALA 2 9.825 -19.462 -12.992 635 HB2 ALA 2 HB2 ALA 2 8.372 -20.459 -13.061 636 HB3 ALA 2 HB3 ALA 2 8.312 -18.776 -13.586 637 H GLN 3 HN GLN 3 9.199 -19.533 -17.426 638 HA GLN 3 HA GLN 3 11.132 -17.321 -17.164 639 HB2 GLN 3 HB2 GLN 3 11.658 -17.791 -19.597 640 HB3 GLN 3 HB1 GLN 3 12.200 -19.000 -18.443 641 HG2 GLN 3 HG2 GLN 3 10.408 -20.462 -19.023 642 HG3 GLN 3 HG1 GLN 3 9.656 -19.223 -20.027 643 HE21 GLN 3 HE21 GLN 3 12.327 -21.444 -19.734 644 HE22 GLN 3 HE22 GLN 3 12.757 -21.454 -21.412 645 H HIS 4 HN HIS 4 7.980 -18.039 -17.662 646 HA HIS 4 HA HIS 4 7.534 -15.536 -19.143 647 HD1 HIS 4 HD1 HIS 4 3.533 -17.548 -19.675 648 HD2 HIS 4 HD2 HIS 4 6.033 -14.766 -21.499 649 HE1 HIS 4 HE1 HIS 4 2.007 -15.935 -20.860 650 HE2 HIS 4 HE2 HIS 4 3.542 -14.358 -22.086 651 HB2 HIS 4 HB2 HIS 4 6.987 -17.466 -20.573 652 HB3 HIS 4 HB1 HIS 4 5.911 -18.092 -19.331 653 H SER 5 HN SER 5 6.204 -14.104 -18.162 654 HA SER 5 HA SER 5 5.411 -14.523 -15.480 655 HG SER 5 HG SER 5 3.743 -11.368 -15.643 656 HB2 SER 5 HB2 SER 5 5.941 -12.295 -16.474 657 HB3 SER 5 HB1 SER 5 4.435 -12.385 -17.385 658 H LYS 6 HN LYS 6 3.838 -15.806 -14.846 659 HA LYS 6 HA LYS 6 1.374 -15.911 -16.454 660 HB2 LYS 6 HB2 LYS 6 2.731 -17.979 -16.653 661 HB3 LYS 6 HB1 LYS 6 2.642 -18.187 -14.912 662 HG2 LYS 6 HG2 LYS 6 1.075 -19.603 -16.251 663 HG3 LYS 6 HG1 LYS 6 0.315 -18.629 -14.992 664 HD2 LYS 6 HD2 LYS 6 -0.258 -16.938 -16.722 665 HD3 LYS 6 HD1 LYS 6 0.387 -18.033 -17.948 666 HE2 LYS 6 HE2 LYS 6 -1.260 -19.687 -17.430 667 HE3 LYS 6 HE1 LYS 6 -1.820 -18.767 -16.034 668 HZ1 LYS 6 HZ1 LYS 6 -1.992 -17.814 -18.845 669 HZ2 LYS 6 HZ2 LYS 6 -2.658 -17.068 -17.471 670 HZ3 LYS 6 HZ3 LYS 6 -3.262 -18.557 -18.003 671 H TYR 7 HN TYR 7 2.459 -14.512 -13.917 672 HA TYR 7 HA TYR 7 1.597 -13.674 -11.990 673 HD1 TYR 7 HD1 TYR 7 -0.533 -13.990 -15.395 674 HD2 TYR 7 HD2 TYR 7 -0.392 -11.291 -12.109 675 HE1 TYR 7 HE1 TYR 7 -0.622 -12.095 -16.960 676 HE2 TYR 7 HE2 TYR 7 -0.479 -9.388 -13.664 677 HH TYR 7 HH TYR 7 0.066 -8.902 -16.026 678 HB2 TYR 7 HB2 TYR 7 -1.005 -14.741 -13.110 679 HB3 TYR 7 HB1 TYR 7 -0.870 -13.631 -11.754 680 H SER 8 HN SER 8 2.740 -16.233 -11.890 681 HA SER 8 HA SER 8 1.190 -18.147 -10.539 682 HG SER 8 HG SER 8 3.653 -20.227 -10.139 683 HB2 SER 8 HB2 SER 8 3.229 -18.822 -11.637 684 HB3 SER 8 HB1 SER 8 4.177 -17.712 -10.649 685 H ASP 9 HN ASP 9 0.951 -18.626 -8.386 686 HA ASP 9 HA ASP 9 1.152 -16.586 -6.461 687 HB2 ASP 9 HB2 ASP 9 0.863 -19.578 -6.216 688 HB3 ASP 9 HB1 ASP 9 0.973 -18.539 -4.798 689 H ALA 10 HN ALA 10 3.411 -18.880 -7.689 690 HA ALA 10 HA ALA 10 5.309 -18.546 -5.531 691 HB1 ALA 10 HB1 ALA 10 5.637 -19.811 -8.253 692 HB2 ALA 10 HB2 ALA 10 5.220 -20.657 -6.764 693 HB3 ALA 10 HB3 ALA 10 6.802 -19.896 -6.933 694 H GLN 11 HN GLN 11 4.630 -17.216 -8.685 695 HA GLN 11 HA GLN 11 7.047 -15.707 -8.945 696 HB2 GLN 11 HB2 GLN 11 5.505 -16.298 -10.829 697 HB3 GLN 11 HB1 GLN 11 4.325 -15.181 -10.163 698 HG2 GLN 11 HG2 GLN 11 5.955 -13.344 -10.485 699 HG3 GLN 11 HG1 GLN 11 7.039 -14.495 -11.265 700 HE21 GLN 11 HE21 GLN 11 5.827 -12.111 -12.361 701 HE22 GLN 11 HE22 GLN 11 4.904 -12.612 -13.739 702 H LEU 12 HN LEU 12 3.776 -15.023 -7.829 703 HA LEU 12 HA LEU 12 4.133 -12.329 -7.156 704 HG LEU 12 HG LEU 12 2.362 -12.308 -4.584 705 HB2 LEU 12 HB2 LEU 12 1.937 -13.380 -7.375 706 HB3 LEU 12 HB1 LEU 12 2.256 -14.370 -5.964 707 HD11 LEU 12 HD11 LEU 12 1.541 -10.210 -5.512 708 HD12 LEU 12 HD12 LEU 12 1.420 -10.951 -7.109 709 HD13 LEU 12 HD13 LEU 12 3.000 -10.742 -6.351 710 HD21 LEU 12 HD21 LEU 12 0.310 -13.601 -4.721 711 HD22 LEU 12 HD22 LEU 12 -0.178 -12.705 -6.160 712 HD23 LEU 12 HD23 LEU 12 -0.047 -11.879 -4.606 713 H SER 13 HN SER 13 4.278 -15.239 -5.082 714 HA SER 13 HA SER 13 4.815 -13.921 -2.693 715 HG SER 13 HG SER 13 6.081 -17.721 -3.298 716 HB2 SER 13 HB2 SER 13 5.737 -16.087 -1.911 717 HB3 SER 13 HB1 SER 13 4.194 -16.270 -2.745 718 H ALA 14 HN ALA 14 7.006 -15.024 -5.219 719 HA ALA 14 HA ALA 14 9.442 -14.510 -3.979 720 HB1 ALA 14 HB1 ALA 14 8.731 -14.182 -6.894 721 HB2 ALA 14 HB2 ALA 14 9.269 -15.670 -6.114 722 HB3 ALA 14 HB3 ALA 14 10.365 -14.293 -6.242 723 H ILE 15 HN ILE 15 7.395 -12.342 -5.921 724 HA ILE 15 HA ILE 15 9.092 -10.089 -5.679 725 HB ILE 15 HB ILE 15 6.132 -10.218 -6.265 726 HG12 ILE 15 HG12 ILE 15 8.534 -9.971 -8.088 727 HG13 ILE 15 HG11 ILE 15 7.538 -11.408 -7.894 728 HG21 ILE 15 HG21 ILE 15 6.794 -8.014 -5.431 729 HG22 ILE 15 HG22 ILE 15 6.366 -7.958 -7.141 730 HG23 ILE 15 HG23 ILE 15 8.062 -7.934 -6.656 731 HD11 ILE 15 HD11 ILE 15 5.623 -10.192 -8.809 732 HD12 ILE 15 HD12 ILE 15 6.981 -10.237 -9.934 733 HD13 ILE 15 HD13 ILE 15 6.640 -8.767 -9.021 734 H VAL 16 HN VAL 16 6.171 -11.062 -3.867 735 HA VAL 16 HA VAL 16 6.026 -8.709 -2.311 736 HB VAL 16 HB VAL 16 5.066 -11.366 -1.278 737 HG11 VAL 16 HG11 VAL 16 3.292 -10.030 -0.300 738 HG12 VAL 16 HG12 VAL 16 3.925 -8.581 -1.085 739 HG13 VAL 16 HG13 VAL 16 4.870 -9.393 0.169 740 HG21 VAL 16 HG21 VAL 16 2.973 -11.027 -2.522 741 HG22 VAL 16 HG22 VAL 16 4.351 -11.300 -3.588 742 HG23 VAL 16 HG23 VAL 16 3.713 -9.669 -3.371 743 H ASN 17 HN ASN 17 7.532 -11.861 -1.666 744 HA ASN 17 HA ASN 17 8.348 -11.193 0.977 745 HB2 ASN 17 HB2 ASN 17 9.243 -13.370 -0.916 746 HB3 ASN 17 HB1 ASN 17 9.890 -13.196 0.712 747 HD21 ASN 17 HD21 ASN 17 8.346 -15.364 -0.504 748 HD22 ASN 17 HD22 ASN 17 6.937 -15.557 0.486 749 H ASP 18 HN ASP 18 9.693 -10.620 -2.159 750 HA ASP 18 HA ASP 18 12.358 -10.085 -1.321 751 HB2 ASP 18 HB2 ASP 18 11.427 -10.550 -3.718 752 HB3 ASP 18 HB1 ASP 18 11.045 -8.833 -3.727 753 H MET 19 HN MET 19 9.476 -8.151 -2.012 754 HA MET 19 HA MET 19 10.460 -5.621 -1.372 755 HB2 MET 19 HB2 MET 19 7.685 -6.768 -1.055 756 HB3 MET 19 HB1 MET 19 8.062 -5.068 -0.815 757 HG2 MET 19 HG2 MET 19 8.826 -4.924 -3.140 758 HG3 MET 19 HG1 MET 19 8.408 -6.623 -3.368 759 HE1 MET 19 HE1 MET 19 5.667 -4.601 -5.389 760 HE2 MET 19 HE2 MET 19 6.964 -5.791 -5.506 761 HE3 MET 19 HE3 MET 19 7.343 -4.109 -5.140 762 H ILE 20 HN ILE 20 9.135 -8.141 0.713 763 HA ILE 20 HA ILE 20 9.123 -6.684 3.116 764 HB ILE 20 HB ILE 20 9.568 -9.651 2.714 765 HG12 ILE 20 HG12 ILE 20 7.049 -8.078 3.319 766 HG13 ILE 20 HG11 ILE 20 7.448 -8.820 1.773 767 HG21 ILE 20 HG21 ILE 20 8.831 -9.885 5.043 768 HG22 ILE 20 HG22 ILE 20 8.781 -8.128 5.199 769 HG23 ILE 20 HG23 ILE 20 10.318 -8.946 4.917 770 HD11 ILE 20 HD11 ILE 20 7.366 -11.023 2.795 771 HD12 ILE 20 HD12 ILE 20 5.849 -10.153 3.025 772 HD13 ILE 20 HD13 ILE 20 6.996 -10.291 4.357 773 H ALA 21 HN ALA 21 11.652 -8.563 1.513 774 HA ALA 21 HA ALA 21 13.606 -8.195 3.549 775 HB1 ALA 21 HB1 ALA 21 15.210 -9.001 1.911 776 HB2 ALA 21 HB2 ALA 21 14.021 -8.807 0.623 777 HB3 ALA 21 HB3 ALA 21 13.759 -10.002 1.893 778 H VAL 22 HN VAL 22 12.752 -6.434 0.605 779 HA VAL 22 HA VAL 22 14.796 -4.536 0.572 780 HB VAL 22 HB VAL 22 11.897 -3.983 -0.097 781 HG11 VAL 22 HG11 VAL 22 13.280 -1.988 -0.029 782 HG12 VAL 22 HG12 VAL 22 12.829 -2.369 -1.692 783 HG13 VAL 22 HG13 VAL 22 14.452 -2.743 -1.112 784 HG21 VAL 22 HG21 VAL 22 12.539 -5.990 -1.271 785 HG22 VAL 22 HG22 VAL 22 14.036 -5.228 -1.819 786 HG23 VAL 22 HG23 VAL 22 12.482 -4.644 -2.413 787 H LEU 23 HN LEU 23 11.644 -4.455 2.189 788 HA LEU 23 HA LEU 23 11.960 -1.986 3.502 789 HG LEU 23 HG LEU 23 8.609 -2.621 5.005 790 HB2 LEU 23 HB2 LEU 23 9.848 -3.394 3.149 791 HB3 LEU 23 HB1 LEU 23 10.371 -4.341 4.522 792 HD11 LEU 23 HD11 LEU 23 11.202 -2.344 6.513 793 HD12 LEU 23 HD12 LEU 23 9.944 -3.546 6.803 794 HD13 LEU 23 HD13 LEU 23 9.615 -1.838 7.092 795 HD21 LEU 23 HD21 LEU 23 9.423 -0.851 3.561 796 HD22 LEU 23 HD22 LEU 23 10.880 -0.698 4.544 797 HD23 LEU 23 HD23 LEU 23 9.307 -0.292 5.230 798 H GLU 24 HN GLU 24 12.737 -5.299 4.434 799 HA GLU 24 HA GLU 24 13.396 -4.692 7.122 800 HB2 GLU 24 HB2 GLU 24 12.672 -6.921 6.319 801 HB3 GLU 24 HB1 GLU 24 14.207 -7.092 5.481 802 HG2 GLU 24 HG2 GLU 24 15.410 -7.257 7.478 803 HG3 GLU 24 HG1 GLU 24 14.078 -6.607 8.436 804 H LYS 25 HN LYS 25 15.267 -4.640 4.157 805 HA LYS 25 HA LYS 25 17.838 -4.640 5.322 806 HB2 LYS 25 HB2 LYS 25 17.490 -4.877 2.884 807 HB3 LYS 25 HB1 LYS 25 16.950 -3.204 2.806 808 HG2 LYS 25 HG2 LYS 25 19.256 -2.680 3.875 809 HG3 LYS 25 HG1 LYS 25 19.693 -4.283 3.289 810 HD2 LYS 25 HD2 LYS 25 18.514 -2.146 1.530 811 HD3 LYS 25 HD1 LYS 25 20.248 -2.353 1.762 812 HE2 LYS 25 HE2 LYS 25 20.121 -4.609 0.871 813 HE3 LYS 25 HE1 LYS 25 18.372 -4.461 0.701 814 HZ1 LYS 25 HZ1 LYS 25 19.547 -4.090 -1.398 815 HZ2 LYS 25 HZ2 LYS 25 20.368 -2.775 -0.717 816 HZ3 LYS 25 HZ3 LYS 25 18.687 -2.711 -0.916 817 H HIS 26 HN HIS 26 15.463 -2.117 4.819 818 HA HIS 26 HA HIS 26 17.240 -0.026 5.778 819 HD1 HIS 26 HD1 HIS 26 16.573 2.625 3.794 820 HD2 HIS 26 HD2 HIS 26 14.944 -0.975 2.486 821 HE1 HIS 26 HE1 HIS 26 16.909 2.586 1.292 822 HE2 HIS 26 HE2 HIS 26 15.830 0.441 0.510 823 HB2 HIS 26 HB2 HIS 26 14.291 0.033 5.080 824 HB3 HIS 26 HB1 HIS 26 15.224 1.438 5.573 825 H LYS 27 HN LYS 27 14.755 -2.123 6.956 826 HA LYS 27 HA LYS 27 13.504 -2.251 8.830 827 HB2 LYS 27 HB2 LYS 27 15.693 -2.633 9.905 828 HB3 LYS 27 HB1 LYS 27 15.881 -0.899 10.131 829 HG2 LYS 27 HG2 LYS 27 13.890 -0.885 11.571 830 HG3 LYS 27 HG1 LYS 27 13.748 -2.631 11.371 831 HD2 LYS 27 HD2 LYS 27 15.842 -2.993 12.476 832 HD3 LYS 27 HD1 LYS 27 16.178 -1.260 12.505 833 HE2 LYS 27 HE2 LYS 27 15.423 -2.057 14.684 834 HE3 LYS 27 HE1 LYS 27 14.287 -0.900 13.993 835 HZ1 LYS 27 HZ1 LYS 27 13.930 -3.837 13.764 836 HZ2 LYS 27 HZ2 LYS 27 12.782 -2.620 13.464 837 HZ3 LYS 27 HZ3 LYS 27 13.295 -2.929 15.046 838 H ALA 28 HN ALA 28 12.270 -0.631 7.554 839 HA ALA 28 HA ALA 28 12.314 2.094 8.471 840 HB1 ALA 28 HB1 ALA 28 11.725 1.646 6.167 841 HB2 ALA 28 HB2 ALA 28 10.352 2.373 6.999 842 HB3 ALA 28 HB3 ALA 28 10.371 0.639 6.678 843 HA PRO 29 HA PRO 29 9.802 1.398 12.062 844 HB2 PRO 29 HB2 PRO 29 9.131 4.258 11.682 845 HB3 PRO 29 HB1 PRO 29 9.815 3.442 13.091 846 HG2 PRO 29 HG2 PRO 29 11.316 5.019 11.546 847 HG3 PRO 29 HG1 PRO 29 11.972 3.534 12.259 848 HD2 PRO 29 HD2 PRO 29 11.072 4.058 9.457 849 HD3 PRO 29 HD1 PRO 29 12.449 3.101 10.044 850 H VAL 30 HN VAL 30 7.545 1.581 12.681 851 HA VAL 30 HA VAL 30 5.822 0.725 10.663 852 HB VAL 30 HB VAL 30 4.989 1.941 13.302 853 HG11 VAL 30 HG11 VAL 30 3.615 -0.074 11.528 854 HG12 VAL 30 HG12 VAL 30 3.136 1.608 11.756 855 HG13 VAL 30 HG13 VAL 30 3.040 0.473 13.102 856 HG21 VAL 30 HG21 VAL 30 6.677 0.222 13.664 857 HG22 VAL 30 HG22 VAL 30 5.750 -0.910 12.681 858 HG23 VAL 30 HG23 VAL 30 5.094 -0.330 14.211 859 H ASP 31 HN ASP 31 6.448 3.929 11.911 860 HA ASP 31 HA ASP 31 4.235 5.144 10.551 861 HB2 ASP 31 HB2 ASP 31 5.696 7.281 11.064 862 HB3 ASP 31 HB1 ASP 31 4.808 6.457 12.337 863 H LEU 32 HN LEU 32 7.769 5.444 10.050 864 HA LEU 32 HA LEU 32 7.622 6.829 7.649 865 HG LEU 32 HG LEU 32 9.594 7.014 9.998 866 HB2 LEU 32 HB2 LEU 32 9.754 4.973 8.685 867 HB3 LEU 32 HB1 LEU 32 9.938 5.901 7.209 868 HD11 LEU 32 HD11 LEU 32 11.821 6.130 9.581 869 HD12 LEU 32 HD12 LEU 32 11.857 7.892 9.644 870 HD13 LEU 32 HD13 LEU 32 11.934 7.062 8.089 871 HD21 LEU 32 HD21 LEU 32 8.450 8.416 8.371 872 HD22 LEU 32 HD22 LEU 32 9.897 8.449 7.363 873 HD23 LEU 32 HD23 LEU 32 9.915 9.205 8.956 874 H SER 33 HN SER 33 7.551 3.321 8.158 875 HA SER 33 HA SER 33 7.937 2.588 5.463 876 HG SER 33 HG SER 33 6.855 1.382 8.775 877 HB2 SER 33 HB2 SER 33 6.869 0.415 6.144 878 HB3 SER 33 HB1 SER 33 8.212 0.919 7.168 879 H LEU 34 HN LEU 34 4.961 3.188 7.311 880 HA LEU 34 HA LEU 34 3.222 2.501 5.173 881 HG LEU 34 HG LEU 34 3.219 1.819 8.193 882 HB2 LEU 34 HB2 LEU 34 2.740 4.163 7.645 883 HB3 LEU 34 HB1 LEU 34 1.480 3.653 6.538 884 HD11 LEU 34 HD11 LEU 34 0.299 2.527 8.430 885 HD12 LEU 34 HD12 LEU 34 1.583 3.042 9.525 886 HD13 LEU 34 HD13 LEU 34 1.157 1.335 9.406 887 HD21 LEU 34 HD21 LEU 34 1.761 0.039 7.383 888 HD22 LEU 34 HD22 LEU 34 2.600 0.824 6.044 889 HD23 LEU 34 HD23 LEU 34 0.905 1.194 6.363 890 H ILE 35 HN ILE 35 4.732 5.503 6.209 891 HA ILE 35 HA ILE 35 3.223 7.179 4.481 892 HB ILE 35 HB ILE 35 5.993 7.700 5.576 893 HG12 ILE 35 HG12 ILE 35 3.300 8.458 6.737 894 HG13 ILE 35 HG11 ILE 35 4.330 7.169 7.349 895 HG21 ILE 35 HG21 ILE 35 5.371 9.177 3.742 896 HG22 ILE 35 HG22 ILE 35 5.402 10.061 5.266 897 HG23 ILE 35 HG23 ILE 35 3.861 9.578 4.559 898 HD11 ILE 35 HD11 ILE 35 4.556 9.148 8.709 899 HD12 ILE 35 HD12 ILE 35 4.995 10.103 7.292 900 HD13 ILE 35 HD13 ILE 35 6.067 8.822 7.859 901 H ALA 36 HN ALA 36 6.284 5.435 4.140 902 HA ALA 36 HA ALA 36 6.998 6.352 1.586 903 HB1 ALA 36 HB1 ALA 36 8.399 4.382 1.441 904 HB2 ALA 36 HB2 ALA 36 7.514 3.619 2.762 905 HB3 ALA 36 HB3 ALA 36 8.496 5.051 3.070 906 H LEU 37 HN LEU 37 5.074 3.554 2.625 907 HA LEU 37 HA LEU 37 4.395 2.588 0.081 908 HG LEU 37 HG LEU 37 3.268 0.451 0.320 909 HB2 LEU 37 HB2 LEU 37 4.010 1.602 2.469 910 HB3 LEU 37 HB1 LEU 37 2.500 2.485 2.408 911 HD11 LEU 37 HD11 LEU 37 1.608 0.027 2.800 912 HD12 LEU 37 HD12 LEU 37 3.230 -0.611 2.530 913 HD13 LEU 37 HD13 LEU 37 1.890 -1.147 1.516 914 HD21 LEU 37 HD21 LEU 37 0.856 0.400 -0.100 915 HD22 LEU 37 HD22 LEU 37 1.520 2.019 -0.335 916 HD23 LEU 37 HD23 LEU 37 0.618 1.639 1.132 917 H GLY 38 HN GLY 38 2.835 4.978 2.179 918 HA2 GLY 38 HA2 GLY 38 0.606 5.564 0.605 919 HA3 GLY 38 HA1 GLY 38 1.375 6.681 1.723 920 H ASN 39 HN ASN 39 3.745 7.263 0.668 921 HA ASN 39 HA ASN 39 3.217 9.034 -1.429 922 HB2 ASN 39 HB2 ASN 39 5.736 7.912 -0.260 923 HB3 ASN 39 HB1 ASN 39 5.821 8.871 -1.733 924 HD21 ASN 39 HD21 ASN 39 5.013 8.904 1.663 925 HD22 ASN 39 HD22 ASN 39 5.017 10.629 1.844 926 H MET 40 HN MET 40 4.531 5.754 -1.501 927 HA MET 40 HA MET 40 5.116 5.708 -4.269 928 HB2 MET 40 HB2 MET 40 6.116 4.130 -2.699 929 HB3 MET 40 HB1 MET 40 4.536 3.442 -2.355 930 HG2 MET 40 HG2 MET 40 4.364 2.570 -4.576 931 HG3 MET 40 HG1 MET 40 5.841 3.399 -5.062 932 HE1 MET 40 HE1 MET 40 5.323 1.670 -1.582 933 HE2 MET 40 HE2 MET 40 5.838 0.016 -1.917 934 HE3 MET 40 HE3 MET 40 4.359 0.642 -2.645 935 H ALA 41 HN ALA 41 2.314 4.544 -2.417 936 HA ALA 41 HA ALA 41 0.847 3.550 -4.607 937 HB1 ALA 41 HB1 ALA 41 -1.077 3.592 -3.119 938 HB2 ALA 41 HB2 ALA 41 -0.211 4.645 -1.999 939 HB3 ALA 41 HB3 ALA 41 0.345 2.993 -2.264 940 H SER 42 HN SER 42 0.792 6.703 -2.984 941 HA SER 42 HA SER 42 -1.266 7.874 -4.467 942 HG SER 42 HG SER 42 0.146 11.050 -3.551 943 HB2 SER 42 HB2 SER 42 -0.339 8.825 -2.379 944 HB3 SER 42 HB1 SER 42 1.152 9.222 -3.229 945 H ASN 43 HN ASN 43 2.227 7.780 -5.055 946 HA ASN 43 HA ASN 43 2.297 9.467 -7.288 947 HB2 ASN 43 HB2 ASN 43 4.327 8.787 -6.119 948 HB3 ASN 43 HB1 ASN 43 4.074 7.114 -6.602 949 HD21 ASN 43 HD21 ASN 43 4.585 6.478 -8.667 950 HD22 ASN 43 HD22 ASN 43 5.440 7.483 -9.780 951 H LEU 44 HN LEU 44 1.631 6.013 -7.022 952 HA LEU 44 HA LEU 44 1.647 5.565 -9.847 953 HG LEU 44 HG LEU 44 2.877 4.011 -7.331 954 HB2 LEU 44 HB2 LEU 44 0.489 3.904 -7.611 955 HB3 LEU 44 HB1 LEU 44 0.664 3.374 -9.273 956 HD11 LEU 44 HD11 LEU 44 1.834 1.840 -7.014 957 HD12 LEU 44 HD12 LEU 44 3.462 1.659 -7.670 958 HD13 LEU 44 HD13 LEU 44 2.060 1.467 -8.722 959 HD21 LEU 44 HD21 LEU 44 4.420 3.461 -9.126 960 HD22 LEU 44 HD22 LEU 44 3.413 4.842 -9.570 961 HD23 LEU 44 HD23 LEU 44 3.068 3.247 -10.240 962 H LEU 45 HN LEU 45 -0.875 6.034 -7.416 963 HA LEU 45 HA LEU 45 -3.072 5.619 -9.120 964 HG LEU 45 HG LEU 45 -2.440 4.865 -6.194 965 HB2 LEU 45 HB2 LEU 45 -2.850 7.265 -6.602 966 HB3 LEU 45 HB1 LEU 45 -4.361 6.866 -7.397 967 HD11 LEU 45 HD11 LEU 45 -3.590 6.247 -4.520 968 HD12 LEU 45 HD12 LEU 45 -4.141 4.573 -4.481 969 HD13 LEU 45 HD13 LEU 45 -5.141 5.813 -5.237 970 HD21 LEU 45 HD21 LEU 45 -3.672 3.964 -8.110 971 HD22 LEU 45 HD22 LEU 45 -5.192 4.493 -7.387 972 HD23 LEU 45 HD23 LEU 45 -4.229 3.243 -6.599 973 H THR 46 HN THR 46 -0.984 8.354 -8.690 974 HA THR 46 HA THR 46 -2.954 10.128 -9.914 975 HB THR 46 HB THR 46 -1.274 11.933 -9.437 976 HG1 THR 46 HG1 THR 46 -0.015 10.101 -7.694 977 HG21 THR 46 HG21 THR 46 -3.145 11.552 -7.948 978 HG22 THR 46 HG22 THR 46 -1.704 11.940 -7.008 979 HG23 THR 46 HG23 THR 46 -2.261 10.271 -7.118 980 H THR 47 HN THR 47 -0.734 8.039 -11.048 981 HA THR 47 HA THR 47 -0.175 9.740 -13.386 982 HB THR 47 HB THR 47 1.846 8.252 -13.745 983 HG1 THR 47 HG1 THR 47 1.820 7.702 -10.994 984 HG21 THR 47 HG21 THR 47 1.782 9.992 -11.276 985 HG22 THR 47 HG22 THR 47 2.059 10.542 -12.927 986 HG23 THR 47 HG23 THR 47 3.238 9.494 -12.139 987 H SER 48 HN SER 48 -0.756 6.399 -12.293 988 HA SER 48 HA SER 48 -1.023 5.589 -15.097 989 HG SER 48 HG SER 48 1.033 5.326 -13.127 990 HB2 SER 48 HB2 SER 48 -0.797 3.829 -12.651 991 HB3 SER 48 HB1 SER 48 -0.595 3.346 -14.336 992 H VAL 49 HN VAL 49 -3.023 6.520 -12.621 993 HA VAL 49 HA VAL 49 -5.155 4.675 -13.470 994 HB VAL 49 HB VAL 49 -4.999 6.174 -10.847 995 HG11 VAL 49 HG11 VAL 49 -6.851 3.966 -11.745 996 HG12 VAL 49 HG12 VAL 49 -7.280 5.671 -11.604 997 HG13 VAL 49 HG13 VAL 49 -6.849 4.747 -10.164 998 HG21 VAL 49 HG21 VAL 49 -4.449 3.259 -11.418 999 HG22 VAL 49 HG22 VAL 49 -4.480 4.015 -9.825 1000 HG23 VAL 49 HG23 VAL 49 -3.242 4.475 -10.995 1001 HA PRO 50 HA PRO 50 -7.174 8.102 -15.479 1002 HB2 PRO 50 HB2 PRO 50 -9.559 6.455 -14.770 1003 HB3 PRO 50 HB1 PRO 50 -9.106 7.169 -16.322 1004 HG2 PRO 50 HG2 PRO 50 -8.774 4.572 -15.898 1005 HG3 PRO 50 HG1 PRO 50 -7.551 5.504 -16.782 1006 HD2 PRO 50 HD2 PRO 50 -7.507 4.492 -13.976 1007 HD3 PRO 50 HD1 PRO 50 -6.181 4.628 -15.147 1008 H GLN 51 HN GLN 51 -8.573 9.803 -14.970 1009 HA GLN 51 HA GLN 51 -8.245 10.819 -12.429 1010 HB2 GLN 51 HB2 GLN 51 -10.182 11.568 -14.607 1011 HB3 GLN 51 HB1 GLN 51 -10.061 12.477 -13.112 1012 HG2 GLN 51 HG2 GLN 51 -8.773 13.616 -14.728 1013 HG3 GLN 51 HG1 GLN 51 -7.639 12.838 -13.629 1014 HE21 GLN 51 HE21 GLN 51 -9.006 12.828 -16.818 1015 HE22 GLN 51 HE22 GLN 51 -7.809 11.818 -17.549 1016 H THR 52 HN THR 52 -11.398 9.774 -13.791 1017 HA THR 52 HA THR 52 -12.619 10.151 -11.220 1018 HB THR 52 HB THR 52 -13.798 10.604 -13.386 1019 HG1 THR 52 HG1 THR 52 -14.730 9.629 -11.122 1020 HG21 THR 52 HG21 THR 52 -14.872 8.717 -14.540 1021 HG22 THR 52 HG22 THR 52 -13.994 7.589 -13.504 1022 HG23 THR 52 HG23 THR 52 -13.112 8.620 -14.631 1023 H GLN 53 HN GLN 53 -11.164 7.497 -12.871 1024 HA GLN 53 HA GLN 53 -12.518 5.445 -11.401 1025 HB2 GLN 53 HB2 GLN 53 -11.495 4.953 -13.582 1026 HB3 GLN 53 HB1 GLN 53 -9.906 5.330 -12.926 1027 HG2 GLN 53 HG2 GLN 53 -10.120 3.465 -11.351 1028 HG3 GLN 53 HG1 GLN 53 -11.701 3.084 -12.023 1029 HE21 GLN 53 HE21 GLN 53 -10.855 3.668 -14.766 1030 HE22 GLN 53 HE22 GLN 53 -9.878 2.321 -15.245 1031 H CYS 54 HN CYS 54 -9.603 7.339 -11.024 1032 HA CYS 54 HA CYS 54 -8.239 5.799 -9.155 1033 HG CYS 54 HG CYS 54 -6.768 7.165 -7.145 1034 HB2 CYS 54 HB2 CYS 54 -7.350 7.799 -10.367 1035 HB3 CYS 54 HB1 CYS 54 -8.291 8.816 -9.282 1036 H GLU 55 HN GLU 55 -10.677 8.323 -8.616 1037 HA GLU 55 HA GLU 55 -10.498 8.332 -5.802 1038 HB2 GLU 55 HB2 GLU 55 -11.532 10.166 -7.032 1039 HB3 GLU 55 HB1 GLU 55 -12.801 9.092 -7.606 1040 HG2 GLU 55 HG2 GLU 55 -13.592 8.794 -5.319 1041 HG3 GLU 55 HG1 GLU 55 -12.315 9.858 -4.736 1042 H ALA 56 HN ALA 56 -12.580 6.535 -8.040 1043 HA ALA 56 HA ALA 56 -14.183 5.441 -5.923 1044 HB1 ALA 56 HB1 ALA 56 -14.032 4.636 -8.826 1045 HB2 ALA 56 HB2 ALA 56 -15.111 5.861 -8.157 1046 HB3 ALA 56 HB3 ALA 56 -15.288 4.173 -7.677 1047 H LEU 57 HN LEU 57 -11.382 4.510 -7.739 1048 HA LEU 57 HA LEU 57 -11.434 1.737 -7.102 1049 HG LEU 57 HG LEU 57 -8.874 0.709 -7.652 1050 HB2 LEU 57 HB2 LEU 57 -10.139 3.131 -8.941 1051 HB3 LEU 57 HB1 LEU 57 -8.893 3.181 -7.708 1052 HD11 LEU 57 HD11 LEU 57 -11.159 0.287 -8.335 1053 HD12 LEU 57 HD12 LEU 57 -10.047 -0.511 -9.450 1054 HD13 LEU 57 HD13 LEU 57 -10.842 0.994 -9.918 1055 HD21 LEU 57 HD21 LEU 57 -8.484 1.947 -10.375 1056 HD22 LEU 57 HD22 LEU 57 -7.818 0.400 -9.849 1057 HD23 LEU 57 HD23 LEU 57 -7.297 1.894 -9.071 1058 H ALA 58 HN ALA 58 -9.809 4.566 -5.732 1059 HA ALA 58 HA ALA 58 -8.290 3.192 -3.797 1060 HB1 ALA 58 HB1 ALA 58 -7.820 5.502 -4.442 1061 HB2 ALA 58 HB2 ALA 58 -8.045 5.360 -2.700 1062 HB3 ALA 58 HB3 ALA 58 -9.334 6.025 -3.704 1063 H GLN 59 HN GLN 59 -11.515 4.662 -3.675 1064 HA GLN 59 HA GLN 59 -12.048 4.041 -0.965 1065 HB2 GLN 59 HB2 GLN 59 -13.763 4.724 -3.329 1066 HB3 GLN 59 HB1 GLN 59 -14.505 4.201 -1.823 1067 HG2 GLN 59 HG2 GLN 59 -12.640 6.549 -2.112 1068 HG3 GLN 59 HG1 GLN 59 -14.400 6.646 -2.047 1069 HE21 GLN 59 HE21 GLN 59 -12.461 7.829 -0.270 1070 HE22 GLN 59 HE22 GLN 59 -12.796 7.210 1.308 1071 H ALA 60 HN ALA 60 -12.462 2.241 -3.952 1072 HA ALA 60 HA ALA 60 -13.980 0.122 -2.799 1073 HB1 ALA 60 HB1 ALA 60 -13.540 -1.079 -4.871 1074 HB2 ALA 60 HB2 ALA 60 -12.316 0.110 -5.318 1075 HB3 ALA 60 HB3 ALA 60 -14.011 0.586 -5.212 1076 H PHE 61 HN PHE 61 -10.549 0.597 -3.516 1077 HA PHE 61 HA PHE 61 -9.668 -1.983 -2.852 1078 HD1 PHE 61 HD1 PHE 61 -7.644 -2.573 -4.468 1079 HD2 PHE 61 HD2 PHE 61 -6.219 -0.164 -1.261 1080 HE1 PHE 61 HE1 PHE 61 -5.685 -4.041 -4.240 1081 HE2 PHE 61 HE2 PHE 61 -4.256 -1.632 -1.028 1082 HZ PHE 61 HZ PHE 61 -3.986 -3.572 -2.520 1083 HB2 PHE 61 HB2 PHE 61 -8.390 -0.168 -4.088 1084 HB3 PHE 61 HB1 PHE 61 -8.060 0.554 -2.518 1085 H SER 62 HN SER 62 -9.988 0.953 -0.889 1086 HA SER 62 HA SER 62 -8.813 -0.101 1.441 1087 HG SER 62 HG SER 62 -11.338 3.079 1.413 1088 HB2 SER 62 HB2 SER 62 -10.066 1.754 2.601 1089 HB3 SER 62 HB1 SER 62 -9.058 2.273 1.249 1090 H ASN 63 HN ASN 63 -12.260 0.271 0.574 1091 HA ASN 63 HA ASN 63 -13.282 -1.015 2.844 1092 HB2 ASN 63 HB2 ASN 63 -14.387 -0.489 0.109 1093 HB3 ASN 63 HB1 ASN 63 -15.287 -1.497 1.236 1094 HD21 ASN 63 HD21 ASN 63 -14.110 1.698 0.547 1095 HD22 ASN 63 HD22 ASN 63 -15.056 2.525 1.748 1096 H SER 64 HN SER 64 -12.126 -2.308 -0.204 1097 HA SER 64 HA SER 64 -12.991 -4.964 0.153 1098 HG SER 64 HG SER 64 -12.009 -5.910 -2.518 1099 HB2 SER 64 HB2 SER 64 -12.032 -3.903 -1.966 1100 HB3 SER 64 HB1 SER 64 -10.439 -4.133 -1.245 1101 H LEU 65 HN LEU 65 -10.014 -3.268 1.075 1102 HA LEU 65 HA LEU 65 -8.778 -5.495 2.320 1103 HG LEU 65 HG LEU 65 -7.670 -3.218 0.495 1104 HB2 LEU 65 HB2 LEU 65 -8.365 -2.536 2.731 1105 HB3 LEU 65 HB1 LEU 65 -7.357 -3.780 3.445 1106 HD11 LEU 65 HD11 LEU 65 -6.366 -1.539 1.697 1107 HD12 LEU 65 HD12 LEU 65 -5.343 -2.508 0.635 1108 HD13 LEU 65 HD13 LEU 65 -5.345 -2.810 2.373 1109 HD21 LEU 65 HD21 LEU 65 -5.918 -4.884 0.183 1110 HD22 LEU 65 HD22 LEU 65 -7.346 -5.603 0.931 1111 HD23 LEU 65 HD23 LEU 65 -5.928 -5.233 1.912 1112 H ILE 66 HN ILE 66 -10.997 -3.014 3.455 1113 HA ILE 66 HA ILE 66 -10.863 -3.432 6.200 1114 HB ILE 66 HB ILE 66 -13.352 -2.850 4.575 1115 HG12 ILE 66 HG12 ILE 66 -11.620 -1.189 4.167 1116 HG13 ILE 66 HG11 ILE 66 -12.911 -0.490 5.136 1117 HG21 ILE 66 HG21 ILE 66 -14.207 -1.841 6.660 1118 HG22 ILE 66 HG22 ILE 66 -12.795 -2.467 7.512 1119 HG23 ILE 66 HG23 ILE 66 -13.955 -3.582 6.788 1120 HD11 ILE 66 HD11 ILE 66 -10.257 -1.454 6.163 1121 HD12 ILE 66 HD12 ILE 66 -11.547 -0.745 7.137 1122 HD13 ILE 66 HD13 ILE 66 -10.733 0.224 5.908 1123 H ASN 67 HN ASN 67 -12.915 -5.078 3.804 1124 HA ASN 67 HA ASN 67 -13.934 -6.930 5.739 1125 HB2 ASN 67 HB2 ASN 67 -14.118 -6.835 2.731 1126 HB3 ASN 67 HB1 ASN 67 -14.857 -8.106 3.700 1127 HD21 ASN 67 HD21 ASN 67 -16.091 -6.132 1.964 1128 HD22 ASN 67 HD22 ASN 67 -17.206 -5.251 2.955 1129 H ALA 68 HN ALA 68 -11.258 -6.856 3.517 1130 HA ALA 68 HA ALA 68 -10.617 -9.602 3.541 1131 HB1 ALA 68 HB1 ALA 68 -9.615 -8.066 1.939 1132 HB2 ALA 68 HB2 ALA 68 -8.363 -8.890 2.869 1133 HB3 ALA 68 HB3 ALA 68 -8.787 -7.220 3.246 1134 H VAL 69 HN VAL 69 -9.437 -6.902 5.540 1135 HA VAL 69 HA VAL 69 -7.925 -8.438 7.349 1136 HB VAL 69 HB VAL 69 -9.333 -5.787 7.723 1137 HG11 VAL 69 HG11 VAL 69 -7.305 -7.122 9.513 1138 HG12 VAL 69 HG12 VAL 69 -8.993 -6.792 9.903 1139 HG13 VAL 69 HG13 VAL 69 -7.863 -5.457 9.672 1140 HG21 VAL 69 HG21 VAL 69 -7.580 -5.783 6.026 1141 HG22 VAL 69 HG22 VAL 69 -6.440 -6.456 7.192 1142 HG23 VAL 69 HG23 VAL 69 -7.100 -4.839 7.435 1143 H LYS 70 HN LYS 70 -11.284 -7.411 7.350 1144 HA LYS 70 HA LYS 70 -12.131 -8.327 9.821 1145 HB2 LYS 70 HB2 LYS 70 -13.467 -6.947 8.293 1146 HB3 LYS 70 HB1 LYS 70 -13.625 -8.305 7.194 1147 HG2 LYS 70 HG2 LYS 70 -14.918 -9.524 8.842 1148 HG3 LYS 70 HG1 LYS 70 -14.717 -8.200 9.995 1149 HD2 LYS 70 HD2 LYS 70 -16.106 -8.026 7.317 1150 HD3 LYS 70 HD1 LYS 70 -16.900 -8.085 8.895 1151 HE2 LYS 70 HE2 LYS 70 -15.911 -5.986 9.522 1152 HE3 LYS 70 HE1 LYS 70 -14.952 -5.947 8.043 1153 HZ1 LYS 70 HZ1 LYS 70 -17.920 -5.887 8.123 1154 HZ2 LYS 70 HZ2 LYS 70 -16.940 -5.698 6.754 1155 HZ3 LYS 70 HZ3 LYS 70 -16.934 -4.517 7.970 1156 H THR 71 HN THR 71 -12.223 -10.084 6.713 1157 HA THR 71 HA THR 71 -13.145 -12.510 7.927 1158 HB THR 71 HB THR 71 -11.932 -12.296 5.174 1159 HG1 THR 71 HG1 THR 71 -13.400 -10.656 5.147 1160 HG21 THR 71 HG21 THR 71 -13.627 -14.007 4.646 1161 HG22 THR 71 HG22 THR 71 -14.164 -13.981 6.326 1162 HG23 THR 71 HG23 THR 71 -12.538 -14.535 5.929 1163 H ARG 72 HN ARG 72 -10.103 -11.053 7.547 1164 HA ARG 72 HA ARG 72 -8.569 -13.506 7.633 1165 HE ARG 72 HE ARG 72 -3.592 -10.944 8.445 1166 HB2 ARG 72 HB2 ARG 72 -7.671 -11.581 6.448 1167 HB3 ARG 72 HB1 ARG 72 -7.769 -10.603 7.902 1168 HG2 ARG 72 HG2 ARG 72 -6.004 -11.813 8.934 1169 HG3 ARG 72 HG1 ARG 72 -6.025 -13.042 7.664 1170 HD2 ARG 72 HD2 ARG 72 -5.208 -11.505 6.046 1171 HD3 ARG 72 HD1 ARG 72 -5.446 -10.137 7.128 1172 HH11 ARG 72 HH11 ARG 72 -3.980 -12.430 5.294 1173 HH12 ARG 72 HH12 ARG 72 -2.316 -12.917 5.173 1174 HH21 ARG 72 HH21 ARG 72 -1.398 -11.555 8.273 1175 HH22 ARG 72 HH22 ARG 72 -0.857 -12.417 6.871 1176 H LEU 73 HN LEU 73 -9.818 -11.113 9.827 1177 HA LEU 73 HA LEU 73 -8.383 -12.149 12.111 1178 HG LEU 73 HG LEU 73 -10.411 -11.124 14.243 1179 HB2 LEU 73 HB2 LEU 73 -9.002 -9.763 11.944 1180 HB3 LEU 73 HB1 LEU 73 -10.695 -10.209 11.959 1181 HD11 LEU 73 HD11 LEU 73 -8.042 -11.666 14.136 1182 HD12 LEU 73 HD12 LEU 73 -8.379 -10.595 15.495 1183 HD13 LEU 73 HD13 LEU 73 -7.642 -9.952 14.029 1184 HD21 LEU 73 HD21 LEU 73 -10.240 -8.964 15.366 1185 HD22 LEU 73 HD22 LEU 73 -11.212 -8.847 13.899 1186 HD23 LEU 73 HD23 LEU 73 -9.551 -8.255 13.905 1187 H GLU 74 HN GLU 74 -11.634 -12.329 10.747 1188 HA GLU 74 HA GLU 74 -12.613 -13.978 12.892 1189 HB2 GLU 74 HB2 GLU 74 -13.817 -13.096 10.273 1190 HB3 GLU 74 HB1 GLU 74 -14.649 -14.171 11.390 1191 HG2 GLU 74 HG2 GLU 74 -14.618 -12.483 13.107 1192 HG3 GLU 74 HG1 GLU 74 -13.659 -11.416 12.084 1193 H HIS 75 HN HIS 75 -10.955 -15.571 12.720 1194 HA HIS 75 HA HIS 75 -10.823 -17.331 10.468 1195 HD1 HIS 75 HD1 HIS 75 -7.393 -18.535 10.793 1196 HD2 HIS 75 HD2 HIS 75 -10.477 -20.548 12.736 1197 HE1 HIS 75 HE1 HIS 75 -6.925 -20.982 10.466 1198 HE2 HIS 75 HE2 HIS 75 -8.705 -22.178 11.790 1199 HB2 HIS 75 HB2 HIS 75 -8.906 -16.983 11.989 1200 HB3 HIS 75 HB1 HIS 75 -9.824 -17.691 13.310 1201 H HIS 76 HN HIS 76 -12.762 -18.299 10.010 1202 HA HIS 76 HA HIS 76 -13.638 -20.358 11.823 1203 HD1 HIS 76 HD1 HIS 76 -16.911 -18.549 13.997 1204 HD2 HIS 76 HD2 HIS 76 -16.175 -21.661 11.335 1205 HE1 HIS 76 HE1 HIS 76 -18.418 -20.429 14.711 1206 HE2 HIS 76 HE2 HIS 76 -18.072 -22.238 12.992 1207 HB2 HIS 76 HB2 HIS 76 -14.815 -18.202 12.557 1208 HB3 HIS 76 HB1 HIS 76 -15.701 -18.298 11.041 1209 H HIS 77 HN HIS 77 -12.849 -21.490 9.894 1210 HA HIS 77 HA HIS 77 -15.123 -21.958 8.096 1211 HD1 HIS 77 HD1 HIS 77 -11.562 -19.493 6.789 1212 HD2 HIS 77 HD2 HIS 77 -15.609 -20.053 6.025 1213 HE1 HIS 77 HE1 HIS 77 -12.409 -17.271 5.967 1214 HE2 HIS 77 HE2 HIS 77 -14.796 -17.707 5.289 1215 HB2 HIS 77 HB2 HIS 77 -12.236 -21.811 7.174 1216 HB3 HIS 77 HB1 HIS 77 -13.595 -22.325 6.185 1217 H HIS 78 HN HIS 78 -15.738 -23.908 8.867 1218 HA HIS 78 HA HIS 78 -13.886 -26.123 8.572 1219 HD1 HIS 78 HD1 HIS 78 -11.686 -26.774 10.835 1220 HD2 HIS 78 HD2 HIS 78 -15.367 -28.643 11.404 1221 HE1 HIS 78 HE1 HIS 78 -11.159 -29.160 11.439 1222 HE2 HIS 78 HE2 HIS 78 -13.393 -30.269 11.807 1223 HB2 HIS 78 HB2 HIS 78 -13.685 -25.149 10.966 1224 HB3 HIS 78 HB1 HIS 78 -15.282 -25.833 11.230 1225 H HIS 79 HN HIS 79 -16.569 -24.990 7.619 1226 HA HIS 79 HA HIS 79 -17.910 -27.390 7.118 1227 HD1 HIS 79 HD1 HIS 79 -19.328 -29.428 9.353 1228 HD2 HIS 79 HD2 HIS 79 -21.741 -26.467 7.695 1229 HE1 HIS 79 HE1 HIS 79 -21.499 -30.559 8.773 1230 HE2 HIS 79 HE2 HIS 79 -23.010 -28.704 7.975 1231 HB2 HIS 79 HB2 HIS 79 -18.381 -27.108 9.631 1232 HB3 HIS 79 HB1 HIS 79 -19.394 -25.741 9.172 1233 H HIS 80 HN HIS 80 -18.166 -23.937 7.664 1234 HA HIS 80 HA HIS 80 -18.869 -23.495 4.938 1235 HD1 HIS 80 HD1 HIS 80 -21.575 -20.444 6.711 1236 HD2 HIS 80 HD2 HIS 80 -21.045 -23.975 8.844 1237 HE1 HIS 80 HE1 HIS 80 -22.296 -19.930 9.068 1238 HE2 HIS 80 HE2 HIS 80 -22.100 -22.119 10.306 1239 HB2 HIS 80 HB2 HIS 80 -20.980 -22.370 5.244 1240 HB3 HIS 80 HB1 HIS 80 -21.127 -23.979 5.934 Start of MODEL 12 1 HA MET 1 HA MET 1 6.355 25.314 0.192 2 H1 MET 1 HT1 MET 1 4.753 24.992 -1.562 3 H2 MET 1 HT2 MET 1 3.480 25.357 -0.502 4 H3 MET 1 HT3 MET 1 4.422 23.974 -0.244 5 HB2 MET 1 HB2 MET 1 4.424 27.604 -0.216 6 HB3 MET 1 HB1 MET 1 5.994 27.777 0.553 7 HG2 MET 1 HG2 MET 1 7.097 27.056 -1.481 8 HG3 MET 1 HG1 MET 1 5.533 26.820 -2.260 9 HE1 MET 1 HE1 MET 1 7.911 28.606 -3.489 10 HE2 MET 1 HE2 MET 1 6.966 29.959 -4.108 11 HE3 MET 1 HE3 MET 1 6.362 28.311 -4.277 12 H ALA 2 HN ALA 2 5.937 23.961 1.965 13 HA ALA 2 HA ALA 2 5.053 25.413 4.312 14 HB1 ALA 2 HB1 ALA 2 3.501 23.659 5.049 15 HB2 ALA 2 HB2 ALA 2 3.721 22.822 3.513 16 HB3 ALA 2 HB3 ALA 2 2.963 24.414 3.548 17 H GLN 3 HN GLN 3 5.657 24.299 6.296 18 HA GLN 3 HA GLN 3 8.006 22.621 5.915 19 HB2 GLN 3 HB2 GLN 3 8.277 22.979 8.407 20 HB3 GLN 3 HB1 GLN 3 8.398 24.418 7.407 21 HG2 GLN 3 HG2 GLN 3 5.998 24.882 7.951 22 HG3 GLN 3 HG1 GLN 3 6.078 23.559 9.112 23 HE21 GLN 3 HE21 GLN 3 5.604 26.421 9.521 24 HE22 GLN 3 HE22 GLN 3 6.816 26.947 10.638 25 H HIS 4 HN HIS 4 8.126 20.518 6.413 26 HA HIS 4 HA HIS 4 6.062 19.197 7.953 27 HD1 HIS 4 HD1 HIS 4 7.593 17.272 4.290 28 HD2 HIS 4 HD2 HIS 4 5.450 20.799 3.817 29 HE1 HIS 4 HE1 HIS 4 8.259 18.169 2.043 30 HE2 HIS 4 HE2 HIS 4 7.142 20.419 1.898 31 HB2 HIS 4 HB2 HIS 4 5.561 17.617 5.987 32 HB3 HIS 4 HB1 HIS 4 4.806 19.206 5.971 33 H SER 5 HN SER 5 7.715 18.432 9.252 34 HA SER 5 HA SER 5 9.082 16.105 8.169 35 HG SER 5 HG SER 5 11.098 17.063 7.078 36 HB2 SER 5 HB2 SER 5 10.524 18.394 9.526 37 HB3 SER 5 HB1 SER 5 11.228 16.792 9.300 38 H LYS 6 HN LYS 6 9.420 14.494 9.661 39 HA LYS 6 HA LYS 6 8.637 15.063 12.437 40 HB2 LYS 6 HB2 LYS 6 7.868 12.686 10.742 41 HB3 LYS 6 HB1 LYS 6 7.719 12.701 12.494 42 HG2 LYS 6 HG2 LYS 6 6.211 14.641 12.324 43 HG3 LYS 6 HG1 LYS 6 6.319 14.541 10.564 44 HD2 LYS 6 HD2 LYS 6 5.279 12.399 10.547 45 HD3 LYS 6 HD1 LYS 6 5.392 12.263 12.301 46 HE2 LYS 6 HE2 LYS 6 3.867 14.212 12.499 47 HE3 LYS 6 HE1 LYS 6 3.688 14.203 10.744 48 HZ1 LYS 6 HZ1 LYS 6 2.684 12.059 10.831 49 HZ2 LYS 6 HZ2 LYS 6 1.885 13.039 11.966 50 HZ3 LYS 6 HZ3 LYS 6 3.024 11.891 12.485 51 H TYR 7 HN TYR 7 9.732 12.023 10.980 52 HA TYR 7 HA TYR 7 11.941 11.921 12.850 53 HD1 TYR 7 HD2 TYR 7 11.453 9.413 14.271 54 HD2 TYR 7 HD1 TYR 7 8.928 9.663 10.856 55 HE1 TYR 7 HE2 TYR 7 9.607 8.432 15.568 56 HE2 TYR 7 HE1 TYR 7 7.082 8.680 12.141 57 HH TYR 7 HH TYR 7 6.783 7.235 14.124 58 HB2 TYR 7 HB2 TYR 7 11.260 9.985 10.622 59 HB3 TYR 7 HB1 TYR 7 12.367 9.697 11.958 60 H SER 8 HN SER 8 12.093 10.953 9.470 61 HA SER 8 HA SER 8 13.737 13.192 8.715 62 HG SER 8 HG SER 8 14.977 12.144 10.522 63 HB2 SER 8 HB2 SER 8 14.791 10.345 8.589 64 HB3 SER 8 HB1 SER 8 15.587 11.762 7.910 65 H ASP 9 HN ASP 9 12.203 13.715 7.191 66 HA ASP 9 HA ASP 9 10.895 11.700 5.639 67 HB2 ASP 9 HB2 ASP 9 9.853 13.613 4.439 68 HB3 ASP 9 HB1 ASP 9 9.657 13.690 6.184 69 H ALA 10 HN ALA 10 13.853 13.279 5.391 70 HA ALA 10 HA ALA 10 14.121 12.966 2.528 71 HB1 ALA 10 HB1 ALA 10 16.219 13.469 4.641 72 HB2 ALA 10 HB2 ALA 10 15.411 14.696 3.665 73 HB3 ALA 10 HB3 ALA 10 16.483 13.523 2.899 74 H GLN 11 HN GLN 11 15.075 11.275 5.464 75 HA GLN 11 HA GLN 11 16.339 9.052 4.291 76 HB2 GLN 11 HB2 GLN 11 16.521 9.441 6.663 77 HB3 GLN 11 HB1 GLN 11 14.779 9.353 6.865 78 HG2 GLN 11 HG2 GLN 11 15.801 7.346 7.689 79 HG3 GLN 11 HG1 GLN 11 14.842 6.980 6.259 80 HE21 GLN 11 HE21 GLN 11 15.880 6.396 4.349 81 HE22 GLN 11 HE22 GLN 11 17.540 5.888 4.315 82 H LEU 12 HN LEU 12 12.964 9.789 4.985 83 HA LEU 12 HA LEU 12 11.749 7.409 4.247 84 HG LEU 12 HG LEU 12 9.597 8.644 2.346 85 HB2 LEU 12 HB2 LEU 12 10.459 9.218 5.178 86 HB3 LEU 12 HB1 LEU 12 10.854 10.260 3.823 87 HD11 LEU 12 HD11 LEU 12 7.965 7.182 3.450 88 HD12 LEU 12 HD12 LEU 12 8.697 7.566 5.009 89 HD13 LEU 12 HD13 LEU 12 9.629 6.708 3.783 90 HD21 LEU 12 HD21 LEU 12 8.046 10.029 4.526 91 HD22 LEU 12 HD22 LEU 12 7.407 9.518 2.960 92 HD23 LEU 12 HD23 LEU 12 8.649 10.772 3.045 93 H SER 13 HN SER 13 12.542 10.196 2.186 94 HA SER 13 HA SER 13 11.671 9.187 -0.240 95 HG SER 13 HG SER 13 12.209 11.935 1.137 96 HB2 SER 13 HB2 SER 13 14.031 11.013 0.261 97 HB3 SER 13 HB1 SER 13 13.188 10.818 -1.276 98 H ALA 14 HN ALA 14 14.748 8.685 1.423 99 HA ALA 14 HA ALA 14 16.086 7.399 -0.707 100 HB1 ALA 14 HB1 ALA 14 17.671 6.648 0.982 101 HB2 ALA 14 HB2 ALA 14 16.547 7.118 2.258 102 HB3 ALA 14 HB3 ALA 14 17.258 8.348 1.215 103 H ILE 15 HN ILE 15 13.883 6.235 1.773 104 HA ILE 15 HA ILE 15 14.441 3.462 1.359 105 HB ILE 15 HB ILE 15 12.024 4.780 2.613 106 HG12 ILE 15 HG12 ILE 15 14.488 3.559 3.888 107 HG13 ILE 15 HG11 ILE 15 14.160 5.285 3.756 108 HG21 ILE 15 HG21 ILE 15 11.608 2.591 3.645 109 HG22 ILE 15 HG22 ILE 15 12.952 1.908 2.731 110 HG23 ILE 15 HG23 ILE 15 11.525 2.507 1.885 111 HD11 ILE 15 HD11 ILE 15 13.660 4.458 5.981 112 HD12 ILE 15 HD12 ILE 15 12.524 3.289 5.306 113 HD13 ILE 15 HD13 ILE 15 12.194 5.017 5.175 114 H VAL 16 HN VAL 16 11.903 5.690 0.280 115 HA VAL 16 HA VAL 16 10.461 3.746 -1.210 116 HB VAL 16 HB VAL 16 10.385 6.617 -2.037 117 HG11 VAL 16 HG11 VAL 16 8.202 4.608 -1.509 118 HG12 VAL 16 HG12 VAL 16 8.941 4.908 -3.084 119 HG13 VAL 16 HG13 VAL 16 8.025 6.184 -2.282 120 HG21 VAL 16 HG21 VAL 16 8.910 7.190 -0.168 121 HG22 VAL 16 HG22 VAL 16 10.528 6.767 0.393 122 HG23 VAL 16 HG23 VAL 16 9.209 5.608 0.551 123 H ASN 17 HN ASN 17 13.076 5.969 -1.958 124 HA ASN 17 HA ASN 17 13.081 5.741 -4.751 125 HB2 ASN 17 HB2 ASN 17 14.361 7.455 -3.541 126 HB3 ASN 17 HB1 ASN 17 15.430 6.211 -2.897 127 HD21 ASN 17 HD21 ASN 17 14.473 7.989 -5.717 128 HD22 ASN 17 HD22 ASN 17 15.841 7.581 -6.698 129 H ASP 18 HN ASP 18 14.728 3.800 -2.281 130 HA ASP 18 HA ASP 18 16.136 2.156 -4.097 131 HB2 ASP 18 HB2 ASP 18 16.529 2.472 -1.557 132 HB3 ASP 18 HB1 ASP 18 15.235 1.301 -1.343 133 H MET 19 HN MET 19 13.078 1.846 -2.345 134 HA MET 19 HA MET 19 12.234 -0.644 -3.169 135 HB2 MET 19 HB2 MET 19 11.026 0.711 -1.530 136 HB3 MET 19 HB1 MET 19 10.562 1.848 -2.788 137 HG2 MET 19 HG2 MET 19 9.352 -0.032 -3.913 138 HG3 MET 19 HG1 MET 19 9.674 -1.007 -2.482 139 HE1 MET 19 HE1 MET 19 7.745 1.049 0.279 140 HE2 MET 19 HE2 MET 19 9.426 1.285 -0.200 141 HE3 MET 19 HE3 MET 19 8.777 -0.346 -0.032 142 H ILE 20 HN ILE 20 11.837 2.453 -4.868 143 HA ILE 20 HA ILE 20 10.383 1.448 -7.061 144 HB ILE 20 HB ILE 20 12.231 3.841 -6.948 145 HG12 ILE 20 HG12 ILE 20 9.222 3.663 -6.658 146 HG13 ILE 20 HG11 ILE 20 10.350 3.888 -5.327 147 HG21 ILE 20 HG21 ILE 20 11.858 3.183 -9.245 148 HG22 ILE 20 HG22 ILE 20 10.946 4.652 -8.895 149 HG23 ILE 20 HG23 ILE 20 10.118 3.096 -8.968 150 HD11 ILE 20 HD11 ILE 20 11.057 6.019 -6.299 151 HD12 ILE 20 HD12 ILE 20 9.328 5.989 -5.953 152 HD13 ILE 20 HD13 ILE 20 9.900 5.793 -7.610 153 H ALA 21 HN ALA 21 13.858 1.846 -6.524 154 HA ALA 21 HA ALA 21 14.677 1.009 -9.101 155 HB1 ALA 21 HB1 ALA 21 16.890 0.768 -8.124 156 HB2 ALA 21 HB2 ALA 21 16.203 0.857 -6.503 157 HB3 ALA 21 HB3 ALA 21 16.134 2.262 -7.566 158 H VAL 22 HN VAL 22 14.200 -0.706 -6.044 159 HA VAL 22 HA VAL 22 15.038 -3.256 -6.864 160 HB VAL 22 HB VAL 22 12.800 -2.676 -4.912 161 HG11 VAL 22 HG11 VAL 22 14.701 -5.003 -5.129 162 HG12 VAL 22 HG12 VAL 22 12.988 -5.014 -5.547 163 HG13 VAL 22 HG13 VAL 22 13.485 -4.778 -3.871 164 HG21 VAL 22 HG21 VAL 22 14.549 -2.718 -3.159 165 HG22 VAL 22 HG22 VAL 22 14.704 -1.342 -4.255 166 HG23 VAL 22 HG23 VAL 22 15.776 -2.737 -4.425 167 H LEU 23 HN LEU 23 11.857 -1.713 -6.938 168 HA LEU 23 HA LEU 23 10.381 -3.825 -8.023 169 HG LEU 23 HG LEU 23 8.546 -2.153 -9.905 170 HB2 LEU 23 HB2 LEU 23 9.379 -1.826 -7.021 171 HB3 LEU 23 HB1 LEU 23 9.990 -0.848 -8.340 172 HD11 LEU 23 HD11 LEU 23 6.737 -3.497 -8.959 173 HD12 LEU 23 HD12 LEU 23 7.432 -3.298 -7.350 174 HD13 LEU 23 HD13 LEU 23 8.318 -4.183 -8.591 175 HD21 LEU 23 HD21 LEU 23 6.451 -1.081 -9.208 176 HD22 LEU 23 HD22 LEU 23 7.831 0.007 -9.068 177 HD23 LEU 23 HD23 LEU 23 7.157 -0.752 -7.625 178 H GLU 24 HN GLU 24 12.062 -1.137 -9.630 179 HA GLU 24 HA GLU 24 11.273 -1.835 -12.255 180 HB2 GLU 24 HB2 GLU 24 12.233 0.393 -11.413 181 HB3 GLU 24 HB1 GLU 24 13.812 -0.366 -11.566 182 HG2 GLU 24 HG2 GLU 24 13.135 -0.873 -13.974 183 HG3 GLU 24 HG1 GLU 24 11.833 0.285 -13.717 184 H LYS 25 HN LYS 25 13.779 -2.971 -10.157 185 HA LYS 25 HA LYS 25 15.480 -4.080 -12.143 186 HB2 LYS 25 HB2 LYS 25 16.324 -3.605 -9.923 187 HB3 LYS 25 HB1 LYS 25 15.172 -4.724 -9.206 188 HG2 LYS 25 HG2 LYS 25 16.271 -6.593 -10.313 189 HG3 LYS 25 HG1 LYS 25 17.408 -5.481 -11.077 190 HD2 LYS 25 HD2 LYS 25 17.095 -5.892 -8.103 191 HD3 LYS 25 HD1 LYS 25 18.366 -6.596 -9.103 192 HE2 LYS 25 HE2 LYS 25 19.035 -4.269 -9.738 193 HE3 LYS 25 HE1 LYS 25 17.883 -3.677 -8.541 194 HZ1 LYS 25 HZ1 LYS 25 19.102 -4.857 -6.824 195 HZ2 LYS 25 HZ2 LYS 25 20.131 -3.791 -7.652 196 HZ3 LYS 25 HZ3 LYS 25 20.197 -5.453 -7.979 197 H HIS 26 HN HIS 26 12.779 -5.401 -10.244 198 HA HIS 26 HA HIS 26 13.280 -8.025 -11.419 199 HD1 HIS 26 HD1 HIS 26 12.479 -8.314 -6.914 200 HD2 HIS 26 HD2 HIS 26 14.531 -9.342 -10.388 201 HE1 HIS 26 HE1 HIS 26 14.548 -9.517 -6.157 202 HE2 HIS 26 HE2 HIS 26 15.872 -9.941 -8.259 203 HB2 HIS 26 HB2 HIS 26 11.668 -7.076 -9.093 204 HB3 HIS 26 HB1 HIS 26 11.255 -8.614 -9.851 205 H LYS 27 HN LYS 27 11.558 -5.359 -12.261 206 HA LYS 27 HA LYS 27 10.020 -4.939 -13.861 207 HB2 LYS 27 HB2 LYS 27 11.170 -7.521 -14.651 208 HB3 LYS 27 HB1 LYS 27 9.580 -7.203 -15.330 209 HG2 LYS 27 HG2 LYS 27 11.354 -6.462 -16.825 210 HG3 LYS 27 HG1 LYS 27 10.377 -5.104 -16.264 211 HD2 LYS 27 HD2 LYS 27 12.125 -4.683 -14.522 212 HD3 LYS 27 HD1 LYS 27 13.119 -5.911 -15.308 213 HE2 LYS 27 HE2 LYS 27 13.133 -4.624 -17.362 214 HE3 LYS 27 HE1 LYS 27 12.057 -3.425 -16.644 215 HZ1 LYS 27 HZ1 LYS 27 14.840 -4.038 -15.820 216 HZ2 LYS 27 HZ2 LYS 27 13.808 -2.992 -14.977 217 HZ3 LYS 27 HZ3 LYS 27 14.285 -2.616 -16.557 218 H ALA 28 HN ALA 28 8.340 -4.617 -12.417 219 HA ALA 28 HA ALA 28 6.276 -6.698 -12.644 220 HB1 ALA 28 HB1 ALA 28 6.718 -4.882 -10.272 221 HB2 ALA 28 HB2 ALA 28 7.023 -6.616 -10.326 222 HB3 ALA 28 HB3 ALA 28 5.375 -6.006 -10.469 223 HA PRO 29 HA PRO 29 4.425 -3.264 -14.906 224 HB2 PRO 29 HB2 PRO 29 2.104 -4.656 -15.454 225 HB3 PRO 29 HB1 PRO 29 3.572 -4.734 -16.435 226 HG2 PRO 29 HG2 PRO 29 2.589 -6.623 -14.337 227 HG3 PRO 29 HG1 PRO 29 3.361 -6.976 -15.893 228 HD2 PRO 29 HD2 PRO 29 4.727 -7.114 -13.586 229 HD3 PRO 29 HD1 PRO 29 5.488 -6.537 -15.083 230 H VAL 30 HN VAL 30 2.293 -2.134 -14.757 231 HA VAL 30 HA VAL 30 1.863 -1.238 -12.164 232 HB VAL 30 HB VAL 30 1.280 0.042 -14.175 233 HG11 VAL 30 HG11 VAL 30 0.301 -1.684 -15.544 234 HG12 VAL 30 HG12 VAL 30 -0.859 -0.373 -15.326 235 HG13 VAL 30 HG13 VAL 30 -1.038 -1.868 -14.410 236 HG21 VAL 30 HG21 VAL 30 -1.026 -0.348 -12.273 237 HG22 VAL 30 HG22 VAL 30 -0.811 1.031 -13.351 238 HG23 VAL 30 HG23 VAL 30 0.345 0.738 -12.052 239 H ASP 31 HN ASP 31 0.376 -3.902 -13.816 240 HA ASP 31 HA ASP 31 -1.822 -4.190 -12.008 241 HB2 ASP 31 HB2 ASP 31 -1.881 -5.046 -14.334 242 HB3 ASP 31 HB1 ASP 31 -0.632 -6.215 -13.917 243 H LEU 32 HN LEU 32 1.046 -6.236 -12.571 244 HA LEU 32 HA LEU 32 0.757 -7.824 -10.302 245 HG LEU 32 HG LEU 32 1.540 -8.556 -13.106 246 HB2 LEU 32 HB2 LEU 32 3.182 -7.138 -11.942 247 HB3 LEU 32 HB1 LEU 32 3.233 -8.285 -10.618 248 HD11 LEU 32 HD11 LEU 32 4.022 -10.029 -12.228 249 HD12 LEU 32 HD12 LEU 32 3.922 -8.861 -13.546 250 HD13 LEU 32 HD13 LEU 32 3.054 -10.394 -13.657 251 HD21 LEU 32 HD21 LEU 32 0.477 -9.561 -11.154 252 HD22 LEU 32 HD22 LEU 32 1.962 -10.440 -10.787 253 HD23 LEU 32 HD23 LEU 32 1.064 -10.803 -12.261 254 H SER 33 HN SER 33 2.511 -4.763 -10.694 255 HA SER 33 HA SER 33 3.869 -4.888 -8.217 256 HG SER 33 HG SER 33 3.024 -2.657 -11.072 257 HB2 SER 33 HB2 SER 33 4.117 -2.396 -8.521 258 HB3 SER 33 HB1 SER 33 4.660 -3.362 -9.892 259 H LEU 34 HN LEU 34 0.752 -3.534 -9.169 260 HA LEU 34 HA LEU 34 0.096 -2.391 -6.678 261 HG LEU 34 HG LEU 34 -1.728 -0.876 -7.059 262 HB2 LEU 34 HB2 LEU 34 -1.006 -2.234 -9.082 263 HB3 LEU 34 HB1 LEU 34 -2.008 -3.529 -8.465 264 HD11 LEU 34 HD11 LEU 34 -3.845 -1.743 -9.022 265 HD12 LEU 34 HD12 LEU 34 -2.602 -0.528 -9.319 266 HD13 LEU 34 HD13 LEU 34 -3.838 -0.244 -8.092 267 HD21 LEU 34 HD21 LEU 34 -3.780 -3.079 -6.873 268 HD22 LEU 34 HD22 LEU 34 -3.840 -1.544 -6.009 269 HD23 LEU 34 HD23 LEU 34 -2.551 -2.696 -5.667 270 H ILE 35 HN ILE 35 -0.283 -5.623 -8.022 271 HA ILE 35 HA ILE 35 -1.853 -6.701 -5.929 272 HB ILE 35 HB ILE 35 0.080 -8.151 -7.751 273 HG12 ILE 35 HG12 ILE 35 -2.902 -7.700 -8.033 274 HG13 ILE 35 HG11 ILE 35 -1.661 -6.873 -8.970 275 HG21 ILE 35 HG21 ILE 35 -2.220 -9.173 -6.089 276 HG22 ILE 35 HG22 ILE 35 -0.506 -9.490 -5.820 277 HG23 ILE 35 HG23 ILE 35 -1.306 -10.127 -7.257 278 HD11 ILE 35 HD11 ILE 35 -0.986 -8.987 -9.958 279 HD12 ILE 35 HD12 ILE 35 -2.703 -8.684 -10.225 280 HD13 ILE 35 HD13 ILE 35 -2.191 -9.837 -8.991 281 H ALA 36 HN ALA 36 1.663 -6.526 -6.436 282 HA ALA 36 HA ALA 36 2.470 -7.932 -4.167 283 HB1 ALA 36 HB1 ALA 36 3.838 -5.601 -5.507 284 HB2 ALA 36 HB2 ALA 36 4.003 -7.295 -5.965 285 HB3 ALA 36 HB3 ALA 36 4.596 -6.743 -4.398 286 H LEU 37 HN LEU 37 1.961 -4.443 -4.612 287 HA LEU 37 HA LEU 37 2.401 -3.678 -1.953 288 HG LEU 37 HG LEU 37 3.054 -1.394 -2.385 289 HB2 LEU 37 HB2 LEU 37 0.985 -2.482 -4.280 290 HB3 LEU 37 HB1 LEU 37 0.635 -1.817 -2.697 291 HD11 LEU 37 HD11 LEU 37 3.258 -2.208 -5.276 292 HD12 LEU 37 HD12 LEU 37 3.964 -3.056 -3.900 293 HD13 LEU 37 HD13 LEU 37 4.535 -1.444 -4.331 294 HD21 LEU 37 HD21 LEU 37 1.559 0.365 -3.144 295 HD22 LEU 37 HD22 LEU 37 1.813 -0.128 -4.819 296 HD23 LEU 37 HD23 LEU 37 3.152 0.535 -3.882 297 H GLY 38 HN GLY 38 -0.549 -4.648 -3.617 298 HA2 GLY 38 HA2 GLY 38 -2.395 -4.289 -1.565 299 HA3 GLY 38 HA1 GLY 38 -2.527 -5.502 -2.829 300 H ASN 39 HN ASN 39 -0.582 -7.278 -2.345 301 HA ASN 39 HA ASN 39 -1.501 -8.797 -0.185 302 HB2 ASN 39 HB2 ASN 39 0.969 -8.898 -1.878 303 HB3 ASN 39 HB1 ASN 39 0.845 -9.942 -0.468 304 HD21 ASN 39 HD21 ASN 39 -0.417 -9.222 -3.628 305 HD22 ASN 39 HD22 ASN 39 -1.307 -10.695 -3.817 306 H MET 40 HN MET 40 1.322 -6.679 -0.438 307 HA MET 40 HA MET 40 2.367 -7.187 2.121 308 HB2 MET 40 HB2 MET 40 3.628 -6.092 0.300 309 HB3 MET 40 HB1 MET 40 2.609 -4.668 0.464 310 HG2 MET 40 HG2 MET 40 3.428 -4.348 2.745 311 HG3 MET 40 HG1 MET 40 4.453 -5.773 2.573 312 HE1 MET 40 HE1 MET 40 5.613 -2.967 3.489 313 HE2 MET 40 HE2 MET 40 7.080 -2.888 2.519 314 HE3 MET 40 HE3 MET 40 6.602 -4.413 3.263 315 H ALA 41 HN ALA 41 0.209 -4.611 0.964 316 HA ALA 41 HA ALA 41 -0.055 -3.209 3.363 317 HB1 ALA 41 HB1 ALA 41 -0.787 -2.332 1.194 318 HB2 ALA 41 HB2 ALA 41 -2.076 -2.246 2.394 319 HB3 ALA 41 HB3 ALA 41 -2.101 -3.507 1.162 320 H SER 42 HN SER 42 -2.052 -5.839 2.042 321 HA SER 42 HA SER 42 -3.982 -5.880 4.067 322 HG SER 42 HG SER 42 -5.661 -7.908 3.101 323 HB2 SER 42 HB2 SER 42 -4.158 -7.065 1.871 324 HB3 SER 42 HB1 SER 42 -2.989 -8.249 2.458 325 H ASN 43 HN ASN 43 -1.057 -7.875 3.702 326 HA ASN 43 HA ASN 43 -1.267 -9.267 6.126 327 HB2 ASN 43 HB2 ASN 43 0.221 -10.062 4.421 328 HB3 ASN 43 HB1 ASN 43 1.119 -8.550 4.415 329 HD21 ASN 43 HD21 ASN 43 2.635 -8.163 5.998 330 HD22 ASN 43 HD22 ASN 43 3.209 -9.395 7.066 331 H LEU 44 HN LEU 44 0.167 -6.161 5.348 332 HA LEU 44 HA LEU 44 1.557 -5.817 7.790 333 HG LEU 44 HG LEU 44 1.389 -2.712 7.932 334 HB2 LEU 44 HB2 LEU 44 2.095 -4.621 5.702 335 HB3 LEU 44 HB1 LEU 44 0.590 -3.733 5.836 336 HD11 LEU 44 HD11 LEU 44 3.714 -2.973 8.602 337 HD12 LEU 44 HD12 LEU 44 3.965 -4.149 7.313 338 HD13 LEU 44 HD13 LEU 44 2.870 -4.522 8.645 339 HD21 LEU 44 HD21 LEU 44 3.256 -2.409 5.583 340 HD22 LEU 44 HD22 LEU 44 3.079 -1.260 6.909 341 HD23 LEU 44 HD23 LEU 44 1.728 -1.560 5.814 342 H LEU 45 HN LEU 45 -1.535 -4.477 6.618 343 HA LEU 45 HA LEU 45 -2.073 -2.969 8.949 344 HG LEU 45 HG LEU 45 -2.337 -2.457 5.892 345 HB2 LEU 45 HB2 LEU 45 -3.955 -4.041 6.847 346 HB3 LEU 45 HB1 LEU 45 -4.393 -2.861 8.065 347 HD11 LEU 45 HD11 LEU 45 -4.620 -2.494 5.041 348 HD12 LEU 45 HD12 LEU 45 -3.944 -0.865 4.980 349 HD13 LEU 45 HD13 LEU 45 -5.095 -1.297 6.245 350 HD21 LEU 45 HD21 LEU 45 -1.758 -1.248 7.928 351 HD22 LEU 45 HD22 LEU 45 -3.378 -0.554 7.988 352 HD23 LEU 45 HD23 LEU 45 -2.289 -0.138 6.665 353 H THR 46 HN THR 46 -2.597 -6.317 8.170 354 HA THR 46 HA THR 46 -4.413 -6.646 10.427 355 HB THR 46 HB THR 46 -4.471 -9.055 9.690 356 HG1 THR 46 HG1 THR 46 -3.294 -8.212 7.268 357 HG21 THR 46 HG21 THR 46 -5.843 -8.615 7.704 358 HG22 THR 46 HG22 THR 46 -5.193 -6.977 7.621 359 HG23 THR 46 HG23 THR 46 -6.190 -7.463 8.994 360 H THR 47 HN THR 47 -1.354 -6.110 10.466 361 HA THR 47 HA THR 47 -0.808 -8.103 12.549 362 HB THR 47 HB THR 47 1.177 -7.283 10.419 363 HG1 THR 47 HG1 THR 47 -0.018 -8.809 9.452 364 HG21 THR 47 HG21 THR 47 2.656 -8.938 11.451 365 HG22 THR 47 HG22 THR 47 1.452 -9.236 12.705 366 HG23 THR 47 HG23 THR 47 2.240 -7.661 12.594 367 H SER 48 HN SER 48 0.278 -5.027 11.094 368 HA SER 48 HA SER 48 1.938 -4.481 13.391 369 HG SER 48 HG SER 48 1.051 -3.547 9.993 370 HB2 SER 48 HB2 SER 48 2.473 -2.365 12.130 371 HB3 SER 48 HB1 SER 48 2.828 -3.859 11.261 372 H VAL 49 HN VAL 49 -0.528 -2.454 11.795 373 HA VAL 49 HA VAL 49 -0.774 -0.632 13.887 374 HB VAL 49 HB VAL 49 -2.901 0.073 12.834 375 HG11 VAL 49 HG11 VAL 49 -0.768 0.908 11.993 376 HG12 VAL 49 HG12 VAL 49 -1.948 0.745 10.693 377 HG13 VAL 49 HG13 VAL 49 -0.670 -0.456 10.880 378 HG21 VAL 49 HG21 VAL 49 -3.776 -2.089 12.166 379 HG22 VAL 49 HG22 VAL 49 -2.453 -2.287 11.017 380 HG23 VAL 49 HG23 VAL 49 -3.651 -1.018 10.769 381 HA PRO 50 HA PRO 50 -2.957 -2.512 17.195 382 HB2 PRO 50 HB2 PRO 50 -4.776 -0.394 17.621 383 HB3 PRO 50 HB1 PRO 50 -3.219 -0.627 18.418 384 HG2 PRO 50 HG2 PRO 50 -3.928 1.105 16.109 385 HG3 PRO 50 HG1 PRO 50 -2.714 1.355 17.378 386 HD2 PRO 50 HD2 PRO 50 -2.011 0.648 14.892 387 HD3 PRO 50 HD1 PRO 50 -1.143 0.022 16.310 388 H GLN 51 HN GLN 51 -4.302 -4.128 16.820 389 HA GLN 51 HA GLN 51 -6.103 -4.303 14.707 390 HB2 GLN 51 HB2 GLN 51 -6.939 -6.329 15.795 391 HB3 GLN 51 HB1 GLN 51 -5.182 -6.261 15.851 392 HG2 GLN 51 HG2 GLN 51 -5.259 -5.527 18.161 393 HG3 GLN 51 HG1 GLN 51 -7.020 -5.511 18.114 394 HE21 GLN 51 HE21 GLN 51 -5.234 -6.980 19.853 395 HE22 GLN 51 HE22 GLN 51 -5.629 -8.655 19.648 396 H THR 52 HN THR 52 -6.593 -3.191 17.986 397 HA THR 52 HA THR 52 -9.365 -3.410 18.157 398 HB THR 52 HB THR 52 -7.701 -1.252 19.453 399 HG1 THR 52 HG1 THR 52 -8.072 -3.440 20.998 400 HG21 THR 52 HG21 THR 52 -9.337 -1.425 21.245 401 HG22 THR 52 HG22 THR 52 -10.176 -2.712 20.381 402 HG23 THR 52 HG23 THR 52 -10.147 -1.078 19.716 403 H GLN 53 HN GLN 53 -7.356 -0.947 16.666 404 HA GLN 53 HA GLN 53 -9.808 0.466 15.841 405 HB2 GLN 53 HB2 GLN 53 -8.520 2.569 15.882 406 HB3 GLN 53 HB1 GLN 53 -8.608 1.818 17.469 407 HG2 GLN 53 HG2 GLN 53 -6.333 0.860 17.041 408 HG3 GLN 53 HG1 GLN 53 -6.260 1.859 15.589 409 HE21 GLN 53 HE21 GLN 53 -6.101 4.106 15.809 410 HE22 GLN 53 HE22 GLN 53 -5.631 4.845 17.299 411 H CYS 54 HN CYS 54 -8.131 -1.674 14.608 412 HA CYS 54 HA CYS 54 -6.461 -0.665 12.604 413 HG CYS 54 HG CYS 54 -5.147 -3.562 11.148 414 HB2 CYS 54 HB2 CYS 54 -6.442 -3.015 13.293 415 HB3 CYS 54 HB1 CYS 54 -8.052 -3.237 12.617 416 H GLU 55 HN GLU 55 -9.901 -1.595 12.410 417 HA GLU 55 HA GLU 55 -10.185 -1.061 9.669 418 HB2 GLU 55 HB2 GLU 55 -12.630 -0.974 10.144 419 HB3 GLU 55 HB1 GLU 55 -11.829 -2.406 10.773 420 HG2 GLU 55 HG2 GLU 55 -11.885 -1.548 12.999 421 HG3 GLU 55 HG1 GLU 55 -12.455 0.021 12.431 422 H ALA 56 HN ALA 56 -10.346 1.028 12.463 423 HA ALA 56 HA ALA 56 -11.491 3.265 11.117 424 HB1 ALA 56 HB1 ALA 56 -10.831 4.540 13.096 425 HB2 ALA 56 HB2 ALA 56 -9.873 3.172 13.662 426 HB3 ALA 56 HB3 ALA 56 -11.627 3.033 13.545 427 H LEU 57 HN LEU 57 -8.202 2.234 11.895 428 HA LEU 57 HA LEU 57 -6.906 4.533 10.856 429 HG LEU 57 HG LEU 57 -6.510 2.749 13.378 430 HB2 LEU 57 HB2 LEU 57 -5.875 1.722 11.235 431 HB3 LEU 57 HB1 LEU 57 -4.876 3.115 10.865 432 HD11 LEU 57 HD11 LEU 57 -4.333 2.536 14.479 433 HD12 LEU 57 HD12 LEU 57 -3.536 2.609 12.907 434 HD13 LEU 57 HD13 LEU 57 -4.597 1.255 13.297 435 HD21 LEU 57 HD21 LEU 57 -6.341 5.090 12.770 436 HD22 LEU 57 HD22 LEU 57 -4.597 4.934 12.560 437 HD23 LEU 57 HD23 LEU 57 -5.312 4.751 14.162 438 H ALA 58 HN ALA 58 -7.861 1.442 9.467 439 HA ALA 58 HA ALA 58 -6.596 1.714 6.974 440 HB1 ALA 58 HB1 ALA 58 -7.559 -0.391 7.774 441 HB2 ALA 58 HB2 ALA 58 -8.183 0.045 6.182 442 HB3 ALA 58 HB3 ALA 58 -9.177 0.292 7.617 443 H GLN 59 HN GLN 59 -9.828 2.691 8.071 444 HA GLN 59 HA GLN 59 -10.653 3.822 5.619 445 HB2 GLN 59 HB2 GLN 59 -11.557 4.090 8.459 446 HB3 GLN 59 HB1 GLN 59 -12.200 5.179 7.237 447 HG2 GLN 59 HG2 GLN 59 -12.313 2.175 7.091 448 HG3 GLN 59 HG1 GLN 59 -13.628 3.213 7.645 449 HE21 GLN 59 HE21 GLN 59 -14.711 4.511 6.162 450 HE22 GLN 59 HE22 GLN 59 -14.605 4.243 4.455 451 H ALA 60 HN ALA 60 -8.891 5.119 8.366 452 HA ALA 60 HA ALA 60 -8.910 7.825 7.584 453 HB1 ALA 60 HB1 ALA 60 -8.268 7.149 9.826 454 HB2 ALA 60 HB2 ALA 60 -6.964 8.064 9.071 455 HB3 ALA 60 HB3 ALA 60 -6.855 6.307 9.191 456 H PHE 61 HN PHE 61 -6.686 5.159 6.871 457 HA PHE 61 HA PHE 61 -4.824 6.721 5.412 458 HD1 PHE 61 HD2 PHE 61 -2.291 5.631 5.998 459 HD2 PHE 61 HD1 PHE 61 -4.306 3.484 2.920 460 HE1 PHE 61 HE2 PHE 61 -0.222 5.598 4.666 461 HE2 PHE 61 HE1 PHE 61 -2.241 3.442 1.596 462 HZ PHE 61 HZ PHE 61 -0.196 4.501 2.464 463 HB2 PHE 61 HB2 PHE 61 -4.417 4.426 6.412 464 HB3 PHE 61 HB1 PHE 61 -5.325 3.762 5.059 465 H SER 62 HN SER 62 -7.556 4.676 4.410 466 HA SER 62 HA SER 62 -7.160 4.941 1.646 467 HG SER 62 HG SER 62 -10.540 3.681 3.521 468 HB2 SER 62 HB2 SER 62 -9.534 4.216 1.454 469 HB3 SER 62 HB1 SER 62 -8.590 3.199 2.539 470 H ASN 63 HN ASN 63 -9.373 6.699 3.809 471 HA ASN 63 HA ASN 63 -10.471 8.384 1.864 472 HB2 ASN 63 HB2 ASN 63 -10.224 8.584 4.844 473 HB3 ASN 63 HB1 ASN 63 -10.856 9.945 3.923 474 HD21 ASN 63 HD21 ASN 63 -11.349 6.576 3.066 475 HD22 ASN 63 HD22 ASN 63 -13.053 6.559 3.360 476 H SER 64 HN SER 64 -7.564 8.768 3.829 477 HA SER 64 HA SER 64 -6.991 11.422 3.092 478 HG SER 64 HG SER 64 -6.260 9.611 5.648 479 HB2 SER 64 HB2 SER 64 -5.113 9.181 3.879 480 HB3 SER 64 HB1 SER 64 -4.644 10.876 3.739 481 H LEU 65 HN LEU 65 -6.207 8.324 1.577 482 HA LEU 65 HA LEU 65 -4.642 9.396 -0.528 483 HG LEU 65 HG LEU 65 -4.433 6.807 1.218 484 HB2 LEU 65 HB2 LEU 65 -6.263 6.850 -0.408 485 HB3 LEU 65 HB1 LEU 65 -5.132 7.246 -1.688 486 HD11 LEU 65 HD11 LEU 65 -3.899 5.131 -1.232 487 HD12 LEU 65 HD12 LEU 65 -5.057 4.760 0.045 488 HD13 LEU 65 HD13 LEU 65 -3.331 4.792 0.402 489 HD21 LEU 65 HD21 LEU 65 -2.115 6.966 0.488 490 HD22 LEU 65 HD22 LEU 65 -2.975 8.467 0.147 491 HD23 LEU 65 HD23 LEU 65 -2.641 7.327 -1.156 492 H ILE 66 HN ILE 66 -8.080 8.642 -0.204 493 HA ILE 66 HA ILE 66 -8.894 9.137 -2.828 494 HB ILE 66 HB ILE 66 -10.531 9.807 -0.378 495 HG12 ILE 66 HG12 ILE 66 -9.699 7.566 -0.060 496 HG13 ILE 66 HG11 ILE 66 -11.392 7.474 -0.530 497 HG21 ILE 66 HG21 ILE 66 -11.333 8.962 -3.158 498 HG22 ILE 66 HG22 ILE 66 -11.502 10.573 -2.461 499 HG23 ILE 66 HG23 ILE 66 -12.439 9.228 -1.810 500 HD11 ILE 66 HD11 ILE 66 -10.752 6.864 -2.785 501 HD12 ILE 66 HD12 ILE 66 -10.026 5.766 -1.610 502 HD13 ILE 66 HD13 ILE 66 -9.048 7.027 -2.361 503 H ASN 67 HN ASN 67 -8.622 11.349 -0.071 504 HA ASN 67 HA ASN 67 -9.504 13.610 -1.617 505 HB2 ASN 67 HB2 ASN 67 -8.347 13.387 1.165 506 HB3 ASN 67 HB1 ASN 67 -8.903 14.900 0.452 507 HD21 ASN 67 HD21 ASN 67 -9.887 13.407 2.790 508 HD22 ASN 67 HD22 ASN 67 -11.564 13.112 2.488 509 H ALA 68 HN ALA 68 -6.469 12.104 -0.903 510 HA ALA 68 HA ALA 68 -4.784 14.284 -1.566 511 HB1 ALA 68 HB1 ALA 68 -3.043 12.598 -1.913 512 HB2 ALA 68 HB2 ALA 68 -4.260 11.324 -1.854 513 HB3 ALA 68 HB3 ALA 68 -3.934 12.296 -0.420 514 H VAL 69 HN VAL 69 -6.225 11.658 -3.459 515 HA VAL 69 HA VAL 69 -5.192 12.347 -5.971 516 HB VAL 69 HB VAL 69 -7.888 11.122 -5.335 517 HG11 VAL 69 HG11 VAL 69 -7.816 12.021 -7.601 518 HG12 VAL 69 HG12 VAL 69 -7.831 10.258 -7.621 519 HG13 VAL 69 HG13 VAL 69 -6.327 11.131 -7.916 520 HG21 VAL 69 HG21 VAL 69 -5.230 9.845 -5.966 521 HG22 VAL 69 HG22 VAL 69 -6.762 8.982 -5.829 522 HG23 VAL 69 HG23 VAL 69 -6.082 9.800 -4.422 523 H LYS 70 HN LYS 70 -8.169 13.379 -4.332 524 HA LYS 70 HA LYS 70 -9.172 15.106 -6.271 525 HB2 LYS 70 HB2 LYS 70 -9.311 15.249 -3.261 526 HB3 LYS 70 HB1 LYS 70 -10.176 16.363 -4.309 527 HG2 LYS 70 HG2 LYS 70 -11.378 14.465 -5.303 528 HG3 LYS 70 HG1 LYS 70 -10.534 13.375 -4.196 529 HD2 LYS 70 HD2 LYS 70 -11.518 14.486 -2.292 530 HD3 LYS 70 HD1 LYS 70 -12.271 15.689 -3.340 531 HE2 LYS 70 HE2 LYS 70 -13.897 14.030 -2.640 532 HE3 LYS 70 HE1 LYS 70 -13.618 13.923 -4.378 533 HZ1 LYS 70 HZ1 LYS 70 -12.131 12.195 -2.508 534 HZ2 LYS 70 HZ2 LYS 70 -12.456 11.947 -4.158 535 HZ3 LYS 70 HZ3 LYS 70 -13.693 11.775 -3.009 536 H THR 71 HN THR 71 -6.701 15.648 -3.822 537 HA THR 71 HA THR 71 -6.445 18.441 -4.284 538 HB THR 71 HB THR 71 -4.451 16.545 -3.024 539 HG1 THR 71 HG1 THR 71 -6.409 16.448 -1.906 540 HG21 THR 71 HG21 THR 71 -3.466 18.715 -3.593 541 HG22 THR 71 HG22 THR 71 -3.642 18.545 -1.846 542 HG23 THR 71 HG23 THR 71 -4.780 19.539 -2.755 543 H ARG 72 HN ARG 72 -5.165 15.623 -5.848 544 HA ARG 72 HA ARG 72 -3.036 17.021 -7.209 545 HE ARG 72 HE ARG 72 -1.372 13.995 -4.280 546 HB2 ARG 72 HB2 ARG 72 -4.272 14.341 -7.877 547 HB3 ARG 72 HB1 ARG 72 -2.742 14.961 -8.478 548 HG2 ARG 72 HG2 ARG 72 -3.356 14.313 -5.606 549 HG3 ARG 72 HG1 ARG 72 -2.453 13.288 -6.720 550 HD2 ARG 72 HD2 ARG 72 -0.731 14.984 -6.929 551 HD3 ARG 72 HD1 ARG 72 -1.655 16.077 -5.897 552 HH11 ARG 72 HH11 ARG 72 0.988 15.537 -6.351 553 HH12 ARG 72 HH12 ARG 72 2.329 15.196 -5.290 554 HH21 ARG 72 HH21 ARG 72 0.379 13.531 -2.889 555 HH22 ARG 72 HH22 ARG 72 1.982 14.053 -3.315 556 H LEU 73 HN LEU 73 -6.393 16.422 -7.664 557 HA LEU 73 HA LEU 73 -6.349 17.072 -10.498 558 HG LEU 73 HG LEU 73 -7.297 14.521 -8.893 559 HB2 LEU 73 HB2 LEU 73 -8.686 16.553 -8.656 560 HB3 LEU 73 HB1 LEU 73 -8.763 16.686 -10.401 561 HD11 LEU 73 HD11 LEU 73 -9.082 13.052 -9.650 562 HD12 LEU 73 HD12 LEU 73 -9.902 14.419 -10.402 563 HD13 LEU 73 HD13 LEU 73 -9.725 14.354 -8.649 564 HD21 LEU 73 HD21 LEU 73 -7.830 14.891 -11.837 565 HD22 LEU 73 HD22 LEU 73 -7.132 13.450 -11.100 566 HD23 LEU 73 HD23 LEU 73 -6.263 14.984 -11.035 567 H GLU 74 HN GLU 74 -7.405 18.458 -7.443 568 HA GLU 74 HA GLU 74 -8.782 20.669 -8.530 569 HB2 GLU 74 HB2 GLU 74 -9.056 19.743 -6.214 570 HB3 GLU 74 HB1 GLU 74 -7.508 20.464 -5.799 571 HG2 GLU 74 HG2 GLU 74 -9.430 21.818 -5.078 572 HG3 GLU 74 HG1 GLU 74 -8.367 22.671 -6.197 573 H HIS 75 HN HIS 75 -8.185 22.911 -8.379 574 HA HIS 75 HA HIS 75 -5.277 23.372 -8.647 575 HD1 HIS 75 HD1 HIS 75 -8.770 23.223 -11.356 576 HD2 HIS 75 HD2 HIS 75 -4.666 22.691 -11.770 577 HE1 HIS 75 HE1 HIS 75 -8.489 21.503 -13.164 578 HE2 HIS 75 HE2 HIS 75 -6.016 21.044 -13.248 579 HB2 HIS 75 HB2 HIS 75 -7.431 24.932 -10.093 580 HB3 HIS 75 HB1 HIS 75 -5.696 24.989 -10.372 581 H HIS 76 HN HIS 76 -4.487 25.302 -7.666 582 HA HIS 76 HA HIS 76 -6.497 26.661 -6.000 583 HD1 HIS 76 HD1 HIS 76 -2.225 25.021 -5.858 584 HD2 HIS 76 HD2 HIS 76 -3.056 28.885 -4.549 585 HE1 HIS 76 HE1 HIS 76 -0.009 26.208 -5.776 586 HE2 HIS 76 HE2 HIS 76 -0.518 28.497 -4.853 587 HB2 HIS 76 HB2 HIS 76 -5.013 26.894 -4.234 588 HB3 HIS 76 HB1 HIS 76 -4.591 25.309 -4.856 589 H HIS 77 HN HIS 77 -6.732 28.789 -6.125 590 HA HIS 77 HA HIS 77 -4.831 30.292 -7.820 591 HD1 HIS 77 HD1 HIS 77 -6.442 30.695 -10.998 592 HD2 HIS 77 HD2 HIS 77 -8.132 27.927 -8.396 593 HE1 HIS 77 HE1 HIS 77 -7.114 28.736 -12.430 594 HE2 HIS 77 HE2 HIS 77 -8.374 27.204 -10.867 595 HB2 HIS 77 HB2 HIS 77 -7.824 30.745 -7.655 596 HB3 HIS 77 HB1 HIS 77 -6.690 31.593 -8.696 597 H HIS 78 HN HIS 78 -4.974 32.688 -7.393 598 HA HIS 78 HA HIS 78 -5.170 34.561 -6.125 599 HD1 HIS 78 HD1 HIS 78 -7.766 36.339 -6.025 600 HD2 HIS 78 HD2 HIS 78 -6.904 34.740 -2.287 601 HE1 HIS 78 HE1 HIS 78 -8.181 38.201 -4.379 602 HE2 HIS 78 HE2 HIS 78 -7.423 37.271 -2.163 603 HB2 HIS 78 HB2 HIS 78 -7.559 33.787 -6.006 604 HB3 HIS 78 HB1 HIS 78 -7.174 33.003 -4.480 605 H HIS 79 HN HIS 79 -3.002 34.316 -5.379 606 HA HIS 79 HA HIS 79 -2.600 33.002 -2.819 607 HD1 HIS 79 HD1 HIS 79 -0.351 34.104 -6.630 608 HD2 HIS 79 HD2 HIS 79 0.055 36.492 -3.251 609 HE1 HIS 79 HE1 HIS 79 0.609 36.277 -7.444 610 HE2 HIS 79 HE2 HIS 79 1.038 37.620 -5.361 611 HB2 HIS 79 HB2 HIS 79 -0.249 33.580 -3.041 612 HB3 HIS 79 HB1 HIS 79 -0.834 32.852 -4.527 613 H HIS 80 HN HIS 80 -3.226 36.178 -3.992 614 HA HIS 80 HA HIS 80 -2.956 37.192 -1.243 615 HD1 HIS 80 HD1 HIS 80 -1.513 39.422 -0.186 616 HD2 HIS 80 HD2 HIS 80 -3.478 41.152 -3.421 617 HE1 HIS 80 HE1 HIS 80 -2.098 41.761 0.543 618 HE2 HIS 80 HE2 HIS 80 -3.194 42.825 -1.468 619 HB2 HIS 80 HB2 HIS 80 -1.205 38.209 -2.592 620 HB3 HIS 80 HB1 HIS 80 -2.381 38.687 -3.812 621 HA MET 1 HA MET 1 -3.520 -11.845 -18.838 622 H1 MET 1 HT1 MET 1 -4.406 -9.428 -20.293 623 H2 MET 1 HT2 MET 1 -4.131 -9.532 -18.622 624 H3 MET 1 HT3 MET 1 -5.378 -10.435 -19.331 625 HB2 MET 1 HB2 MET 1 -4.068 -11.272 -21.743 626 HB3 MET 1 HB1 MET 1 -2.997 -12.576 -21.249 627 HG2 MET 1 HG2 MET 1 -5.887 -12.292 -20.470 628 HG3 MET 1 HG1 MET 1 -5.248 -13.376 -21.703 629 HE1 MET 1 HE1 MET 1 -3.040 -15.813 -19.548 630 HE2 MET 1 HE2 MET 1 -2.512 -14.325 -20.335 631 HE3 MET 1 HE3 MET 1 -3.611 -15.423 -21.170 632 H ALA 2 HN ALA 2 -1.330 -12.419 -19.177 633 HA ALA 2 HA ALA 2 0.395 -10.251 -20.147 634 HB1 ALA 2 HB1 ALA 2 1.934 -10.621 -18.290 635 HB2 ALA 2 HB2 ALA 2 0.846 -11.833 -17.614 636 HB3 ALA 2 HB3 ALA 2 0.343 -10.144 -17.698 637 H GLN 3 HN GLN 3 2.279 -10.928 -21.157 638 HA GLN 3 HA GLN 3 2.325 -13.772 -21.856 639 HB2 GLN 3 HB2 GLN 3 3.700 -11.436 -23.200 640 HB3 GLN 3 HB1 GLN 3 3.703 -13.098 -23.771 641 HG2 GLN 3 HG2 GLN 3 1.176 -11.521 -23.417 642 HG3 GLN 3 HG1 GLN 3 2.111 -11.489 -24.906 643 HE21 GLN 3 HE21 GLN 3 1.740 -14.369 -22.917 644 HE22 GLN 3 HE22 GLN 3 0.769 -15.239 -24.051 645 H HIS 4 HN HIS 4 4.371 -14.867 -21.986 646 HA HIS 4 HA HIS 4 6.372 -15.569 -21.179 647 HD1 HIS 4 HD1 HIS 4 9.434 -14.499 -22.125 648 HD2 HIS 4 HD2 HIS 4 6.214 -12.109 -23.213 649 HE1 HIS 4 HE1 HIS 4 9.864 -13.828 -24.509 650 HE2 HIS 4 HE2 HIS 4 8.047 -12.162 -25.031 651 HB2 HIS 4 HB2 HIS 4 6.746 -12.662 -20.444 652 HB3 HIS 4 HB1 HIS 4 7.972 -13.895 -20.180 653 H SER 5 HN SER 5 5.651 -13.055 -18.775 654 HA SER 5 HA SER 5 5.728 -15.039 -16.667 655 HG SER 5 HG SER 5 7.509 -13.518 -16.811 656 HB2 SER 5 HB2 SER 5 5.186 -12.063 -16.501 657 HB3 SER 5 HB1 SER 5 5.550 -13.137 -15.147 658 H LYS 6 HN LYS 6 3.964 -16.293 -16.963 659 HA LYS 6 HA LYS 6 1.358 -15.228 -17.527 660 HB2 LYS 6 HB2 LYS 6 0.712 -17.682 -17.269 661 HB3 LYS 6 HB1 LYS 6 1.858 -17.299 -18.547 662 HG2 LYS 6 HG2 LYS 6 3.701 -18.017 -17.108 663 HG3 LYS 6 HG1 LYS 6 2.549 -18.406 -15.831 664 HD2 LYS 6 HD2 LYS 6 2.553 -19.658 -18.573 665 HD3 LYS 6 HD1 LYS 6 3.296 -20.378 -17.143 666 HE2 LYS 6 HE2 LYS 6 1.103 -20.362 -16.028 667 HE3 LYS 6 HE1 LYS 6 0.377 -19.705 -17.496 668 HZ1 LYS 6 HZ1 LYS 6 1.010 -21.688 -18.681 669 HZ2 LYS 6 HZ2 LYS 6 0.101 -22.115 -17.309 670 HZ3 LYS 6 HZ3 LYS 6 1.784 -22.312 -17.309 671 H TYR 7 HN TYR 7 1.900 -13.951 -15.365 672 HA TYR 7 HA TYR 7 1.374 -13.468 -13.215 673 HD1 TYR 7 HD2 TYR 7 -0.797 -12.435 -11.705 674 HD2 TYR 7 HD1 TYR 7 -1.724 -13.807 -15.624 675 HE1 TYR 7 HE2 TYR 7 -1.956 -10.314 -12.163 676 HE2 TYR 7 HE1 TYR 7 -2.892 -11.692 -16.092 677 HH TYR 7 HH TYR 7 -2.713 -8.974 -13.907 678 HB2 TYR 7 HB2 TYR 7 -0.833 -15.317 -14.009 679 HB3 TYR 7 HB1 TYR 7 -0.690 -14.849 -12.318 680 H SER 8 HN SER 8 3.528 -14.826 -13.234 681 HA SER 8 HA SER 8 3.570 -17.306 -11.936 682 HG SER 8 HG SER 8 5.481 -16.854 -14.077 683 HB2 SER 8 HB2 SER 8 5.797 -15.304 -11.754 684 HB3 SER 8 HB1 SER 8 5.891 -17.054 -11.962 685 H ASP 9 HN ASP 9 2.633 -17.519 -9.999 686 HA ASP 9 HA ASP 9 2.508 -15.585 -7.972 687 HB2 ASP 9 HB2 ASP 9 2.015 -17.442 -6.449 688 HB3 ASP 9 HB1 ASP 9 1.138 -17.648 -7.962 689 H ALA 10 HN ALA 10 5.054 -17.421 -9.213 690 HA ALA 10 HA ALA 10 6.701 -17.478 -6.845 691 HB1 ALA 10 HB1 ALA 10 7.437 -17.945 -9.737 692 HB2 ALA 10 HB2 ALA 10 6.925 -19.186 -8.594 693 HB3 ALA 10 HB3 ALA 10 8.440 -18.320 -8.335 694 H GLN 11 HN GLN 11 6.508 -15.577 -9.823 695 HA GLN 11 HA GLN 11 8.673 -13.850 -9.182 696 HB2 GLN 11 HB2 GLN 11 6.393 -13.672 -11.133 697 HB3 GLN 11 HB1 GLN 11 7.485 -12.316 -10.889 698 HG2 GLN 11 HG2 GLN 11 8.264 -15.079 -11.794 699 HG3 GLN 11 HG1 GLN 11 8.151 -13.638 -12.805 700 HE21 GLN 11 HE21 GLN 11 9.679 -11.973 -12.534 701 HE22 GLN 11 HE22 GLN 11 11.209 -12.276 -11.770 702 H LEU 12 HN LEU 12 5.168 -13.668 -8.717 703 HA LEU 12 HA LEU 12 5.077 -11.060 -7.690 704 HG LEU 12 HG LEU 12 3.055 -11.342 -5.486 705 HB2 LEU 12 HB2 LEU 12 3.069 -12.363 -8.329 706 HB3 LEU 12 HB1 LEU 12 3.308 -13.386 -6.923 707 HD11 LEU 12 HD11 LEU 12 3.614 -9.662 -7.149 708 HD12 LEU 12 HD12 LEU 12 2.009 -9.367 -6.475 709 HD13 LEU 12 HD13 LEU 12 2.176 -10.085 -8.079 710 HD21 LEU 12 HD21 LEU 12 1.204 -12.902 -5.818 711 HD22 LEU 12 HD22 LEU 12 0.709 -12.010 -7.257 712 HD23 LEU 12 HD23 LEU 12 0.631 -11.237 -5.671 713 H SER 13 HN SER 13 5.167 -14.155 -5.912 714 HA SER 13 HA SER 13 5.285 -13.122 -3.352 715 HG SER 13 HG SER 13 4.445 -15.741 -4.812 716 HB2 SER 13 HB2 SER 13 6.616 -15.639 -4.371 717 HB3 SER 13 HB1 SER 13 6.259 -15.275 -2.682 718 H ALA 14 HN ALA 14 7.938 -13.735 -5.609 719 HA ALA 14 HA ALA 14 10.052 -13.185 -3.839 720 HB1 ALA 14 HB1 ALA 14 11.413 -12.880 -5.849 721 HB2 ALA 14 HB2 ALA 14 9.951 -12.829 -6.835 722 HB3 ALA 14 HB3 ALA 14 10.389 -14.308 -5.978 723 H ILE 15 HN ILE 15 8.198 -11.077 -6.005 724 HA ILE 15 HA ILE 15 9.827 -8.787 -5.485 725 HB ILE 15 HB ILE 15 7.182 -9.121 -6.890 726 HG12 ILE 15 HG12 ILE 15 9.992 -8.543 -7.855 727 HG13 ILE 15 HG11 ILE 15 9.154 -10.084 -7.980 728 HG21 ILE 15 HG21 ILE 15 7.463 -6.807 -7.696 729 HG22 ILE 15 HG22 ILE 15 8.822 -6.605 -6.590 730 HG23 ILE 15 HG23 ILE 15 7.202 -6.888 -5.954 731 HD11 ILE 15 HD11 ILE 15 7.559 -9.123 -9.516 732 HD12 ILE 15 HD12 ILE 15 9.208 -8.854 -10.092 733 HD13 ILE 15 HD13 ILE 15 8.309 -7.536 -9.336 734 H VAL 16 HN VAL 16 6.711 -9.958 -4.233 735 HA VAL 16 HA VAL 16 6.169 -7.652 -2.669 736 HB VAL 16 HB VAL 16 5.363 -10.414 -1.780 737 HG11 VAL 16 HG11 VAL 16 3.398 -9.285 -0.957 738 HG12 VAL 16 HG12 VAL 16 3.922 -7.772 -1.695 739 HG13 VAL 16 HG13 VAL 16 4.842 -8.467 -0.359 740 HG21 VAL 16 HG21 VAL 16 4.870 -10.370 -4.152 741 HG22 VAL 16 HG22 VAL 16 4.067 -8.812 -3.979 742 HG23 VAL 16 HG23 VAL 16 3.376 -10.249 -3.223 743 H ASN 17 HN ASN 17 8.123 -10.518 -2.205 744 HA ASN 17 HA ASN 17 8.765 -9.996 0.525 745 HB2 ASN 17 HB2 ASN 17 9.715 -11.907 -1.542 746 HB3 ASN 17 HB1 ASN 17 10.817 -11.551 -0.216 747 HD21 ASN 17 HD21 ASN 17 7.800 -12.991 -1.127 748 HD22 ASN 17 HD22 ASN 17 7.507 -13.817 0.372 749 H ASP 18 HN ASP 18 10.058 -8.931 -2.551 750 HA ASP 18 HA ASP 18 12.521 -7.930 -1.695 751 HB2 ASP 18 HB2 ASP 18 10.617 -6.933 -3.816 752 HB3 ASP 18 HB1 ASP 18 12.157 -6.147 -3.496 753 H MET 19 HN MET 19 9.419 -6.210 -2.007 754 HA MET 19 HA MET 19 10.143 -3.837 -0.785 755 HB2 MET 19 HB2 MET 19 7.542 -5.293 -1.010 756 HB3 MET 19 HB1 MET 19 7.633 -3.861 0.004 757 HG2 MET 19 HG2 MET 19 6.823 -3.286 -2.190 758 HG3 MET 19 HG1 MET 19 8.403 -2.557 -1.918 759 HE1 MET 19 HE1 MET 19 8.387 -3.282 -5.769 760 HE2 MET 19 HE2 MET 19 8.574 -2.055 -4.516 761 HE3 MET 19 HE3 MET 19 7.003 -2.810 -4.780 762 H ILE 20 HN ILE 20 8.859 -6.757 0.785 763 HA ILE 20 HA ILE 20 8.845 -5.667 3.392 764 HB ILE 20 HB ILE 20 9.027 -8.566 2.554 765 HG12 ILE 20 HG12 ILE 20 6.628 -6.893 3.344 766 HG13 ILE 20 HG11 ILE 20 7.037 -7.361 1.696 767 HG21 ILE 20 HG21 ILE 20 9.741 -8.250 4.865 768 HG22 ILE 20 HG22 ILE 20 8.183 -9.072 4.797 769 HG23 ILE 20 HG23 ILE 20 8.258 -7.360 5.212 770 HD11 ILE 20 HD11 ILE 20 5.289 -8.776 2.580 771 HD12 ILE 20 HD12 ILE 20 6.311 -9.223 3.948 772 HD13 ILE 20 HD13 ILE 20 6.758 -9.716 2.314 773 H ALA 21 HN ALA 21 11.230 -7.728 1.730 774 HA ALA 21 HA ALA 21 12.916 -8.001 3.986 775 HB1 ALA 21 HB1 ALA 21 12.913 -9.592 2.123 776 HB2 ALA 21 HB2 ALA 21 14.528 -8.969 2.460 777 HB3 ALA 21 HB3 ALA 21 13.618 -8.359 1.078 778 H VAL 22 HN VAL 22 13.010 -5.811 1.188 779 HA VAL 22 HA VAL 22 15.539 -4.697 1.772 780 HB VAL 22 HB VAL 22 13.223 -3.475 0.259 781 HG11 VAL 22 HG11 VAL 22 14.878 -1.978 -0.746 782 HG12 VAL 22 HG12 VAL 22 16.129 -2.655 0.299 783 HG13 VAL 22 HG13 VAL 22 14.787 -1.751 1.001 784 HG21 VAL 22 HG21 VAL 22 13.970 -5.542 -0.754 785 HG22 VAL 22 HG22 VAL 22 15.650 -5.003 -0.687 786 HG23 VAL 22 HG23 VAL 22 14.501 -4.177 -1.740 787 H LEU 23 HN LEU 23 12.252 -3.692 2.671 788 HA LEU 23 HA LEU 23 13.121 -1.360 4.064 789 HG LEU 23 HG LEU 23 11.171 0.095 3.578 790 HB2 LEU 23 HB2 LEU 23 10.560 -2.853 3.824 791 HB3 LEU 23 HB1 LEU 23 10.737 -1.738 5.164 792 HD11 LEU 23 HD11 LEU 23 10.604 -1.962 1.450 793 HD12 LEU 23 HD12 LEU 23 12.155 -1.180 1.756 794 HD13 LEU 23 HD13 LEU 23 10.782 -0.227 1.189 795 HD21 LEU 23 HD21 LEU 23 8.899 -0.314 4.352 796 HD22 LEU 23 HD22 LEU 23 8.634 -1.439 3.020 797 HD23 LEU 23 HD23 LEU 23 8.901 0.273 2.690 798 H GLU 24 HN GLU 24 12.649 -4.703 4.936 799 HA GLU 24 HA GLU 24 12.707 -4.403 7.740 800 HB2 GLU 24 HB2 GLU 24 11.968 -6.445 6.502 801 HB3 GLU 24 HB1 GLU 24 13.646 -6.763 6.098 802 HG2 GLU 24 HG2 GLU 24 12.807 -6.505 8.952 803 HG3 GLU 24 HG1 GLU 24 12.540 -8.008 8.073 804 H LYS 25 HN LYS 25 15.242 -4.747 5.315 805 HA LYS 25 HA LYS 25 17.377 -5.230 7.085 806 HB2 LYS 25 HB2 LYS 25 17.451 -3.929 4.363 807 HB3 LYS 25 HB1 LYS 25 18.840 -4.577 5.224 808 HG2 LYS 25 HG2 LYS 25 16.470 -6.141 4.231 809 HG3 LYS 25 HG1 LYS 25 18.090 -6.128 3.532 810 HD2 LYS 25 HD2 LYS 25 19.009 -7.240 5.403 811 HD3 LYS 25 HD1 LYS 25 17.565 -6.955 6.377 812 HE2 LYS 25 HE2 LYS 25 17.649 -8.675 3.901 813 HE3 LYS 25 HE1 LYS 25 17.769 -9.290 5.550 814 HZ1 LYS 25 HZ1 LYS 25 15.509 -9.441 4.676 815 HZ2 LYS 25 HZ2 LYS 25 15.468 -7.757 4.466 816 HZ3 LYS 25 HZ3 LYS 25 15.585 -8.411 6.027 817 H HIS 26 HN HIS 26 16.066 -2.196 5.782 818 HA HIS 26 HA HIS 26 18.000 -0.623 7.262 819 HD1 HIS 26 HD1 HIS 26 16.550 2.062 8.248 820 HD2 HIS 26 HD2 HIS 26 18.300 2.222 4.480 821 HE1 HIS 26 HE1 HIS 26 17.790 4.251 8.168 822 HE2 HIS 26 HE2 HIS 26 19.043 4.194 5.981 823 HB2 HIS 26 HB2 HIS 26 16.852 0.030 5.023 824 HB3 HIS 26 HB1 HIS 26 15.481 0.478 6.031 825 H LYS 27 HN LYS 27 14.856 -1.920 7.613 826 HA LYS 27 HA LYS 27 13.420 -2.138 9.312 827 HB2 LYS 27 HB2 LYS 27 15.519 -2.958 10.388 828 HB3 LYS 27 HB1 LYS 27 15.732 -1.359 11.082 829 HG2 LYS 27 HG2 LYS 27 13.934 -1.595 12.514 830 HG3 LYS 27 HG1 LYS 27 13.198 -2.868 11.543 831 HD2 LYS 27 HD2 LYS 27 15.832 -3.255 12.934 832 HD3 LYS 27 HD1 LYS 27 14.298 -3.550 13.749 833 HE2 LYS 27 HE2 LYS 27 15.028 -5.644 12.912 834 HE3 LYS 27 HE1 LYS 27 13.719 -5.114 11.861 835 HZ1 LYS 27 HZ1 LYS 27 16.626 -4.916 11.263 836 HZ2 LYS 27 HZ2 LYS 27 15.377 -4.368 10.256 837 HZ3 LYS 27 HZ3 LYS 27 15.535 -6.021 10.574 838 H ALA 28 HN ALA 28 12.280 -0.323 8.471 839 HA ALA 28 HA ALA 28 12.497 2.151 9.989 840 HB1 ALA 28 HB1 ALA 28 12.095 2.286 7.581 841 HB2 ALA 28 HB2 ALA 28 10.757 2.989 8.490 842 HB3 ALA 28 HB3 ALA 28 10.593 1.385 7.775 843 HA PRO 29 HA PRO 29 9.631 0.804 13.025 844 HB2 PRO 29 HB2 PRO 29 8.981 3.166 14.144 845 HB3 PRO 29 HB1 PRO 29 10.604 2.478 14.288 846 HG2 PRO 29 HG2 PRO 29 9.603 4.571 12.386 847 HG3 PRO 29 HG1 PRO 29 11.084 4.576 13.365 848 HD2 PRO 29 HD2 PRO 29 11.070 3.899 10.748 849 HD3 PRO 29 HD1 PRO 29 12.190 3.166 11.913 850 H VAL 30 HN VAL 30 8.333 0.735 10.576 851 HA VAL 30 HA VAL 30 6.206 0.464 9.818 852 HB VAL 30 HB VAL 30 5.325 1.654 12.457 853 HG11 VAL 30 HG11 VAL 30 3.737 0.214 10.328 854 HG12 VAL 30 HG12 VAL 30 3.591 1.914 10.772 855 HG13 VAL 30 HG13 VAL 30 3.131 0.661 11.923 856 HG21 VAL 30 HG21 VAL 30 6.525 -0.423 12.775 857 HG22 VAL 30 HG22 VAL 30 5.565 -1.208 11.521 858 HG23 VAL 30 HG23 VAL 30 4.801 -0.702 13.028 859 H ASP 31 HN ASP 31 6.552 3.615 11.468 860 HA ASP 31 HA ASP 31 4.706 5.089 10.029 861 HB2 ASP 31 HB2 ASP 31 7.397 5.969 11.090 862 HB3 ASP 31 HB1 ASP 31 6.183 7.079 10.467 863 H LEU 32 HN LEU 32 8.191 5.108 9.357 864 HA LEU 32 HA LEU 32 7.960 6.409 6.886 865 HG LEU 32 HG LEU 32 9.803 6.615 9.372 866 HB2 LEU 32 HB2 LEU 32 10.191 4.657 7.926 867 HB3 LEU 32 HB1 LEU 32 10.311 5.720 6.533 868 HD11 LEU 32 HD11 LEU 32 12.059 7.546 9.247 869 HD12 LEU 32 HD12 LEU 32 12.269 6.814 7.656 870 HD13 LEU 32 HD13 LEU 32 12.064 5.792 9.080 871 HD21 LEU 32 HD21 LEU 32 10.142 8.871 8.490 872 HD22 LEU 32 HD22 LEU 32 8.748 8.087 7.746 873 HD23 LEU 32 HD23 LEU 32 10.267 8.213 6.858 874 H SER 33 HN SER 33 7.980 3.005 7.728 875 HA SER 33 HA SER 33 8.245 1.905 5.167 876 HG SER 33 HG SER 33 8.856 -0.207 7.711 877 HB2 SER 33 HB2 SER 33 6.499 0.738 7.337 878 HB3 SER 33 HB1 SER 33 7.462 -0.115 6.130 879 H LEU 34 HN LEU 34 5.399 2.926 6.999 880 HA LEU 34 HA LEU 34 3.497 2.066 5.070 881 HG LEU 34 HG LEU 34 1.097 3.466 5.657 882 HB2 LEU 34 HB2 LEU 34 3.215 2.544 7.603 883 HB3 LEU 34 HB1 LEU 34 2.996 4.211 7.108 884 HD11 LEU 34 HD11 LEU 34 0.137 1.238 6.140 885 HD12 LEU 34 HD12 LEU 34 1.578 0.855 7.087 886 HD13 LEU 34 HD13 LEU 34 1.713 1.154 5.354 887 HD21 LEU 34 HD21 LEU 34 -0.472 3.156 7.518 888 HD22 LEU 34 HD22 LEU 34 0.697 4.433 7.856 889 HD23 LEU 34 HD23 LEU 34 0.885 2.846 8.603 890 H ILE 35 HN ILE 35 5.034 5.169 5.810 891 HA ILE 35 HA ILE 35 3.466 6.685 3.998 892 HB ILE 35 HB ILE 35 6.247 7.362 4.973 893 HG12 ILE 35 HG12 ILE 35 3.561 8.079 6.179 894 HG13 ILE 35 HG11 ILE 35 4.666 6.875 6.833 895 HG21 ILE 35 HG21 ILE 35 5.530 9.680 4.575 896 HG22 ILE 35 HG22 ILE 35 3.998 9.090 3.930 897 HG23 ILE 35 HG23 ILE 35 5.509 8.725 3.094 898 HD11 ILE 35 HD11 ILE 35 6.331 8.612 7.225 899 HD12 ILE 35 HD12 ILE 35 4.812 8.978 8.044 900 HD13 ILE 35 HD13 ILE 35 5.233 9.818 6.552 901 H ALA 36 HN ALA 36 6.500 4.908 3.641 902 HA ALA 36 HA ALA 36 7.178 5.763 1.063 903 HB1 ALA 36 HB1 ALA 36 8.417 3.638 0.883 904 HB2 ALA 36 HB2 ALA 36 7.625 3.067 2.353 905 HB3 ALA 36 HB3 ALA 36 8.714 4.455 2.418 906 H LEU 37 HN LEU 37 5.141 3.068 2.156 907 HA LEU 37 HA LEU 37 4.335 2.225 -0.418 908 HG LEU 37 HG LEU 37 5.091 0.809 2.256 909 HB2 LEU 37 HB2 LEU 37 2.908 1.962 2.230 910 HB3 LEU 37 HB1 LEU 37 2.478 1.099 0.764 911 HD11 LEU 37 HD11 LEU 37 3.231 -0.142 3.498 912 HD12 LEU 37 HD12 LEU 37 4.247 -1.419 2.830 913 HD13 LEU 37 HD13 LEU 37 2.706 -1.027 2.067 914 HD21 LEU 37 HD21 LEU 37 3.995 -0.701 -0.117 915 HD22 LEU 37 HD22 LEU 37 5.493 -1.067 0.740 916 HD23 LEU 37 HD23 LEU 37 5.331 0.448 -0.150 917 H GLY 38 HN GLY 38 3.044 4.591 1.848 918 HA2 GLY 38 HA2 GLY 38 0.642 5.200 0.537 919 HA3 GLY 38 HA1 GLY 38 1.536 6.297 1.579 920 H ASN 39 HN ASN 39 3.855 6.708 0.196 921 HA ASN 39 HA ASN 39 3.169 8.565 -1.783 922 HB2 ASN 39 HB2 ASN 39 5.739 7.235 -1.003 923 HB3 ASN 39 HB1 ASN 39 5.681 8.206 -2.470 924 HD21 ASN 39 HD21 ASN 39 5.460 8.236 0.999 925 HD22 ASN 39 HD22 ASN 39 5.619 9.948 1.184 926 H MET 40 HN MET 40 4.248 5.211 -2.063 927 HA MET 40 HA MET 40 4.307 5.079 -4.870 928 HB2 MET 40 HB2 MET 40 3.889 2.980 -2.748 929 HB3 MET 40 HB1 MET 40 3.913 2.583 -4.460 930 HG2 MET 40 HG2 MET 40 6.158 3.984 -3.034 931 HG3 MET 40 HG1 MET 40 6.071 2.239 -3.267 932 HE1 MET 40 HE1 MET 40 6.260 1.029 -5.577 933 HE2 MET 40 HE2 MET 40 6.298 1.866 -7.129 934 HE3 MET 40 HE3 MET 40 4.843 1.921 -6.134 935 H ALA 41 HN ALA 41 1.734 4.185 -2.577 936 HA ALA 41 HA ALA 41 -0.185 3.365 -4.417 937 HB1 ALA 41 HB1 ALA 41 -1.827 3.750 -2.665 938 HB2 ALA 41 HB2 ALA 41 -0.673 4.745 -1.778 939 HB3 ALA 41 HB3 ALA 41 -0.368 3.022 -1.991 940 H SER 42 HN SER 42 0.379 6.597 -3.061 941 HA SER 42 HA SER 42 -1.712 7.908 -4.397 942 HG SER 42 HG SER 42 -0.080 10.593 -4.711 943 HB2 SER 42 HB2 SER 42 -0.470 8.885 -2.487 944 HB3 SER 42 HB1 SER 42 0.953 9.051 -3.512 945 H ASN 43 HN ASN 43 1.750 7.674 -5.244 946 HA ASN 43 HA ASN 43 1.633 9.215 -7.568 947 HB2 ASN 43 HB2 ASN 43 3.747 8.627 -6.474 948 HB3 ASN 43 HB1 ASN 43 3.529 6.941 -6.927 949 HD21 ASN 43 HD21 ASN 43 4.011 6.289 -8.984 950 HD22 ASN 43 HD22 ASN 43 4.740 7.321 -10.165 951 H LEU 44 HN LEU 44 1.226 5.719 -7.156 952 HA LEU 44 HA LEU 44 1.090 5.112 -9.911 953 HG LEU 44 HG LEU 44 2.406 3.665 -7.489 954 HB2 LEU 44 HB2 LEU 44 -0.014 3.655 -7.514 955 HB3 LEU 44 HB1 LEU 44 -0.027 3.005 -9.144 956 HD11 LEU 44 HD11 LEU 44 1.290 1.606 -6.837 957 HD12 LEU 44 HD12 LEU 44 2.827 1.262 -7.631 958 HD13 LEU 44 HD13 LEU 44 1.312 1.048 -8.509 959 HD21 LEU 44 HD21 LEU 44 3.715 2.847 -9.355 960 HD22 LEU 44 HD22 LEU 44 2.732 4.227 -9.852 961 HD23 LEU 44 HD23 LEU 44 2.247 2.591 -10.300 962 H LEU 45 HN LEU 45 -1.435 5.884 -7.548 963 HA LEU 45 HA LEU 45 -3.507 5.329 -9.465 964 HG LEU 45 HG LEU 45 -2.995 4.194 -6.637 965 HB2 LEU 45 HB2 LEU 45 -3.633 6.579 -6.725 966 HB3 LEU 45 HB1 LEU 45 -5.033 6.161 -7.692 967 HD11 LEU 45 HD11 LEU 45 -4.350 5.159 -4.856 968 HD12 LEU 45 HD12 LEU 45 -4.784 3.473 -5.138 969 HD13 LEU 45 HD13 LEU 45 -5.821 4.763 -5.746 970 HD21 LEU 45 HD21 LEU 45 -3.992 3.467 -8.741 971 HD22 LEU 45 HD22 LEU 45 -5.604 3.748 -8.087 972 HD23 LEU 45 HD23 LEU 45 -4.579 2.490 -7.396 973 H THR 46 HN THR 46 -1.493 7.959 -8.944 974 HA THR 46 HA THR 46 -3.508 9.773 -10.116 975 HB THR 46 HB THR 46 -2.002 11.638 -9.333 976 HG1 THR 46 HG1 THR 46 -0.842 9.564 -7.751 977 HG21 THR 46 HG21 THR 46 -4.032 11.069 -8.123 978 HG22 THR 46 HG22 THR 46 -2.753 11.502 -6.989 979 HG23 THR 46 HG23 THR 46 -3.174 9.810 -7.238 980 H THR 47 HN THR 47 -1.128 7.841 -11.130 981 HA THR 47 HA THR 47 -0.390 9.668 -13.296 982 HB THR 47 HB THR 47 1.693 7.985 -11.899 983 HG1 THR 47 HG1 THR 47 1.236 9.540 -10.424 984 HG21 THR 47 HG21 THR 47 1.919 10.255 -13.880 985 HG22 THR 47 HG22 THR 47 2.179 8.548 -14.235 986 HG23 THR 47 HG23 THR 47 3.268 9.396 -13.137 987 H SER 48 HN SER 48 -0.683 6.333 -12.134 988 HA SER 48 HA SER 48 0.177 5.355 -14.749 989 HG SER 48 HG SER 48 2.107 4.043 -13.193 990 HB2 SER 48 HB2 SER 48 -0.491 3.804 -12.239 991 HB3 SER 48 HB1 SER 48 0.244 3.151 -13.705 992 H VAL 49 HN VAL 49 -2.618 5.013 -12.563 993 HA VAL 49 HA VAL 49 -4.104 3.687 -14.686 994 HB VAL 49 HB VAL 49 -5.880 3.385 -13.013 995 HG11 VAL 49 HG11 VAL 49 -3.147 2.611 -11.991 996 HG12 VAL 49 HG12 VAL 49 -4.099 1.720 -13.178 997 HG13 VAL 49 HG13 VAL 49 -4.676 1.869 -11.519 998 HG21 VAL 49 HG21 VAL 49 -5.470 4.028 -10.667 999 HG22 VAL 49 HG22 VAL 49 -5.609 5.421 -11.738 1000 HG23 VAL 49 HG23 VAL 49 -4.024 4.895 -11.179 1001 HA PRO 50 HA PRO 50 -6.537 7.094 -16.164 1002 HB2 PRO 50 HB2 PRO 50 -8.932 5.490 -15.401 1003 HB3 PRO 50 HB1 PRO 50 -8.536 6.258 -16.944 1004 HG2 PRO 50 HG2 PRO 50 -8.288 3.631 -16.659 1005 HG3 PRO 50 HG1 PRO 50 -7.079 4.558 -17.565 1006 HD2 PRO 50 HD2 PRO 50 -6.921 3.428 -14.804 1007 HD3 PRO 50 HD1 PRO 50 -5.661 3.544 -16.051 1008 H GLN 51 HN GLN 51 -7.047 8.937 -15.190 1009 HA GLN 51 HA GLN 51 -7.269 8.996 -12.337 1010 HB2 GLN 51 HB2 GLN 51 -7.328 11.170 -14.421 1011 HB3 GLN 51 HB1 GLN 51 -7.368 11.477 -12.689 1012 HG2 GLN 51 HG2 GLN 51 -5.212 10.472 -12.405 1013 HG3 GLN 51 HG1 GLN 51 -5.180 9.967 -14.092 1014 HE21 GLN 51 HE21 GLN 51 -3.280 11.044 -14.490 1015 HE22 GLN 51 HE22 GLN 51 -3.191 12.775 -14.598 1016 H THR 52 HN THR 52 -9.557 8.395 -14.579 1017 HA THR 52 HA THR 52 -11.702 9.769 -13.150 1018 HB THR 52 HB THR 52 -11.997 7.880 -15.488 1019 HG1 THR 52 HG1 THR 52 -11.538 10.700 -15.443 1020 HG21 THR 52 HG21 THR 52 -14.029 8.393 -14.214 1021 HG22 THR 52 HG22 THR 52 -14.089 9.092 -15.834 1022 HG23 THR 52 HG23 THR 52 -13.734 10.116 -14.440 1023 H GLN 53 HN GLN 53 -10.291 6.607 -13.588 1024 HA GLN 53 HA GLN 53 -12.499 5.351 -12.117 1025 HB2 GLN 53 HB2 GLN 53 -10.257 4.177 -13.762 1026 HB3 GLN 53 HB1 GLN 53 -11.386 3.207 -12.829 1027 HG2 GLN 53 HG2 GLN 53 -13.231 3.983 -14.164 1028 HG3 GLN 53 HG1 GLN 53 -12.176 5.095 -15.036 1029 HE21 GLN 53 HE21 GLN 53 -9.987 3.162 -15.124 1030 HE22 GLN 53 HE22 GLN 53 -10.415 2.007 -16.337 1031 H CYS 54 HN CYS 54 -9.494 6.660 -11.551 1032 HA CYS 54 HA CYS 54 -8.237 4.717 -9.958 1033 HG CYS 54 HG CYS 54 -7.145 9.222 -9.542 1034 HB2 CYS 54 HB2 CYS 54 -6.908 6.634 -9.064 1035 HB3 CYS 54 HB1 CYS 54 -6.966 6.558 -10.821 1036 H GLU 55 HN GLU 55 -10.299 7.460 -9.022 1037 HA GLU 55 HA GLU 55 -10.160 7.039 -6.253 1038 HB2 GLU 55 HB2 GLU 55 -10.993 9.120 -7.309 1039 HB3 GLU 55 HB1 GLU 55 -12.436 8.261 -7.829 1040 HG2 GLU 55 HG2 GLU 55 -13.053 7.861 -5.514 1041 HG3 GLU 55 HG1 GLU 55 -11.593 8.683 -4.971 1042 H ALA 56 HN ALA 56 -12.250 5.664 -8.717 1043 HA ALA 56 HA ALA 56 -14.117 4.458 -6.971 1044 HB1 ALA 56 HB1 ALA 56 -13.353 3.611 -9.761 1045 HB2 ALA 56 HB2 ALA 56 -14.555 4.836 -9.357 1046 HB3 ALA 56 HB3 ALA 56 -14.819 3.156 -8.890 1047 H LEU 57 HN LEU 57 -11.314 3.100 -8.700 1048 HA LEU 57 HA LEU 57 -11.522 0.525 -7.565 1049 HG LEU 57 HG LEU 57 -9.429 0.065 -10.554 1050 HB2 LEU 57 HB2 LEU 57 -9.391 2.002 -9.040 1051 HB3 LEU 57 HB1 LEU 57 -8.966 0.513 -8.222 1052 HD11 LEU 57 HD11 LEU 57 -10.040 -1.656 -8.957 1053 HD12 LEU 57 HD12 LEU 57 -11.152 -1.649 -10.325 1054 HD13 LEU 57 HD13 LEU 57 -11.645 -0.947 -8.782 1055 HD21 LEU 57 HD21 LEU 57 -12.169 1.216 -10.052 1056 HD22 LEU 57 HD22 LEU 57 -11.626 0.440 -11.539 1057 HD23 LEU 57 HD23 LEU 57 -10.896 1.960 -11.019 1058 H ALA 58 HN ALA 58 -9.735 3.411 -6.588 1059 HA ALA 58 HA ALA 58 -8.156 2.271 -4.581 1060 HB1 ALA 58 HB1 ALA 58 -7.804 4.537 -5.398 1061 HB2 ALA 58 HB2 ALA 58 -8.006 4.529 -3.645 1062 HB3 ALA 58 HB3 ALA 58 -9.334 5.045 -4.684 1063 H GLN 59 HN GLN 59 -11.434 3.608 -4.425 1064 HA GLN 59 HA GLN 59 -11.753 3.167 -1.638 1065 HB2 GLN 59 HB2 GLN 59 -13.782 3.566 -3.840 1066 HB3 GLN 59 HB1 GLN 59 -14.195 3.475 -2.133 1067 HG2 GLN 59 HG2 GLN 59 -12.941 5.453 -1.657 1068 HG3 GLN 59 HG1 GLN 59 -12.311 5.500 -3.304 1069 HE21 GLN 59 HE21 GLN 59 -13.665 6.120 -4.983 1070 HE22 GLN 59 HE22 GLN 59 -15.149 6.975 -4.707 1071 H ALA 60 HN ALA 60 -12.797 1.350 -4.514 1072 HA ALA 60 HA ALA 60 -14.205 -0.652 -3.174 1073 HB1 ALA 60 HB1 ALA 60 -12.678 -0.927 -5.759 1074 HB2 ALA 60 HB2 ALA 60 -14.303 -0.264 -5.602 1075 HB3 ALA 60 HB3 ALA 60 -13.999 -1.956 -5.205 1076 H PHE 61 HN PHE 61 -10.766 -0.476 -4.031 1077 HA PHE 61 HA PHE 61 -10.106 -3.085 -3.172 1078 HD1 PHE 61 HD2 PHE 61 -8.061 -4.110 -4.565 1079 HD2 PHE 61 HD1 PHE 61 -6.520 -1.262 -1.798 1080 HE1 PHE 61 HE2 PHE 61 -6.215 -5.640 -4.023 1081 HE2 PHE 61 HE1 PHE 61 -4.673 -2.785 -1.257 1082 HZ PHE 61 HZ PHE 61 -4.517 -4.979 -2.365 1083 HB2 PHE 61 HB2 PHE 61 -8.664 -1.647 -4.633 1084 HB3 PHE 61 HB1 PHE 61 -8.286 -0.665 -3.223 1085 H SER 62 HN SER 62 -9.884 0.060 -1.515 1086 HA SER 62 HA SER 62 -8.837 -1.022 0.871 1087 HG SER 62 HG SER 62 -10.066 2.021 -0.772 1088 HB2 SER 62 HB2 SER 62 -9.580 1.197 1.865 1089 HB3 SER 62 HB1 SER 62 -8.474 1.288 0.496 1090 H ASN 63 HN ASN 63 -12.138 -0.335 -0.192 1091 HA ASN 63 HA ASN 63 -13.465 -0.829 2.215 1092 HB2 ASN 63 HB2 ASN 63 -14.341 -1.186 -0.647 1093 HB3 ASN 63 HB1 ASN 63 -15.418 -1.511 0.705 1094 HD21 ASN 63 HD21 ASN 63 -14.254 0.660 2.308 1095 HD22 ASN 63 HD22 ASN 63 -14.884 2.119 1.637 1096 H SER 64 HN SER 64 -12.511 -3.113 -0.353 1097 HA SER 64 HA SER 64 -13.687 -5.366 0.867 1098 HG SER 64 HG SER 64 -10.845 -4.317 -1.027 1099 HB2 SER 64 HB2 SER 64 -12.315 -6.714 -0.617 1100 HB3 SER 64 HB1 SER 64 -12.941 -5.326 -1.501 1101 H LEU 65 HN LEU 65 -10.592 -3.766 1.296 1102 HA LEU 65 HA LEU 65 -9.442 -5.729 2.992 1103 HG LEU 65 HG LEU 65 -8.318 -3.900 0.717 1104 HB2 LEU 65 HB2 LEU 65 -8.904 -2.762 2.813 1105 HB3 LEU 65 HB1 LEU 65 -7.922 -3.904 3.711 1106 HD11 LEU 65 HD11 LEU 65 -5.930 -3.172 2.404 1107 HD12 LEU 65 HD12 LEU 65 -6.937 -2.051 1.489 1108 HD13 LEU 65 HD13 LEU 65 -5.964 -3.254 0.643 1109 HD21 LEU 65 HD21 LEU 65 -8.023 -6.160 1.605 1110 HD22 LEU 65 HD22 LEU 65 -6.567 -5.639 2.455 1111 HD23 LEU 65 HD23 LEU 65 -6.609 -5.639 0.692 1112 H ILE 66 HN ILE 66 -11.453 -2.877 3.582 1113 HA ILE 66 HA ILE 66 -11.409 -2.841 6.373 1114 HB ILE 66 HB ILE 66 -13.862 -2.313 4.682 1115 HG12 ILE 66 HG12 ILE 66 -12.008 -1.007 3.792 1116 HG13 ILE 66 HG11 ILE 66 -13.141 0.046 4.630 1117 HG21 ILE 66 HG21 ILE 66 -13.040 -1.309 7.403 1118 HG22 ILE 66 HG22 ILE 66 -14.349 -2.434 7.041 1119 HG23 ILE 66 HG23 ILE 66 -14.453 -0.757 6.503 1120 HD11 ILE 66 HD11 ILE 66 -10.516 -0.946 5.715 1121 HD12 ILE 66 HD12 ILE 66 -11.649 0.111 6.559 1122 HD13 ILE 66 HD13 ILE 66 -10.847 0.670 5.090 1123 H ASN 67 HN ASN 67 -13.554 -4.587 4.168 1124 HA ASN 67 HA ASN 67 -15.013 -5.974 6.145 1125 HB2 ASN 67 HB2 ASN 67 -14.523 -6.510 3.216 1126 HB3 ASN 67 HB1 ASN 67 -15.522 -7.568 4.205 1127 HD21 ASN 67 HD21 ASN 67 -15.232 -4.368 2.817 1128 HD22 ASN 67 HD22 ASN 67 -16.896 -3.919 3.014 1129 H ALA 68 HN ALA 68 -12.076 -6.754 4.354 1130 HA ALA 68 HA ALA 68 -11.753 -9.391 5.244 1131 HB1 ALA 68 HB1 ALA 68 -9.594 -7.413 4.522 1132 HB2 ALA 68 HB2 ALA 68 -10.491 -8.410 3.378 1133 HB3 ALA 68 HB3 ALA 68 -9.433 -9.169 4.566 1134 H VAL 69 HN VAL 69 -10.460 -6.339 6.563 1135 HA VAL 69 HA VAL 69 -9.067 -7.415 8.733 1136 HB VAL 69 HB VAL 69 -10.472 -4.745 8.503 1137 HG11 VAL 69 HG11 VAL 69 -8.440 -5.638 10.550 1138 HG12 VAL 69 HG12 VAL 69 -10.148 -5.319 10.856 1139 HG13 VAL 69 HG13 VAL 69 -9.079 -4.003 10.369 1140 HG21 VAL 69 HG21 VAL 69 -7.582 -5.531 8.148 1141 HG22 VAL 69 HG22 VAL 69 -8.217 -3.887 8.071 1142 HG23 VAL 69 HG23 VAL 69 -8.706 -5.080 6.867 1143 H LYS 70 HN LYS 70 -12.439 -6.299 8.542 1144 HA LYS 70 HA LYS 70 -13.168 -6.888 11.185 1145 HB2 LYS 70 HB2 LYS 70 -14.803 -6.837 8.646 1146 HB3 LYS 70 HB1 LYS 70 -15.509 -7.048 10.242 1147 HG2 LYS 70 HG2 LYS 70 -14.712 -4.870 10.925 1148 HG3 LYS 70 HG1 LYS 70 -13.885 -4.663 9.378 1149 HD2 LYS 70 HD2 LYS 70 -16.018 -4.727 8.209 1150 HD3 LYS 70 HD1 LYS 70 -16.863 -5.008 9.732 1151 HE2 LYS 70 HE2 LYS 70 -15.212 -2.560 9.115 1152 HE3 LYS 70 HE1 LYS 70 -16.963 -2.653 8.941 1153 HZ1 LYS 70 HZ1 LYS 70 -15.440 -3.006 11.473 1154 HZ2 LYS 70 HZ2 LYS 70 -17.125 -3.136 11.313 1155 HZ3 LYS 70 HZ3 LYS 70 -16.360 -1.650 11.042 1156 H THR 71 HN THR 71 -12.962 -8.922 8.329 1157 HA THR 71 HA THR 71 -14.237 -11.174 9.586 1158 HB THR 71 HB THR 71 -12.584 -11.146 7.053 1159 HG1 THR 71 HG1 THR 71 -14.358 -9.669 6.935 1160 HG21 THR 71 HG21 THR 71 -13.911 -13.127 6.477 1161 HG22 THR 71 HG22 THR 71 -14.722 -13.037 8.042 1162 HG23 THR 71 HG23 THR 71 -12.994 -13.376 7.964 1163 H ARG 72 HN ARG 72 -11.019 -9.907 9.460 1164 HA ARG 72 HA ARG 72 -9.760 -12.403 10.209 1165 HE ARG 72 HE ARG 72 -7.449 -13.105 9.866 1166 HB2 ARG 72 HB2 ARG 72 -8.690 -9.571 10.273 1167 HB3 ARG 72 HB1 ARG 72 -7.741 -11.009 10.614 1168 HG2 ARG 72 HG2 ARG 72 -8.999 -10.237 7.993 1169 HG3 ARG 72 HG1 ARG 72 -7.282 -10.278 8.385 1170 HD2 ARG 72 HD2 ARG 72 -9.158 -12.629 8.179 1171 HD3 ARG 72 HD1 ARG 72 -7.851 -12.218 7.073 1172 HH11 ARG 72 HH11 ARG 72 -6.430 -12.938 6.516 1173 HH12 ARG 72 HH12 ARG 72 -5.081 -13.996 6.740 1174 HH21 ARG 72 HH21 ARG 72 -5.672 -14.500 10.163 1175 HH22 ARG 72 HH22 ARG 72 -4.626 -14.871 8.823 1176 H LEU 73 HN LEU 73 -10.715 -9.391 11.792 1177 HA LEU 73 HA LEU 73 -9.830 -10.194 14.387 1178 HG LEU 73 HG LEU 73 -9.630 -7.580 12.609 1179 HB2 LEU 73 HB2 LEU 73 -11.821 -8.062 13.606 1180 HB3 LEU 73 HB1 LEU 73 -11.068 -8.232 15.181 1181 HD11 LEU 73 HD11 LEU 73 -11.017 -5.748 13.402 1182 HD12 LEU 73 HD12 LEU 73 -9.305 -5.382 13.621 1183 HD13 LEU 73 HD13 LEU 73 -10.285 -5.871 15.003 1184 HD21 LEU 73 HD21 LEU 73 -8.237 -8.873 14.137 1185 HD22 LEU 73 HD22 LEU 73 -8.607 -7.744 15.441 1186 HD23 LEU 73 HD23 LEU 73 -7.687 -7.200 14.037 1187 H GLU 74 HN GLU 74 -12.934 -10.138 12.709 1188 HA GLU 74 HA GLU 74 -14.962 -11.030 13.146 1189 HB2 GLU 74 HB2 GLU 74 -13.327 -13.053 14.682 1190 HB3 GLU 74 HB1 GLU 74 -15.014 -13.251 14.227 1191 HG2 GLU 74 HG2 GLU 74 -14.438 -13.218 11.893 1192 HG3 GLU 74 HG1 GLU 74 -12.753 -12.877 12.279 1193 H HIS 75 HN HIS 75 -15.646 -9.220 14.358 1194 HA HIS 75 HA HIS 75 -15.640 -9.578 17.260 1195 HD1 HIS 75 HD1 HIS 75 -14.157 -5.681 15.723 1196 HD2 HIS 75 HD2 HIS 75 -14.573 -8.277 18.954 1197 HE1 HIS 75 HE1 HIS 75 -12.176 -5.247 17.212 1198 HE2 HIS 75 HE2 HIS 75 -12.502 -6.763 19.203 1199 HB2 HIS 75 HB2 HIS 75 -16.118 -7.235 15.471 1200 HB3 HIS 75 HB1 HIS 75 -16.904 -7.256 17.046 1201 H HIS 76 HN HIS 76 -17.213 -10.675 18.114 1202 HA HIS 76 HA HIS 76 -19.635 -11.179 16.603 1203 HD1 HIS 76 HD1 HIS 76 -16.542 -12.995 19.204 1204 HD2 HIS 76 HD2 HIS 76 -20.096 -11.862 21.055 1205 HE1 HIS 76 HE1 HIS 76 -16.024 -12.875 21.664 1206 HE2 HIS 76 HE2 HIS 76 -18.170 -12.135 22.761 1207 HB2 HIS 76 HB2 HIS 76 -20.138 -12.834 18.366 1208 HB3 HIS 76 HB1 HIS 76 -18.551 -13.085 17.655 1209 H HIS 77 HN HIS 77 -21.471 -11.581 18.652 1210 HA HIS 77 HA HIS 77 -22.577 -9.021 18.845 1211 HD1 HIS 77 HD1 HIS 77 -23.581 -13.021 18.365 1212 HD2 HIS 77 HD2 HIS 77 -25.603 -9.396 18.135 1213 HE1 HIS 77 HE1 HIS 77 -25.127 -13.233 16.395 1214 HE2 HIS 77 HE2 HIS 77 -26.226 -10.974 16.178 1215 HB2 HIS 77 HB2 HIS 77 -23.198 -11.547 20.374 1216 HB3 HIS 77 HB1 HIS 77 -24.155 -10.075 20.507 1217 H HIS 78 HN HIS 78 -22.518 -7.455 20.292 1218 HA HIS 78 HA HIS 78 -20.461 -7.395 22.244 1219 HD1 HIS 78 HD1 HIS 78 -24.503 -5.207 22.139 1220 HD2 HIS 78 HD2 HIS 78 -21.681 -4.997 19.083 1221 HE1 HIS 78 HE1 HIS 78 -25.769 -4.498 20.090 1222 HE2 HIS 78 HE2 HIS 78 -24.079 -4.548 18.221 1223 HB2 HIS 78 HB2 HIS 78 -22.013 -5.260 22.937 1224 HB3 HIS 78 HB1 HIS 78 -20.765 -5.229 21.701 1225 H HIS 79 HN HIS 79 -21.134 -6.452 24.536 1226 HA HIS 79 HA HIS 79 -22.330 -8.703 25.843 1227 HD1 HIS 79 HD1 HIS 79 -19.679 -7.957 29.015 1228 HD2 HIS 79 HD2 HIS 79 -19.391 -7.548 24.885 1229 HE1 HIS 79 HE1 HIS 79 -17.327 -8.635 28.424 1230 HE2 HIS 79 HE2 HIS 79 -17.124 -8.184 25.947 1231 HB2 HIS 79 HB2 HIS 79 -21.443 -6.037 26.981 1232 HB3 HIS 79 HB1 HIS 79 -21.893 -7.444 27.934 1233 H HIS 80 HN HIS 80 -23.240 -5.369 25.231 1234 HA HIS 80 HA HIS 80 -26.032 -6.142 25.644 1235 HD1 HIS 80 HD1 HIS 80 -27.757 -5.086 28.285 1236 HD2 HIS 80 HD2 HIS 80 -23.640 -5.469 28.778 1237 HE1 HIS 80 HE1 HIS 80 -27.440 -6.227 30.501 1238 HE2 HIS 80 HE2 HIS 80 -24.965 -6.657 30.663 1239 HB2 HIS 80 HB2 HIS 80 -24.676 -3.693 26.781 1240 HB3 HIS 80 HB1 HIS 80 -26.419 -3.786 26.560 Start of MODEL 13 1 HA MET 1 HA MET 1 10.811 0.059 19.179 2 H1 MET 1 HT1 MET 1 11.176 -1.083 21.278 3 H2 MET 1 HT2 MET 1 10.054 0.177 21.421 4 H3 MET 1 HT3 MET 1 11.634 0.380 22.003 5 HB2 MET 1 HB2 MET 1 11.984 2.402 20.691 6 HB3 MET 1 HB1 MET 1 11.812 2.340 18.944 7 HG2 MET 1 HG2 MET 1 10.009 3.613 19.763 8 HG3 MET 1 HG1 MET 1 9.350 2.048 19.298 9 HE1 MET 1 HE1 MET 1 7.142 2.660 20.657 10 HE2 MET 1 HE2 MET 1 7.841 4.196 21.170 11 HE3 MET 1 HE3 MET 1 7.137 3.107 22.364 12 H ALA 2 HN ALA 2 12.213 -1.556 18.603 13 HA ALA 2 HA ALA 2 15.012 -1.482 19.184 14 HB1 ALA 2 HB1 ALA 2 15.189 -3.227 17.464 15 HB2 ALA 2 HB2 ALA 2 13.512 -2.935 17.000 16 HB3 ALA 2 HB3 ALA 2 13.886 -3.573 18.601 17 H GLN 3 HN GLN 3 12.954 -0.475 16.522 18 HA GLN 3 HA GLN 3 15.236 0.855 15.233 19 HB2 GLN 3 HB2 GLN 3 12.432 0.371 14.184 20 HB3 GLN 3 HB1 GLN 3 13.779 1.035 13.268 21 HG2 GLN 3 HG2 GLN 3 14.951 -1.030 13.333 22 HG3 GLN 3 HG1 GLN 3 13.814 -1.706 14.499 23 HE21 GLN 3 HE21 GLN 3 12.819 0.217 11.762 24 HE22 GLN 3 HE22 GLN 3 12.056 -1.067 10.892 25 H HIS 4 HN HIS 4 15.442 2.671 16.507 26 HA HIS 4 HA HIS 4 13.302 4.193 17.503 27 HD1 HIS 4 HD1 HIS 4 16.359 7.349 16.563 28 HD2 HIS 4 HD2 HIS 4 17.566 3.371 16.542 29 HE1 HIS 4 HE1 HIS 4 18.530 7.304 15.292 30 HE2 HIS 4 HE2 HIS 4 19.350 4.932 15.516 31 HB2 HIS 4 HB2 HIS 4 14.941 5.915 18.028 32 HB3 HIS 4 HB1 HIS 4 15.569 4.327 18.442 33 H SER 5 HN SER 5 11.950 5.519 16.552 34 HA SER 5 HA SER 5 12.521 6.369 13.809 35 HG SER 5 HG SER 5 9.373 4.524 14.449 36 HB2 SER 5 HB2 SER 5 9.858 6.540 15.216 37 HB3 SER 5 HB1 SER 5 10.177 6.540 13.483 38 H LYS 6 HN LYS 6 12.683 8.518 13.287 39 HA LYS 6 HA LYS 6 11.615 10.425 15.230 40 HB2 LYS 6 HB2 LYS 6 14.175 10.427 14.882 41 HB3 LYS 6 HB1 LYS 6 13.831 11.051 13.274 42 HG2 LYS 6 HG2 LYS 6 12.803 13.015 14.191 43 HG3 LYS 6 HG1 LYS 6 12.930 12.369 15.827 44 HD2 LYS 6 HD2 LYS 6 14.668 14.015 15.427 45 HD3 LYS 6 HD1 LYS 6 15.378 12.414 15.641 46 HE2 LYS 6 HE2 LYS 6 15.625 12.177 13.236 47 HE3 LYS 6 HE1 LYS 6 14.843 13.737 12.983 48 HZ1 LYS 6 HZ1 LYS 6 17.413 13.299 14.407 49 HZ2 LYS 6 HZ2 LYS 6 16.659 14.801 14.157 50 HZ3 LYS 6 HZ3 LYS 6 17.241 13.916 12.834 51 H TYR 7 HN TYR 7 12.586 11.956 12.492 52 HA TYR 7 HA TYR 7 10.606 11.212 10.627 53 HD1 TYR 7 HD1 TYR 7 8.503 11.038 10.024 54 HD2 TYR 7 HD2 TYR 7 8.204 12.919 13.829 55 HE1 TYR 7 HE1 TYR 7 6.577 9.614 10.566 56 HE2 TYR 7 HE2 TYR 7 6.268 11.504 14.379 57 HH TYR 7 HH TYR 7 5.456 8.748 12.635 58 HB2 TYR 7 HB2 TYR 7 9.936 13.522 12.422 59 HB3 TYR 7 HB1 TYR 7 9.441 13.571 10.732 60 H SER 8 HN SER 8 12.143 11.269 9.137 61 HA SER 8 HA SER 8 13.268 13.889 8.464 62 HG SER 8 HG SER 8 15.918 13.510 7.661 63 HB2 SER 8 HB2 SER 8 15.024 12.322 9.190 64 HB3 SER 8 HB1 SER 8 14.470 11.148 7.998 65 H ASP 9 HN ASP 9 12.127 14.655 6.802 66 HA ASP 9 HA ASP 9 10.754 12.980 4.946 67 HB2 ASP 9 HB2 ASP 9 10.219 15.015 3.735 68 HB3 ASP 9 HB1 ASP 9 10.016 15.300 5.459 69 H ALA 10 HN ALA 10 13.937 13.996 5.332 70 HA ALA 10 HA ALA 10 14.720 13.782 2.558 71 HB1 ALA 10 HB1 ALA 10 15.943 15.263 4.077 72 HB2 ALA 10 HB2 ALA 10 17.002 14.026 3.398 73 HB3 ALA 10 HB3 ALA 10 16.414 13.873 5.055 74 H GLN 11 HN GLN 11 15.045 11.834 5.514 75 HA GLN 11 HA GLN 11 16.216 9.609 4.145 76 HB2 GLN 11 HB2 GLN 11 14.934 9.898 6.857 77 HB3 GLN 11 HB1 GLN 11 15.549 8.359 6.270 78 HG2 GLN 11 HG2 GLN 11 17.137 10.883 6.685 79 HG3 GLN 11 HG1 GLN 11 17.186 9.428 7.682 80 HE21 GLN 11 HE21 GLN 11 18.182 7.575 6.882 81 HE22 GLN 11 HE22 GLN 11 19.274 7.633 5.540 82 H LEU 12 HN LEU 12 12.972 10.604 4.949 83 HA LEU 12 HA LEU 12 11.572 8.255 4.384 84 HG LEU 12 HG LEU 12 9.346 9.083 5.718 85 HB2 LEU 12 HB2 LEU 12 10.876 10.769 5.140 86 HB3 LEU 12 HB1 LEU 12 10.358 10.792 3.468 87 HD11 LEU 12 HD11 LEU 12 8.046 10.907 3.711 88 HD12 LEU 12 HD12 LEU 12 8.249 11.194 5.440 89 HD13 LEU 12 HD13 LEU 12 7.173 9.913 4.876 90 HD21 LEU 12 HD21 LEU 12 8.012 7.832 4.091 91 HD22 LEU 12 HD22 LEU 12 9.741 7.542 3.894 92 HD23 LEU 12 HD23 LEU 12 8.893 8.614 2.779 93 H SER 13 HN SER 13 12.114 11.051 2.238 94 HA SER 13 HA SER 13 11.033 9.914 -0.056 95 HG SER 13 HG SER 13 12.929 12.760 1.282 96 HB2 SER 13 HB2 SER 13 12.508 11.648 -1.247 97 HB3 SER 13 HB1 SER 13 11.343 12.252 -0.066 98 H ALA 14 HN ALA 14 14.349 9.804 1.176 99 HA ALA 14 HA ALA 14 15.586 8.573 -0.995 100 HB1 ALA 14 HB1 ALA 14 17.251 7.778 0.595 101 HB2 ALA 14 HB2 ALA 14 16.158 8.133 1.934 102 HB3 ALA 14 HB3 ALA 14 16.797 9.446 0.944 103 H ILE 15 HN ILE 15 13.737 7.164 1.666 104 HA ILE 15 HA ILE 15 14.176 4.462 0.835 105 HB ILE 15 HB ILE 15 12.245 5.683 2.800 106 HG12 ILE 15 HG12 ILE 15 14.754 4.017 3.095 107 HG13 ILE 15 HG11 ILE 15 14.576 5.722 3.487 108 HG21 ILE 15 HG21 ILE 15 11.731 3.392 3.541 109 HG22 ILE 15 HG22 ILE 15 12.647 2.760 2.173 110 HG23 ILE 15 HG23 ILE 15 11.183 3.704 1.895 111 HD11 ILE 15 HD11 ILE 15 14.570 4.382 5.492 112 HD12 ILE 15 HD12 ILE 15 13.224 3.424 4.877 113 HD13 ILE 15 HD13 ILE 15 12.990 5.129 5.259 114 H VAL 16 HN VAL 16 11.537 6.807 0.393 115 HA VAL 16 HA VAL 16 9.725 4.999 -0.800 116 HB VAL 16 HB VAL 16 9.790 7.877 -1.656 117 HG11 VAL 16 HG11 VAL 16 7.502 6.061 -0.915 118 HG12 VAL 16 HG12 VAL 16 8.111 6.286 -2.558 119 HG13 VAL 16 HG13 VAL 16 7.402 7.646 -1.688 120 HG21 VAL 16 HG21 VAL 16 8.830 6.888 1.024 121 HG22 VAL 16 HG22 VAL 16 8.543 8.496 0.361 122 HG23 VAL 16 HG23 VAL 16 10.188 7.976 0.733 123 H ASN 17 HN ASN 17 12.165 7.169 -2.210 124 HA ASN 17 HA ASN 17 11.648 6.356 -4.899 125 HB2 ASN 17 HB2 ASN 17 13.907 7.867 -3.602 126 HB3 ASN 17 HB1 ASN 17 13.965 7.412 -5.300 127 HD21 ASN 17 HD21 ASN 17 12.503 9.456 -2.929 128 HD22 ASN 17 HD22 ASN 17 11.646 10.483 -4.036 129 H ASP 18 HN ASP 18 13.529 5.081 -2.306 130 HA ASP 18 HA ASP 18 15.283 3.432 -3.771 131 HB2 ASP 18 HB2 ASP 18 15.415 4.017 -1.286 132 HB3 ASP 18 HB1 ASP 18 14.130 2.843 -1.037 133 H MET 19 HN MET 19 12.171 2.869 -2.173 134 HA MET 19 HA MET 19 11.706 0.257 -2.988 135 HB2 MET 19 HB2 MET 19 9.739 2.501 -2.522 136 HB3 MET 19 HB1 MET 19 9.273 0.820 -2.739 137 HG2 MET 19 HG2 MET 19 10.543 0.204 -0.751 138 HG3 MET 19 HG1 MET 19 11.022 1.887 -0.533 139 HE1 MET 19 HE1 MET 19 9.608 0.046 1.699 140 HE2 MET 19 HE2 MET 19 8.460 1.189 2.395 141 HE3 MET 19 HE3 MET 19 10.099 1.711 2.005 142 H ILE 20 HN ILE 20 11.059 3.285 -4.709 143 HA ILE 20 HA ILE 20 9.723 2.163 -6.923 144 HB ILE 20 HB ILE 20 11.477 4.631 -6.849 145 HG12 ILE 20 HG12 ILE 20 8.473 4.351 -6.586 146 HG13 ILE 20 HG11 ILE 20 9.577 4.662 -5.252 147 HG21 ILE 20 HG21 ILE 20 9.378 3.809 -8.860 148 HG22 ILE 20 HG22 ILE 20 11.121 3.814 -9.129 149 HG23 ILE 20 HG23 ILE 20 10.268 5.332 -8.853 150 HD11 ILE 20 HD11 ILE 20 8.479 6.697 -5.968 151 HD12 ILE 20 HD12 ILE 20 9.091 6.472 -7.606 152 HD13 ILE 20 HD13 ILE 20 10.212 6.786 -6.280 153 H ALA 21 HN ALA 21 13.167 2.828 -6.347 154 HA ALA 21 HA ALA 21 14.096 1.867 -8.837 155 HB1 ALA 21 HB1 ALA 21 16.296 1.786 -7.785 156 HB2 ALA 21 HB2 ALA 21 15.555 1.983 -6.197 157 HB3 ALA 21 HB3 ALA 21 15.462 3.287 -7.381 158 H VAL 22 HN VAL 22 13.538 0.343 -5.712 159 HA VAL 22 HA VAL 22 14.549 -2.220 -6.365 160 HB VAL 22 HB VAL 22 12.340 -1.570 -4.393 161 HG11 VAL 22 HG11 VAL 22 14.281 -3.873 -4.477 162 HG12 VAL 22 HG12 VAL 22 12.565 -3.947 -4.878 163 HG13 VAL 22 HG13 VAL 22 13.071 -3.579 -3.228 164 HG21 VAL 22 HG21 VAL 22 14.213 -0.156 -3.862 165 HG22 VAL 22 HG22 VAL 22 15.330 -1.520 -4.004 166 HG23 VAL 22 HG23 VAL 22 14.151 -1.480 -2.693 167 H LEU 23 HN LEU 23 11.448 -0.644 -6.834 168 HA LEU 23 HA LEU 23 9.891 -2.885 -7.483 169 HG LEU 23 HG LEU 23 8.125 -1.668 -9.681 170 HB2 LEU 23 HB2 LEU 23 8.979 -0.651 -6.968 171 HB3 LEU 23 HB1 LEU 23 9.607 -0.055 -8.492 172 HD11 LEU 23 HD11 LEU 23 6.279 -2.687 -8.419 173 HD12 LEU 23 HD12 LEU 23 7.022 -2.141 -6.915 174 HD13 LEU 23 HD13 LEU 23 7.852 -3.320 -7.932 175 HD21 LEU 23 HD21 LEU 23 7.460 0.651 -9.389 176 HD22 LEU 23 HD22 LEU 23 6.754 0.265 -7.819 177 HD23 LEU 23 HD23 LEU 23 6.061 -0.416 -9.291 178 H GLU 24 HN GLU 24 11.868 -0.754 -9.537 179 HA GLU 24 HA GLU 24 11.332 -2.447 -11.845 180 HB2 GLU 24 HB2 GLU 24 12.595 0.180 -11.406 181 HB3 GLU 24 HB1 GLU 24 13.322 -0.792 -12.678 182 HG2 GLU 24 HG2 GLU 24 10.403 -0.074 -12.500 183 HG3 GLU 24 HG1 GLU 24 11.593 0.733 -13.520 184 H LYS 25 HN LYS 25 13.508 -2.380 -9.272 185 HA LYS 25 HA LYS 25 15.753 -3.620 -10.534 186 HB2 LYS 25 HB2 LYS 25 15.623 -2.373 -8.258 187 HB3 LYS 25 HB1 LYS 25 15.042 -3.903 -7.620 188 HG2 LYS 25 HG2 LYS 25 17.434 -3.605 -7.260 189 HG3 LYS 25 HG1 LYS 25 17.093 -4.995 -8.294 190 HD2 LYS 25 HD2 LYS 25 17.810 -3.883 -10.223 191 HD3 LYS 25 HD1 LYS 25 17.707 -2.299 -9.453 192 HE2 LYS 25 HE2 LYS 25 19.600 -2.778 -8.073 193 HE3 LYS 25 HE1 LYS 25 19.651 -4.448 -8.639 194 HZ1 LYS 25 HZ1 LYS 25 21.310 -2.976 -9.706 195 HZ2 LYS 25 HZ2 LYS 25 20.042 -2.088 -10.403 196 HZ3 LYS 25 HZ3 LYS 25 20.262 -3.721 -10.812 197 H HIS 26 HN HIS 26 13.020 -4.749 -8.603 198 HA HIS 26 HA HIS 26 13.503 -7.526 -9.301 199 HD1 HIS 26 HD1 HIS 26 12.315 -8.698 -5.803 200 HD2 HIS 26 HD2 HIS 26 10.404 -9.093 -9.480 201 HE1 HIS 26 HE1 HIS 26 11.427 -11.055 -5.865 202 HE2 HIS 26 HE2 HIS 26 10.466 -11.328 -8.182 203 HB2 HIS 26 HB2 HIS 26 12.454 -6.637 -7.111 204 HB3 HIS 26 HB1 HIS 26 10.995 -6.390 -8.057 205 H LYS 27 HN LYS 27 11.962 -4.788 -10.469 206 HA LYS 27 HA LYS 27 10.564 -4.229 -12.110 207 HB2 LYS 27 HB2 LYS 27 12.357 -5.317 -13.451 208 HB3 LYS 27 HB1 LYS 27 11.400 -6.799 -13.442 209 HG2 LYS 27 HG2 LYS 27 9.654 -5.796 -14.669 210 HG3 LYS 27 HG1 LYS 27 10.324 -4.182 -14.440 211 HD2 LYS 27 HD2 LYS 27 12.311 -4.920 -15.784 212 HD3 LYS 27 HD1 LYS 27 11.427 -6.408 -16.142 213 HE2 LYS 27 HE2 LYS 27 11.152 -4.771 -17.934 214 HE3 LYS 27 HE1 LYS 27 9.618 -5.104 -17.131 215 HZ1 LYS 27 HZ1 LYS 27 11.326 -2.698 -16.874 216 HZ2 LYS 27 HZ2 LYS 27 10.120 -3.057 -15.746 217 HZ3 LYS 27 HZ3 LYS 27 9.706 -2.785 -17.368 218 H ALA 28 HN ALA 28 8.694 -4.303 -10.985 219 HA ALA 28 HA ALA 28 6.973 -6.610 -11.595 220 HB1 ALA 28 HB1 ALA 28 6.704 -4.647 -9.318 221 HB2 ALA 28 HB2 ALA 28 7.328 -6.290 -9.187 222 HB3 ALA 28 HB3 ALA 28 5.643 -6.020 -9.638 223 HA PRO 29 HA PRO 29 4.666 -3.739 -14.109 224 HB2 PRO 29 HB2 PRO 29 2.469 -5.669 -13.922 225 HB3 PRO 29 HB1 PRO 29 3.390 -5.160 -15.339 226 HG2 PRO 29 HG2 PRO 29 3.635 -7.622 -14.271 227 HG3 PRO 29 HG1 PRO 29 4.993 -6.783 -15.046 228 HD2 PRO 29 HD2 PRO 29 4.371 -7.103 -12.133 229 HD3 PRO 29 HD1 PRO 29 5.936 -7.208 -12.972 230 H VAL 30 HN VAL 30 2.444 -2.721 -14.033 231 HA VAL 30 HA VAL 30 2.114 -1.523 -11.509 232 HB VAL 30 HB VAL 30 0.170 -1.530 -13.828 233 HG11 VAL 30 HG11 VAL 30 -0.876 -0.801 -11.754 234 HG12 VAL 30 HG12 VAL 30 -0.666 0.558 -12.859 235 HG13 VAL 30 HG13 VAL 30 0.428 0.356 -11.491 236 HG21 VAL 30 HG21 VAL 30 2.371 -0.732 -14.500 237 HG22 VAL 30 HG22 VAL 30 2.393 0.394 -13.139 238 HG23 VAL 30 HG23 VAL 30 1.219 0.602 -14.441 239 H ASP 31 HN ASP 31 0.278 -4.050 -13.161 240 HA ASP 31 HA ASP 31 -1.770 -4.186 -11.188 241 HB2 ASP 31 HB2 ASP 31 -2.115 -6.534 -12.351 242 HB3 ASP 31 HB1 ASP 31 -2.565 -5.040 -13.159 243 H LEU 32 HN LEU 32 0.995 -6.324 -11.912 244 HA LEU 32 HA LEU 32 0.726 -8.052 -9.754 245 HG LEU 32 HG LEU 32 3.448 -9.527 -11.739 246 HB2 LEU 32 HB2 LEU 32 3.065 -7.121 -11.352 247 HB3 LEU 32 HB1 LEU 32 3.377 -8.012 -9.878 248 HD11 LEU 32 HD11 LEU 32 2.511 -10.381 -9.665 249 HD12 LEU 32 HD12 LEU 32 1.773 -11.157 -11.065 250 HD13 LEU 32 HD13 LEU 32 0.895 -9.903 -10.187 251 HD21 LEU 32 HD21 LEU 32 1.523 -9.917 -13.190 252 HD22 LEU 32 HD22 LEU 32 2.102 -8.256 -13.322 253 HD23 LEU 32 HD23 LEU 32 0.649 -8.612 -12.387 254 H SER 33 HN SER 33 2.334 -4.900 -9.892 255 HA SER 33 HA SER 33 3.375 -4.908 -7.289 256 HG SER 33 HG SER 33 4.214 -2.778 -6.715 257 HB2 SER 33 HB2 SER 33 4.059 -3.296 -9.024 258 HB3 SER 33 HB1 SER 33 2.472 -2.534 -8.939 259 H LEU 34 HN LEU 34 0.272 -3.664 -8.531 260 HA LEU 34 HA LEU 34 -0.647 -2.616 -6.087 261 HG LEU 34 HG LEU 34 -0.851 -1.600 -8.964 262 HB2 LEU 34 HB2 LEU 34 -2.157 -3.617 -8.494 263 HB3 LEU 34 HB1 LEU 34 -2.926 -2.816 -7.138 264 HD11 LEU 34 HD11 LEU 34 -3.811 -1.100 -8.693 265 HD12 LEU 34 HD12 LEU 34 -2.993 -1.857 -10.060 266 HD13 LEU 34 HD13 LEU 34 -2.701 -0.158 -9.689 267 HD21 LEU 34 HD21 LEU 34 -0.658 -0.751 -6.684 268 HD22 LEU 34 HD22 LEU 34 -2.382 -0.382 -6.666 269 HD23 LEU 34 HD23 LEU 34 -1.307 0.480 -7.766 270 H ILE 35 HN ILE 35 -1.019 -5.827 -7.537 271 HA ILE 35 HA ILE 35 -2.736 -6.824 -5.502 272 HB ILE 35 HB ILE 35 -0.908 -8.413 -7.317 273 HG12 ILE 35 HG12 ILE 35 -3.813 -7.644 -7.698 274 HG13 ILE 35 HG11 ILE 35 -2.460 -6.909 -8.547 275 HG21 ILE 35 HG21 ILE 35 -1.749 -9.685 -5.403 276 HG22 ILE 35 HG22 ILE 35 -2.470 -10.248 -6.911 277 HG23 ILE 35 HG23 ILE 35 -3.399 -9.223 -5.818 278 HD11 ILE 35 HD11 ILE 35 -1.941 -9.051 -9.588 279 HD12 ILE 35 HD12 ILE 35 -3.596 -8.548 -9.932 280 HD13 ILE 35 HD13 ILE 35 -3.287 -9.797 -8.726 281 H ALA 36 HN ALA 36 0.773 -6.869 -5.978 282 HA ALA 36 HA ALA 36 1.459 -8.417 -3.748 283 HB1 ALA 36 HB1 ALA 36 3.672 -7.415 -3.971 284 HB2 ALA 36 HB2 ALA 36 3.015 -6.185 -5.051 285 HB3 ALA 36 HB3 ALA 36 3.028 -7.878 -5.545 286 H LEU 37 HN LEU 37 1.095 -4.905 -4.149 287 HA LEU 37 HA LEU 37 1.689 -4.193 -1.499 288 HG LEU 37 HG LEU 37 2.259 -2.880 -4.222 289 HB2 LEU 37 HB2 LEU 37 -0.091 -2.839 -3.525 290 HB3 LEU 37 HB1 LEU 37 0.370 -2.122 -1.994 291 HD11 LEU 37 HD11 LEU 37 1.354 -0.177 -3.239 292 HD12 LEU 37 HD12 LEU 37 0.883 -0.938 -4.759 293 HD13 LEU 37 HD13 LEU 37 2.563 -0.476 -4.488 294 HD21 LEU 37 HD21 LEU 37 2.798 -1.480 -1.603 295 HD22 LEU 37 HD22 LEU 37 3.969 -1.763 -2.892 296 HD23 LEU 37 HD23 LEU 37 3.280 -3.127 -2.011 297 H GLY 38 HN GLY 38 -1.311 -5.213 -3.040 298 HA2 GLY 38 HA2 GLY 38 -3.074 -4.767 -0.912 299 HA3 GLY 38 HA1 GLY 38 -3.266 -6.012 -2.138 300 H ASN 39 HN ASN 39 -1.286 -7.741 -1.727 301 HA ASN 39 HA ASN 39 -2.017 -9.198 0.569 302 HB2 ASN 39 HB2 ASN 39 0.373 -9.385 -1.268 303 HB3 ASN 39 HB1 ASN 39 0.160 -10.476 0.094 304 HD21 ASN 39 HD21 ASN 39 0.042 -12.260 -1.225 305 HD22 ASN 39 HD22 ASN 39 -1.339 -12.603 -2.203 306 H MET 40 HN MET 40 0.768 -7.142 -0.117 307 HA MET 40 HA MET 40 2.213 -7.612 2.235 308 HB2 MET 40 HB2 MET 40 3.130 -6.585 0.190 309 HB3 MET 40 HB1 MET 40 2.174 -5.143 0.492 310 HG2 MET 40 HG2 MET 40 3.416 -4.730 2.538 311 HG3 MET 40 HG1 MET 40 4.349 -6.204 2.279 312 HE1 MET 40 HE1 MET 40 6.951 -3.350 1.566 313 HE2 MET 40 HE2 MET 40 6.605 -4.796 2.515 314 HE3 MET 40 HE3 MET 40 5.658 -3.328 2.766 315 H ALA 41 HN ALA 41 0.002 -4.931 1.425 316 HA ALA 41 HA ALA 41 0.265 -3.561 3.859 317 HB1 ALA 41 HB1 ALA 41 -2.128 -3.595 2.025 318 HB2 ALA 41 HB2 ALA 41 -0.709 -2.565 1.837 319 HB3 ALA 41 HB3 ALA 41 -1.758 -2.374 3.242 320 H SER 42 HN SER 42 -2.209 -5.897 2.810 321 HA SER 42 HA SER 42 -3.776 -5.876 5.106 322 HG SER 42 HG SER 42 -3.998 -6.787 1.954 323 HB2 SER 42 HB2 SER 42 -3.194 -8.251 3.316 324 HB3 SER 42 HB1 SER 42 -4.588 -8.066 4.380 325 H ASN 43 HN ASN 43 -1.001 -7.926 4.297 326 HA ASN 43 HA ASN 43 -0.993 -9.541 6.565 327 HB2 ASN 43 HB2 ASN 43 0.372 -9.983 4.569 328 HB3 ASN 43 HB1 ASN 43 1.371 -8.582 4.938 329 HD21 ASN 43 HD21 ASN 43 3.243 -9.743 5.128 330 HD22 ASN 43 HD22 ASN 43 3.563 -10.821 6.440 331 H LEU 44 HN LEU 44 0.716 -6.473 5.997 332 HA LEU 44 HA LEU 44 1.986 -6.470 8.547 333 HG LEU 44 HG LEU 44 2.924 -5.964 5.589 334 HB2 LEU 44 HB2 LEU 44 1.541 -4.213 6.596 335 HB3 LEU 44 HB1 LEU 44 2.611 -4.152 7.984 336 HD11 LEU 44 HD11 LEU 44 4.919 -4.609 5.144 337 HD12 LEU 44 HD12 LEU 44 4.491 -3.552 6.490 338 HD13 LEU 44 HD13 LEU 44 3.440 -3.650 5.077 339 HD21 LEU 44 HD21 LEU 44 4.709 -5.600 7.993 340 HD22 LEU 44 HD22 LEU 44 5.041 -6.617 6.590 341 HD23 LEU 44 HD23 LEU 44 3.699 -7.009 7.667 342 H LEU 45 HN LEU 45 -0.952 -4.986 7.266 343 HA LEU 45 HA LEU 45 -1.443 -3.382 9.569 344 HG LEU 45 HG LEU 45 -1.559 -2.694 6.577 345 HB2 LEU 45 HB2 LEU 45 -3.265 -4.281 7.340 346 HB3 LEU 45 HB1 LEU 45 -3.748 -3.165 8.602 347 HD11 LEU 45 HD11 LEU 45 -3.815 -2.617 5.627 348 HD12 LEU 45 HD12 LEU 45 -3.062 -1.023 5.657 349 HD13 LEU 45 HD13 LEU 45 -4.286 -1.443 6.855 350 HD21 LEU 45 HD21 LEU 45 -1.066 -1.629 8.714 351 HD22 LEU 45 HD22 LEU 45 -2.666 -0.884 8.720 352 HD23 LEU 45 HD23 LEU 45 -1.485 -0.430 7.489 353 H THR 46 HN THR 46 -1.827 -6.722 8.975 354 HA THR 46 HA THR 46 -3.717 -6.906 11.213 355 HB THR 46 HB THR 46 -3.825 -9.369 10.535 356 HG1 THR 46 HG1 THR 46 -2.783 -8.350 8.086 357 HG21 THR 46 HG21 THR 46 -5.453 -8.922 8.770 358 HG22 THR 46 HG22 THR 46 -4.815 -7.289 8.578 359 HG23 THR 46 HG23 THR 46 -5.616 -7.752 10.080 360 H THR 47 HN THR 47 -0.583 -6.574 11.115 361 HA THR 47 HA THR 47 -0.228 -8.483 13.305 362 HB THR 47 HB THR 47 0.878 -9.486 11.377 363 HG1 THR 47 HG1 THR 47 1.810 -9.764 13.470 364 HG21 THR 47 HG21 THR 47 2.892 -8.448 10.404 365 HG22 THR 47 HG22 THR 47 2.569 -6.984 11.333 366 HG23 THR 47 HG23 THR 47 1.436 -7.505 10.085 367 H SER 48 HN SER 48 1.045 -5.482 11.798 368 HA SER 48 HA SER 48 2.569 -4.904 14.172 369 HG SER 48 HG SER 48 3.033 -2.484 14.056 370 HB2 SER 48 HB2 SER 48 3.386 -4.221 11.945 371 HB3 SER 48 HB1 SER 48 2.002 -3.141 11.779 372 H VAL 49 HN VAL 49 -0.417 -3.685 12.689 373 HA VAL 49 HA VAL 49 -0.782 -1.953 15.029 374 HB VAL 49 HB VAL 49 -2.539 -0.805 13.719 375 HG11 VAL 49 HG11 VAL 49 -1.021 0.300 12.123 376 HG12 VAL 49 HG12 VAL 49 0.158 -0.987 12.382 377 HG13 VAL 49 HG13 VAL 49 -0.289 0.082 13.711 378 HG21 VAL 49 HG21 VAL 49 -2.739 -1.238 11.316 379 HG22 VAL 49 HG22 VAL 49 -3.213 -2.641 12.274 380 HG23 VAL 49 HG23 VAL 49 -1.640 -2.608 11.478 381 HA PRO 50 HA PRO 50 -3.977 -4.474 16.720 382 HB2 PRO 50 HB2 PRO 50 -5.390 -2.004 17.490 383 HB3 PRO 50 HB1 PRO 50 -4.707 -3.271 18.514 384 HG2 PRO 50 HG2 PRO 50 -3.572 -0.848 18.344 385 HG3 PRO 50 HG1 PRO 50 -2.599 -2.321 18.516 386 HD2 PRO 50 HD2 PRO 50 -3.168 -0.698 16.063 387 HD3 PRO 50 HD1 PRO 50 -1.644 -1.442 16.595 388 H GLN 51 HN GLN 51 -5.853 -5.347 16.059 389 HA GLN 51 HA GLN 51 -6.952 -4.715 13.586 390 HB2 GLN 51 HB2 GLN 51 -8.127 -6.294 15.878 391 HB3 GLN 51 HB1 GLN 51 -8.860 -6.205 14.285 392 HG2 GLN 51 HG2 GLN 51 -7.717 -8.175 14.133 393 HG3 GLN 51 HG1 GLN 51 -6.531 -7.055 13.474 394 HE21 GLN 51 HE21 GLN 51 -6.192 -9.679 14.731 395 HE22 GLN 51 HE22 GLN 51 -5.099 -9.422 16.058 396 H THR 52 HN THR 52 -7.921 -3.687 16.805 397 HA THR 52 HA THR 52 -10.431 -2.615 16.092 398 HB THR 52 HB THR 52 -9.833 -3.126 18.422 399 HG1 THR 52 HG1 THR 52 -10.505 -0.395 17.911 400 HG21 THR 52 HG21 THR 52 -7.517 -2.399 18.449 401 HG22 THR 52 HG22 THR 52 -8.425 -1.555 19.704 402 HG23 THR 52 HG23 THR 52 -8.011 -0.725 18.204 403 H GLN 53 HN GLN 53 -7.236 -1.447 15.558 404 HA GLN 53 HA GLN 53 -8.288 1.240 14.962 405 HB2 GLN 53 HB2 GLN 53 -5.415 0.361 15.287 406 HB3 GLN 53 HB1 GLN 53 -5.956 2.001 14.961 407 HG2 GLN 53 HG2 GLN 53 -7.185 1.943 17.128 408 HG3 GLN 53 HG1 GLN 53 -6.420 0.388 17.454 409 HE21 GLN 53 HE21 GLN 53 -5.949 3.805 17.155 410 HE22 GLN 53 HE22 GLN 53 -4.357 3.863 17.827 411 H CYS 54 HN CYS 54 -7.080 -1.635 13.599 412 HA CYS 54 HA CYS 54 -5.745 -0.786 11.332 413 HG CYS 54 HG CYS 54 -4.806 -4.020 10.059 414 HB2 CYS 54 HB2 CYS 54 -5.872 -3.123 12.185 415 HB3 CYS 54 HB1 CYS 54 -7.514 -3.225 11.560 416 H GLU 55 HN GLU 55 -9.205 -1.638 11.599 417 HA GLU 55 HA GLU 55 -9.893 -1.081 8.952 418 HB2 GLU 55 HB2 GLU 55 -11.334 -2.289 10.583 419 HB3 GLU 55 HB1 GLU 55 -11.656 -0.760 11.388 420 HG2 GLU 55 HG2 GLU 55 -12.643 0.094 9.291 421 HG3 GLU 55 HG1 GLU 55 -12.399 -1.494 8.567 422 H ALA 56 HN ALA 56 -9.788 1.019 11.781 423 HA ALA 56 HA ALA 56 -11.020 3.261 10.590 424 HB1 ALA 56 HB1 ALA 56 -10.156 4.521 12.480 425 HB2 ALA 56 HB2 ALA 56 -9.070 3.194 12.891 426 HB3 ALA 56 HB3 ALA 56 -10.817 2.977 13.018 427 H LEU 57 HN LEU 57 -7.578 2.525 11.174 428 HA LEU 57 HA LEU 57 -6.632 4.886 9.938 429 HG LEU 57 HG LEU 57 -4.711 5.239 11.412 430 HB2 LEU 57 HB2 LEU 57 -5.389 2.344 10.863 431 HB3 LEU 57 HB1 LEU 57 -4.461 3.377 9.791 432 HD11 LEU 57 HD11 LEU 57 -5.491 4.770 13.676 433 HD12 LEU 57 HD12 LEU 57 -5.959 3.143 13.182 434 HD13 LEU 57 HD13 LEU 57 -6.778 4.545 12.492 435 HD21 LEU 57 HD21 LEU 57 -3.507 2.703 12.507 436 HD22 LEU 57 HD22 LEU 57 -3.159 4.334 13.082 437 HD23 LEU 57 HD23 LEU 57 -2.718 3.863 11.441 438 H ALA 58 HN ALA 58 -7.119 1.599 8.716 439 HA ALA 58 HA ALA 58 -5.865 2.001 6.219 440 HB1 ALA 58 HB1 ALA 58 -7.020 -0.006 5.493 441 HB2 ALA 58 HB2 ALA 58 -8.098 0.088 6.886 442 HB3 ALA 58 HB3 ALA 58 -6.378 -0.224 7.120 443 H GLN 59 HN GLN 59 -9.238 2.328 7.255 444 HA GLN 59 HA GLN 59 -10.207 3.055 4.682 445 HB2 GLN 59 HB2 GLN 59 -11.621 2.086 6.468 446 HB3 GLN 59 HB1 GLN 59 -11.441 3.568 7.391 447 HG2 GLN 59 HG2 GLN 59 -12.678 4.814 5.817 448 HG3 GLN 59 HG1 GLN 59 -12.616 3.512 4.630 449 HE21 GLN 59 HE21 GLN 59 -14.902 4.914 5.784 450 HE22 GLN 59 HE22 GLN 59 -15.909 3.681 6.474 451 H ALA 60 HN ALA 60 -9.059 4.870 7.484 452 HA ALA 60 HA ALA 60 -9.663 7.454 6.545 453 HB1 ALA 60 HB1 ALA 60 -8.976 7.015 8.849 454 HB2 ALA 60 HB2 ALA 60 -7.942 8.232 8.099 455 HB3 ALA 60 HB3 ALA 60 -7.361 6.579 8.291 456 H PHE 61 HN PHE 61 -6.909 5.317 6.015 457 HA PHE 61 HA PHE 61 -5.316 7.069 4.506 458 HD1 PHE 61 HD2 PHE 61 -2.872 6.652 4.176 459 HD2 PHE 61 HD1 PHE 61 -4.667 3.258 2.336 460 HE1 PHE 61 HE2 PHE 61 -1.107 6.650 2.459 461 HE2 PHE 61 HE1 PHE 61 -2.909 3.250 0.620 462 HZ PHE 61 HZ PHE 61 -1.127 4.949 0.679 463 HB2 PHE 61 HB2 PHE 61 -4.486 4.930 5.391 464 HB3 PHE 61 HB1 PHE 61 -5.554 4.055 4.300 465 H SER 62 HN SER 62 -7.971 4.929 3.607 466 HA SER 62 HA SER 62 -7.840 5.282 0.821 467 HG SER 62 HG SER 62 -9.627 4.395 -0.226 468 HB2 SER 62 HB2 SER 62 -9.253 3.579 2.034 469 HB3 SER 62 HB1 SER 62 -10.356 4.886 2.459 470 H ASN 63 HN ASN 63 -9.804 6.961 3.273 471 HA ASN 63 HA ASN 63 -10.984 8.862 1.622 472 HB2 ASN 63 HB2 ASN 63 -10.164 9.123 4.523 473 HB3 ASN 63 HB1 ASN 63 -11.228 10.244 3.684 474 HD21 ASN 63 HD21 ASN 63 -11.714 8.584 6.015 475 HD22 ASN 63 HD22 ASN 63 -13.080 7.582 5.622 476 H SER 64 HN SER 64 -7.838 8.875 3.194 477 HA SER 64 HA SER 64 -7.098 11.511 2.551 478 HG SER 64 HG SER 64 -6.659 9.462 4.699 479 HB2 SER 64 HB2 SER 64 -5.302 9.091 2.873 480 HB3 SER 64 HB1 SER 64 -4.804 10.779 2.986 481 H LEU 65 HN LEU 65 -6.700 8.441 0.824 482 HA LEU 65 HA LEU 65 -5.304 9.494 -1.400 483 HG LEU 65 HG LEU 65 -5.116 6.854 0.252 484 HB2 LEU 65 HB2 LEU 65 -7.083 7.062 -1.204 485 HB3 LEU 65 HB1 LEU 65 -6.039 7.427 -2.562 486 HD11 LEU 65 HD11 LEU 65 -4.244 4.782 -0.704 487 HD12 LEU 65 HD12 LEU 65 -4.964 5.197 -2.260 488 HD13 LEU 65 HD13 LEU 65 -5.997 4.882 -0.866 489 HD21 LEU 65 HD21 LEU 65 -3.612 8.397 -0.839 490 HD22 LEU 65 HD22 LEU 65 -3.566 7.381 -2.280 491 HD23 LEU 65 HD23 LEU 65 -2.871 6.798 -0.766 492 H ILE 66 HN ILE 66 -8.722 9.077 -0.665 493 HA ILE 66 HA ILE 66 -9.799 9.760 -3.161 494 HB ILE 66 HB ILE 66 -11.012 10.464 -0.478 495 HG12 ILE 66 HG12 ILE 66 -10.431 8.106 -0.455 496 HG13 ILE 66 HG11 ILE 66 -12.174 8.286 -0.613 497 HG21 ILE 66 HG21 ILE 66 -12.124 11.497 -2.364 498 HG22 ILE 66 HG22 ILE 66 -13.144 10.244 -1.658 499 HG23 ILE 66 HG23 ILE 66 -12.274 9.932 -3.161 500 HD11 ILE 66 HD11 ILE 66 -11.976 7.849 -3.021 501 HD12 ILE 66 HD12 ILE 66 -11.374 6.516 -2.035 502 HD13 ILE 66 HD13 ILE 66 -10.240 7.616 -2.818 503 H ASN 67 HN ASN 67 -8.972 11.788 -0.367 504 HA ASN 67 HA ASN 67 -9.634 14.264 -1.574 505 HB2 ASN 67 HB2 ASN 67 -7.873 13.494 0.745 506 HB3 ASN 67 HB1 ASN 67 -7.958 15.162 0.190 507 HD21 ASN 67 HD21 ASN 67 -8.836 13.775 2.694 508 HD22 ASN 67 HD22 ASN 67 -10.494 14.231 2.886 509 H ALA 68 HN ALA 68 -6.633 12.398 -1.399 510 HA ALA 68 HA ALA 68 -4.904 14.277 -2.552 511 HB1 ALA 68 HB1 ALA 68 -3.439 12.402 -3.044 512 HB2 ALA 68 HB2 ALA 68 -4.766 11.274 -2.771 513 HB3 ALA 68 HB3 ALA 68 -4.136 12.233 -1.432 514 H VAL 69 HN VAL 69 -6.857 11.723 -4.076 515 HA VAL 69 HA VAL 69 -6.073 12.184 -6.728 516 HB VAL 69 HB VAL 69 -8.702 11.146 -5.652 517 HG11 VAL 69 HG11 VAL 69 -7.659 11.066 -8.483 518 HG12 VAL 69 HG12 VAL 69 -9.012 12.040 -7.906 519 HG13 VAL 69 HG13 VAL 69 -9.126 10.279 -7.898 520 HG21 VAL 69 HG21 VAL 69 -7.790 8.954 -6.289 521 HG22 VAL 69 HG22 VAL 69 -6.787 9.762 -5.086 522 HG23 VAL 69 HG23 VAL 69 -6.284 9.731 -6.775 523 H LYS 70 HN LYS 70 -8.843 13.474 -4.912 524 HA LYS 70 HA LYS 70 -9.850 15.109 -6.938 525 HB2 LYS 70 HB2 LYS 70 -10.003 15.333 -3.940 526 HB3 LYS 70 HB1 LYS 70 -10.840 16.440 -5.021 527 HG2 LYS 70 HG2 LYS 70 -12.055 14.553 -6.005 528 HG3 LYS 70 HG1 LYS 70 -11.234 13.458 -4.889 529 HD2 LYS 70 HD2 LYS 70 -12.272 14.486 -3.006 530 HD3 LYS 70 HD1 LYS 70 -12.909 15.795 -4.001 531 HE2 LYS 70 HE2 LYS 70 -14.678 14.245 -3.513 532 HE3 LYS 70 HE1 LYS 70 -14.281 14.146 -5.225 533 HZ1 LYS 70 HZ1 LYS 70 -13.347 12.257 -3.139 534 HZ2 LYS 70 HZ2 LYS 70 -13.020 12.137 -4.799 535 HZ3 LYS 70 HZ3 LYS 70 -14.607 11.962 -4.227 536 H THR 71 HN THR 71 -7.331 15.722 -4.543 537 HA THR 71 HA THR 71 -6.986 18.459 -4.992 538 HB THR 71 HB THR 71 -4.871 16.414 -4.274 539 HG1 THR 71 HG1 THR 71 -6.611 16.452 -2.784 540 HG21 THR 71 HG21 THR 71 -4.922 19.417 -3.930 541 HG22 THR 71 HG22 THR 71 -3.843 18.495 -4.977 542 HG23 THR 71 HG23 THR 71 -3.716 18.340 -3.226 543 H ARG 72 HN ARG 72 -5.718 15.653 -6.727 544 HA ARG 72 HA ARG 72 -4.046 17.153 -8.485 545 HE ARG 72 HE ARG 72 -1.892 15.969 -10.057 546 HB2 ARG 72 HB2 ARG 72 -5.207 14.376 -8.752 547 HB3 ARG 72 HB1 ARG 72 -3.992 15.056 -9.822 548 HG2 ARG 72 HG2 ARG 72 -3.626 14.656 -6.859 549 HG3 ARG 72 HG1 ARG 72 -3.071 13.537 -8.103 550 HD2 ARG 72 HD2 ARG 72 -2.198 16.408 -7.765 551 HD3 ARG 72 HD1 ARG 72 -1.249 14.976 -7.369 552 HH11 ARG 72 HH11 ARG 72 -0.194 13.672 -8.012 553 HH12 ARG 72 HH12 ARG 72 0.773 13.047 -9.309 554 HH21 ARG 72 HH21 ARG 72 -0.616 15.152 -11.753 555 HH22 ARG 72 HH22 ARG 72 0.527 13.876 -11.446 556 H LEU 73 HN LEU 73 -7.337 15.861 -8.684 557 HA LEU 73 HA LEU 73 -7.781 16.722 -11.368 558 HG LEU 73 HG LEU 73 -9.268 14.853 -12.079 559 HB2 LEU 73 HB2 LEU 73 -9.495 15.656 -9.174 560 HB3 LEU 73 HB1 LEU 73 -10.275 16.464 -10.519 561 HD11 LEU 73 HD11 LEU 73 -8.131 12.867 -11.256 562 HD12 LEU 73 HD12 LEU 73 -8.208 13.490 -9.608 563 HD13 LEU 73 HD13 LEU 73 -7.240 14.326 -10.822 564 HD21 LEU 73 HD21 LEU 73 -10.610 12.933 -11.446 565 HD22 LEU 73 HD22 LEU 73 -11.479 14.431 -11.115 566 HD23 LEU 73 HD23 LEU 73 -10.727 13.538 -9.794 567 H GLU 74 HN GLU 74 -7.762 18.319 -8.365 568 HA GLU 74 HA GLU 74 -9.439 20.525 -9.114 569 HB2 GLU 74 HB2 GLU 74 -7.621 19.905 -6.822 570 HB3 GLU 74 HB1 GLU 74 -8.115 21.572 -7.085 571 HG2 GLU 74 HG2 GLU 74 -10.007 19.255 -6.754 572 HG3 GLU 74 HG1 GLU 74 -9.538 20.366 -5.467 573 H HIS 75 HN HIS 75 -7.075 19.701 -10.796 574 HA HIS 75 HA HIS 75 -5.205 21.787 -10.889 575 HD1 HIS 75 HD1 HIS 75 -5.806 21.476 -15.219 576 HD2 HIS 75 HD2 HIS 75 -2.665 21.350 -12.493 577 HE1 HIS 75 HE1 HIS 75 -3.841 22.511 -16.398 578 HE2 HIS 75 HE2 HIS 75 -1.903 22.153 -14.829 579 HB2 HIS 75 HB2 HIS 75 -5.022 19.665 -12.162 580 HB3 HIS 75 HB1 HIS 75 -6.368 20.171 -13.174 581 H HIS 76 HN HIS 76 -5.940 23.844 -10.751 582 HA HIS 76 HA HIS 76 -8.401 24.586 -12.114 583 HD1 HIS 76 HD1 HIS 76 -6.915 25.761 -7.890 584 HD2 HIS 76 HD2 HIS 76 -10.129 24.365 -10.134 585 HE1 HIS 76 HE1 HIS 76 -8.446 24.624 -6.250 586 HE2 HIS 76 HE2 HIS 76 -10.281 23.621 -7.654 587 HB2 HIS 76 HB2 HIS 76 -6.610 26.201 -10.288 588 HB3 HIS 76 HB1 HIS 76 -8.161 26.735 -10.922 589 H HIS 77 HN HIS 77 -8.363 25.296 -14.104 590 HA HIS 77 HA HIS 77 -6.294 27.244 -14.840 591 HD1 HIS 77 HD1 HIS 77 -7.119 25.743 -19.045 592 HD2 HIS 77 HD2 HIS 77 -4.329 27.700 -16.656 593 HE1 HIS 77 HE1 HIS 77 -5.829 27.246 -20.594 594 HE2 HIS 77 HE2 HIS 77 -4.106 28.386 -19.140 595 HB2 HIS 77 HB2 HIS 77 -5.723 25.063 -15.892 596 HB3 HIS 77 HB1 HIS 77 -7.295 25.057 -16.682 597 H HIS 78 HN HIS 78 -9.485 25.887 -15.350 598 HA HIS 78 HA HIS 78 -10.380 28.176 -16.886 599 HD1 HIS 78 HD1 HIS 78 -14.207 26.576 -15.317 600 HD2 HIS 78 HD2 HIS 78 -12.684 28.111 -18.873 601 HE1 HIS 78 HE1 HIS 78 -16.122 27.785 -16.414 602 HE2 HIS 78 HE2 HIS 78 -15.137 28.842 -18.480 603 HB2 HIS 78 HB2 HIS 78 -11.297 25.979 -17.424 604 HB3 HIS 78 HB1 HIS 78 -11.878 25.787 -15.775 605 H HIS 79 HN HIS 79 -10.771 26.823 -13.653 606 HA HIS 79 HA HIS 79 -12.298 29.159 -12.806 607 HD1 HIS 79 HD1 HIS 79 -11.164 28.067 -8.956 608 HD2 HIS 79 HD2 HIS 79 -14.833 28.643 -10.835 609 HE1 HIS 79 HE1 HIS 79 -12.619 29.228 -7.265 610 HE2 HIS 79 HE2 HIS 79 -14.835 29.581 -8.418 611 HB2 HIS 79 HB2 HIS 79 -12.946 26.881 -12.004 612 HB3 HIS 79 HB1 HIS 79 -11.405 26.778 -11.161 613 H HIS 80 HN HIS 80 -11.341 30.887 -12.031 614 HA HIS 80 HA HIS 80 -8.506 30.805 -11.379 615 HD1 HIS 80 HD1 HIS 80 -10.798 33.789 -13.942 616 HD2 HIS 80 HD2 HIS 80 -7.190 31.783 -13.411 617 HE1 HIS 80 HE1 HIS 80 -9.764 33.634 -16.226 618 HE2 HIS 80 HE2 HIS 80 -7.484 32.640 -15.835 619 HB2 HIS 80 HB2 HIS 80 -10.459 33.107 -11.589 620 HB3 HIS 80 HB1 HIS 80 -8.758 33.292 -11.172 621 HA MET 1 HA MET 1 -2.871 -20.260 0.831 622 H1 MET 1 HT1 MET 1 -0.589 -19.609 0.485 623 H2 MET 1 HT2 MET 1 -0.782 -20.273 2.029 624 H3 MET 1 HT3 MET 1 -0.639 -18.594 1.842 625 HB2 MET 1 HB2 MET 1 -2.744 -18.270 3.112 626 HB3 MET 1 HB1 MET 1 -4.212 -19.036 2.522 627 HG2 MET 1 HG2 MET 1 -1.864 -20.416 3.799 628 HG3 MET 1 HG1 MET 1 -3.436 -20.114 4.534 629 HE1 MET 1 HE1 MET 1 -3.581 -22.699 5.193 630 HE2 MET 1 HE2 MET 1 -2.011 -22.967 4.435 631 HE3 MET 1 HE3 MET 1 -3.375 -24.010 4.030 632 H ALA 2 HN ALA 2 -1.171 -18.430 -0.676 633 HA ALA 2 HA ALA 2 -2.587 -15.922 -0.867 634 HB1 ALA 2 HB1 ALA 2 -0.165 -15.997 -1.181 635 HB2 ALA 2 HB2 ALA 2 -0.975 -15.392 -2.626 636 HB3 ALA 2 HB3 ALA 2 -0.375 -17.050 -2.580 637 H GLN 3 HN GLN 3 -4.426 -15.724 -1.938 638 HA GLN 3 HA GLN 3 -4.740 -17.235 -4.427 639 HB2 GLN 3 HB2 GLN 3 -7.182 -17.447 -3.927 640 HB3 GLN 3 HB1 GLN 3 -6.138 -18.390 -2.873 641 HG2 GLN 3 HG2 GLN 3 -6.420 -16.825 -1.088 642 HG3 GLN 3 HG1 GLN 3 -7.293 -15.710 -2.137 643 HE21 GLN 3 HE21 GLN 3 -7.737 -19.185 -2.162 644 HE22 GLN 3 HE22 GLN 3 -9.355 -19.164 -1.538 645 H HIS 4 HN HIS 4 -4.181 -15.532 -5.676 646 HA HIS 4 HA HIS 4 -6.332 -13.593 -6.075 647 HD1 HIS 4 HD1 HIS 4 -3.529 -11.291 -3.401 648 HD2 HIS 4 HD2 HIS 4 -7.256 -11.657 -5.205 649 HE1 HIS 4 HE1 HIS 4 -5.116 -10.008 -1.940 650 HE2 HIS 4 HE2 HIS 4 -7.304 -10.041 -3.186 651 HB2 HIS 4 HB2 HIS 4 -3.518 -12.905 -5.346 652 HB3 HIS 4 HB1 HIS 4 -4.298 -11.927 -6.584 653 H SER 5 HN SER 5 -5.758 -15.921 -7.375 654 HA SER 5 HA SER 5 -3.898 -15.949 -9.398 655 HG SER 5 HG SER 5 -4.174 -17.834 -8.104 656 HB2 SER 5 HB2 SER 5 -6.612 -17.278 -9.404 657 HB3 SER 5 HB1 SER 5 -5.203 -17.767 -10.348 658 H LYS 6 HN LYS 6 -3.686 -14.252 -10.675 659 HA LYS 6 HA LYS 6 -5.793 -13.857 -12.675 660 HB2 LYS 6 HB2 LYS 6 -4.207 -11.743 -11.238 661 HB3 LYS 6 HB1 LYS 6 -4.865 -11.449 -12.840 662 HG2 LYS 6 HG2 LYS 6 -6.397 -12.067 -10.329 663 HG3 LYS 6 HG1 LYS 6 -6.376 -10.551 -11.235 664 HD2 LYS 6 HD2 LYS 6 -7.200 -12.087 -13.199 665 HD3 LYS 6 HD1 LYS 6 -7.714 -13.137 -11.877 666 HE2 LYS 6 HE2 LYS 6 -9.548 -11.714 -12.492 667 HE3 LYS 6 HE1 LYS 6 -8.954 -11.225 -10.905 668 HZ1 LYS 6 HZ1 LYS 6 -9.443 -9.400 -12.580 669 HZ2 LYS 6 HZ2 LYS 6 -8.031 -9.892 -13.383 670 HZ3 LYS 6 HZ3 LYS 6 -7.948 -9.327 -11.786 671 H TYR 7 HN TYR 7 -2.391 -13.520 -11.837 672 HA TYR 7 HA TYR 7 -1.714 -14.187 -14.622 673 HD1 TYR 7 HD2 TYR 7 -1.242 -12.030 -16.215 674 HD2 TYR 7 HD1 TYR 7 -1.293 -10.586 -12.211 675 HE1 TYR 7 HE2 TYR 7 -2.400 -9.995 -16.968 676 HE2 TYR 7 HE1 TYR 7 -2.452 -8.549 -12.954 677 HH TYR 7 HH TYR 7 -2.604 -7.233 -15.207 678 HB2 TYR 7 HB2 TYR 7 -0.071 -12.509 -12.713 679 HB3 TYR 7 HB1 TYR 7 0.346 -12.895 -14.379 680 H SER 8 HN SER 8 -0.110 -14.070 -11.450 681 HA SER 8 HA SER 8 0.212 -16.898 -11.307 682 HG SER 8 HG SER 8 2.969 -17.894 -11.809 683 HB2 SER 8 HB2 SER 8 2.016 -16.378 -12.894 684 HB3 SER 8 HB1 SER 8 2.662 -15.183 -11.770 685 H ASP 9 HN ASP 9 -0.301 -17.173 -9.236 686 HA ASP 9 HA ASP 9 0.144 -15.219 -7.216 687 HB2 ASP 9 HB2 ASP 9 -0.316 -18.197 -6.884 688 HB3 ASP 9 HB1 ASP 9 -0.464 -16.985 -5.617 689 H ALA 10 HN ALA 10 2.009 -17.667 -8.684 690 HA ALA 10 HA ALA 10 3.944 -17.998 -6.598 691 HB1 ALA 10 HB1 ALA 10 5.215 -19.245 -8.253 692 HB2 ALA 10 HB2 ALA 10 4.148 -18.666 -9.532 693 HB3 ALA 10 HB3 ALA 10 3.520 -19.738 -8.280 694 H GLN 11 HN GLN 11 3.829 -16.225 -9.689 695 HA GLN 11 HA GLN 11 6.344 -14.932 -9.337 696 HB2 GLN 11 HB2 GLN 11 3.912 -14.178 -10.965 697 HB3 GLN 11 HB1 GLN 11 5.398 -13.241 -10.980 698 HG2 GLN 11 HG2 GLN 11 5.100 -16.117 -11.816 699 HG3 GLN 11 HG1 GLN 11 5.288 -14.729 -12.887 700 HE21 GLN 11 HE21 GLN 11 7.292 -13.669 -12.982 701 HE22 GLN 11 HE22 GLN 11 8.746 -14.435 -12.434 702 H LEU 12 HN LEU 12 3.052 -14.167 -8.455 703 HA LEU 12 HA LEU 12 3.355 -11.592 -7.473 704 HG LEU 12 HG LEU 12 1.668 -11.893 -4.881 705 HB2 LEU 12 HB2 LEU 12 1.190 -12.679 -7.755 706 HB3 LEU 12 HB1 LEU 12 1.573 -13.813 -6.474 707 HD11 LEU 12 HD11 LEU 12 0.560 -10.363 -7.232 708 HD12 LEU 12 HD12 LEU 12 2.128 -10.113 -6.463 709 HD13 LEU 12 HD13 LEU 12 0.645 -9.776 -5.571 710 HD21 LEU 12 HD21 LEU 12 -0.932 -12.266 -6.361 711 HD22 LEU 12 HD22 LEU 12 -0.749 -11.629 -4.726 712 HD23 LEU 12 HD23 LEU 12 -0.314 -13.302 -5.075 713 H SER 13 HN SER 13 3.492 -14.651 -5.610 714 HA SER 13 HA SER 13 4.040 -13.457 -3.157 715 HG SER 13 HG SER 13 5.722 -16.501 -4.447 716 HB2 SER 13 HB2 SER 13 4.941 -15.727 -2.508 717 HB3 SER 13 HB1 SER 13 3.307 -15.724 -3.170 718 H ALA 14 HN ALA 14 6.271 -14.575 -5.676 719 HA ALA 14 HA ALA 14 8.653 -14.248 -4.235 720 HB1 ALA 14 HB1 ALA 14 8.224 -13.866 -7.201 721 HB2 ALA 14 HB2 ALA 14 8.527 -15.406 -6.396 722 HB3 ALA 14 HB3 ALA 14 9.769 -14.155 -6.399 723 H ILE 15 HN ILE 15 6.746 -11.925 -6.095 724 HA ILE 15 HA ILE 15 8.596 -9.776 -5.855 725 HB ILE 15 HB ILE 15 5.618 -9.697 -6.382 726 HG12 ILE 15 HG12 ILE 15 7.963 -9.529 -8.291 727 HG13 ILE 15 HG11 ILE 15 6.960 -10.956 -8.056 728 HG21 ILE 15 HG21 ILE 15 6.431 -7.558 -5.543 729 HG22 ILE 15 HG22 ILE 15 6.024 -7.442 -7.256 730 HG23 ILE 15 HG23 ILE 15 7.712 -7.557 -6.755 731 HD11 ILE 15 HD11 ILE 15 5.018 -9.723 -8.878 732 HD12 ILE 15 HD12 ILE 15 6.322 -9.753 -10.065 733 HD13 ILE 15 HD13 ILE 15 6.028 -8.298 -9.116 734 H VAL 16 HN VAL 16 5.604 -10.582 -4.076 735 HA VAL 16 HA VAL 16 5.705 -8.352 -2.342 736 HB VAL 16 HB VAL 16 4.513 -10.902 -1.341 737 HG11 VAL 16 HG11 VAL 16 4.354 -8.781 -0.087 738 HG12 VAL 16 HG12 VAL 16 2.780 -9.434 -0.540 739 HG13 VAL 16 HG13 VAL 16 3.462 -8.079 -1.441 740 HG21 VAL 16 HG21 VAL 16 3.938 -10.973 -3.699 741 HG22 VAL 16 HG22 VAL 16 3.334 -9.318 -3.619 742 HG23 VAL 16 HG23 VAL 16 2.516 -10.599 -2.724 743 H ASN 17 HN ASN 17 6.857 -11.672 -2.029 744 HA ASN 17 HA ASN 17 7.830 -11.687 0.556 745 HB2 ASN 17 HB2 ASN 17 7.809 -13.706 -0.741 746 HB3 ASN 17 HB1 ASN 17 8.883 -13.011 -1.949 747 HD21 ASN 17 HD21 ASN 17 8.639 -14.468 1.166 748 HD22 ASN 17 HD22 ASN 17 10.337 -14.700 1.423 749 H ASP 18 HN ASP 18 9.476 -10.638 -2.392 750 HA ASP 18 HA ASP 18 11.956 -10.094 -1.209 751 HB2 ASP 18 HB2 ASP 18 11.564 -10.430 -3.642 752 HB3 ASP 18 HB1 ASP 18 10.755 -8.870 -3.700 753 H MET 19 HN MET 19 9.264 -7.942 -2.121 754 HA MET 19 HA MET 19 10.443 -5.545 -1.340 755 HB2 MET 19 HB2 MET 19 7.515 -6.284 -1.307 756 HB3 MET 19 HB1 MET 19 8.139 -4.645 -1.175 757 HG2 MET 19 HG2 MET 19 9.210 -4.954 -3.402 758 HG3 MET 19 HG1 MET 19 8.373 -6.501 -3.529 759 HE1 MET 19 HE1 MET 19 4.608 -5.243 -3.314 760 HE2 MET 19 HE2 MET 19 5.652 -5.603 -1.938 761 HE3 MET 19 HE3 MET 19 5.652 -6.665 -3.346 762 H ILE 20 HN ILE 20 8.513 -7.816 0.589 763 HA ILE 20 HA ILE 20 8.454 -6.244 2.939 764 HB ILE 20 HB ILE 20 8.275 -9.249 2.642 765 HG12 ILE 20 HG12 ILE 20 6.122 -7.147 2.982 766 HG13 ILE 20 HG11 ILE 20 6.511 -7.963 1.473 767 HG21 ILE 20 HG21 ILE 20 8.913 -8.704 4.908 768 HG22 ILE 20 HG22 ILE 20 7.221 -9.202 4.876 769 HG23 ILE 20 HG23 ILE 20 7.635 -7.492 5.008 770 HD11 ILE 20 HD11 ILE 20 4.526 -8.899 2.532 771 HD12 ILE 20 HD12 ILE 20 5.474 -9.293 3.966 772 HD13 ILE 20 HD13 ILE 20 5.826 -10.087 2.432 773 H ALA 21 HN ALA 21 10.710 -8.727 1.791 774 HA ALA 21 HA ALA 21 12.344 -8.746 4.107 775 HB1 ALA 21 HB1 ALA 21 12.351 -10.571 2.486 776 HB2 ALA 21 HB2 ALA 21 13.972 -9.917 2.719 777 HB3 ALA 21 HB3 ALA 21 13.051 -9.500 1.273 778 H VAL 22 HN VAL 22 12.495 -6.966 1.051 779 HA VAL 22 HA VAL 22 14.920 -5.622 1.461 780 HB VAL 22 HB VAL 22 12.474 -4.539 0.044 781 HG11 VAL 22 HG11 VAL 22 14.131 -2.825 0.458 782 HG12 VAL 22 HG12 VAL 22 14.100 -3.231 -1.258 783 HG13 VAL 22 HG13 VAL 22 15.395 -3.845 -0.230 784 HG21 VAL 22 HG21 VAL 22 14.708 -6.272 -1.004 785 HG22 VAL 22 HG22 VAL 22 13.526 -5.441 -2.015 786 HG23 VAL 22 HG23 VAL 22 12.996 -6.695 -0.889 787 H LEU 23 HN LEU 23 11.607 -4.748 2.347 788 HA LEU 23 HA LEU 23 12.128 -2.264 3.527 789 HG LEU 23 HG LEU 23 10.015 -1.215 4.320 790 HB2 LEU 23 HB2 LEU 23 9.899 -3.340 2.915 791 HB3 LEU 23 HB1 LEU 23 10.019 -4.230 4.417 792 HD11 LEU 23 HD11 LEU 23 7.688 -3.101 4.663 793 HD12 LEU 23 HD12 LEU 23 7.962 -2.023 3.296 794 HD13 LEU 23 HD13 LEU 23 7.634 -1.353 4.894 795 HD21 LEU 23 HD21 LEU 23 10.870 -2.192 6.385 796 HD22 LEU 23 HD22 LEU 23 9.424 -3.191 6.523 797 HD23 LEU 23 HD23 LEU 23 9.298 -1.437 6.656 798 H GLU 24 HN GLU 24 11.882 -5.488 4.991 799 HA GLU 24 HA GLU 24 12.386 -4.731 7.638 800 HB2 GLU 24 HB2 GLU 24 11.425 -6.894 6.954 801 HB3 GLU 24 HB1 GLU 24 12.975 -7.361 6.271 802 HG2 GLU 24 HG2 GLU 24 13.980 -7.245 8.504 803 HG3 GLU 24 HG1 GLU 24 12.407 -6.813 9.174 804 H LYS 25 HN LYS 25 14.589 -5.762 5.066 805 HA LYS 25 HA LYS 25 16.892 -5.772 6.775 806 HB2 LYS 25 HB2 LYS 25 16.551 -7.169 4.685 807 HB3 LYS 25 HB1 LYS 25 16.867 -5.710 3.760 808 HG2 LYS 25 HG2 LYS 25 19.096 -5.565 4.646 809 HG3 LYS 25 HG1 LYS 25 18.788 -6.915 5.739 810 HD2 LYS 25 HD2 LYS 25 18.756 -7.061 2.727 811 HD3 LYS 25 HD1 LYS 25 20.081 -7.594 3.762 812 HE2 LYS 25 HE2 LYS 25 18.586 -9.220 4.825 813 HE3 LYS 25 HE1 LYS 25 17.272 -8.693 3.775 814 HZ1 LYS 25 HZ1 LYS 25 19.813 -9.958 2.887 815 HZ2 LYS 25 HZ2 LYS 25 18.571 -9.425 1.861 816 HZ3 LYS 25 HZ3 LYS 25 18.289 -10.702 2.937 817 H HIS 26 HN HIS 26 15.203 -3.373 5.004 818 HA HIS 26 HA HIS 26 17.415 -1.517 4.852 819 HD1 HIS 26 HD1 HIS 26 16.580 1.382 5.275 820 HD2 HIS 26 HD2 HIS 26 15.901 0.084 1.392 821 HE1 HIS 26 HE1 HIS 26 17.435 3.219 3.786 822 HE2 HIS 26 HE2 HIS 26 17.290 2.259 1.460 823 HB2 HIS 26 HB2 HIS 26 15.270 -1.641 3.341 824 HB3 HIS 26 HB1 HIS 26 14.532 -0.692 4.626 825 H LYS 27 HN LYS 27 15.286 -2.600 7.200 826 HA LYS 27 HA LYS 27 15.010 -2.117 9.390 827 HB2 LYS 27 HB2 LYS 27 17.565 -1.651 9.046 828 HB3 LYS 27 HB1 LYS 27 17.094 0.032 9.248 829 HG2 LYS 27 HG2 LYS 27 16.157 -0.476 11.432 830 HG3 LYS 27 HG1 LYS 27 16.576 -2.178 11.228 831 HD2 LYS 27 HD2 LYS 27 18.973 -1.446 10.978 832 HD3 LYS 27 HD1 LYS 27 18.452 0.167 11.469 833 HE2 LYS 27 HE2 LYS 27 19.325 -1.049 13.373 834 HE3 LYS 27 HE1 LYS 27 17.596 -0.761 13.570 835 HZ1 LYS 27 HZ1 LYS 27 17.140 -3.013 12.933 836 HZ2 LYS 27 HZ2 LYS 27 18.289 -3.033 14.177 837 HZ3 LYS 27 HZ3 LYS 27 18.773 -3.303 12.575 838 H ALA 28 HN ALA 28 13.460 -0.748 7.407 839 HA ALA 28 HA ALA 28 13.112 1.973 8.311 840 HB1 ALA 28 HB1 ALA 28 12.738 1.420 5.962 841 HB2 ALA 28 HB2 ALA 28 11.269 2.053 6.704 842 HB3 ALA 28 HB3 ALA 28 11.436 0.321 6.417 843 HA PRO 29 HA PRO 29 10.319 0.709 11.575 844 HB2 PRO 29 HB2 PRO 29 9.714 3.192 12.462 845 HB3 PRO 29 HB1 PRO 29 11.258 2.409 12.818 846 HG2 PRO 29 HG2 PRO 29 10.610 4.469 10.748 847 HG3 PRO 29 HG1 PRO 29 12.024 4.358 11.812 848 HD2 PRO 29 HD2 PRO 29 12.046 3.573 9.206 849 HD3 PRO 29 HD1 PRO 29 13.082 2.846 10.450 850 H VAL 30 HN VAL 30 8.045 0.838 11.996 851 HA VAL 30 HA VAL 30 6.480 0.875 9.676 852 HB VAL 30 HB VAL 30 4.494 0.784 11.188 853 HG11 VAL 30 HG11 VAL 30 6.712 -1.127 11.918 854 HG12 VAL 30 HG12 VAL 30 5.716 -1.235 10.467 855 HG13 VAL 30 HG13 VAL 30 4.977 -1.424 12.058 856 HG21 VAL 30 HG21 VAL 30 6.568 0.920 13.376 857 HG22 VAL 30 HG22 VAL 30 4.855 0.565 13.596 858 HG23 VAL 30 HG23 VAL 30 5.360 2.152 13.015 859 H ASP 31 HN ASP 31 7.331 3.462 11.805 860 HA ASP 31 HA ASP 31 5.276 5.289 11.217 861 HB2 ASP 31 HB2 ASP 31 8.195 5.766 11.867 862 HB3 ASP 31 HB1 ASP 31 6.996 7.047 11.759 863 H LEU 32 HN LEU 32 8.574 5.331 9.905 864 HA LEU 32 HA LEU 32 7.850 7.134 7.826 865 HG LEU 32 HG LEU 32 9.974 7.257 10.014 866 HB2 LEU 32 HB2 LEU 32 10.369 5.532 8.277 867 HB3 LEU 32 HB1 LEU 32 10.186 6.763 7.042 868 HD11 LEU 32 HD11 LEU 32 12.251 6.685 9.334 869 HD12 LEU 32 HD12 LEU 32 12.114 8.384 9.787 870 HD13 LEU 32 HD13 LEU 32 12.190 7.929 8.084 871 HD21 LEU 32 HD21 LEU 32 10.025 9.620 9.371 872 HD22 LEU 32 HD22 LEU 32 8.618 8.793 8.704 873 HD23 LEU 32 HD23 LEU 32 10.001 9.154 7.671 874 H SER 33 HN SER 33 8.183 3.663 8.056 875 HA SER 33 HA SER 33 8.285 3.094 5.294 876 HG SER 33 HG SER 33 6.834 0.024 5.976 877 HB2 SER 33 HB2 SER 33 8.840 1.439 7.054 878 HB3 SER 33 HB1 SER 33 7.141 1.389 7.524 879 H LEU 34 HN LEU 34 5.593 3.501 7.560 880 HA LEU 34 HA LEU 34 3.528 2.807 5.771 881 HG LEU 34 HG LEU 34 1.297 2.964 6.779 882 HB2 LEU 34 HB2 LEU 34 3.402 3.089 8.302 883 HB3 LEU 34 HB1 LEU 34 3.324 4.813 8.015 884 HD11 LEU 34 HD11 LEU 34 1.196 4.203 9.525 885 HD12 LEU 34 HD12 LEU 34 1.332 2.483 9.169 886 HD13 LEU 34 HD13 LEU 34 -0.130 3.362 8.725 887 HD21 LEU 34 HD21 LEU 34 -0.107 4.959 6.859 888 HD22 LEU 34 HD22 LEU 34 1.385 5.279 5.974 889 HD23 LEU 34 HD23 LEU 34 1.200 5.860 7.628 890 H ILE 35 HN ILE 35 5.069 5.904 6.573 891 HA ILE 35 HA ILE 35 3.419 7.433 4.835 892 HB ILE 35 HB ILE 35 6.202 8.208 5.706 893 HG12 ILE 35 HG12 ILE 35 3.589 8.632 7.183 894 HG13 ILE 35 HG11 ILE 35 4.823 7.465 7.645 895 HG21 ILE 35 HG21 ILE 35 5.300 10.485 5.522 896 HG22 ILE 35 HG22 ILE 35 3.750 9.824 5.000 897 HG23 ILE 35 HG23 ILE 35 5.182 9.617 3.991 898 HD11 ILE 35 HD11 ILE 35 6.398 9.280 8.036 899 HD12 ILE 35 HD12 ILE 35 4.938 9.469 9.007 900 HD13 ILE 35 HD13 ILE 35 5.168 10.453 7.562 901 H ALA 36 HN ALA 36 6.517 5.775 4.381 902 HA ALA 36 HA ALA 36 7.122 6.705 1.816 903 HB1 ALA 36 HB1 ALA 36 8.705 5.414 3.163 904 HB2 ALA 36 HB2 ALA 36 8.464 4.671 1.582 905 HB3 ALA 36 HB3 ALA 36 7.683 3.986 3.006 906 H LEU 37 HN LEU 37 5.362 3.775 2.825 907 HA LEU 37 HA LEU 37 4.552 2.963 0.273 908 HG LEU 37 HG LEU 37 5.390 1.531 2.885 909 HB2 LEU 37 HB2 LEU 37 3.166 2.594 2.931 910 HB3 LEU 37 HB1 LEU 37 2.734 1.742 1.460 911 HD11 LEU 37 HD11 LEU 37 3.070 -0.385 2.732 912 HD12 LEU 37 HD12 LEU 37 3.613 0.495 4.161 913 HD13 LEU 37 HD13 LEU 37 4.646 -0.738 3.438 914 HD21 LEU 37 HD21 LEU 37 5.808 -0.326 1.336 915 HD22 LEU 37 HD22 LEU 37 5.618 1.207 0.486 916 HD23 LEU 37 HD23 LEU 37 4.297 0.039 0.503 917 H GLY 38 HN GLY 38 3.093 5.215 2.566 918 HA2 GLY 38 HA2 GLY 38 0.711 5.723 1.165 919 HA3 GLY 38 HA1 GLY 38 1.486 6.829 2.289 920 H ASN 39 HN ASN 39 3.751 7.606 1.157 921 HA ASN 39 HA ASN 39 2.991 9.393 -0.865 922 HB2 ASN 39 HB2 ASN 39 5.663 8.469 0.154 923 HB3 ASN 39 HB1 ASN 39 5.557 9.571 -1.216 924 HD21 ASN 39 HD21 ASN 39 6.646 9.978 1.475 925 HD22 ASN 39 HD22 ASN 39 5.800 11.346 2.115 926 H MET 40 HN MET 40 4.568 6.243 -1.051 927 HA MET 40 HA MET 40 5.109 6.329 -3.828 928 HB2 MET 40 HB2 MET 40 6.230 4.774 -2.283 929 HB3 MET 40 HB1 MET 40 4.710 3.930 -2.030 930 HG2 MET 40 HG2 MET 40 4.672 3.270 -4.375 931 HG3 MET 40 HG1 MET 40 6.177 4.147 -4.650 932 HE1 MET 40 HE1 MET 40 7.346 0.427 -4.915 933 HE2 MET 40 HE2 MET 40 7.345 2.012 -5.687 934 HE3 MET 40 HE3 MET 40 5.832 1.128 -5.491 935 H ALA 41 HN ALA 41 2.471 4.795 -1.981 936 HA ALA 41 HA ALA 41 1.118 3.677 -4.151 937 HB1 ALA 41 HB1 ALA 41 -0.833 3.562 -2.687 938 HB2 ALA 41 HB2 ALA 41 -0.060 4.676 -1.559 939 HB3 ALA 41 HB3 ALA 41 0.633 3.078 -1.836 940 H SER 42 HN SER 42 0.530 6.805 -2.536 941 HA SER 42 HA SER 42 -1.580 7.611 -4.177 942 HG SER 42 HG SER 42 0.903 8.615 -1.739 943 HB2 SER 42 HB2 SER 42 -0.875 9.963 -3.472 944 HB3 SER 42 HB1 SER 42 -1.236 8.828 -2.173 945 H ASN 43 HN ASN 43 1.901 8.260 -4.492 946 HA ASN 43 HA ASN 43 1.808 9.793 -6.822 947 HB2 ASN 43 HB2 ASN 43 3.837 9.610 -5.500 948 HB3 ASN 43 HB1 ASN 43 3.951 7.890 -5.855 949 HD21 ASN 43 HD21 ASN 43 4.744 7.226 -7.821 950 HD22 ASN 43 HD22 ASN 43 5.484 8.305 -8.949 951 H LEU 44 HN LEU 44 1.916 6.278 -6.407 952 HA LEU 44 HA LEU 44 2.212 5.677 -9.159 953 HG LEU 44 HG LEU 44 3.511 4.462 -6.614 954 HB2 LEU 44 HB2 LEU 44 1.128 4.024 -6.881 955 HB3 LEU 44 HB1 LEU 44 1.403 3.401 -8.496 956 HD11 LEU 44 HD11 LEU 44 2.649 2.261 -6.002 957 HD12 LEU 44 HD12 LEU 44 4.305 2.157 -6.598 958 HD13 LEU 44 HD13 LEU 44 2.961 1.681 -7.638 959 HD21 LEU 44 HD21 LEU 44 4.038 5.008 -8.932 960 HD22 LEU 44 HD22 LEU 44 3.777 3.327 -9.395 961 HD23 LEU 44 HD23 LEU 44 5.112 3.748 -8.321 962 H LEU 45 HN LEU 45 -0.666 5.627 -7.043 963 HA LEU 45 HA LEU 45 -2.394 4.871 -9.161 964 HG LEU 45 HG LEU 45 -3.197 3.323 -7.904 965 HB2 LEU 45 HB2 LEU 45 -2.829 5.821 -6.370 966 HB3 LEU 45 HB1 LEU 45 -4.192 5.718 -7.475 967 HD11 LEU 45 HD11 LEU 45 -2.311 3.917 -5.096 968 HD12 LEU 45 HD12 LEU 45 -1.278 3.522 -6.471 969 HD13 LEU 45 HD13 LEU 45 -2.384 2.312 -5.820 970 HD21 LEU 45 HD21 LEU 45 -4.881 4.021 -5.507 971 HD22 LEU 45 HD22 LEU 45 -4.780 2.433 -6.269 972 HD23 LEU 45 HD23 LEU 45 -5.464 3.795 -7.156 973 H THR 46 HN THR 46 -0.994 7.809 -8.476 974 HA THR 46 HA THR 46 -3.089 9.209 -9.996 975 HB THR 46 HB THR 46 -1.897 11.318 -9.354 976 HG1 THR 46 HG1 THR 46 -0.541 9.688 -7.454 977 HG21 THR 46 HG21 THR 46 -2.851 9.588 -7.072 978 HG22 THR 46 HG22 THR 46 -3.877 10.537 -8.146 979 HG23 THR 46 HG23 THR 46 -2.747 11.349 -7.063 980 H THR 47 HN THR 47 -0.636 7.428 -10.858 981 HA THR 47 HA THR 47 0.089 9.197 -13.077 982 HB THR 47 HB THR 47 2.157 7.634 -11.524 983 HG1 THR 47 HG1 THR 47 1.743 9.339 -10.228 984 HG21 THR 47 HG21 THR 47 3.766 8.896 -12.881 985 HG22 THR 47 HG22 THR 47 2.435 9.657 -13.752 986 HG23 THR 47 HG23 THR 47 2.700 7.920 -13.890 987 H SER 48 HN SER 48 0.187 5.868 -11.775 988 HA SER 48 HA SER 48 0.993 4.858 -14.375 989 HG SER 48 HG SER 48 0.385 2.458 -11.193 990 HB2 SER 48 HB2 SER 48 1.021 2.637 -13.216 991 HB3 SER 48 HB1 SER 48 2.056 3.852 -12.465 992 H VAL 49 HN VAL 49 -1.865 4.753 -12.310 993 HA VAL 49 HA VAL 49 -3.280 3.195 -14.340 994 HB VAL 49 HB VAL 49 -5.114 3.028 -12.704 995 HG11 VAL 49 HG11 VAL 49 -3.414 1.308 -12.709 996 HG12 VAL 49 HG12 VAL 49 -3.943 1.618 -11.054 997 HG13 VAL 49 HG13 VAL 49 -2.403 2.264 -11.624 998 HG21 VAL 49 HG21 VAL 49 -3.286 4.571 -10.866 999 HG22 VAL 49 HG22 VAL 49 -4.813 3.816 -10.410 1000 HG23 VAL 49 HG23 VAL 49 -4.799 5.159 -11.554 1001 HA PRO 50 HA PRO 50 -5.481 6.571 -16.120 1002 HB2 PRO 50 HB2 PRO 50 -8.067 5.546 -16.078 1003 HB3 PRO 50 HB1 PRO 50 -6.870 5.260 -17.345 1004 HG2 PRO 50 HG2 PRO 50 -7.663 3.530 -15.055 1005 HG3 PRO 50 HG1 PRO 50 -7.195 3.074 -16.702 1006 HD2 PRO 50 HD2 PRO 50 -5.524 2.797 -14.611 1007 HD3 PRO 50 HD1 PRO 50 -4.938 3.216 -16.234 1008 H GLN 51 HN GLN 51 -5.881 8.394 -15.110 1009 HA GLN 51 HA GLN 51 -6.646 8.664 -12.436 1010 HB2 GLN 51 HB2 GLN 51 -6.965 11.056 -12.966 1011 HB3 GLN 51 HB1 GLN 51 -5.449 10.418 -13.585 1012 HG2 GLN 51 HG2 GLN 51 -6.346 10.297 -15.810 1013 HG3 GLN 51 HG1 GLN 51 -7.946 10.749 -15.229 1014 HE21 GLN 51 HE21 GLN 51 -8.065 12.511 -16.574 1015 HE22 GLN 51 HE22 GLN 51 -7.138 13.951 -16.312 1016 H THR 52 HN THR 52 -8.580 8.136 -15.212 1017 HA THR 52 HA THR 52 -11.006 9.288 -14.435 1018 HB THR 52 HB THR 52 -10.648 6.714 -15.974 1019 HG1 THR 52 HG1 THR 52 -10.502 8.033 -17.805 1020 HG21 THR 52 HG21 THR 52 -12.946 7.158 -15.295 1021 HG22 THR 52 HG22 THR 52 -12.762 7.354 -17.039 1022 HG23 THR 52 HG23 THR 52 -12.853 8.774 -15.995 1023 H GLN 53 HN GLN 53 -9.477 6.240 -13.550 1024 HA GLN 53 HA GLN 53 -11.823 5.581 -11.874 1025 HB2 GLN 53 HB2 GLN 53 -11.300 3.217 -12.238 1026 HB3 GLN 53 HB1 GLN 53 -11.579 4.039 -13.768 1027 HG2 GLN 53 HG2 GLN 53 -9.198 4.165 -14.174 1028 HG3 GLN 53 HG1 GLN 53 -8.868 3.429 -12.608 1029 HE21 GLN 53 HE21 GLN 53 -11.466 2.431 -14.742 1030 HE22 GLN 53 HE22 GLN 53 -10.800 0.877 -15.121 1031 H CYS 54 HN CYS 54 -8.839 6.763 -11.631 1032 HA CYS 54 HA CYS 54 -7.397 4.977 -10.025 1033 HG CYS 54 HG CYS 54 -6.634 9.391 -9.226 1034 HB2 CYS 54 HB2 CYS 54 -6.035 6.918 -9.372 1035 HB3 CYS 54 HB1 CYS 54 -6.338 6.883 -11.104 1036 H GLU 55 HN GLU 55 -9.600 7.597 -9.079 1037 HA GLU 55 HA GLU 55 -9.241 7.395 -6.310 1038 HB2 GLU 55 HB2 GLU 55 -10.403 9.270 -7.437 1039 HB3 GLU 55 HB1 GLU 55 -11.754 8.200 -7.788 1040 HG2 GLU 55 HG2 GLU 55 -12.085 7.875 -5.368 1041 HG3 GLU 55 HG1 GLU 55 -10.785 9.025 -5.060 1042 H ALA 56 HN ALA 56 -11.439 5.711 -8.495 1043 HA ALA 56 HA ALA 56 -12.921 4.345 -6.520 1044 HB1 ALA 56 HB1 ALA 56 -13.707 4.603 -8.824 1045 HB2 ALA 56 HB2 ALA 56 -13.670 2.907 -8.343 1046 HB3 ALA 56 HB3 ALA 56 -12.405 3.555 -9.386 1047 H LEU 57 HN LEU 57 -10.030 3.485 -8.376 1048 HA LEU 57 HA LEU 57 -9.773 0.874 -7.313 1049 HG LEU 57 HG LEU 57 -8.614 -0.229 -9.185 1050 HB2 LEU 57 HB2 LEU 57 -8.048 2.722 -8.855 1051 HB3 LEU 57 HB1 LEU 57 -7.243 1.431 -7.984 1052 HD11 LEU 57 HD11 LEU 57 -10.589 1.132 -9.606 1053 HD12 LEU 57 HD12 LEU 57 -9.956 0.455 -11.108 1054 HD13 LEU 57 HD13 LEU 57 -9.666 2.149 -10.712 1055 HD21 LEU 57 HD21 LEU 57 -7.549 0.054 -11.377 1056 HD22 LEU 57 HD22 LEU 57 -6.434 0.369 -10.049 1057 HD23 LEU 57 HD23 LEU 57 -7.133 1.714 -10.950 1058 H ALA 58 HN ALA 58 -8.508 4.011 -6.296 1059 HA ALA 58 HA ALA 58 -6.850 3.061 -4.218 1060 HB1 ALA 58 HB1 ALA 58 -8.294 5.705 -4.418 1061 HB2 ALA 58 HB2 ALA 58 -6.703 5.346 -5.089 1062 HB3 ALA 58 HB3 ALA 58 -6.946 5.337 -3.342 1063 H GLN 59 HN GLN 59 -10.223 4.128 -4.280 1064 HA GLN 59 HA GLN 59 -10.810 3.720 -1.561 1065 HB2 GLN 59 HB2 GLN 59 -12.245 4.947 -3.213 1066 HB3 GLN 59 HB1 GLN 59 -12.693 3.396 -3.905 1067 HG2 GLN 59 HG2 GLN 59 -13.629 2.739 -1.718 1068 HG3 GLN 59 HG1 GLN 59 -13.270 4.358 -1.119 1069 HE21 GLN 59 HE21 GLN 59 -15.430 4.812 -0.731 1070 HE22 GLN 59 HE22 GLN 59 -16.549 5.123 -2.016 1071 H ALA 60 HN ALA 60 -11.204 1.620 -4.387 1072 HA ALA 60 HA ALA 60 -12.320 -0.579 -3.031 1073 HB1 ALA 60 HB1 ALA 60 -10.767 -0.552 -5.613 1074 HB2 ALA 60 HB2 ALA 60 -12.495 -0.243 -5.449 1075 HB3 ALA 60 HB3 ALA 60 -11.843 -1.835 -5.056 1076 H PHE 61 HN PHE 61 -8.983 0.343 -3.664 1077 HA PHE 61 HA PHE 61 -7.723 -2.059 -2.975 1078 HD1 PHE 61 HD2 PHE 61 -5.115 -2.218 -3.950 1079 HD2 PHE 61 HD1 PHE 61 -5.236 0.587 -0.752 1080 HE1 PHE 61 HE2 PHE 61 -2.992 -3.111 -3.093 1081 HE2 PHE 61 HE1 PHE 61 -3.108 -0.302 0.110 1082 HZ PHE 61 HZ PHE 61 -1.986 -2.155 -1.059 1083 HB2 PHE 61 HB2 PHE 61 -6.543 -0.160 -4.009 1084 HB3 PHE 61 HB1 PHE 61 -6.753 0.779 -2.536 1085 H SER 62 HN SER 62 -8.379 0.792 -0.941 1086 HA SER 62 HA SER 62 -7.604 -0.483 1.473 1087 HG SER 62 HG SER 62 -8.112 2.066 3.326 1088 HB2 SER 62 HB2 SER 62 -7.603 1.942 1.292 1089 HB3 SER 62 HB1 SER 62 -9.342 1.949 1.000 1090 H ASN 63 HN ASN 63 -10.674 -0.080 -0.189 1091 HA ASN 63 HA ASN 63 -12.412 -1.037 1.756 1092 HB2 ASN 63 HB2 ASN 63 -12.878 -0.068 -0.613 1093 HB3 ASN 63 HB1 ASN 63 -12.758 -1.744 -1.143 1094 HD21 ASN 63 HD21 ASN 63 -14.605 0.598 0.571 1095 HD22 ASN 63 HD22 ASN 63 -16.013 -0.385 0.824 1096 H SER 64 HN SER 64 -10.474 -2.799 -0.629 1097 HA SER 64 HA SER 64 -11.399 -5.380 0.104 1098 HG SER 64 HG SER 64 -9.394 -6.898 -0.287 1099 HB2 SER 64 HB2 SER 64 -10.268 -4.930 -2.054 1100 HB3 SER 64 HB1 SER 64 -8.767 -4.608 -1.186 1101 H LEU 65 HN LEU 65 -8.891 -3.252 1.313 1102 HA LEU 65 HA LEU 65 -7.570 -5.114 2.980 1103 HG LEU 65 HG LEU 65 -6.792 -2.544 1.265 1104 HB2 LEU 65 HB2 LEU 65 -7.937 -2.142 3.407 1105 HB3 LEU 65 HB1 LEU 65 -6.765 -3.156 4.223 1106 HD11 LEU 65 HD11 LEU 65 -4.974 -1.586 3.471 1107 HD12 LEU 65 HD12 LEU 65 -6.165 -0.615 2.607 1108 HD13 LEU 65 HD13 LEU 65 -4.766 -1.261 1.750 1109 HD21 LEU 65 HD21 LEU 65 -4.622 -3.665 1.231 1110 HD22 LEU 65 HD22 LEU 65 -5.904 -4.765 1.739 1111 HD23 LEU 65 HD23 LEU 65 -4.806 -4.079 2.936 1112 H ILE 66 HN ILE 66 -10.215 -2.825 3.600 1113 HA ILE 66 HA ILE 66 -10.746 -3.396 6.264 1114 HB ILE 66 HB ILE 66 -12.937 -2.964 4.232 1115 HG12 ILE 66 HG12 ILE 66 -11.229 -1.308 3.729 1116 HG13 ILE 66 HG11 ILE 66 -12.599 -0.530 4.512 1117 HG21 ILE 66 HG21 ILE 66 -14.008 -1.737 6.071 1118 HG22 ILE 66 HG22 ILE 66 -12.644 -2.135 7.116 1119 HG23 ILE 66 HG23 ILE 66 -13.679 -3.418 6.488 1120 HD11 ILE 66 HD11 ILE 66 -10.006 -1.273 5.841 1121 HD12 ILE 66 HD12 ILE 66 -11.369 -0.453 6.607 1122 HD13 ILE 66 HD13 ILE 66 -10.477 0.340 5.306 1123 H ASN 67 HN ASN 67 -11.943 -4.967 3.342 1124 HA ASN 67 HA ASN 67 -13.586 -6.884 4.596 1125 HB2 ASN 67 HB2 ASN 67 -13.680 -6.216 2.185 1126 HB3 ASN 67 HB1 ASN 67 -12.183 -7.103 1.926 1127 HD21 ASN 67 HD21 ASN 67 -15.579 -7.319 2.508 1128 HD22 ASN 67 HD22 ASN 67 -15.734 -9.018 2.199 1129 H ALA 68 HN ALA 68 -10.218 -6.986 3.497 1130 HA ALA 68 HA ALA 68 -9.754 -9.713 4.028 1131 HB1 ALA 68 HB1 ALA 68 -8.321 -8.337 2.569 1132 HB2 ALA 68 HB2 ALA 68 -7.398 -9.188 3.807 1133 HB3 ALA 68 HB3 ALA 68 -7.737 -7.467 3.987 1134 H VAL 69 HN VAL 69 -9.354 -6.811 6.010 1135 HA VAL 69 HA VAL 69 -8.066 -7.996 8.197 1136 HB VAL 69 HB VAL 69 -9.995 -5.665 8.180 1137 HG11 VAL 69 HG11 VAL 69 -8.075 -6.554 10.334 1138 HG12 VAL 69 HG12 VAL 69 -9.837 -6.589 10.423 1139 HG13 VAL 69 HG13 VAL 69 -8.987 -5.046 10.334 1140 HG21 VAL 69 HG21 VAL 69 -8.042 -5.272 6.804 1141 HG22 VAL 69 HG22 VAL 69 -6.980 -5.788 8.114 1142 HG23 VAL 69 HG23 VAL 69 -7.930 -4.310 8.279 1143 H LYS 70 HN LYS 70 -11.552 -7.534 7.597 1144 HA LYS 70 HA LYS 70 -12.345 -8.803 10.007 1145 HB2 LYS 70 HB2 LYS 70 -13.890 -8.338 7.456 1146 HB3 LYS 70 HB1 LYS 70 -14.599 -8.891 8.970 1147 HG2 LYS 70 HG2 LYS 70 -13.676 -6.781 10.014 1148 HG3 LYS 70 HG1 LYS 70 -13.335 -6.234 8.371 1149 HD2 LYS 70 HD2 LYS 70 -15.704 -6.491 7.803 1150 HD3 LYS 70 HD1 LYS 70 -16.038 -7.018 9.453 1151 HE2 LYS 70 HE2 LYS 70 -15.108 -4.832 10.244 1152 HE3 LYS 70 HE1 LYS 70 -15.044 -4.320 8.559 1153 HZ1 LYS 70 HZ1 LYS 70 -17.445 -4.991 10.160 1154 HZ2 LYS 70 HZ2 LYS 70 -17.480 -4.823 8.474 1155 HZ3 LYS 70 HZ3 LYS 70 -17.049 -3.504 9.443 1156 H THR 71 HN THR 71 -11.700 -9.980 6.775 1157 HA THR 71 HA THR 71 -12.630 -12.628 7.214 1158 HB THR 71 HB THR 71 -10.518 -11.680 5.259 1159 HG1 THR 71 HG1 THR 71 -12.328 -10.574 4.698 1160 HG21 THR 71 HG21 THR 71 -12.291 -14.126 5.224 1161 HG22 THR 71 HG22 THR 71 -10.556 -14.113 5.538 1162 HG23 THR 71 HG23 THR 71 -11.168 -13.645 3.952 1163 H ARG 72 HN ARG 72 -9.740 -10.910 8.069 1164 HA ARG 72 HA ARG 72 -8.230 -13.261 8.770 1165 HE ARG 72 HE ARG 72 -4.523 -14.184 10.524 1166 HB2 ARG 72 HB2 ARG 72 -7.165 -11.090 8.144 1167 HB3 ARG 72 HB1 ARG 72 -7.799 -10.390 9.625 1168 HG2 ARG 72 HG2 ARG 72 -5.531 -10.940 10.020 1169 HG3 ARG 72 HG1 ARG 72 -6.511 -12.122 10.891 1170 HD2 ARG 72 HD2 ARG 72 -6.204 -13.703 9.014 1171 HD3 ARG 72 HD1 ARG 72 -5.158 -12.523 8.223 1172 HH11 ARG 72 HH11 ARG 72 -3.598 -11.471 8.499 1173 HH12 ARG 72 HH12 ARG 72 -1.944 -11.473 9.027 1174 HH21 ARG 72 HH21 ARG 72 -2.333 -14.197 11.202 1175 HH22 ARG 72 HH22 ARG 72 -1.231 -13.020 10.548 1176 H LEU 73 HN LEU 73 -10.505 -11.116 10.293 1177 HA LEU 73 HA LEU 73 -10.087 -12.082 12.963 1178 HG LEU 73 HG LEU 73 -10.644 -10.065 14.306 1179 HB2 LEU 73 HB2 LEU 73 -12.007 -10.266 11.616 1180 HB3 LEU 73 HB1 LEU 73 -12.557 -11.032 13.092 1181 HD11 LEU 73 HD11 LEU 73 -9.241 -8.378 13.266 1182 HD12 LEU 73 HD12 LEU 73 -10.041 -8.645 11.717 1183 HD13 LEU 73 HD13 LEU 73 -9.064 -9.926 12.436 1184 HD21 LEU 73 HD21 LEU 73 -12.795 -8.882 14.193 1185 HD22 LEU 73 HD22 LEU 73 -12.223 -8.011 12.769 1186 HD23 LEU 73 HD23 LEU 73 -11.426 -7.777 14.325 1187 H GLU 74 HN GLU 74 -11.782 -13.153 10.197 1188 HA GLU 74 HA GLU 74 -13.696 -14.848 11.326 1189 HB2 GLU 74 HB2 GLU 74 -12.263 -14.680 8.743 1190 HB3 GLU 74 HB1 GLU 74 -12.928 -16.258 9.146 1191 HG2 GLU 74 HG2 GLU 74 -14.530 -13.717 9.162 1192 HG3 GLU 74 HG1 GLU 74 -14.417 -14.808 7.779 1193 H HIS 75 HN HIS 75 -12.895 -15.823 13.152 1194 HA HIS 75 HA HIS 75 -10.504 -17.399 13.103 1195 HD1 HIS 75 HD1 HIS 75 -13.566 -19.084 15.849 1196 HD2 HIS 75 HD2 HIS 75 -13.499 -14.956 15.371 1197 HE1 HIS 75 HE1 HIS 75 -15.820 -18.275 16.614 1198 HE2 HIS 75 HE2 HIS 75 -15.673 -15.764 16.515 1199 HB2 HIS 75 HB2 HIS 75 -11.238 -18.132 15.391 1200 HB3 HIS 75 HB1 HIS 75 -11.085 -16.392 15.197 1201 H HIS 76 HN HIS 76 -10.314 -19.633 13.175 1202 HA HIS 76 HA HIS 76 -12.221 -20.942 11.494 1203 HD1 HIS 76 HD1 HIS 76 -10.231 -22.848 9.353 1204 HD2 HIS 76 HD2 HIS 76 -8.592 -19.626 11.414 1205 HE1 HIS 76 HE1 HIS 76 -8.845 -21.595 7.667 1206 HE2 HIS 76 HE2 HIS 76 -7.706 -19.770 8.985 1207 HB2 HIS 76 HB2 HIS 76 -9.710 -21.940 12.834 1208 HB3 HIS 76 HB1 HIS 76 -10.714 -22.944 11.794 1209 H HIS 77 HN HIS 77 -14.096 -20.884 12.725 1210 HA HIS 77 HA HIS 77 -14.254 -23.086 14.679 1211 HD1 HIS 77 HD1 HIS 77 -14.793 -22.693 17.576 1212 HD2 HIS 77 HD2 HIS 77 -18.304 -21.665 15.591 1213 HE1 HIS 77 HE1 HIS 77 -16.670 -23.559 19.013 1214 HE2 HIS 77 HE2 HIS 77 -18.783 -22.810 17.860 1215 HB2 HIS 77 HB2 HIS 77 -14.563 -20.813 15.707 1216 HB3 HIS 77 HB1 HIS 77 -15.958 -20.577 14.663 1217 H HIS 78 HN HIS 78 -14.759 -22.391 11.653 1218 HA HIS 78 HA HIS 78 -17.556 -23.185 11.396 1219 HD1 HIS 78 HD1 HIS 78 -18.774 -20.801 9.183 1220 HD2 HIS 78 HD2 HIS 78 -14.973 -20.034 10.689 1221 HE1 HIS 78 HE1 HIS 78 -18.716 -18.338 9.656 1222 HE2 HIS 78 HE2 HIS 78 -16.321 -17.866 10.261 1223 HB2 HIS 78 HB2 HIS 78 -15.527 -22.488 9.255 1224 HB3 HIS 78 HB1 HIS 78 -17.240 -22.780 8.992 1225 H HIS 79 HN HIS 79 -17.970 -25.288 11.466 1226 HA HIS 79 HA HIS 79 -15.897 -27.190 10.683 1227 HD1 HIS 79 HD1 HIS 79 -15.472 -29.436 12.961 1228 HD2 HIS 79 HD2 HIS 79 -18.825 -30.215 10.619 1229 HE1 HIS 79 HE1 HIS 79 -15.440 -31.915 12.525 1230 HE2 HIS 79 HE2 HIS 79 -17.423 -32.357 11.032 1231 HB2 HIS 79 HB2 HIS 79 -17.125 -27.484 12.841 1232 HB3 HIS 79 HB1 HIS 79 -18.610 -27.715 11.926 1233 H HIS 80 HN HIS 80 -18.874 -25.844 9.553 1234 HA HIS 80 HA HIS 80 -19.130 -27.976 7.546 1235 HD1 HIS 80 HD1 HIS 80 -22.163 -29.289 8.360 1236 HD2 HIS 80 HD2 HIS 80 -21.809 -26.587 5.222 1237 HE1 HIS 80 HE1 HIS 80 -23.460 -30.295 6.450 1238 HE2 HIS 80 HE2 HIS 80 -23.391 -28.549 4.629 1239 HB2 HIS 80 HB2 HIS 80 -21.095 -27.156 9.062 1240 HB3 HIS 80 HB1 HIS 80 -21.160 -25.800 7.941 Start of MODEL 14 1 HA MET 1 HA MET 1 16.540 20.556 18.638 2 H1 MET 1 HT1 MET 1 17.496 18.891 16.384 3 H2 MET 1 HT2 MET 1 16.600 18.350 17.718 4 H3 MET 1 HT3 MET 1 18.174 18.941 17.938 5 HB2 MET 1 HB2 MET 1 18.664 21.363 17.732 6 HB3 MET 1 HB1 MET 1 18.011 21.304 16.100 7 HG2 MET 1 HG2 MET 1 16.348 23.006 16.737 8 HG3 MET 1 HG1 MET 1 17.087 23.098 18.335 9 HE1 MET 1 HE1 MET 1 16.619 25.625 16.432 10 HE2 MET 1 HE2 MET 1 18.145 26.481 16.647 11 HE3 MET 1 HE3 MET 1 17.351 25.735 18.032 12 H ALA 2 HN ALA 2 16.398 20.190 15.086 13 HA ALA 2 HA ALA 2 13.528 20.144 15.110 14 HB1 ALA 2 HB1 ALA 2 14.909 22.544 13.907 15 HB2 ALA 2 HB2 ALA 2 13.915 22.552 15.364 16 HB3 ALA 2 HB3 ALA 2 13.187 22.175 13.803 17 H GLN 3 HN GLN 3 12.722 19.275 13.266 18 HA GLN 3 HA GLN 3 14.658 18.637 11.138 19 HB2 GLN 3 HB2 GLN 3 12.060 17.280 11.895 20 HB3 GLN 3 HB1 GLN 3 13.054 16.829 10.518 21 HG2 GLN 3 HG2 GLN 3 14.033 16.789 13.360 22 HG3 GLN 3 HG1 GLN 3 13.310 15.399 12.554 23 HE21 GLN 3 HE21 GLN 3 15.195 14.199 12.777 24 HE22 GLN 3 HE22 GLN 3 16.592 14.498 11.801 25 H HIS 4 HN HIS 4 13.528 18.419 8.926 26 HA HIS 4 HA HIS 4 11.654 20.674 8.621 27 HD1 HIS 4 HD1 HIS 4 12.115 23.098 7.533 28 HD2 HIS 4 HD2 HIS 4 12.643 20.619 4.225 29 HE1 HIS 4 HE1 HIS 4 11.179 24.365 5.570 30 HE2 HIS 4 HE2 HIS 4 11.581 22.884 3.567 31 HB2 HIS 4 HB2 HIS 4 13.980 21.049 7.719 32 HB3 HIS 4 HB1 HIS 4 13.681 19.750 6.571 33 H SER 5 HN SER 5 10.646 18.205 9.159 34 HA SER 5 HA SER 5 8.769 17.845 7.133 35 HG SER 5 HG SER 5 11.912 16.451 7.467 36 HB2 SER 5 HB2 SER 5 9.458 15.462 6.450 37 HB3 SER 5 HB1 SER 5 10.360 16.791 5.722 38 H LYS 6 HN LYS 6 10.203 15.054 8.631 39 HA LYS 6 HA LYS 6 8.553 15.220 11.018 40 HB2 LYS 6 HB2 LYS 6 8.317 12.982 8.993 41 HB3 LYS 6 HB1 LYS 6 7.831 12.795 10.672 42 HG2 LYS 6 HG2 LYS 6 6.217 14.632 10.380 43 HG3 LYS 6 HG1 LYS 6 6.673 14.730 8.677 44 HD2 LYS 6 HD2 LYS 6 5.906 12.473 8.300 45 HD3 LYS 6 HD1 LYS 6 5.570 12.264 10.019 46 HE2 LYS 6 HE2 LYS 6 4.200 14.190 8.147 47 HE3 LYS 6 HE1 LYS 6 3.519 12.697 8.790 48 HZ1 LYS 6 HZ1 LYS 6 4.123 15.211 10.228 49 HZ2 LYS 6 HZ2 LYS 6 3.941 13.744 11.059 50 HZ3 LYS 6 HZ3 LYS 6 2.654 14.361 10.144 51 H TYR 7 HN TYR 7 10.247 12.616 9.337 52 HA TYR 7 HA TYR 7 12.261 12.574 11.460 53 HD1 TYR 7 HD2 TYR 7 9.278 10.509 10.297 54 HD2 TYR 7 HD1 TYR 7 12.789 9.542 12.496 55 HE1 TYR 7 HE2 TYR 7 7.899 9.366 11.985 56 HE2 TYR 7 HE1 TYR 7 11.423 8.398 14.188 57 HH TYR 7 HH TYR 7 8.164 7.594 13.717 58 HB2 TYR 7 HB2 TYR 7 11.583 10.593 9.272 59 HB3 TYR 7 HB1 TYR 7 12.989 10.430 10.319 60 H SER 8 HN SER 8 12.439 11.879 7.985 61 HA SER 8 HA SER 8 13.883 14.279 7.419 62 HG SER 8 HG SER 8 15.265 13.391 9.140 63 HB2 SER 8 HB2 SER 8 15.290 11.610 7.200 64 HB3 SER 8 HB1 SER 8 15.883 13.117 6.501 65 H ASP 9 HN ASP 9 13.176 14.925 5.494 66 HA ASP 9 HA ASP 9 11.654 13.378 3.730 67 HB2 ASP 9 HB2 ASP 9 11.651 15.818 3.632 68 HB3 ASP 9 HB1 ASP 9 13.349 15.827 3.171 69 H ALA 10 HN ALA 10 15.060 13.763 4.149 70 HA ALA 10 HA ALA 10 15.896 12.562 1.709 71 HB1 ALA 10 HB1 ALA 10 17.379 12.800 4.327 72 HB2 ALA 10 HB2 ALA 10 17.376 14.000 3.034 73 HB3 ALA 10 HB3 ALA 10 18.090 12.410 2.761 74 H GLN 11 HN GLN 11 15.236 11.391 4.975 75 HA GLN 11 HA GLN 11 16.030 8.704 4.551 76 HB2 GLN 11 HB2 GLN 11 14.149 10.015 6.503 77 HB3 GLN 11 HB1 GLN 11 14.362 8.272 6.471 78 HG2 GLN 11 HG2 GLN 11 16.620 10.220 6.837 79 HG3 GLN 11 HG1 GLN 11 15.726 9.487 8.169 80 HE21 GLN 11 HE21 GLN 11 18.540 9.259 7.511 81 HE22 GLN 11 HE22 GLN 11 18.846 7.570 7.293 82 H LEU 12 HN LEU 12 12.888 10.328 4.370 83 HA LEU 12 HA LEU 12 11.368 8.067 3.744 84 HG LEU 12 HG LEU 12 9.351 9.388 1.781 85 HB2 LEU 12 HB2 LEU 12 10.394 10.189 4.500 86 HB3 LEU 12 HB1 LEU 12 10.850 10.941 2.981 87 HD11 LEU 12 HD11 LEU 12 7.745 8.049 3.052 88 HD12 LEU 12 HD12 LEU 12 8.560 8.499 4.550 89 HD13 LEU 12 HD13 LEU 12 9.405 7.528 3.344 90 HD21 LEU 12 HD21 LEU 12 8.529 11.583 2.420 91 HD22 LEU 12 HD22 LEU 12 8.032 10.953 3.993 92 HD23 LEU 12 HD23 LEU 12 7.239 10.379 2.523 93 H SER 13 HN SER 13 12.607 10.594 1.525 94 HA SER 13 HA SER 13 11.640 9.459 -0.815 95 HG SER 13 HG SER 13 14.063 12.009 0.439 96 HB2 SER 13 HB2 SER 13 13.513 10.722 -1.953 97 HB3 SER 13 HB1 SER 13 12.462 11.684 -0.914 98 H ALA 14 HN ALA 14 14.687 8.816 0.870 99 HA ALA 14 HA ALA 14 15.877 7.183 -1.064 100 HB1 ALA 14 HB1 ALA 14 17.218 6.273 0.760 101 HB2 ALA 14 HB2 ALA 14 16.109 6.980 1.935 102 HB3 ALA 14 HB3 ALA 14 17.071 8.026 0.892 103 H ILE 15 HN ILE 15 13.752 6.320 1.647 104 HA ILE 15 HA ILE 15 13.791 3.541 1.228 105 HB ILE 15 HB ILE 15 11.637 5.232 2.508 106 HG12 ILE 15 HG12 ILE 15 13.919 3.682 3.759 107 HG13 ILE 15 HG11 ILE 15 13.889 5.429 3.543 108 HG21 ILE 15 HG21 ILE 15 12.130 2.259 2.679 109 HG22 ILE 15 HG22 ILE 15 10.769 3.049 1.881 110 HG23 ILE 15 HG23 ILE 15 10.949 3.158 3.632 111 HD11 ILE 15 HD11 ILE 15 12.006 3.818 5.251 112 HD12 ILE 15 HD12 ILE 15 11.946 5.566 5.022 113 HD13 ILE 15 HD13 ILE 15 13.335 4.828 5.819 114 H VAL 16 HN VAL 16 11.522 6.041 0.067 115 HA VAL 16 HA VAL 16 9.773 4.127 -1.145 116 HB VAL 16 HB VAL 16 9.843 6.954 -2.124 117 HG11 VAL 16 HG11 VAL 16 7.557 5.158 -1.326 118 HG12 VAL 16 HG12 VAL 16 8.205 5.290 -2.964 119 HG13 VAL 16 HG13 VAL 16 7.454 6.690 -2.197 120 HG21 VAL 16 HG21 VAL 16 8.545 7.710 -0.189 121 HG22 VAL 16 HG22 VAL 16 10.172 7.210 0.274 122 HG23 VAL 16 HG23 VAL 16 8.800 6.148 0.588 123 H ASN 17 HN ASN 17 12.519 6.026 -2.200 124 HA ASN 17 HA ASN 17 12.281 5.483 -4.981 125 HB2 ASN 17 HB2 ASN 17 13.631 7.347 -3.977 126 HB3 ASN 17 HB1 ASN 17 14.797 6.145 -3.436 127 HD21 ASN 17 HD21 ASN 17 16.431 7.071 -4.651 128 HD22 ASN 17 HD22 ASN 17 16.507 6.905 -6.368 129 H ASP 18 HN ASP 18 13.684 3.757 -2.273 130 HA ASP 18 HA ASP 18 15.196 1.886 -3.728 131 HB2 ASP 18 HB2 ASP 18 13.985 1.911 -0.981 132 HB3 ASP 18 HB1 ASP 18 14.619 0.404 -1.631 133 H MET 19 HN MET 19 11.875 1.928 -2.531 134 HA MET 19 HA MET 19 11.064 -0.593 -3.405 135 HB2 MET 19 HB2 MET 19 9.437 1.951 -3.236 136 HB3 MET 19 HB1 MET 19 8.766 0.334 -3.395 137 HG2 MET 19 HG2 MET 19 9.779 -0.282 -1.247 138 HG3 MET 19 HG1 MET 19 10.401 1.359 -1.086 139 HE1 MET 19 HE1 MET 19 8.646 -0.076 1.141 140 HE2 MET 19 HE2 MET 19 7.549 1.228 1.596 141 HE3 MET 19 HE3 MET 19 9.254 1.572 1.301 142 H ILE 20 HN ILE 20 11.173 2.485 -5.138 143 HA ILE 20 HA ILE 20 9.997 1.633 -7.543 144 HB ILE 20 HB ILE 20 12.173 3.703 -7.173 145 HG12 ILE 20 HG12 ILE 20 9.163 4.026 -7.233 146 HG13 ILE 20 HG11 ILE 20 10.162 4.111 -5.787 147 HG21 ILE 20 HG21 ILE 20 11.937 3.016 -9.500 148 HG22 ILE 20 HG22 ILE 20 11.338 4.658 -9.270 149 HG23 ILE 20 HG23 ILE 20 10.201 3.319 -9.425 150 HD11 ILE 20 HD11 ILE 20 9.544 6.323 -6.583 151 HD12 ILE 20 HD12 ILE 20 10.308 5.984 -8.137 152 HD13 ILE 20 HD13 ILE 20 11.289 6.078 -6.674 153 H ALA 21 HN ALA 21 13.380 1.593 -6.460 154 HA ALA 21 HA ALA 21 14.441 0.463 -8.832 155 HB1 ALA 21 HB1 ALA 21 15.538 0.331 -6.024 156 HB2 ALA 21 HB2 ALA 21 15.836 1.624 -7.187 157 HB3 ALA 21 HB3 ALA 21 16.432 -0.005 -7.507 158 H VAL 22 HN VAL 22 13.200 -0.934 -5.838 159 HA VAL 22 HA VAL 22 13.857 -3.618 -6.270 160 HB VAL 22 HB VAL 22 11.342 -2.581 -4.937 161 HG11 VAL 22 HG11 VAL 22 11.442 -4.664 -3.651 162 HG12 VAL 22 HG12 VAL 22 12.837 -5.176 -4.599 163 HG13 VAL 22 HG13 VAL 22 11.270 -4.967 -5.379 164 HG21 VAL 22 HG21 VAL 22 14.097 -3.022 -3.789 165 HG22 VAL 22 HG22 VAL 22 12.646 -2.754 -2.825 166 HG23 VAL 22 HG23 VAL 22 13.227 -1.486 -3.908 167 H LEU 23 HN LEU 23 11.061 -1.729 -7.282 168 HA LEU 23 HA LEU 23 9.574 -3.722 -8.554 169 HG LEU 23 HG LEU 23 7.840 -2.706 -10.231 170 HB2 LEU 23 HB2 LEU 23 8.672 -1.536 -8.018 171 HB3 LEU 23 HB1 LEU 23 9.812 -0.759 -9.093 172 HD11 LEU 23 HD11 LEU 23 6.237 -0.878 -10.516 173 HD12 LEU 23 HD12 LEU 23 7.265 0.174 -9.545 174 HD13 LEU 23 HD13 LEU 23 6.507 -1.240 -8.812 175 HD21 LEU 23 HD21 LEU 23 9.596 -1.791 -11.674 176 HD22 LEU 23 HD22 LEU 23 9.088 -0.154 -11.261 177 HD23 LEU 23 HD23 LEU 23 8.004 -1.210 -12.165 178 H GLU 24 HN GLU 24 12.143 -1.626 -9.776 179 HA GLU 24 HA GLU 24 11.872 -2.469 -12.482 180 HB2 GLU 24 HB2 GLU 24 12.764 -0.275 -11.894 181 HB3 GLU 24 HB1 GLU 24 14.127 -1.027 -11.079 182 HG2 GLU 24 HG2 GLU 24 14.713 -0.143 -13.285 183 HG3 GLU 24 HG1 GLU 24 14.964 -1.883 -13.165 184 H LYS 25 HN LYS 25 14.074 -3.351 -9.842 185 HA LYS 25 HA LYS 25 15.817 -4.911 -11.422 186 HB2 LYS 25 HB2 LYS 25 15.248 -4.992 -8.461 187 HB3 LYS 25 HB1 LYS 25 16.527 -5.917 -9.238 188 HG2 LYS 25 HG2 LYS 25 17.506 -3.789 -10.044 189 HG3 LYS 25 HG1 LYS 25 16.277 -2.920 -9.123 190 HD2 LYS 25 HD2 LYS 25 17.094 -3.951 -7.062 191 HD3 LYS 25 HD1 LYS 25 18.319 -4.827 -7.983 192 HE2 LYS 25 HE2 LYS 25 19.272 -2.675 -8.709 193 HE3 LYS 25 HE1 LYS 25 18.080 -1.833 -7.720 194 HZ1 LYS 25 HZ1 LYS 25 20.192 -3.676 -6.744 195 HZ2 LYS 25 HZ2 LYS 25 18.999 -2.970 -5.767 196 HZ3 LYS 25 HZ3 LYS 25 20.148 -1.991 -6.541 197 H HIS 26 HN HIS 26 12.938 -5.803 -9.535 198 HA HIS 26 HA HIS 26 13.271 -8.592 -10.285 199 HD1 HIS 26 HD1 HIS 26 10.344 -10.043 -10.315 200 HD2 HIS 26 HD2 HIS 26 12.473 -9.946 -6.752 201 HE1 HIS 26 HE1 HIS 26 10.255 -12.386 -9.410 202 HE2 HIS 26 HE2 HIS 26 11.740 -12.345 -7.373 203 HB2 HIS 26 HB2 HIS 26 12.249 -7.616 -8.060 204 HB3 HIS 26 HB1 HIS 26 10.769 -7.547 -9.012 205 H LYS 27 HN LYS 27 11.976 -5.827 -11.599 206 HA LYS 27 HA LYS 27 10.801 -5.337 -13.449 207 HB2 LYS 27 HB2 LYS 27 12.268 -7.157 -14.407 208 HB3 LYS 27 HB1 LYS 27 10.927 -8.265 -14.166 209 HG2 LYS 27 HG2 LYS 27 10.877 -7.596 -16.435 210 HG3 LYS 27 HG1 LYS 27 9.546 -6.765 -15.629 211 HD2 LYS 27 HD2 LYS 27 12.223 -5.448 -15.985 212 HD3 LYS 27 HD1 LYS 27 11.015 -5.425 -17.268 213 HE2 LYS 27 HE2 LYS 27 9.436 -4.314 -15.800 214 HE3 LYS 27 HE1 LYS 27 10.574 -4.417 -14.458 215 HZ1 LYS 27 HZ1 LYS 27 11.135 -2.955 -16.975 216 HZ2 LYS 27 HZ2 LYS 27 12.047 -2.920 -15.549 217 HZ3 LYS 27 HZ3 LYS 27 10.502 -2.218 -15.590 218 H ALA 28 HN ALA 28 8.994 -4.775 -12.246 219 HA ALA 28 HA ALA 28 6.741 -6.629 -12.608 220 HB1 ALA 28 HB1 ALA 28 7.386 -6.587 -10.239 221 HB2 ALA 28 HB2 ALA 28 5.786 -5.891 -10.496 222 HB3 ALA 28 HB3 ALA 28 7.174 -4.837 -10.219 223 HA PRO 29 HA PRO 29 5.021 -3.040 -14.644 224 HB2 PRO 29 HB2 PRO 29 2.473 -4.452 -14.613 225 HB3 PRO 29 HB1 PRO 29 3.491 -4.031 -15.989 226 HG2 PRO 29 HG2 PRO 29 3.136 -6.584 -15.119 227 HG3 PRO 29 HG1 PRO 29 4.603 -6.030 -15.944 228 HD2 PRO 29 HD2 PRO 29 4.124 -6.501 -13.033 229 HD3 PRO 29 HD1 PRO 29 5.574 -6.823 -14.007 230 H VAL 30 HN VAL 30 3.173 -1.568 -14.291 231 HA VAL 30 HA VAL 30 3.053 -0.802 -11.583 232 HB VAL 30 HB VAL 30 1.412 0.900 -12.306 233 HG11 VAL 30 HG11 VAL 30 3.786 1.357 -12.495 234 HG12 VAL 30 HG12 VAL 30 2.917 2.086 -13.846 235 HG13 VAL 30 HG13 VAL 30 3.829 0.595 -14.086 236 HG21 VAL 30 HG21 VAL 30 1.643 -0.442 -14.999 237 HG22 VAL 30 HG22 VAL 30 0.833 1.092 -14.679 238 HG23 VAL 30 HG23 VAL 30 0.207 -0.400 -13.977 239 H ASP 31 HN ASP 31 1.112 -3.066 -13.283 240 HA ASP 31 HA ASP 31 -1.123 -2.728 -11.451 241 HB2 ASP 31 HB2 ASP 31 -2.306 -4.343 -12.780 242 HB3 ASP 31 HB1 ASP 31 -1.526 -3.208 -13.872 243 H LEU 32 HN LEU 32 1.293 -5.212 -12.273 244 HA LEU 32 HA LEU 32 0.541 -7.015 -10.240 245 HG LEU 32 HG LEU 32 1.255 -7.724 -12.997 246 HB2 LEU 32 HB2 LEU 32 3.091 -6.628 -11.777 247 HB3 LEU 32 HB1 LEU 32 2.965 -7.834 -10.511 248 HD11 LEU 32 HD11 LEU 32 2.469 -9.744 -13.644 249 HD12 LEU 32 HD12 LEU 32 3.488 -9.593 -12.212 250 HD13 LEU 32 HD13 LEU 32 3.558 -8.366 -13.477 251 HD21 LEU 32 HD21 LEU 32 1.384 -9.751 -10.766 252 HD22 LEU 32 HD22 LEU 32 0.451 -9.919 -12.254 253 HD23 LEU 32 HD23 LEU 32 0.046 -8.650 -11.098 254 H SER 33 HN SER 33 2.929 -4.395 -10.285 255 HA SER 33 HA SER 33 3.945 -4.879 -7.692 256 HG SER 33 HG SER 33 3.822 -2.475 -10.491 257 HB2 SER 33 HB2 SER 33 4.712 -2.479 -7.830 258 HB3 SER 33 HB1 SER 33 5.209 -3.491 -9.187 259 H LEU 34 HN LEU 34 1.163 -3.131 -8.877 260 HA LEU 34 HA LEU 34 0.486 -1.766 -6.503 261 HG LEU 34 HG LEU 34 -2.324 -1.378 -6.576 262 HB2 LEU 34 HB2 LEU 34 -0.421 -1.493 -8.914 263 HB3 LEU 34 HB1 LEU 34 -1.522 -2.789 -8.491 264 HD11 LEU 34 HD11 LEU 34 -1.840 1.035 -6.699 265 HD12 LEU 34 HD12 LEU 34 -0.656 0.713 -7.969 266 HD13 LEU 34 HD13 LEU 34 -0.405 0.074 -6.344 267 HD21 LEU 34 HD21 LEU 34 -3.572 -1.550 -8.669 268 HD22 LEU 34 HD22 LEU 34 -2.629 -0.222 -9.347 269 HD23 LEU 34 HD23 LEU 34 -3.706 0.068 -7.980 270 H ILE 35 HN ILE 35 -0.221 -4.981 -7.737 271 HA ILE 35 HA ILE 35 -2.046 -5.722 -5.692 272 HB ILE 35 HB ILE 35 -0.311 -7.556 -7.359 273 HG12 ILE 35 HG12 ILE 35 -3.123 -6.569 -7.900 274 HG13 ILE 35 HG11 ILE 35 -1.680 -5.992 -8.729 275 HG21 ILE 35 HG21 ILE 35 -2.894 -8.039 -5.876 276 HG22 ILE 35 HG22 ILE 35 -1.303 -8.663 -5.438 277 HG23 ILE 35 HG23 ILE 35 -2.085 -9.205 -6.924 278 HD11 ILE 35 HD11 ILE 35 -1.300 -8.249 -9.606 279 HD12 ILE 35 HD12 ILE 35 -2.868 -7.598 -10.090 280 HD13 ILE 35 HD13 ILE 35 -2.771 -8.797 -8.800 281 H ALA 36 HN ALA 36 1.462 -6.001 -6.059 282 HA ALA 36 HA ALA 36 2.024 -7.475 -3.754 283 HB1 ALA 36 HB1 ALA 36 3.694 -6.991 -5.484 284 HB2 ALA 36 HB2 ALA 36 4.263 -6.517 -3.883 285 HB3 ALA 36 HB3 ALA 36 3.686 -5.291 -5.012 286 H LEU 37 HN LEU 37 1.596 -3.994 -4.253 287 HA LEU 37 HA LEU 37 2.108 -3.125 -1.647 288 HG LEU 37 HG LEU 37 2.434 -1.971 -4.523 289 HB2 LEU 37 HB2 LEU 37 0.125 -2.028 -3.646 290 HB3 LEU 37 HB1 LEU 37 0.664 -1.191 -2.204 291 HD11 LEU 37 HD11 LEU 37 0.866 -0.217 -5.134 292 HD12 LEU 37 HD12 LEU 37 2.501 0.430 -4.992 293 HD13 LEU 37 HD13 LEU 37 1.327 0.711 -3.707 294 HD21 LEU 37 HD21 LEU 37 3.627 -1.924 -2.390 295 HD22 LEU 37 HD22 LEU 37 3.009 -0.303 -2.076 296 HD23 LEU 37 HD23 LEU 37 4.112 -0.580 -3.424 297 H GLY 38 HN GLY 38 -0.883 -4.315 -3.127 298 HA2 GLY 38 HA2 GLY 38 -2.549 -3.919 -0.876 299 HA3 GLY 38 HA1 GLY 38 -2.866 -5.022 -2.205 300 H ASN 39 HN ASN 39 -0.717 -6.751 -1.969 301 HA ASN 39 HA ASN 39 -1.535 -8.507 0.063 302 HB2 ASN 39 HB2 ASN 39 0.885 -8.375 -1.706 303 HB3 ASN 39 HB1 ASN 39 0.818 -9.555 -0.402 304 HD21 ASN 39 HD21 ASN 39 -0.603 -8.531 -3.422 305 HD22 ASN 39 HD22 ASN 39 -1.436 -10.012 -3.744 306 H MET 40 HN MET 40 1.198 -6.257 -0.108 307 HA MET 40 HA MET 40 2.246 -6.892 2.438 308 HB2 MET 40 HB2 MET 40 3.588 -5.729 0.767 309 HB3 MET 40 HB1 MET 40 2.499 -4.349 0.819 310 HG2 MET 40 HG2 MET 40 4.549 -3.939 2.073 311 HG3 MET 40 HG1 MET 40 3.127 -3.902 3.115 312 HE1 MET 40 HE1 MET 40 5.847 -5.343 5.506 313 HE2 MET 40 HE2 MET 40 4.588 -4.125 5.292 314 HE3 MET 40 HE3 MET 40 6.035 -4.086 4.282 315 H ALA 41 HN ALA 41 0.065 -4.300 1.353 316 HA ALA 41 HA ALA 41 -0.262 -2.926 3.724 317 HB1 ALA 41 HB1 ALA 41 -1.168 -2.184 1.568 318 HB2 ALA 41 HB2 ALA 41 -2.388 -2.145 2.840 319 HB3 ALA 41 HB3 ALA 41 -2.394 -3.448 1.653 320 H SER 42 HN SER 42 -2.266 -5.641 2.555 321 HA SER 42 HA SER 42 -3.964 -5.708 4.792 322 HG SER 42 HG SER 42 -2.955 -7.409 1.708 323 HB2 SER 42 HB2 SER 42 -4.463 -8.070 3.983 324 HB3 SER 42 HB1 SER 42 -4.708 -6.778 2.808 325 H ASN 43 HN ASN 43 -1.011 -7.536 4.066 326 HA ASN 43 HA ASN 43 -1.078 -9.131 6.404 327 HB2 ASN 43 HB2 ASN 43 0.244 -9.743 4.427 328 HB3 ASN 43 HB1 ASN 43 1.277 -8.341 4.673 329 HD21 ASN 43 HD21 ASN 43 2.894 -8.429 6.165 330 HD22 ASN 43 HD22 ASN 43 3.305 -9.859 7.046 331 H LEU 44 HN LEU 44 0.325 -5.999 5.670 332 HA LEU 44 HA LEU 44 1.781 -5.709 8.091 333 HG LEU 44 HG LEU 44 1.515 -2.595 8.316 334 HB2 LEU 44 HB2 LEU 44 2.232 -4.431 6.030 335 HB3 LEU 44 HB1 LEU 44 0.700 -3.603 6.218 336 HD11 LEU 44 HD11 LEU 44 3.894 -2.754 8.879 337 HD12 LEU 44 HD12 LEU 44 4.116 -3.942 7.594 338 HD13 LEU 44 HD13 LEU 44 3.094 -4.324 8.981 339 HD21 LEU 44 HD21 LEU 44 3.316 -2.172 5.934 340 HD22 LEU 44 HD22 LEU 44 3.080 -1.044 7.271 341 HD23 LEU 44 HD23 LEU 44 1.740 -1.420 6.185 342 H LEU 45 HN LEU 45 -1.445 -4.684 7.048 343 HA LEU 45 HA LEU 45 -2.116 -3.244 9.383 344 HG LEU 45 HG LEU 45 -2.563 -2.738 6.412 345 HB2 LEU 45 HB2 LEU 45 -3.868 -4.622 7.349 346 HB3 LEU 45 HB1 LEU 45 -4.470 -3.558 8.606 347 HD11 LEU 45 HD11 LEU 45 -4.471 -1.514 5.499 348 HD12 LEU 45 HD12 LEU 45 -5.511 -2.200 6.747 349 HD13 LEU 45 HD13 LEU 45 -4.776 -3.252 5.537 350 HD21 LEU 45 HD21 LEU 45 -2.274 -1.446 8.460 351 HD22 LEU 45 HD22 LEU 45 -4.005 -1.108 8.500 352 HD23 LEU 45 HD23 LEU 45 -3.012 -0.466 7.192 353 H THR 46 HN THR 46 -2.132 -6.640 8.649 354 HA THR 46 HA THR 46 -3.664 -7.237 11.057 355 HB THR 46 HB THR 46 -3.242 -9.658 10.275 356 HG1 THR 46 HG1 THR 46 -2.802 -8.423 7.760 357 HG21 THR 46 HG21 THR 46 -5.076 -9.526 8.647 358 HG22 THR 46 HG22 THR 46 -4.874 -7.775 8.569 359 HG23 THR 46 HG23 THR 46 -5.400 -8.537 10.070 360 H THR 47 HN THR 47 -0.783 -6.152 10.881 361 HA THR 47 HA THR 47 0.343 -8.099 12.771 362 HB THR 47 HB THR 47 1.890 -6.719 10.567 363 HG1 THR 47 HG1 THR 47 0.857 -8.468 9.688 364 HG21 THR 47 HG21 THR 47 3.802 -8.050 11.356 365 HG22 THR 47 HG22 THR 47 2.831 -8.637 12.705 366 HG23 THR 47 HG23 THR 47 3.239 -6.925 12.592 367 H SER 48 HN SER 48 0.626 -4.731 11.545 368 HA SER 48 HA SER 48 2.250 -4.050 13.850 369 HG SER 48 HG SER 48 1.245 -3.244 10.499 370 HB2 SER 48 HB2 SER 48 2.444 -1.831 12.645 371 HB3 SER 48 HB1 SER 48 3.072 -3.234 11.780 372 H VAL 49 HN VAL 49 -1.065 -3.704 12.947 373 HA VAL 49 HA VAL 49 -1.385 -1.654 15.036 374 HB VAL 49 HB VAL 49 -1.808 -0.677 12.845 375 HG11 VAL 49 HG11 VAL 49 -3.661 -1.424 11.440 376 HG12 VAL 49 HG12 VAL 49 -3.929 -2.788 12.525 377 HG13 VAL 49 HG13 VAL 49 -2.424 -2.670 11.614 378 HG21 VAL 49 HG21 VAL 49 -4.364 -1.070 14.396 379 HG22 VAL 49 HG22 VAL 49 -4.064 0.198 13.208 380 HG23 VAL 49 HG23 VAL 49 -3.132 0.156 14.705 381 HA PRO 50 HA PRO 50 -4.024 -4.405 17.360 382 HB2 PRO 50 HB2 PRO 50 -5.790 -2.331 18.115 383 HB3 PRO 50 HB1 PRO 50 -4.413 -2.938 19.036 384 HG2 PRO 50 HG2 PRO 50 -4.609 -0.559 17.263 385 HG3 PRO 50 HG1 PRO 50 -3.642 -0.796 18.731 386 HD2 PRO 50 HD2 PRO 50 -2.509 -0.835 16.312 387 HD3 PRO 50 HD1 PRO 50 -1.973 -1.946 17.591 388 H GLN 51 HN GLN 51 -5.999 -5.401 17.144 389 HA GLN 51 HA GLN 51 -6.967 -5.554 14.543 390 HB2 GLN 51 HB2 GLN 51 -8.340 -6.477 17.071 391 HB3 GLN 51 HB1 GLN 51 -8.753 -6.988 15.444 392 HG2 GLN 51 HG2 GLN 51 -7.499 -8.752 16.231 393 HG3 GLN 51 HG1 GLN 51 -6.315 -7.818 15.323 394 HE21 GLN 51 HE21 GLN 51 -4.623 -6.854 16.401 395 HE22 GLN 51 HE22 GLN 51 -4.294 -7.129 18.078 396 H THR 52 HN THR 52 -8.603 -4.149 17.393 397 HA THR 52 HA THR 52 -10.936 -3.438 15.985 398 HB THR 52 HB THR 52 -10.774 -3.706 18.468 399 HG1 THR 52 HG1 THR 52 -12.488 -2.474 17.266 400 HG21 THR 52 HG21 THR 52 -8.739 -2.429 18.877 401 HG22 THR 52 HG22 THR 52 -10.081 -1.765 19.808 402 HG23 THR 52 HG23 THR 52 -9.540 -0.952 18.340 403 H GLN 53 HN GLN 53 -7.864 -1.847 16.232 404 HA GLN 53 HA GLN 53 -8.994 0.687 15.314 405 HB2 GLN 53 HB2 GLN 53 -6.174 -0.059 16.099 406 HB3 GLN 53 HB1 GLN 53 -6.667 1.539 15.559 407 HG2 GLN 53 HG2 GLN 53 -8.219 1.669 17.472 408 HG3 GLN 53 HG1 GLN 53 -7.612 0.110 18.030 409 HE21 GLN 53 HE21 GLN 53 -6.848 0.963 19.952 410 HE22 GLN 53 HE22 GLN 53 -5.448 1.976 20.019 411 H CYS 54 HN CYS 54 -7.711 -2.137 14.034 412 HA CYS 54 HA CYS 54 -6.146 -1.237 11.905 413 HG CYS 54 HG CYS 54 -4.980 -4.188 10.597 414 HB2 CYS 54 HB2 CYS 54 -6.340 -3.605 12.684 415 HB3 CYS 54 HB1 CYS 54 -7.931 -3.679 11.936 416 H GLU 55 HN GLU 55 -9.626 -1.945 12.034 417 HA GLU 55 HA GLU 55 -10.239 -1.339 9.376 418 HB2 GLU 55 HB2 GLU 55 -11.933 -1.107 11.865 419 HB3 GLU 55 HB1 GLU 55 -12.562 -0.953 10.231 420 HG2 GLU 55 HG2 GLU 55 -11.892 -3.238 9.741 421 HG3 GLU 55 HG1 GLU 55 -11.211 -3.395 11.361 422 H ALA 56 HN ALA 56 -9.861 0.736 12.177 423 HA ALA 56 HA ALA 56 -11.061 3.035 10.977 424 HB1 ALA 56 HB1 ALA 56 -10.239 4.237 12.932 425 HB2 ALA 56 HB2 ALA 56 -9.265 2.840 13.391 426 HB3 ALA 56 HB3 ALA 56 -11.025 2.729 13.399 427 H LEU 57 HN LEU 57 -7.686 2.138 11.716 428 HA LEU 57 HA LEU 57 -6.584 4.477 10.570 429 HG LEU 57 HG LEU 57 -4.806 4.703 12.190 430 HB2 LEU 57 HB2 LEU 57 -5.463 1.852 11.437 431 HB3 LEU 57 HB1 LEU 57 -4.466 2.923 10.471 432 HD11 LEU 57 HD11 LEU 57 -5.629 4.075 14.394 433 HD12 LEU 57 HD12 LEU 57 -6.041 2.470 13.792 434 HD13 LEU 57 HD13 LEU 57 -6.884 3.889 13.169 435 HD21 LEU 57 HD21 LEU 57 -3.252 3.747 13.805 436 HD22 LEU 57 HD22 LEU 57 -2.793 3.331 12.154 437 HD23 LEU 57 HD23 LEU 57 -3.583 2.133 13.178 438 H ALA 58 HN ALA 58 -7.189 1.246 9.253 439 HA ALA 58 HA ALA 58 -5.902 1.658 6.772 440 HB1 ALA 58 HB1 ALA 58 -8.261 -0.123 7.384 441 HB2 ALA 58 HB2 ALA 58 -6.562 -0.563 7.566 442 HB3 ALA 58 HB3 ALA 58 -7.219 -0.226 5.964 443 H GLN 59 HN GLN 59 -9.165 2.300 7.912 444 HA GLN 59 HA GLN 59 -10.269 3.124 5.450 445 HB2 GLN 59 HB2 GLN 59 -11.436 2.539 7.673 446 HB3 GLN 59 HB1 GLN 59 -11.087 4.194 8.144 447 HG2 GLN 59 HG2 GLN 59 -13.341 3.994 7.305 448 HG3 GLN 59 HG1 GLN 59 -12.370 5.007 6.233 449 HE21 GLN 59 HE21 GLN 59 -13.930 1.930 6.648 450 HE22 GLN 59 HE22 GLN 59 -13.911 1.468 4.975 451 H ALA 60 HN ALA 60 -8.881 4.952 8.159 452 HA ALA 60 HA ALA 60 -9.164 7.518 7.095 453 HB1 ALA 60 HB1 ALA 60 -7.023 6.517 8.969 454 HB2 ALA 60 HB2 ALA 60 -8.632 7.067 9.443 455 HB3 ALA 60 HB3 ALA 60 -7.488 8.201 8.723 456 H PHE 61 HN PHE 61 -6.403 5.285 6.921 457 HA PHE 61 HA PHE 61 -4.611 6.934 5.574 458 HD1 PHE 61 HD2 PHE 61 -3.594 4.136 3.010 459 HD2 PHE 61 HD1 PHE 61 -2.054 5.687 6.666 460 HE1 PHE 61 HE2 PHE 61 -1.357 4.287 2.004 461 HE2 PHE 61 HE1 PHE 61 0.185 5.839 5.661 462 HZ PHE 61 HZ PHE 61 0.535 5.138 3.328 463 HB2 PHE 61 HB2 PHE 61 -4.203 4.627 6.594 464 HB3 PHE 61 HB1 PHE 61 -4.850 3.961 5.099 465 H SER 62 HN SER 62 -6.950 4.623 4.242 466 HA SER 62 HA SER 62 -6.366 5.067 1.539 467 HG SER 62 HG SER 62 -7.593 2.737 3.475 468 HB2 SER 62 HB2 SER 62 -9.006 4.218 2.744 469 HB3 SER 62 HB1 SER 62 -8.470 3.942 1.086 470 H ASN 63 HN ASN 63 -8.860 6.518 3.628 471 HA ASN 63 HA ASN 63 -10.037 8.082 1.605 472 HB2 ASN 63 HB2 ASN 63 -10.122 8.177 4.595 473 HB3 ASN 63 HB1 ASN 63 -10.820 9.495 3.659 474 HD21 ASN 63 HD21 ASN 63 -11.102 6.170 4.580 475 HD22 ASN 63 HD22 ASN 63 -12.682 5.912 3.925 476 H SER 64 HN SER 64 -7.337 8.752 3.795 477 HA SER 64 HA SER 64 -7.143 11.494 3.094 478 HG SER 64 HG SER 64 -5.245 8.647 3.821 479 HB2 SER 64 HB2 SER 64 -4.904 11.427 4.089 480 HB3 SER 64 HB1 SER 64 -6.066 10.593 5.117 481 H LEU 65 HN LEU 65 -6.011 8.545 1.598 482 HA LEU 65 HA LEU 65 -4.329 9.823 -0.321 483 HG LEU 65 HG LEU 65 -3.950 7.231 1.354 484 HB2 LEU 65 HB2 LEU 65 -5.688 7.128 -0.364 485 HB3 LEU 65 HB1 LEU 65 -4.542 7.672 -1.574 486 HD11 LEU 65 HD11 LEU 65 -4.256 5.160 0.106 487 HD12 LEU 65 HD12 LEU 65 -2.565 5.388 0.547 488 HD13 LEU 65 HD13 LEU 65 -3.095 5.706 -1.104 489 HD21 LEU 65 HD21 LEU 65 -1.626 7.674 0.748 490 HD22 LEU 65 HD22 LEU 65 -2.644 9.079 0.433 491 HD23 LEU 65 HD23 LEU 65 -2.122 8.053 -0.902 492 H ILE 66 HN ILE 66 -7.728 8.899 -0.210 493 HA ILE 66 HA ILE 66 -8.432 9.534 -2.858 494 HB ILE 66 HB ILE 66 -10.208 10.034 -0.465 495 HG12 ILE 66 HG12 ILE 66 -9.279 7.796 -0.206 496 HG13 ILE 66 HG11 ILE 66 -10.971 7.694 -0.673 497 HG21 ILE 66 HG21 ILE 66 -10.810 9.266 -3.317 498 HG22 ILE 66 HG22 ILE 66 -11.099 10.834 -2.563 499 HG23 ILE 66 HG23 ILE 66 -12.008 9.417 -2.032 500 HD11 ILE 66 HD11 ILE 66 -10.311 7.190 -2.961 501 HD12 ILE 66 HD12 ILE 66 -9.624 6.037 -1.817 502 HD13 ILE 66 HD13 ILE 66 -8.613 7.311 -2.500 503 H ASN 67 HN ASN 67 -8.161 11.476 0.054 504 HA ASN 67 HA ASN 67 -9.013 13.960 -0.913 505 HB2 ASN 67 HB2 ASN 67 -8.564 13.395 1.474 506 HB3 ASN 67 HB1 ASN 67 -6.843 13.386 1.125 507 HD21 ASN 67 HD21 ASN 67 -8.409 14.982 2.991 508 HD22 ASN 67 HD22 ASN 67 -8.063 16.635 2.598 509 H ALA 68 HN ALA 68 -5.832 12.409 -0.952 510 HA ALA 68 HA ALA 68 -4.402 14.520 -2.133 511 HB1 ALA 68 HB1 ALA 68 -2.722 12.837 -2.698 512 HB2 ALA 68 HB2 ALA 68 -3.871 11.556 -2.314 513 HB3 ALA 68 HB3 ALA 68 -3.298 12.636 -1.044 514 H VAL 69 HN VAL 69 -6.117 11.755 -3.558 515 HA VAL 69 HA VAL 69 -5.562 12.226 -6.250 516 HB VAL 69 HB VAL 69 -8.154 11.198 -5.071 517 HG11 VAL 69 HG11 VAL 69 -8.488 10.132 -7.259 518 HG12 VAL 69 HG12 VAL 69 -7.043 10.942 -7.864 519 HG13 VAL 69 HG13 VAL 69 -8.449 11.891 -7.381 520 HG21 VAL 69 HG21 VAL 69 -7.225 8.973 -5.515 521 HG22 VAL 69 HG22 VAL 69 -6.240 9.873 -4.363 522 HG23 VAL 69 HG23 VAL 69 -5.713 9.712 -6.039 523 H LYS 70 HN LYS 70 -8.290 13.435 -4.301 524 HA LYS 70 HA LYS 70 -9.451 15.068 -6.244 525 HB2 LYS 70 HB2 LYS 70 -9.524 14.937 -3.289 526 HB3 LYS 70 HB1 LYS 70 -9.980 16.478 -3.996 527 HG2 LYS 70 HG2 LYS 70 -11.965 15.237 -3.679 528 HG3 LYS 70 HG1 LYS 70 -11.633 15.242 -5.409 529 HD2 LYS 70 HD2 LYS 70 -10.702 12.996 -5.246 530 HD3 LYS 70 HD1 LYS 70 -10.989 12.994 -3.504 531 HE2 LYS 70 HE2 LYS 70 -12.768 11.781 -4.532 532 HE3 LYS 70 HE1 LYS 70 -13.418 13.326 -3.985 533 HZ1 LYS 70 HZ1 LYS 70 -13.282 14.161 -6.241 534 HZ2 LYS 70 HZ2 LYS 70 -14.182 12.727 -6.216 535 HZ3 LYS 70 HZ3 LYS 70 -12.586 12.704 -6.771 536 H THR 71 HN THR 71 -6.945 15.834 -3.848 537 HA THR 71 HA THR 71 -6.836 18.581 -4.401 538 HB THR 71 HB THR 71 -4.643 16.822 -3.282 539 HG1 THR 71 HG1 THR 71 -6.505 16.719 -1.989 540 HG21 THR 71 HG21 THR 71 -3.784 18.882 -2.278 541 HG22 THR 71 HG22 THR 71 -5.055 19.808 -3.072 542 HG23 THR 71 HG23 THR 71 -3.816 19.008 -4.037 543 H ARG 72 HN ARG 72 -4.948 15.880 -5.775 544 HA ARG 72 HA ARG 72 -3.117 17.540 -7.154 545 HE ARG 72 HE ARG 72 -0.053 15.494 -7.703 546 HB2 ARG 72 HB2 ARG 72 -3.947 14.700 -7.764 547 HB3 ARG 72 HB1 ARG 72 -2.597 15.531 -8.523 548 HG2 ARG 72 HG2 ARG 72 -1.733 15.855 -6.116 549 HG3 ARG 72 HG1 ARG 72 -2.880 14.579 -5.701 550 HD2 ARG 72 HD2 ARG 72 -0.814 13.499 -6.103 551 HD3 ARG 72 HD1 ARG 72 -1.809 13.195 -7.526 552 HH11 ARG 72 HH11 ARG 72 -0.419 12.061 -8.383 553 HH12 ARG 72 HH12 ARG 72 0.829 12.064 -9.591 554 HH21 ARG 72 HH21 ARG 72 1.586 15.460 -9.274 555 HH22 ARG 72 HH22 ARG 72 1.957 13.965 -10.096 556 H LEU 73 HN LEU 73 -6.165 16.037 -8.168 557 HA LEU 73 HA LEU 73 -5.940 17.062 -10.844 558 HG LEU 73 HG LEU 73 -7.986 14.035 -11.244 559 HB2 LEU 73 HB2 LEU 73 -8.097 15.625 -9.332 560 HB3 LEU 73 HB1 LEU 73 -8.439 16.349 -10.890 561 HD11 LEU 73 HD11 LEU 73 -6.069 14.123 -12.748 562 HD12 LEU 73 HD12 LEU 73 -5.573 15.656 -12.031 563 HD13 LEU 73 HD13 LEU 73 -7.093 15.549 -12.920 564 HD21 LEU 73 HD21 LEU 73 -6.781 13.553 -9.180 565 HD22 LEU 73 HD22 LEU 73 -5.383 14.446 -9.778 566 HD23 LEU 73 HD23 LEU 73 -5.894 12.963 -10.585 567 H GLU 74 HN GLU 74 -7.750 17.932 -7.941 568 HA GLU 74 HA GLU 74 -8.915 20.230 -9.339 569 HB2 GLU 74 HB2 GLU 74 -9.522 19.129 -6.591 570 HB3 GLU 74 HB1 GLU 74 -10.422 20.385 -7.431 571 HG2 GLU 74 HG2 GLU 74 -11.069 18.787 -9.147 572 HG3 GLU 74 HG1 GLU 74 -10.142 17.530 -8.327 573 H HIS 75 HN HIS 75 -6.216 20.426 -8.878 574 HA HIS 75 HA HIS 75 -5.466 21.723 -6.515 575 HD1 HIS 75 HD1 HIS 75 -4.162 19.677 -10.018 576 HD2 HIS 75 HD2 HIS 75 -4.341 23.803 -10.510 577 HE1 HIS 75 HE1 HIS 75 -4.243 20.064 -12.500 578 HE2 HIS 75 HE2 HIS 75 -4.111 22.567 -12.770 579 HB2 HIS 75 HB2 HIS 75 -3.617 22.729 -7.982 580 HB3 HIS 75 HB1 HIS 75 -3.694 20.975 -7.873 581 H HIS 76 HN HIS 76 -6.437 23.424 -5.701 582 HA HIS 76 HA HIS 76 -7.567 25.439 -7.511 583 HD1 HIS 76 HD1 HIS 76 -9.715 26.639 -3.554 584 HD2 HIS 76 HD2 HIS 76 -9.501 26.962 -7.695 585 HE1 HIS 76 HE1 HIS 76 -11.116 28.640 -4.153 586 HE2 HIS 76 HE2 HIS 76 -11.142 28.682 -6.679 587 HB2 HIS 76 HB2 HIS 76 -9.054 24.312 -5.840 588 HB3 HIS 76 HB1 HIS 76 -8.086 25.027 -4.556 589 H HIS 77 HN HIS 77 -6.517 27.287 -7.776 590 HA HIS 77 HA HIS 77 -4.808 28.252 -5.573 591 HD1 HIS 77 HD1 HIS 77 -1.782 27.895 -5.809 592 HD2 HIS 77 HD2 HIS 77 -3.648 25.773 -8.865 593 HE1 HIS 77 HE1 HIS 77 -0.517 25.731 -6.005 594 HE2 HIS 77 HE2 HIS 77 -1.596 24.501 -7.923 595 HB2 HIS 77 HB2 HIS 77 -4.301 28.451 -8.550 596 HB3 HIS 77 HB1 HIS 77 -3.375 29.321 -7.332 597 H HIS 78 HN HIS 78 -4.361 30.675 -5.831 598 HA HIS 78 HA HIS 78 -6.628 32.148 -6.952 599 HD1 HIS 78 HD1 HIS 78 -6.574 34.418 -2.920 600 HD2 HIS 78 HD2 HIS 78 -8.700 33.691 -6.422 601 HE1 HIS 78 HE1 HIS 78 -8.095 36.395 -3.212 602 HE2 HIS 78 HE2 HIS 78 -9.231 36.027 -5.431 603 HB2 HIS 78 HB2 HIS 78 -7.272 31.513 -4.624 604 HB3 HIS 78 HB1 HIS 78 -5.837 32.333 -4.027 605 H HIS 79 HN HIS 79 -3.708 31.834 -7.390 606 HA HIS 79 HA HIS 79 -1.806 33.007 -7.753 607 HD1 HIS 79 HD1 HIS 79 -1.294 35.343 -10.218 608 HD2 HIS 79 HD2 HIS 79 -5.191 34.059 -9.506 609 HE1 HIS 79 HE1 HIS 79 -2.303 34.933 -12.485 610 HE2 HIS 79 HE2 HIS 79 -4.688 34.273 -12.038 611 HB2 HIS 79 HB2 HIS 79 -3.659 35.372 -7.423 612 HB3 HIS 79 HB1 HIS 79 -1.951 35.544 -7.807 613 H HIS 80 HN HIS 80 -3.383 35.099 -5.360 614 HA HIS 80 HA HIS 80 -1.529 34.165 -3.329 615 HD1 HIS 80 HD1 HIS 80 -1.946 38.734 -2.471 616 HD2 HIS 80 HD2 HIS 80 -2.252 37.168 -6.315 617 HE1 HIS 80 HE1 HIS 80 -3.003 40.542 -3.862 618 HE2 HIS 80 HE2 HIS 80 -2.979 39.649 -6.219 619 HB2 HIS 80 HB2 HIS 80 -0.974 36.482 -2.618 620 HB3 HIS 80 HB1 HIS 80 -0.342 36.088 -4.208 621 HA MET 1 HA MET 1 8.562 -14.552 -28.709 622 H1 MET 1 HT1 MET 1 9.936 -15.560 -27.012 623 H2 MET 1 HT2 MET 1 10.310 -16.185 -28.544 624 H3 MET 1 HT3 MET 1 9.387 -17.104 -27.456 625 HB2 MET 1 HB2 MET 1 8.590 -16.480 -30.263 626 HB3 MET 1 HB1 MET 1 7.578 -17.386 -29.145 627 HG2 MET 1 HG2 MET 1 5.790 -15.742 -29.442 628 HG3 MET 1 HG1 MET 1 6.803 -14.855 -30.579 629 HE1 MET 1 HE1 MET 1 4.794 -18.150 -29.896 630 HE2 MET 1 HE2 MET 1 6.423 -18.771 -30.170 631 HE3 MET 1 HE3 MET 1 5.144 -19.099 -31.341 632 H ALA 2 HN ALA 2 6.536 -13.789 -28.108 633 HA ALA 2 HA ALA 2 4.680 -13.444 -26.863 634 HB1 ALA 2 HB1 ALA 2 4.103 -15.782 -27.297 635 HB2 ALA 2 HB2 ALA 2 3.595 -15.273 -25.687 636 HB3 ALA 2 HB3 ALA 2 5.034 -16.274 -25.883 637 H GLN 3 HN GLN 3 3.926 -13.251 -24.580 638 HA GLN 3 HA GLN 3 6.196 -13.139 -22.718 639 HB2 GLN 3 HB2 GLN 3 5.075 -11.179 -21.659 640 HB3 GLN 3 HB1 GLN 3 5.638 -10.879 -23.294 641 HG2 GLN 3 HG2 GLN 3 3.327 -11.257 -24.104 642 HG3 GLN 3 HG1 GLN 3 2.805 -11.402 -22.427 643 HE21 GLN 3 HE21 GLN 3 5.294 -9.206 -23.484 644 HE22 GLN 3 HE22 GLN 3 4.406 -7.744 -23.213 645 H HIS 4 HN HIS 4 5.973 -14.265 -20.932 646 HA HIS 4 HA HIS 4 3.607 -15.830 -20.526 647 HD1 HIS 4 HD1 HIS 4 6.322 -16.763 -16.779 648 HD2 HIS 4 HD2 HIS 4 7.295 -13.932 -19.668 649 HE1 HIS 4 HE1 HIS 4 8.169 -15.376 -15.778 650 HE2 HIS 4 HE2 HIS 4 8.871 -13.798 -17.615 651 HB2 HIS 4 HB2 HIS 4 4.835 -16.910 -18.725 652 HB3 HIS 4 HB1 HIS 4 5.856 -16.757 -20.146 653 H SER 5 HN SER 5 2.642 -13.401 -20.315 654 HA SER 5 HA SER 5 2.590 -12.448 -17.594 655 HG SER 5 HG SER 5 2.393 -9.907 -20.074 656 HB2 SER 5 HB2 SER 5 0.853 -11.653 -19.946 657 HB3 SER 5 HB1 SER 5 1.065 -10.752 -18.442 658 H LYS 6 HN LYS 6 1.912 -14.900 -17.211 659 HA LYS 6 HA LYS 6 -0.935 -15.371 -17.481 660 HB2 LYS 6 HB2 LYS 6 1.190 -17.000 -16.075 661 HB3 LYS 6 HB1 LYS 6 -0.450 -17.529 -16.422 662 HG2 LYS 6 HG2 LYS 6 -0.012 -17.469 -18.793 663 HG3 LYS 6 HG1 LYS 6 1.601 -16.809 -18.507 664 HD2 LYS 6 HD2 LYS 6 2.207 -18.855 -17.292 665 HD3 LYS 6 HD1 LYS 6 0.601 -19.513 -17.612 666 HE2 LYS 6 HE2 LYS 6 1.034 -19.422 -20.010 667 HE3 LYS 6 HE1 LYS 6 2.628 -18.732 -19.705 668 HZ1 LYS 6 HZ1 LYS 6 1.717 -21.424 -18.829 669 HZ2 LYS 6 HZ2 LYS 6 3.252 -20.760 -18.555 670 HZ3 LYS 6 HZ3 LYS 6 2.749 -21.105 -20.138 671 H TYR 7 HN TYR 7 0.816 -13.534 -15.465 672 HA TYR 7 HA TYR 7 0.626 -12.682 -13.383 673 HD1 TYR 7 HD2 TYR 7 -1.780 -12.430 -15.953 674 HD2 TYR 7 HD1 TYR 7 -1.843 -10.637 -12.097 675 HE1 TYR 7 HE2 TYR 7 -2.240 -10.245 -16.982 676 HE2 TYR 7 HE1 TYR 7 -2.304 -8.448 -13.114 677 HH TYR 7 HH TYR 7 -2.040 -7.299 -15.214 678 HB2 TYR 7 HB2 TYR 7 -2.169 -13.752 -13.739 679 HB3 TYR 7 HB1 TYR 7 -1.671 -12.943 -12.256 680 H SER 8 HN SER 8 2.248 -14.177 -12.736 681 HA SER 8 HA SER 8 1.492 -16.613 -11.424 682 HG SER 8 HG SER 8 3.894 -17.942 -11.109 683 HB2 SER 8 HB2 SER 8 3.617 -16.482 -12.651 684 HB3 SER 8 HB1 SER 8 4.162 -15.197 -11.573 685 H ASP 9 HN ASP 9 0.522 -16.506 -9.538 686 HA ASP 9 HA ASP 9 0.817 -14.388 -7.675 687 HB2 ASP 9 HB2 ASP 9 -0.406 -15.823 -6.122 688 HB3 ASP 9 HB1 ASP 9 -1.159 -15.886 -7.711 689 H ALA 10 HN ALA 10 2.789 -16.938 -8.582 690 HA ALA 10 HA ALA 10 4.199 -17.207 -6.059 691 HB1 ALA 10 HB1 ALA 10 4.894 -18.228 -8.816 692 HB2 ALA 10 HB2 ALA 10 4.039 -19.131 -7.566 693 HB3 ALA 10 HB3 ALA 10 5.721 -18.659 -7.319 694 H GLN 11 HN GLN 11 4.835 -15.910 -9.308 695 HA GLN 11 HA GLN 11 7.265 -14.610 -8.739 696 HB2 GLN 11 HB2 GLN 11 6.483 -14.878 -11.022 697 HB3 GLN 11 HB1 GLN 11 5.060 -13.905 -10.691 698 HG2 GLN 11 HG2 GLN 11 6.513 -12.527 -11.904 699 HG3 GLN 11 HG1 GLN 11 6.626 -11.985 -10.232 700 HE21 GLN 11 HE21 GLN 11 8.484 -11.632 -12.424 701 HE22 GLN 11 HE22 GLN 11 9.989 -12.325 -11.918 702 H LEU 12 HN LEU 12 3.917 -13.545 -8.507 703 HA LEU 12 HA LEU 12 4.294 -10.921 -7.681 704 HG LEU 12 HG LEU 12 2.095 -10.895 -5.441 705 HB2 LEU 12 HB2 LEU 12 2.122 -11.793 -8.322 706 HB3 LEU 12 HB1 LEU 12 2.123 -12.886 -6.951 707 HD11 LEU 12 HD11 LEU 12 1.457 -8.736 -6.383 708 HD12 LEU 12 HD12 LEU 12 1.610 -9.398 -8.011 709 HD13 LEU 12 HD13 LEU 12 3.033 -9.258 -6.977 710 HD21 LEU 12 HD21 LEU 12 -0.180 -11.132 -7.405 711 HD22 LEU 12 HD22 LEU 12 -0.271 -10.396 -5.804 712 HD23 LEU 12 HD23 LEU 12 0.059 -12.121 -5.965 713 H SER 13 HN SER 13 3.754 -13.798 -5.616 714 HA SER 13 HA SER 13 3.932 -12.461 -3.188 715 HG SER 13 HG SER 13 5.005 -15.286 -4.829 716 HB2 SER 13 HB2 SER 13 4.382 -14.689 -2.187 717 HB3 SER 13 HB1 SER 13 3.029 -14.702 -3.316 718 H ALA 14 HN ALA 14 6.502 -13.820 -5.188 719 HA ALA 14 HA ALA 14 8.603 -13.596 -3.340 720 HB1 ALA 14 HB1 ALA 14 8.718 -13.351 -6.345 721 HB2 ALA 14 HB2 ALA 14 8.792 -14.856 -5.429 722 HB3 ALA 14 HB3 ALA 14 10.086 -13.668 -5.277 723 H ILE 15 HN ILE 15 7.264 -11.304 -5.670 724 HA ILE 15 HA ILE 15 9.153 -9.240 -5.213 725 HB ILE 15 HB ILE 15 6.320 -9.074 -6.258 726 HG12 ILE 15 HG12 ILE 15 8.969 -9.195 -7.716 727 HG13 ILE 15 HG11 ILE 15 7.832 -10.530 -7.563 728 HG21 ILE 15 HG21 ILE 15 7.011 -6.925 -7.236 729 HG22 ILE 15 HG22 ILE 15 8.559 -7.054 -6.399 730 HG23 ILE 15 HG23 ILE 15 7.066 -6.900 -5.474 731 HD11 ILE 15 HD11 ILE 15 7.699 -9.441 -9.740 732 HD12 ILE 15 HD12 ILE 15 7.280 -7.921 -8.951 733 HD13 ILE 15 HD13 ILE 15 6.187 -9.301 -8.843 734 H VAL 16 HN VAL 16 6.010 -10.013 -3.782 735 HA VAL 16 HA VAL 16 5.842 -7.675 -2.178 736 HB VAL 16 HB VAL 16 4.613 -10.275 -1.312 737 HG11 VAL 16 HG11 VAL 16 3.581 -7.443 -1.298 738 HG12 VAL 16 HG12 VAL 16 4.361 -8.247 0.069 739 HG13 VAL 16 HG13 VAL 16 2.822 -8.848 -0.547 740 HG21 VAL 16 HG21 VAL 16 4.206 -10.178 -3.710 741 HG22 VAL 16 HG22 VAL 16 3.588 -8.533 -3.549 742 HG23 VAL 16 HG23 VAL 16 2.719 -9.878 -2.809 743 H ASN 17 HN ASN 17 7.262 -10.855 -1.739 744 HA ASN 17 HA ASN 17 7.947 -10.537 0.998 745 HB2 ASN 17 HB2 ASN 17 8.975 -12.374 -1.162 746 HB3 ASN 17 HB1 ASN 17 9.621 -12.400 0.475 747 HD21 ASN 17 HD21 ASN 17 8.134 -14.435 -1.049 748 HD22 ASN 17 HD22 ASN 17 6.758 -14.832 -0.077 749 H ASP 18 HN ASP 18 9.544 -9.695 -2.025 750 HA ASP 18 HA ASP 18 12.034 -8.905 -1.022 751 HB2 ASP 18 HB2 ASP 18 10.377 -7.915 -3.331 752 HB3 ASP 18 HB1 ASP 18 11.887 -7.121 -2.908 753 H MET 19 HN MET 19 8.967 -7.183 -1.251 754 HA MET 19 HA MET 19 9.789 -4.684 -0.323 755 HB2 MET 19 HB2 MET 19 7.130 -6.065 0.074 756 HB3 MET 19 HB1 MET 19 7.423 -4.353 0.337 757 HG2 MET 19 HG2 MET 19 7.970 -4.076 -2.021 758 HG3 MET 19 HG1 MET 19 7.694 -5.797 -2.289 759 HE1 MET 19 HE1 MET 19 4.367 -2.889 -0.959 760 HE2 MET 19 HE2 MET 19 6.040 -2.395 -1.216 761 HE3 MET 19 HE3 MET 19 5.637 -3.482 0.112 762 H ILE 20 HN ILE 20 8.550 -7.477 1.481 763 HA ILE 20 HA ILE 20 8.725 -6.334 4.050 764 HB ILE 20 HB ILE 20 9.008 -9.255 3.302 765 HG12 ILE 20 HG12 ILE 20 6.535 -7.671 4.044 766 HG13 ILE 20 HG11 ILE 20 6.941 -8.215 2.419 767 HG21 ILE 20 HG21 ILE 20 8.207 -9.686 5.585 768 HG22 ILE 20 HG22 ILE 20 8.223 -7.954 5.910 769 HG23 ILE 20 HG23 ILE 20 9.733 -8.802 5.582 770 HD11 ILE 20 HD11 ILE 20 5.274 -9.647 3.461 771 HD12 ILE 20 HD12 ILE 20 6.391 -9.998 4.780 772 HD13 ILE 20 HD13 ILE 20 6.767 -10.530 3.141 773 H ALA 21 HN ALA 21 11.004 -8.292 2.176 774 HA ALA 21 HA ALA 21 13.014 -8.517 4.109 775 HB1 ALA 21 HB1 ALA 21 12.922 -9.882 2.075 776 HB2 ALA 21 HB2 ALA 21 14.492 -9.105 2.274 777 HB3 ALA 21 HB3 ALA 21 13.332 -8.463 1.112 778 H VAL 22 HN VAL 22 12.769 -6.191 1.396 779 HA VAL 22 HA VAL 22 15.123 -4.802 2.109 780 HB VAL 22 HB VAL 22 14.426 -3.041 0.577 781 HG11 VAL 22 HG11 VAL 22 14.229 -4.385 -1.458 782 HG12 VAL 22 HG12 VAL 22 13.832 -5.799 -0.481 783 HG13 VAL 22 HG13 VAL 22 15.425 -5.052 -0.346 784 HG21 VAL 22 HG21 VAL 22 12.280 -3.162 -0.615 785 HG22 VAL 22 HG22 VAL 22 12.060 -2.903 1.116 786 HG23 VAL 22 HG23 VAL 22 11.789 -4.503 0.422 787 H LEU 23 HN LEU 23 11.797 -4.472 3.138 788 HA LEU 23 HA LEU 23 12.052 -1.950 4.399 789 HG LEU 23 HG LEU 23 10.275 -2.555 6.882 790 HB2 LEU 23 HB2 LEU 23 9.878 -2.991 3.918 791 HB3 LEU 23 HB1 LEU 23 10.227 -4.263 5.072 792 HD11 LEU 23 HD11 LEU 23 9.349 -0.339 6.433 793 HD12 LEU 23 HD12 LEU 23 9.288 -0.711 4.710 794 HD13 LEU 23 HD13 LEU 23 10.843 -0.610 5.536 795 HD21 LEU 23 HD21 LEU 23 7.855 -2.233 6.971 796 HD22 LEU 23 HD22 LEU 23 8.265 -3.867 6.449 797 HD23 LEU 23 HD23 LEU 23 7.729 -2.673 5.268 798 H GLU 24 HN GLU 24 12.488 -5.272 5.523 799 HA GLU 24 HA GLU 24 13.138 -4.554 8.202 800 HB2 GLU 24 HB2 GLU 24 12.268 -6.797 7.337 801 HB3 GLU 24 HB1 GLU 24 13.913 -7.114 6.807 802 HG2 GLU 24 HG2 GLU 24 13.488 -8.169 8.934 803 HG3 GLU 24 HG1 GLU 24 14.695 -6.897 9.111 804 H LYS 25 HN LYS 25 14.887 -4.569 5.253 805 HA LYS 25 HA LYS 25 17.492 -4.649 6.507 806 HB2 LYS 25 HB2 LYS 25 16.653 -4.040 3.671 807 HB3 LYS 25 HB1 LYS 25 18.325 -4.086 4.213 808 HG2 LYS 25 HG2 LYS 25 16.370 -6.376 4.180 809 HG3 LYS 25 HG1 LYS 25 17.777 -6.159 3.137 810 HD2 LYS 25 HD2 LYS 25 19.224 -6.254 5.148 811 HD3 LYS 25 HD1 LYS 25 17.794 -6.595 6.123 812 HE2 LYS 25 HE2 LYS 25 18.889 -8.668 5.645 813 HE3 LYS 25 HE1 LYS 25 17.394 -8.608 4.712 814 HZ1 LYS 25 HZ1 LYS 25 20.060 -7.891 3.620 815 HZ2 LYS 25 HZ2 LYS 25 18.614 -8.068 2.751 816 HZ3 LYS 25 HZ3 LYS 25 19.356 -9.423 3.454 817 H HIS 26 HN HIS 26 15.121 -2.292 5.879 818 HA HIS 26 HA HIS 26 17.064 -0.104 6.155 819 HD1 HIS 26 HD1 HIS 26 15.373 -1.461 3.223 820 HD2 HIS 26 HD2 HIS 26 16.311 2.554 3.744 821 HE1 HIS 26 HE1 HIS 26 16.347 -0.706 1.034 822 HE2 HIS 26 HE2 HIS 26 16.634 1.784 1.289 823 HB2 HIS 26 HB2 HIS 26 14.178 -0.173 5.291 824 HB3 HIS 26 HB1 HIS 26 14.960 1.331 5.757 825 H LYS 27 HN LYS 27 14.386 -1.698 7.685 826 HA LYS 27 HA LYS 27 13.436 -1.598 9.720 827 HB2 LYS 27 HB2 LYS 27 16.088 -0.392 10.522 828 HB3 LYS 27 HB1 LYS 27 14.856 -0.947 11.646 829 HG2 LYS 27 HG2 LYS 27 16.028 -2.850 11.638 830 HG3 LYS 27 HG1 LYS 27 15.195 -3.160 10.114 831 HD2 LYS 27 HD2 LYS 27 17.540 -3.552 9.791 832 HD3 LYS 27 HD1 LYS 27 17.102 -2.076 8.929 833 HE2 LYS 27 HE2 LYS 27 19.209 -1.789 10.112 834 HE3 LYS 27 HE1 LYS 27 17.966 -0.738 10.789 835 HZ1 LYS 27 HZ1 LYS 27 19.323 -1.868 12.490 836 HZ2 LYS 27 HZ2 LYS 27 18.756 -3.364 11.933 837 HZ3 LYS 27 HZ3 LYS 27 17.675 -2.250 12.616 838 H ALA 28 HN ALA 28 11.913 -0.072 8.866 839 HA ALA 28 HA ALA 28 12.299 2.667 9.837 840 HB1 ALA 28 HB1 ALA 28 11.637 2.447 7.488 841 HB2 ALA 28 HB2 ALA 28 10.385 3.255 8.434 842 HB3 ALA 28 HB3 ALA 28 10.191 1.563 7.978 843 HA PRO 29 HA PRO 29 9.852 1.717 13.346 844 HB2 PRO 29 HB2 PRO 29 9.188 4.204 14.144 845 HB3 PRO 29 HB1 PRO 29 10.843 3.591 14.239 846 HG2 PRO 29 HG2 PRO 29 9.595 5.351 12.159 847 HG3 PRO 29 HG1 PRO 29 11.164 5.522 12.970 848 HD2 PRO 29 HD2 PRO 29 10.916 4.468 10.492 849 HD3 PRO 29 HD1 PRO 29 12.169 3.939 11.632 850 H VAL 30 HN VAL 30 8.347 1.404 10.947 851 HA VAL 30 HA VAL 30 6.207 1.059 10.300 852 HB VAL 30 HB VAL 30 5.397 2.196 12.984 853 HG11 VAL 30 HG11 VAL 30 3.575 2.310 11.362 854 HG12 VAL 30 HG12 VAL 30 3.253 1.076 12.579 855 HG13 VAL 30 HG13 VAL 30 3.803 0.604 10.972 856 HG21 VAL 30 HG21 VAL 30 5.711 -0.667 12.077 857 HG22 VAL 30 HG22 VAL 30 5.106 -0.143 13.648 858 HG23 VAL 30 HG23 VAL 30 6.778 0.189 13.191 859 H ASP 31 HN ASP 31 6.577 4.209 11.921 860 HA ASP 31 HA ASP 31 4.658 5.691 10.609 861 HB2 ASP 31 HB2 ASP 31 7.452 6.611 11.333 862 HB3 ASP 31 HB1 ASP 31 6.095 7.669 10.974 863 H LEU 32 HN LEU 32 8.083 5.662 9.655 864 HA LEU 32 HA LEU 32 7.671 6.891 7.168 865 HG LEU 32 HG LEU 32 9.769 7.285 9.357 866 HB2 LEU 32 HB2 LEU 32 9.934 5.150 8.138 867 HB3 LEU 32 HB1 LEU 32 9.961 6.023 6.619 868 HD11 LEU 32 HD11 LEU 32 12.042 8.063 8.915 869 HD12 LEU 32 HD12 LEU 32 12.058 7.168 7.396 870 HD13 LEU 32 HD13 LEU 32 11.962 6.301 8.928 871 HD21 LEU 32 HD21 LEU 32 10.111 9.395 8.160 872 HD22 LEU 32 HD22 LEU 32 8.616 8.603 7.662 873 HD23 LEU 32 HD23 LEU 32 10.040 8.534 6.623 874 H SER 33 HN SER 33 7.552 3.541 8.141 875 HA SER 33 HA SER 33 7.779 2.328 5.624 876 HG SER 33 HG SER 33 8.267 0.375 8.470 877 HB2 SER 33 HB2 SER 33 6.019 1.230 7.805 878 HB3 SER 33 HB1 SER 33 7.079 0.362 6.691 879 H LEU 34 HN LEU 34 4.948 3.454 7.448 880 HA LEU 34 HA LEU 34 3.041 2.699 5.479 881 HG LEU 34 HG LEU 34 3.090 2.338 8.496 882 HB2 LEU 34 HB2 LEU 34 2.887 4.692 7.739 883 HB3 LEU 34 HB1 LEU 34 1.520 4.231 6.744 884 HD11 LEU 34 HD11 LEU 34 1.115 2.353 9.934 885 HD12 LEU 34 HD12 LEU 34 0.378 3.586 8.911 886 HD13 LEU 34 HD13 LEU 34 1.842 3.955 9.821 887 HD21 LEU 34 HD21 LEU 34 1.264 0.779 8.033 888 HD22 LEU 34 HD22 LEU 34 2.092 1.253 6.550 889 HD23 LEU 34 HD23 LEU 34 0.526 1.961 6.951 890 H ILE 35 HN ILE 35 4.792 5.690 6.169 891 HA ILE 35 HA ILE 35 3.344 7.335 4.398 892 HB ILE 35 HB ILE 35 6.230 7.673 5.241 893 HG12 ILE 35 HG12 ILE 35 3.703 8.769 6.503 894 HG13 ILE 35 HG11 ILE 35 4.668 7.451 7.160 895 HG21 ILE 35 HG21 ILE 35 5.613 9.061 3.336 896 HG22 ILE 35 HG22 ILE 35 5.828 10.051 4.780 897 HG23 ILE 35 HG23 ILE 35 4.205 9.661 4.212 898 HD11 ILE 35 HD11 ILE 35 5.600 10.287 6.766 899 HD12 ILE 35 HD12 ILE 35 6.552 8.968 7.447 900 HD13 ILE 35 HD13 ILE 35 5.122 9.554 8.297 901 H ALA 36 HN ALA 36 6.345 5.473 3.934 902 HA ALA 36 HA ALA 36 6.887 6.224 1.309 903 HB1 ALA 36 HB1 ALA 36 8.455 4.976 2.717 904 HB2 ALA 36 HB2 ALA 36 8.197 4.173 1.168 905 HB3 ALA 36 HB3 ALA 36 7.411 3.557 2.621 906 H LEU 37 HN LEU 37 4.953 3.507 2.547 907 HA LEU 37 HA LEU 37 4.156 2.503 0.043 908 HG LEU 37 HG LEU 37 4.904 1.210 2.754 909 HB2 LEU 37 HB2 LEU 37 2.746 2.393 2.712 910 HB3 LEU 37 HB1 LEU 37 2.269 1.468 1.302 911 HD11 LEU 37 HD11 LEU 37 3.030 0.349 4.052 912 HD12 LEU 37 HD12 LEU 37 4.042 -0.966 3.456 913 HD13 LEU 37 HD13 LEU 37 2.503 -0.611 2.671 914 HD21 LEU 37 HD21 LEU 37 3.751 -0.359 0.450 915 HD22 LEU 37 HD22 LEU 37 5.237 -0.750 1.318 916 HD23 LEU 37 HD23 LEU 37 5.129 0.739 0.378 917 H GLY 38 HN GLY 38 2.755 4.950 2.164 918 HA2 GLY 38 HA2 GLY 38 0.393 5.427 0.709 919 HA3 GLY 38 HA1 GLY 38 1.175 6.568 1.794 920 H ASN 39 HN ASN 39 3.545 7.095 0.578 921 HA ASN 39 HA ASN 39 2.883 8.917 -1.440 922 HB2 ASN 39 HB2 ASN 39 5.541 7.650 -0.757 923 HB3 ASN 39 HB1 ASN 39 5.357 8.974 -1.898 924 HD21 ASN 39 HD21 ASN 39 3.251 10.263 -0.336 925 HD22 ASN 39 HD22 ASN 39 4.042 10.977 1.021 926 H MET 40 HN MET 40 4.290 5.670 -1.664 927 HA MET 40 HA MET 40 4.613 5.659 -4.461 928 HB2 MET 40 HB2 MET 40 5.698 4.077 -2.859 929 HB3 MET 40 HB1 MET 40 4.146 3.275 -2.664 930 HG2 MET 40 HG2 MET 40 5.555 2.056 -4.205 931 HG3 MET 40 HG1 MET 40 4.141 2.701 -5.037 932 HE1 MET 40 HE1 MET 40 6.874 1.615 -6.441 933 HE2 MET 40 HE2 MET 40 7.035 2.807 -7.733 934 HE3 MET 40 HE3 MET 40 5.450 2.144 -7.336 935 H ALA 41 HN ALA 41 1.988 4.421 -2.405 936 HA ALA 41 HA ALA 41 0.427 3.291 -4.435 937 HB1 ALA 41 HB1 ALA 41 -0.525 4.491 -1.834 938 HB2 ALA 41 HB2 ALA 41 0.079 2.847 -2.046 939 HB3 ALA 41 HB3 ALA 41 -1.412 3.348 -2.843 940 H SER 42 HN SER 42 0.179 6.517 -2.937 941 HA SER 42 HA SER 42 -2.024 7.351 -4.481 942 HG SER 42 HG SER 42 0.597 8.340 -2.160 943 HB2 SER 42 HB2 SER 42 -1.314 9.671 -3.754 944 HB3 SER 42 HB1 SER 42 -1.571 8.516 -2.445 945 H ASN 43 HN ASN 43 1.462 7.850 -4.895 946 HA ASN 43 HA ASN 43 1.427 9.508 -7.122 947 HB2 ASN 43 HB2 ASN 43 3.471 8.982 -5.874 948 HB3 ASN 43 HB1 ASN 43 3.409 7.319 -6.446 949 HD21 ASN 43 HD21 ASN 43 5.400 7.438 -7.424 950 HD22 ASN 43 HD22 ASN 43 5.694 8.354 -8.862 951 H LEU 44 HN LEU 44 1.519 5.950 -7.022 952 HA LEU 44 HA LEU 44 1.530 5.595 -9.815 953 HG LEU 44 HG LEU 44 2.924 4.155 -7.346 954 HB2 LEU 44 HB2 LEU 44 0.564 3.734 -7.647 955 HB3 LEU 44 HB1 LEU 44 0.821 3.273 -9.320 956 HD11 LEU 44 HD11 LEU 44 2.452 1.535 -8.757 957 HD12 LEU 44 HD12 LEU 44 2.147 1.866 -7.052 958 HD13 LEU 44 HD13 LEU 44 3.797 1.901 -7.676 959 HD21 LEU 44 HD21 LEU 44 4.537 3.796 -9.128 960 HD22 LEU 44 HD22 LEU 44 3.382 5.052 -9.580 961 HD23 LEU 44 HD23 LEU 44 3.232 3.429 -10.256 962 H LEU 45 HN LEU 45 -1.119 5.743 -7.474 963 HA LEU 45 HA LEU 45 -3.092 4.988 -9.389 964 HG LEU 45 HG LEU 45 -2.520 3.941 -6.578 965 HB2 LEU 45 HB2 LEU 45 -3.356 6.263 -6.670 966 HB3 LEU 45 HB1 LEU 45 -4.715 5.726 -7.637 967 HD11 LEU 45 HD11 LEU 45 -3.976 4.786 -4.809 968 HD12 LEU 45 HD12 LEU 45 -4.240 3.064 -5.090 969 HD13 LEU 45 HD13 LEU 45 -5.392 4.246 -5.712 970 HD21 LEU 45 HD21 LEU 45 -5.066 3.292 -8.062 971 HD22 LEU 45 HD22 LEU 45 -3.964 2.113 -7.349 972 HD23 LEU 45 HD23 LEU 45 -3.424 3.130 -8.686 973 H THR 46 HN THR 46 -1.478 7.929 -8.831 974 HA THR 46 HA THR 46 -3.652 9.334 -10.246 975 HB THR 46 HB THR 46 -2.499 11.457 -9.459 976 HG1 THR 46 HG1 THR 46 -1.270 9.641 -7.623 977 HG21 THR 46 HG21 THR 46 -3.527 11.358 -7.231 978 HG22 THR 46 HG22 THR 46 -3.670 9.607 -7.380 979 HG23 THR 46 HG23 THR 46 -4.578 10.661 -8.465 980 H THR 47 HN THR 47 -1.095 7.705 -11.093 981 HA THR 47 HA THR 47 -0.360 9.604 -13.207 982 HB THR 47 HB THR 47 1.685 7.905 -11.767 983 HG1 THR 47 HG1 THR 47 1.367 9.433 -10.295 984 HG21 THR 47 HG21 THR 47 2.262 8.449 -14.083 985 HG22 THR 47 HG22 THR 47 3.303 9.318 -12.955 986 HG23 THR 47 HG23 THR 47 1.979 10.161 -13.759 987 H SER 48 HN SER 48 -0.433 6.212 -12.126 988 HA SER 48 HA SER 48 0.449 5.324 -14.752 989 HG SER 48 HG SER 48 2.055 3.636 -12.070 990 HB2 SER 48 HB2 SER 48 -0.251 3.690 -12.308 991 HB3 SER 48 HB1 SER 48 0.597 3.120 -13.745 992 H VAL 49 HN VAL 49 -2.471 5.318 -12.807 993 HA VAL 49 HA VAL 49 -3.843 3.813 -14.929 994 HB VAL 49 HB VAL 49 -5.601 3.364 -13.180 995 HG11 VAL 49 HG11 VAL 49 -3.956 1.680 -13.789 996 HG12 VAL 49 HG12 VAL 49 -4.305 1.601 -12.062 997 HG13 VAL 49 HG13 VAL 49 -2.812 2.351 -12.627 998 HG21 VAL 49 HG21 VAL 49 -5.062 5.178 -11.645 999 HG22 VAL 49 HG22 VAL 49 -3.485 4.456 -11.324 1000 HG23 VAL 49 HG23 VAL 49 -4.955 3.619 -10.827 1001 HA PRO 50 HA PRO 50 -6.533 7.071 -16.187 1002 HB2 PRO 50 HB2 PRO 50 -9.027 5.920 -15.558 1003 HB3 PRO 50 HB1 PRO 50 -8.174 5.812 -17.099 1004 HG2 PRO 50 HG2 PRO 50 -8.292 3.863 -14.856 1005 HG3 PRO 50 HG1 PRO 50 -8.167 3.568 -16.599 1006 HD2 PRO 50 HD2 PRO 50 -6.060 3.258 -14.976 1007 HD3 PRO 50 HD1 PRO 50 -5.872 3.916 -16.616 1008 H GLN 51 HN GLN 51 -7.085 8.898 -15.249 1009 HA GLN 51 HA GLN 51 -6.789 9.217 -12.484 1010 HB2 GLN 51 HB2 GLN 51 -7.336 11.550 -12.901 1011 HB3 GLN 51 HB1 GLN 51 -6.242 10.929 -14.129 1012 HG2 GLN 51 HG2 GLN 51 -8.292 10.550 -15.563 1013 HG3 GLN 51 HG1 GLN 51 -9.175 11.509 -14.376 1014 HE21 GLN 51 HE21 GLN 51 -8.737 12.070 -17.164 1015 HE22 GLN 51 HE22 GLN 51 -7.886 13.576 -17.241 1016 H THR 52 HN THR 52 -9.654 8.640 -14.345 1017 HA THR 52 HA THR 52 -11.358 9.585 -12.161 1018 HB THR 52 HB THR 52 -13.197 9.262 -13.821 1019 HG1 THR 52 HG1 THR 52 -12.254 9.079 -16.074 1020 HG21 THR 52 HG21 THR 52 -12.180 11.421 -13.536 1021 HG22 THR 52 HG22 THR 52 -12.451 11.157 -15.261 1022 HG23 THR 52 HG23 THR 52 -10.834 10.963 -14.575 1023 H GLN 53 HN GLN 53 -10.103 6.763 -13.553 1024 HA GLN 53 HA GLN 53 -12.234 5.103 -12.414 1025 HB2 GLN 53 HB2 GLN 53 -9.918 4.295 -14.188 1026 HB3 GLN 53 HB1 GLN 53 -11.237 3.252 -13.673 1027 HG2 GLN 53 HG2 GLN 53 -11.490 5.692 -15.419 1028 HG3 GLN 53 HG1 GLN 53 -11.548 4.015 -15.958 1029 HE21 GLN 53 HE21 GLN 53 -13.096 3.109 -13.678 1030 HE22 GLN 53 HE22 GLN 53 -14.707 3.696 -13.914 1031 H CYS 54 HN CYS 54 -9.272 6.406 -11.650 1032 HA CYS 54 HA CYS 54 -8.233 4.116 -10.202 1033 HG CYS 54 HG CYS 54 -6.097 8.234 -9.851 1034 HB2 CYS 54 HB2 CYS 54 -6.456 5.623 -9.466 1035 HB3 CYS 54 HB1 CYS 54 -6.687 5.732 -11.207 1036 H GLU 55 HN GLU 55 -9.915 7.102 -9.477 1037 HA GLU 55 HA GLU 55 -9.795 6.999 -6.681 1038 HB2 GLU 55 HB2 GLU 55 -10.547 8.943 -8.064 1039 HB3 GLU 55 HB1 GLU 55 -12.045 8.081 -8.386 1040 HG2 GLU 55 HG2 GLU 55 -12.520 8.063 -5.974 1041 HG3 GLU 55 HG1 GLU 55 -11.051 9.003 -5.701 1042 H ALA 56 HN ALA 56 -12.048 5.599 -8.996 1043 HA ALA 56 HA ALA 56 -13.873 4.531 -7.127 1044 HB1 ALA 56 HB1 ALA 56 -13.249 3.597 -9.928 1045 HB2 ALA 56 HB2 ALA 56 -14.430 4.831 -9.487 1046 HB3 ALA 56 HB3 ALA 56 -14.674 3.158 -8.985 1047 H LEU 57 HN LEU 57 -11.042 3.149 -8.760 1048 HA LEU 57 HA LEU 57 -11.339 0.572 -7.603 1049 HG LEU 57 HG LEU 57 -10.743 1.494 -10.504 1050 HB2 LEU 57 HB2 LEU 57 -8.959 1.901 -8.889 1051 HB3 LEU 57 HB1 LEU 57 -8.997 0.218 -8.397 1052 HD11 LEU 57 HD11 LEU 57 -9.513 0.043 -12.039 1053 HD12 LEU 57 HD12 LEU 57 -8.503 -0.512 -10.706 1054 HD13 LEU 57 HD13 LEU 57 -8.438 1.174 -11.218 1055 HD21 LEU 57 HD21 LEU 57 -11.556 -0.772 -10.925 1056 HD22 LEU 57 HD22 LEU 57 -11.949 -0.245 -9.289 1057 HD23 LEU 57 HD23 LEU 57 -10.616 -1.368 -9.557 1058 H ALA 58 HN ALA 58 -9.539 3.463 -6.679 1059 HA ALA 58 HA ALA 58 -8.064 2.294 -4.569 1060 HB1 ALA 58 HB1 ALA 58 -8.994 5.150 -4.864 1061 HB2 ALA 58 HB2 ALA 58 -7.501 4.479 -5.521 1062 HB3 ALA 58 HB3 ALA 58 -7.730 4.578 -3.774 1063 H GLN 59 HN GLN 59 -11.288 3.681 -4.762 1064 HA GLN 59 HA GLN 59 -11.812 3.566 -1.969 1065 HB2 GLN 59 HB2 GLN 59 -13.058 4.992 -3.615 1066 HB3 GLN 59 HB1 GLN 59 -13.819 3.531 -4.229 1067 HG2 GLN 59 HG2 GLN 59 -15.292 4.681 -2.700 1068 HG3 GLN 59 HG1 GLN 59 -14.807 3.122 -2.033 1069 HE21 GLN 59 HE21 GLN 59 -13.376 3.071 -0.281 1070 HE22 GLN 59 HE22 GLN 59 -13.120 4.459 0.719 1071 H ALA 60 HN ALA 60 -12.348 1.370 -4.680 1072 HA ALA 60 HA ALA 60 -13.717 -0.629 -3.191 1073 HB1 ALA 60 HB1 ALA 60 -13.252 -2.084 -5.102 1074 HB2 ALA 60 HB2 ALA 60 -12.117 -0.894 -5.740 1075 HB3 ALA 60 HB3 ALA 60 -13.835 -0.507 -5.632 1076 H PHE 61 HN PHE 61 -10.360 0.056 -3.866 1077 HA PHE 61 HA PHE 61 -9.159 -2.302 -2.975 1078 HD1 PHE 61 HD1 PHE 61 -6.538 -2.475 -4.210 1079 HD2 PHE 61 HD2 PHE 61 -6.569 0.311 -0.993 1080 HE1 PHE 61 HE1 PHE 61 -4.362 -3.333 -3.447 1081 HE2 PHE 61 HE2 PHE 61 -4.398 -0.544 -0.225 1082 HZ PHE 61 HZ PHE 61 -3.292 -2.364 -1.453 1083 HB2 PHE 61 HB2 PHE 61 -8.003 -0.497 -4.215 1084 HB3 PHE 61 HB1 PHE 61 -8.110 0.534 -2.795 1085 H SER 62 HN SER 62 -9.971 0.673 -1.211 1086 HA SER 62 HA SER 62 -8.967 -0.187 1.277 1087 HG SER 62 HG SER 62 -10.255 2.540 -0.545 1088 HB2 SER 62 HB2 SER 62 -10.792 1.612 2.047 1089 HB3 SER 62 HB1 SER 62 -9.257 2.077 1.316 1090 H ASN 63 HN ASN 63 -12.250 -0.266 -0.093 1091 HA ASN 63 HA ASN 63 -13.640 -1.467 1.965 1092 HB2 ASN 63 HB2 ASN 63 -13.883 -2.121 -0.983 1093 HB3 ASN 63 HB1 ASN 63 -15.069 -2.532 0.244 1094 HD21 ASN 63 HD21 ASN 63 -14.700 0.050 1.626 1095 HD22 ASN 63 HD22 ASN 63 -15.514 1.213 0.640 1096 H SER 64 HN SER 64 -11.712 -3.040 -0.557 1097 HA SER 64 HA SER 64 -12.126 -5.686 0.245 1098 HG SER 64 HG SER 64 -10.156 -6.981 -0.346 1099 HB2 SER 64 HB2 SER 64 -11.158 -4.979 -1.943 1100 HB3 SER 64 HB1 SER 64 -9.667 -4.548 -1.108 1101 H LEU 65 HN LEU 65 -9.762 -3.285 1.308 1102 HA LEU 65 HA LEU 65 -8.159 -5.024 2.851 1103 HG LEU 65 HG LEU 65 -7.516 -2.579 1.063 1104 HB2 LEU 65 HB2 LEU 65 -8.690 -2.068 3.155 1105 HB3 LEU 65 HB1 LEU 65 -7.472 -2.946 4.059 1106 HD11 LEU 65 HD11 LEU 65 -5.742 -1.381 3.187 1107 HD12 LEU 65 HD12 LEU 65 -6.981 -0.529 2.265 1108 HD13 LEU 65 HD13 LEU 65 -5.555 -1.170 1.447 1109 HD21 LEU 65 HD21 LEU 65 -5.310 -3.624 1.107 1110 HD22 LEU 65 HD22 LEU 65 -6.543 -4.725 1.723 1111 HD23 LEU 65 HD23 LEU 65 -5.464 -3.896 2.843 1112 H ILE 66 HN ILE 66 -10.943 -2.990 3.708 1113 HA ILE 66 HA ILE 66 -10.990 -3.578 6.456 1114 HB ILE 66 HB ILE 66 -13.538 -3.165 4.916 1115 HG12 ILE 66 HG12 ILE 66 -11.982 -1.553 3.943 1116 HG13 ILE 66 HG11 ILE 66 -13.165 -0.731 4.951 1117 HG21 ILE 66 HG21 ILE 66 -14.139 -1.828 6.891 1118 HG22 ILE 66 HG22 ILE 66 -12.563 -2.188 7.596 1119 HG23 ILE 66 HG23 ILE 66 -13.717 -3.491 7.308 1120 HD11 ILE 66 HD11 ILE 66 -11.516 -0.513 6.723 1121 HD12 ILE 66 HD12 ILE 66 -10.935 0.197 5.214 1122 HD13 ILE 66 HD13 ILE 66 -10.334 -1.376 5.738 1123 H ASN 67 HN ASN 67 -12.486 -5.154 3.677 1124 HA ASN 67 HA ASN 67 -13.913 -7.112 5.154 1125 HB2 ASN 67 HB2 ASN 67 -13.017 -7.071 2.266 1126 HB3 ASN 67 HB1 ASN 67 -14.073 -8.300 2.951 1127 HD21 ASN 67 HD21 ASN 67 -15.466 -6.423 4.680 1128 HD22 ASN 67 HD22 ASN 67 -16.497 -5.489 3.654 1129 H ALA 68 HN ALA 68 -10.724 -7.067 3.634 1130 HA ALA 68 HA ALA 68 -10.069 -9.765 3.961 1131 HB1 ALA 68 HB1 ALA 68 -8.764 -8.215 2.580 1132 HB2 ALA 68 HB2 ALA 68 -7.746 -9.069 3.739 1133 HB3 ALA 68 HB3 ALA 68 -8.205 -7.393 4.037 1134 H VAL 69 HN VAL 69 -9.563 -7.005 6.140 1135 HA VAL 69 HA VAL 69 -8.217 -8.374 8.179 1136 HB VAL 69 HB VAL 69 -10.099 -6.020 8.454 1137 HG11 VAL 69 HG11 VAL 69 -8.867 -5.535 10.520 1138 HG12 VAL 69 HG12 VAL 69 -7.956 -7.032 10.321 1139 HG13 VAL 69 HG13 VAL 69 -9.697 -7.089 10.602 1140 HG21 VAL 69 HG21 VAL 69 -7.108 -6.115 8.074 1141 HG22 VAL 69 HG22 VAL 69 -8.059 -4.659 8.375 1142 HG23 VAL 69 HG23 VAL 69 -8.294 -5.575 6.885 1143 H LYS 70 HN LYS 70 -11.697 -7.806 7.715 1144 HA LYS 70 HA LYS 70 -12.507 -9.086 10.102 1145 HB2 LYS 70 HB2 LYS 70 -14.049 -8.611 7.548 1146 HB3 LYS 70 HB1 LYS 70 -14.759 -9.122 9.073 1147 HG2 LYS 70 HG2 LYS 70 -13.959 -7.044 10.117 1148 HG3 LYS 70 HG1 LYS 70 -13.324 -6.528 8.554 1149 HD2 LYS 70 HD2 LYS 70 -15.584 -6.607 7.614 1150 HD3 LYS 70 HD1 LYS 70 -16.216 -7.118 9.182 1151 HE2 LYS 70 HE2 LYS 70 -15.314 -5.014 10.156 1152 HE3 LYS 70 HE1 LYS 70 -14.870 -4.503 8.528 1153 HZ1 LYS 70 HZ1 LYS 70 -16.984 -3.564 9.225 1154 HZ2 LYS 70 HZ2 LYS 70 -17.627 -5.116 9.450 1155 HZ3 LYS 70 HZ3 LYS 70 -17.192 -4.593 7.895 1156 H THR 71 HN THR 71 -11.890 -10.287 6.869 1157 HA THR 71 HA THR 71 -13.042 -12.871 7.340 1158 HB THR 71 HB THR 71 -11.074 -12.061 5.186 1159 HG1 THR 71 HG1 THR 71 -12.796 -10.729 4.892 1160 HG21 THR 71 HG21 THR 71 -12.084 -13.901 3.915 1161 HG22 THR 71 HG22 THR 71 -13.113 -14.292 5.293 1162 HG23 THR 71 HG23 THR 71 -11.364 -14.486 5.415 1163 H ARG 72 HN ARG 72 -9.917 -11.397 7.753 1164 HA ARG 72 HA ARG 72 -8.346 -13.738 7.931 1165 HE ARG 72 HE ARG 72 -6.271 -15.083 8.853 1166 HB2 ARG 72 HB2 ARG 72 -7.510 -11.380 7.626 1167 HB3 ARG 72 HB1 ARG 72 -7.854 -11.104 9.326 1168 HG2 ARG 72 HG2 ARG 72 -5.522 -11.552 9.078 1169 HG3 ARG 72 HG1 ARG 72 -6.271 -12.927 9.891 1170 HD2 ARG 72 HD2 ARG 72 -5.890 -12.888 6.921 1171 HD3 ARG 72 HD1 ARG 72 -4.585 -13.382 7.997 1172 HH11 ARG 72 HH11 ARG 72 -6.301 -13.876 5.559 1173 HH12 ARG 72 HH12 ARG 72 -6.987 -15.323 4.902 1174 HH21 ARG 72 HH21 ARG 72 -7.193 -16.966 8.002 1175 HH22 ARG 72 HH22 ARG 72 -7.525 -17.087 6.301 1176 H LEU 73 HN LEU 73 -9.775 -11.681 10.440 1177 HA LEU 73 HA LEU 73 -9.108 -13.519 12.546 1178 HG LEU 73 HG LEU 73 -9.149 -10.200 14.161 1179 HB2 LEU 73 HB2 LEU 73 -10.780 -11.017 12.452 1180 HB3 LEU 73 HB1 LEU 73 -10.671 -12.001 13.897 1181 HD11 LEU 73 HD11 LEU 73 -7.591 -12.649 13.361 1182 HD12 LEU 73 HD12 LEU 73 -8.326 -12.349 14.936 1183 HD13 LEU 73 HD13 LEU 73 -7.002 -11.330 14.372 1184 HD21 LEU 73 HD21 LEU 73 -7.366 -9.686 12.575 1185 HD22 LEU 73 HD22 LEU 73 -8.957 -9.509 11.835 1186 HD23 LEU 73 HD23 LEU 73 -7.974 -10.930 11.483 1187 H GLU 74 HN GLU 74 -11.891 -12.843 10.564 1188 HA GLU 74 HA GLU 74 -13.794 -13.968 10.136 1189 HB2 GLU 74 HB2 GLU 74 -11.956 -15.966 10.778 1190 HB3 GLU 74 HB1 GLU 74 -13.380 -16.354 11.731 1191 HG2 GLU 74 HG2 GLU 74 -13.399 -15.858 8.762 1192 HG3 GLU 74 HG1 GLU 74 -13.329 -17.451 9.514 1193 H HIS 75 HN HIS 75 -15.359 -15.679 11.698 1194 HA HIS 75 HA HIS 75 -16.006 -14.044 14.057 1195 HD1 HIS 75 HD1 HIS 75 -16.551 -13.884 10.050 1196 HD2 HIS 75 HD2 HIS 75 -18.068 -11.216 12.861 1197 HE1 HIS 75 HE1 HIS 75 -16.438 -11.616 8.969 1198 HE2 HIS 75 HE2 HIS 75 -17.650 -10.094 10.572 1199 HB2 HIS 75 HB2 HIS 75 -18.071 -14.923 12.028 1200 HB3 HIS 75 HB1 HIS 75 -18.316 -13.867 13.411 1201 H HIS 76 HN HIS 76 -17.022 -15.176 15.709 1202 HA HIS 76 HA HIS 76 -17.687 -16.970 16.963 1203 HD1 HIS 76 HD1 HIS 76 -19.709 -20.181 14.577 1204 HD2 HIS 76 HD2 HIS 76 -20.133 -17.982 18.078 1205 HE1 HIS 76 HE1 HIS 76 -20.958 -21.676 16.166 1206 HE2 HIS 76 HE2 HIS 76 -21.468 -20.198 18.144 1207 HB2 HIS 76 HB2 HIS 76 -19.606 -16.733 15.394 1208 HB3 HIS 76 HB1 HIS 76 -18.848 -17.904 14.326 1209 H HIS 77 HN HIS 77 -15.395 -17.575 17.156 1210 HA HIS 77 HA HIS 77 -14.718 -19.962 15.564 1211 HD1 HIS 77 HD1 HIS 77 -10.649 -19.377 16.270 1212 HD2 HIS 77 HD2 HIS 77 -13.129 -19.848 12.958 1213 HE1 HIS 77 HE1 HIS 77 -9.362 -20.810 14.651 1214 HE2 HIS 77 HE2 HIS 77 -10.798 -20.912 12.579 1215 HB2 HIS 77 HB2 HIS 77 -13.619 -17.738 14.868 1216 HB3 HIS 77 HB1 HIS 77 -12.679 -17.890 16.347 1217 H HIS 78 HN HIS 78 -15.176 -18.772 18.645 1218 HA HIS 78 HA HIS 78 -13.716 -20.993 19.800 1219 HD1 HIS 78 HD1 HIS 78 -13.066 -17.780 22.916 1220 HD2 HIS 78 HD2 HIS 78 -13.256 -16.691 18.901 1221 HE1 HIS 78 HE1 HIS 78 -13.546 -15.309 22.899 1222 HE2 HIS 78 HE2 HIS 78 -13.788 -14.697 20.462 1223 HB2 HIS 78 HB2 HIS 78 -12.448 -19.652 21.394 1224 HB3 HIS 78 HB1 HIS 78 -12.013 -19.217 19.747 1225 H HIS 79 HN HIS 79 -14.458 -21.668 21.744 1226 HA HIS 79 HA HIS 79 -15.545 -21.737 23.737 1227 HD1 HIS 79 HD1 HIS 79 -18.745 -19.776 24.474 1228 HD2 HIS 79 HD2 HIS 79 -15.227 -19.629 26.696 1229 HE1 HIS 79 HE1 HIS 79 -19.460 -19.762 26.884 1230 HE2 HIS 79 HE2 HIS 79 -17.325 -19.506 28.199 1231 HB2 HIS 79 HB2 HIS 79 -14.977 -19.343 24.016 1232 HB3 HIS 79 HB1 HIS 79 -16.466 -18.913 23.184 1233 H HIS 80 HN HIS 80 -17.380 -20.341 21.063 1234 HA HIS 80 HA HIS 80 -19.542 -20.532 20.395 1235 HD1 HIS 80 HD1 HIS 80 -21.413 -23.039 19.189 1236 HD2 HIS 80 HD2 HIS 80 -22.436 -22.036 23.096 1237 HE1 HIS 80 HE1 HIS 80 -23.926 -23.152 19.288 1238 HE2 HIS 80 HE2 HIS 80 -24.514 -22.682 21.690 1239 HB2 HIS 80 HB2 HIS 80 -19.423 -22.956 20.743 1240 HB3 HIS 80 HB1 HIS 80 -19.728 -22.747 22.462 Start of MODEL 15 1 HA MET 1 HA MET 1 26.403 1.695 18.148 2 H1 MET 1 HT1 MET 1 24.441 0.459 18.680 3 H2 MET 1 HT2 MET 1 25.792 -0.536 18.905 4 H3 MET 1 HT3 MET 1 24.816 -0.730 17.533 5 HB2 MET 1 HB2 MET 1 26.906 -0.547 16.176 6 HB3 MET 1 HB1 MET 1 27.794 0.969 16.206 7 HG2 MET 1 HG2 MET 1 27.715 -1.074 18.411 8 HG3 MET 1 HG1 MET 1 29.038 -0.820 17.274 9 HE1 MET 1 HE1 MET 1 30.741 -0.600 19.307 10 HE2 MET 1 HE2 MET 1 29.403 -0.881 20.421 11 HE3 MET 1 HE3 MET 1 30.487 0.488 20.672 12 H ALA 2 HN ALA 2 23.539 1.372 17.399 13 HA ALA 2 HA ALA 2 23.625 2.394 14.634 14 HB1 ALA 2 HB1 ALA 2 21.350 1.557 14.368 15 HB2 ALA 2 HB2 ALA 2 21.359 0.977 16.033 16 HB3 ALA 2 HB3 ALA 2 22.444 0.258 14.845 17 H GLN 3 HN GLN 3 23.174 4.468 14.411 18 HA GLN 3 HA GLN 3 21.995 6.010 16.529 19 HB2 GLN 3 HB2 GLN 3 22.826 6.724 13.710 20 HB3 GLN 3 HB1 GLN 3 22.140 7.883 14.844 21 HG2 GLN 3 HG2 GLN 3 23.985 7.511 16.375 22 HG3 GLN 3 HG1 GLN 3 24.666 6.307 15.283 23 HE21 GLN 3 HE21 GLN 3 23.992 7.843 12.896 24 HE22 GLN 3 HE22 GLN 3 25.131 9.139 12.830 25 H HIS 4 HN HIS 4 20.093 7.461 16.076 26 HA HIS 4 HA HIS 4 18.017 5.725 14.923 27 HD1 HIS 4 HD1 HIS 4 18.477 7.163 19.247 28 HD2 HIS 4 HD2 HIS 4 17.423 3.940 16.844 29 HE1 HIS 4 HE1 HIS 4 18.878 5.111 20.648 30 HE2 HIS 4 HE2 HIS 4 18.005 3.200 19.253 31 HB2 HIS 4 HB2 HIS 4 17.756 7.888 17.020 32 HB3 HIS 4 HB1 HIS 4 16.452 6.858 16.439 33 H SER 5 HN SER 5 17.756 6.383 12.860 34 HA SER 5 HA SER 5 17.422 9.133 12.139 35 HG SER 5 HG SER 5 18.880 7.489 9.784 36 HB2 SER 5 HB2 SER 5 16.468 6.725 10.579 37 HB3 SER 5 HB1 SER 5 16.949 8.305 9.955 38 H LYS 6 HN LYS 6 15.759 10.179 13.102 39 HA LYS 6 HA LYS 6 13.404 8.710 13.896 40 HB2 LYS 6 HB2 LYS 6 14.152 11.608 14.303 41 HB3 LYS 6 HB1 LYS 6 12.746 10.821 15.005 42 HG2 LYS 6 HG2 LYS 6 14.139 9.377 16.319 43 HG3 LYS 6 HG1 LYS 6 15.591 9.981 15.519 44 HD2 LYS 6 HD2 LYS 6 15.145 12.218 16.425 45 HD3 LYS 6 HD1 LYS 6 13.713 11.592 17.245 46 HE2 LYS 6 HE2 LYS 6 16.545 10.656 17.716 47 HE3 LYS 6 HE1 LYS 6 15.669 11.790 18.741 48 HZ1 LYS 6 HZ1 LYS 6 15.496 9.667 19.731 49 HZ2 LYS 6 HZ2 LYS 6 15.042 8.926 18.280 50 HZ3 LYS 6 HZ3 LYS 6 13.980 9.994 19.050 51 H TYR 7 HN TYR 7 13.653 11.941 12.390 52 HA TYR 7 HA TYR 7 11.528 11.179 10.532 53 HD1 TYR 7 HD1 TYR 7 8.888 11.157 10.979 54 HD2 TYR 7 HD2 TYR 7 10.835 12.535 14.499 55 HE1 TYR 7 HE1 TYR 7 7.371 9.790 12.343 56 HE2 TYR 7 HE2 TYR 7 9.319 11.174 15.878 57 HH TYR 7 HH TYR 7 7.202 8.805 14.522 58 HB2 TYR 7 HB2 TYR 7 11.362 13.515 12.442 59 HB3 TYR 7 HB1 TYR 7 10.300 13.301 11.056 60 H SER 8 HN SER 8 13.153 11.300 8.979 61 HA SER 8 HA SER 8 13.764 14.047 8.149 62 HG SER 8 HG SER 8 15.690 13.519 9.452 63 HB2 SER 8 HB2 SER 8 15.323 11.546 7.462 64 HB3 SER 8 HB1 SER 8 15.747 13.204 7.033 65 H ASP 9 HN ASP 9 12.671 14.663 6.393 66 HA ASP 9 HA ASP 9 11.102 12.875 4.856 67 HB2 ASP 9 HB2 ASP 9 10.591 14.727 3.427 68 HB3 ASP 9 HB1 ASP 9 10.682 15.358 5.065 69 H ALA 10 HN ALA 10 14.381 13.808 4.815 70 HA ALA 10 HA ALA 10 14.978 13.020 2.127 71 HB1 ALA 10 HB1 ALA 10 16.798 13.258 4.527 72 HB2 ALA 10 HB2 ALA 10 16.458 14.532 3.353 73 HB3 ALA 10 HB3 ALA 10 17.321 13.076 2.853 74 H GLN 11 HN GLN 11 14.976 11.491 5.295 75 HA GLN 11 HA GLN 11 16.002 8.977 4.416 76 HB2 GLN 11 HB2 GLN 11 16.068 9.646 6.778 77 HB3 GLN 11 HB1 GLN 11 14.313 9.689 6.832 78 HG2 GLN 11 HG2 GLN 11 15.188 7.676 7.878 79 HG3 GLN 11 HG1 GLN 11 14.221 7.292 6.455 80 HE21 GLN 11 HE21 GLN 11 17.440 7.378 7.795 81 HE22 GLN 11 HE22 GLN 11 18.182 6.394 6.581 82 H LEU 12 HN LEU 12 12.769 10.277 5.002 83 HA LEU 12 HA LEU 12 11.230 8.076 4.327 84 HG LEU 12 HG LEU 12 8.252 10.277 4.394 85 HB2 LEU 12 HB2 LEU 12 10.373 10.175 5.304 86 HB3 LEU 12 HB1 LEU 12 10.660 10.995 3.787 87 HD11 LEU 12 HD11 LEU 12 7.680 9.927 2.066 88 HD12 LEU 12 HD12 LEU 12 9.363 9.558 1.689 89 HD13 LEU 12 HD13 LEU 12 8.916 11.179 2.216 90 HD21 LEU 12 HD21 LEU 12 9.338 7.650 3.387 91 HD22 LEU 12 HD22 LEU 12 7.633 8.028 3.645 92 HD23 LEU 12 HD23 LEU 12 8.743 7.977 5.016 93 H SER 13 HN SER 13 12.378 10.683 2.177 94 HA SER 13 HA SER 13 11.281 9.702 -0.189 95 HG SER 13 HG SER 13 12.146 12.429 1.038 96 HB2 SER 13 HB2 SER 13 13.838 11.286 0.149 97 HB3 SER 13 HB1 SER 13 12.927 11.109 -1.350 98 H ALA 14 HN ALA 14 14.417 9.005 1.316 99 HA ALA 14 HA ALA 14 15.497 7.467 -0.774 100 HB1 ALA 14 HB1 ALA 14 16.835 8.339 1.088 101 HB2 ALA 14 HB2 ALA 14 17.048 6.598 0.894 102 HB3 ALA 14 HB3 ALA 14 16.024 7.223 2.186 103 H ILE 15 HN ILE 15 13.357 6.634 1.890 104 HA ILE 15 HA ILE 15 13.505 3.817 1.543 105 HB ILE 15 HB ILE 15 11.325 5.480 2.816 106 HG12 ILE 15 HG12 ILE 15 13.609 3.990 4.120 107 HG13 ILE 15 HG11 ILE 15 13.621 5.721 3.798 108 HG21 ILE 15 HG21 ILE 15 10.711 3.402 3.984 109 HG22 ILE 15 HG22 ILE 15 11.904 2.527 3.025 110 HG23 ILE 15 HG23 ILE 15 10.512 3.268 2.237 111 HD11 ILE 15 HD11 ILE 15 13.054 5.255 6.108 112 HD12 ILE 15 HD12 ILE 15 11.685 4.270 5.587 113 HD13 ILE 15 HD13 ILE 15 11.697 6.005 5.266 114 H VAL 16 HN VAL 16 11.101 6.256 0.518 115 HA VAL 16 HA VAL 16 9.373 4.391 -0.731 116 HB VAL 16 HB VAL 16 9.529 7.225 -1.694 117 HG11 VAL 16 HG11 VAL 16 7.128 7.009 -1.837 118 HG12 VAL 16 HG12 VAL 16 7.191 5.435 -1.047 119 HG13 VAL 16 HG13 VAL 16 7.893 5.645 -2.654 120 HG21 VAL 16 HG21 VAL 16 8.357 6.379 0.952 121 HG22 VAL 16 HG22 VAL 16 8.195 7.971 0.210 122 HG23 VAL 16 HG23 VAL 16 9.780 7.395 0.725 123 H ASN 17 HN ASN 17 12.023 6.392 -1.950 124 HA ASN 17 HA ASN 17 11.648 5.715 -4.681 125 HB2 ASN 17 HB2 ASN 17 13.887 6.980 -3.138 126 HB3 ASN 17 HB1 ASN 17 14.157 6.462 -4.798 127 HD21 ASN 17 HD21 ASN 17 12.371 8.630 -2.729 128 HD22 ASN 17 HD22 ASN 17 11.859 9.718 -3.975 129 H ASP 18 HN ASP 18 13.364 4.163 -2.054 130 HA ASP 18 HA ASP 18 14.900 2.420 -3.673 131 HB2 ASP 18 HB2 ASP 18 15.236 2.973 -1.176 132 HB3 ASP 18 HB1 ASP 18 13.968 1.790 -0.875 133 H MET 19 HN MET 19 11.839 2.053 -1.893 134 HA MET 19 HA MET 19 11.121 -0.502 -2.658 135 HB2 MET 19 HB2 MET 19 9.377 1.943 -2.317 136 HB3 MET 19 HB1 MET 19 8.741 0.317 -2.514 137 HG2 MET 19 HG2 MET 19 9.816 -0.385 -0.467 138 HG3 MET 19 HG1 MET 19 10.548 1.209 -0.281 139 HE1 MET 19 HE1 MET 19 8.771 -0.331 1.936 140 HE2 MET 19 HE2 MET 19 7.826 1.014 2.571 141 HE3 MET 19 HE3 MET 19 9.541 1.232 2.219 142 H ILE 20 HN ILE 20 10.434 2.529 -4.380 143 HA ILE 20 HA ILE 20 9.156 1.343 -6.591 144 HB ILE 20 HB ILE 20 10.618 3.985 -6.435 145 HG12 ILE 20 HG12 ILE 20 7.677 3.335 -6.143 146 HG13 ILE 20 HG11 ILE 20 8.764 3.732 -4.817 147 HG21 ILE 20 HG21 ILE 20 8.607 3.011 -8.463 148 HG22 ILE 20 HG22 ILE 20 10.330 3.251 -8.749 149 HG23 ILE 20 HG23 ILE 20 9.295 4.633 -8.386 150 HD11 ILE 20 HD11 ILE 20 7.998 5.553 -7.087 151 HD12 ILE 20 HD12 ILE 20 9.115 5.952 -5.783 152 HD13 ILE 20 HD13 ILE 20 7.415 5.644 -5.424 153 H ALA 21 HN ALA 21 12.539 2.359 -6.112 154 HA ALA 21 HA ALA 21 13.412 1.766 -8.723 155 HB1 ALA 21 HB1 ALA 21 15.028 1.802 -6.180 156 HB2 ALA 21 HB2 ALA 21 14.676 3.197 -7.201 157 HB3 ALA 21 HB3 ALA 21 15.669 1.877 -7.821 158 H VAL 22 HN VAL 22 13.497 -0.172 -5.741 159 HA VAL 22 HA VAL 22 14.846 -2.383 -6.860 160 HB VAL 22 HB VAL 22 12.865 -2.413 -4.569 161 HG11 VAL 22 HG11 VAL 22 13.366 -4.638 -5.443 162 HG12 VAL 22 HG12 VAL 22 14.041 -4.414 -3.829 163 HG13 VAL 22 HG13 VAL 22 15.091 -4.329 -5.243 164 HG21 VAL 22 HG21 VAL 22 15.835 -1.893 -4.582 165 HG22 VAL 22 HG22 VAL 22 14.905 -2.258 -3.131 166 HG23 VAL 22 HG23 VAL 22 14.554 -0.793 -4.055 167 H LEU 23 HN LEU 23 11.396 -1.645 -6.525 168 HA LEU 23 HA LEU 23 10.411 -4.022 -7.686 169 HG LEU 23 HG LEU 23 7.973 -2.966 -9.158 170 HB2 LEU 23 HB2 LEU 23 9.058 -2.362 -6.400 171 HB3 LEU 23 HB1 LEU 23 9.167 -1.269 -7.766 172 HD11 LEU 23 HD11 LEU 23 6.798 -4.783 -7.998 173 HD12 LEU 23 HD12 LEU 23 7.641 -4.364 -6.508 174 HD13 LEU 23 HD13 LEU 23 8.549 -4.959 -7.898 175 HD21 LEU 23 HD21 LEU 23 6.781 -1.100 -8.131 176 HD22 LEU 23 HD22 LEU 23 6.530 -2.059 -6.670 177 HD23 LEU 23 HD23 LEU 23 5.775 -2.549 -8.187 178 H GLU 24 HN GLU 24 11.242 -0.876 -9.047 179 HA GLU 24 HA GLU 24 10.555 -1.329 -11.717 180 HB2 GLU 24 HB2 GLU 24 11.091 0.876 -10.870 181 HB3 GLU 24 HB1 GLU 24 12.735 0.378 -10.506 182 HG2 GLU 24 HG2 GLU 24 13.023 -0.034 -12.979 183 HG3 GLU 24 HG1 GLU 24 11.478 0.790 -13.198 184 H LYS 25 HN LYS 25 13.452 -2.147 -9.908 185 HA LYS 25 HA LYS 25 15.020 -2.862 -12.166 186 HB2 LYS 25 HB2 LYS 25 15.402 -2.579 -9.373 187 HB3 LYS 25 HB1 LYS 25 15.934 -4.198 -9.810 188 HG2 LYS 25 HG2 LYS 25 17.748 -2.550 -9.902 189 HG3 LYS 25 HG1 LYS 25 17.440 -3.305 -11.467 190 HD2 LYS 25 HD2 LYS 25 17.734 -1.004 -11.910 191 HD3 LYS 25 HD1 LYS 25 15.997 -1.291 -11.998 192 HE2 LYS 25 HE2 LYS 25 15.733 -0.418 -9.735 193 HE3 LYS 25 HE1 LYS 25 17.473 -0.152 -9.629 194 HZ1 LYS 25 HZ1 LYS 25 17.226 1.348 -11.594 195 HZ2 LYS 25 HZ2 LYS 25 16.478 1.906 -10.180 196 HZ3 LYS 25 HZ3 LYS 25 15.541 1.225 -11.420 197 H HIS 26 HN HIS 26 12.523 -4.480 -10.503 198 HA HIS 26 HA HIS 26 13.250 -7.029 -11.771 199 HD1 HIS 26 HD1 HIS 26 9.417 -7.880 -11.489 200 HD2 HIS 26 HD2 HIS 26 12.576 -9.876 -9.662 201 HE1 HIS 26 HE1 HIS 26 8.874 -10.325 -11.680 202 HE2 HIS 26 HE2 HIS 26 10.837 -11.524 -10.653 203 HB2 HIS 26 HB2 HIS 26 12.515 -7.148 -9.410 204 HB3 HIS 26 HB1 HIS 26 10.987 -6.396 -9.853 205 H LYS 27 HN LYS 27 11.061 -4.365 -11.868 206 HA LYS 27 HA LYS 27 9.409 -3.697 -13.231 207 HB2 LYS 27 HB2 LYS 27 10.997 -4.189 -15.061 208 HB3 LYS 27 HB1 LYS 27 10.392 -5.838 -15.128 209 HG2 LYS 27 HG2 LYS 27 8.226 -5.073 -15.823 210 HG3 LYS 27 HG1 LYS 27 8.706 -3.392 -15.600 211 HD2 LYS 27 HD2 LYS 27 8.763 -3.977 -17.953 212 HD3 LYS 27 HD1 LYS 27 10.395 -3.654 -17.366 213 HE2 LYS 27 HE2 LYS 27 10.846 -6.026 -17.209 214 HE3 LYS 27 HE1 LYS 27 9.186 -6.402 -17.676 215 HZ1 LYS 27 HZ1 LYS 27 10.772 -6.599 -19.527 216 HZ2 LYS 27 HZ2 LYS 27 11.133 -4.948 -19.386 217 HZ3 LYS 27 HZ3 LYS 27 9.572 -5.438 -19.825 218 H ALA 28 HN ALA 28 7.753 -4.242 -11.918 219 HA ALA 28 HA ALA 28 6.506 -6.869 -12.321 220 HB1 ALA 28 HB1 ALA 28 5.975 -4.791 -10.196 221 HB2 ALA 28 HB2 ALA 28 6.939 -6.254 -9.993 222 HB3 ALA 28 HB3 ALA 28 5.207 -6.373 -10.306 223 HA PRO 29 HA PRO 29 3.418 -5.000 -14.885 224 HB2 PRO 29 HB2 PRO 29 1.621 -7.151 -13.998 225 HB3 PRO 29 HB1 PRO 29 2.246 -6.811 -15.613 226 HG2 PRO 29 HG2 PRO 29 3.073 -8.928 -14.186 227 HG3 PRO 29 HG1 PRO 29 4.161 -8.050 -15.277 228 HD2 PRO 29 HD2 PRO 29 3.925 -7.895 -12.299 229 HD3 PRO 29 HD1 PRO 29 5.385 -7.905 -13.312 230 H VAL 30 HN VAL 30 1.434 -3.889 -14.715 231 HA VAL 30 HA VAL 30 1.072 -2.537 -12.302 232 HB VAL 30 HB VAL 30 -0.938 -2.750 -14.550 233 HG11 VAL 30 HG11 VAL 30 -0.508 -0.614 -12.464 234 HG12 VAL 30 HG12 VAL 30 -1.868 -1.735 -12.547 235 HG13 VAL 30 HG13 VAL 30 -1.648 -0.520 -13.806 236 HG21 VAL 30 HG21 VAL 30 1.239 -2.118 -15.427 237 HG22 VAL 30 HG22 VAL 30 1.376 -0.842 -14.217 238 HG23 VAL 30 HG23 VAL 30 0.136 -0.743 -15.466 239 H ASP 31 HN ASP 31 -0.497 -5.404 -13.564 240 HA ASP 31 HA ASP 31 -2.630 -5.380 -11.646 241 HB2 ASP 31 HB2 ASP 31 -2.782 -6.560 -13.827 242 HB3 ASP 31 HB1 ASP 31 -1.562 -7.700 -13.270 243 H LEU 32 HN LEU 32 0.413 -7.181 -11.946 244 HA LEU 32 HA LEU 32 0.061 -8.657 -9.552 245 HG LEU 32 HG LEU 32 0.841 -9.678 -12.249 246 HB2 LEU 32 HB2 LEU 32 2.487 -8.127 -11.251 247 HB3 LEU 32 HB1 LEU 32 2.539 -9.125 -9.810 248 HD11 LEU 32 HD11 LEU 32 2.369 -11.515 -12.663 249 HD12 LEU 32 HD12 LEU 32 3.330 -11.058 -11.256 250 HD13 LEU 32 HD13 LEU 32 3.244 -9.984 -12.652 251 HD21 LEU 32 HD21 LEU 32 0.402 -11.831 -11.171 252 HD22 LEU 32 HD22 LEU 32 -0.188 -10.489 -10.190 253 HD23 LEU 32 HD23 LEU 32 1.310 -11.309 -9.754 254 H SER 33 HN SER 33 1.671 -5.600 -10.280 255 HA SER 33 HA SER 33 3.044 -5.336 -7.837 256 HG SER 33 HG SER 33 1.918 -2.133 -10.041 257 HB2 SER 33 HB2 SER 33 3.051 -2.884 -8.375 258 HB3 SER 33 HB1 SER 33 3.616 -3.908 -9.695 259 H LEU 34 HN LEU 34 -0.225 -4.415 -8.810 260 HA LEU 34 HA LEU 34 -0.914 -3.113 -6.399 261 HG LEU 34 HG LEU 34 -1.509 -2.435 -9.343 262 HB2 LEU 34 HB2 LEU 34 -2.636 -4.439 -8.490 263 HB3 LEU 34 HB1 LEU 34 -3.277 -3.516 -7.146 264 HD11 LEU 34 HD11 LEU 34 -3.515 -1.199 -10.011 265 HD12 LEU 34 HD12 LEU 34 -4.441 -2.030 -8.762 266 HD13 LEU 34 HD13 LEU 34 -3.762 -2.942 -10.109 267 HD21 LEU 34 HD21 LEU 34 -2.015 -0.242 -8.337 268 HD22 LEU 34 HD22 LEU 34 -1.086 -1.281 -7.257 269 HD23 LEU 34 HD23 LEU 34 -2.816 -1.062 -6.996 270 H ILE 35 HN ILE 35 -1.095 -6.475 -7.450 271 HA ILE 35 HA ILE 35 -2.578 -7.404 -5.217 272 HB ILE 35 HB ILE 35 -0.613 -9.013 -6.856 273 HG12 ILE 35 HG12 ILE 35 -3.583 -8.638 -7.315 274 HG13 ILE 35 HG11 ILE 35 -2.324 -7.840 -8.254 275 HG21 ILE 35 HG21 ILE 35 -2.992 -9.805 -5.179 276 HG22 ILE 35 HG22 ILE 35 -1.295 -10.107 -4.808 277 HG23 ILE 35 HG23 ILE 35 -2.050 -10.904 -6.188 278 HD11 ILE 35 HD11 ILE 35 -3.216 -9.774 -9.417 279 HD12 ILE 35 HD12 ILE 35 -2.760 -10.810 -8.065 280 HD13 ILE 35 HD13 ILE 35 -1.515 -10.003 -9.016 281 H ALA 36 HN ALA 36 0.911 -7.339 -5.921 282 HA ALA 36 HA ALA 36 1.832 -8.444 -3.543 283 HB1 ALA 36 HB1 ALA 36 3.960 -7.338 -4.050 284 HB2 ALA 36 HB2 ALA 36 3.153 -6.340 -5.261 285 HB3 ALA 36 HB3 ALA 36 3.267 -8.085 -5.490 286 H LEU 37 HN LEU 37 1.189 -5.056 -4.387 287 HA LEU 37 HA LEU 37 1.944 -3.994 -1.876 288 HG LEU 37 HG LEU 37 -0.034 -1.610 -1.767 289 HB2 LEU 37 HB2 LEU 37 1.759 -2.671 -3.957 290 HB3 LEU 37 HB1 LEU 37 0.019 -2.862 -3.901 291 HD11 LEU 37 HD11 LEU 37 1.966 -0.391 -1.044 292 HD12 LEU 37 HD12 LEU 37 2.908 -1.209 -2.290 293 HD13 LEU 37 HD13 LEU 37 2.204 -2.138 -0.967 294 HD21 LEU 37 HD21 LEU 37 -0.382 -0.452 -3.893 295 HD22 LEU 37 HD22 LEU 37 1.354 -0.169 -4.021 296 HD23 LEU 37 HD23 LEU 37 0.433 0.583 -2.720 297 H GLY 38 HN GLY 38 -1.163 -5.054 -3.203 298 HA2 GLY 38 HA2 GLY 38 -2.790 -4.235 -1.063 299 HA3 GLY 38 HA1 GLY 38 -3.163 -5.536 -2.184 300 H ASN 39 HN ASN 39 -1.312 -7.426 -1.687 301 HA ASN 39 HA ASN 39 -2.182 -8.644 0.688 302 HB2 ASN 39 HB2 ASN 39 0.133 -9.174 -1.159 303 HB3 ASN 39 HB1 ASN 39 -0.083 -10.119 0.306 304 HD21 ASN 39 HD21 ASN 39 -0.389 -11.996 -0.894 305 HD22 ASN 39 HD22 ASN 39 -1.857 -12.308 -1.746 306 H MET 40 HN MET 40 0.692 -6.724 -0.033 307 HA MET 40 HA MET 40 1.983 -7.202 2.453 308 HB2 MET 40 HB2 MET 40 3.185 -6.463 0.434 309 HB3 MET 40 HB1 MET 40 2.350 -4.919 0.507 310 HG2 MET 40 HG2 MET 40 3.417 -4.420 2.630 311 HG3 MET 40 HG1 MET 40 4.223 -5.988 2.605 312 HE1 MET 40 HE1 MET 40 5.769 -3.268 3.033 313 HE2 MET 40 HE2 MET 40 7.152 -3.449 1.954 314 HE3 MET 40 HE3 MET 40 6.618 -4.814 2.935 315 H ALA 41 HN ALA 41 0.034 -4.495 1.224 316 HA ALA 41 HA ALA 41 0.191 -2.830 3.462 317 HB1 ALA 41 HB1 ALA 41 -0.691 -2.089 1.304 318 HB2 ALA 41 HB2 ALA 41 -1.837 -1.756 2.603 319 HB3 ALA 41 HB3 ALA 41 -2.103 -3.122 1.519 320 H SER 42 HN SER 42 -2.228 -5.308 2.661 321 HA SER 42 HA SER 42 -3.889 -4.935 4.868 322 HG SER 42 HG SER 42 -3.971 -6.131 1.873 323 HB2 SER 42 HB2 SER 42 -3.328 -7.534 3.422 324 HB3 SER 42 HB1 SER 42 -4.759 -7.155 4.380 325 H ASN 43 HN ASN 43 -1.133 -7.145 4.450 326 HA ASN 43 HA ASN 43 -1.285 -8.372 6.968 327 HB2 ASN 43 HB2 ASN 43 0.099 -9.214 5.078 328 HB3 ASN 43 HB1 ASN 43 1.213 -7.874 5.334 329 HD21 ASN 43 HD21 ASN 43 2.558 -7.884 7.134 330 HD22 ASN 43 HD22 ASN 43 2.807 -9.298 8.091 331 H LEU 44 HN LEU 44 0.607 -5.561 5.880 332 HA LEU 44 HA LEU 44 1.862 -5.093 8.363 333 HG LEU 44 HG LEU 44 2.745 -4.922 5.328 334 HB2 LEU 44 HB2 LEU 44 1.270 -3.161 6.120 335 HB3 LEU 44 HB1 LEU 44 2.343 -2.835 7.468 336 HD11 LEU 44 HD11 LEU 44 4.673 -3.569 4.714 337 HD12 LEU 44 HD12 LEU 44 4.267 -2.403 5.973 338 HD13 LEU 44 HD13 LEU 44 3.182 -2.634 4.601 339 HD21 LEU 44 HD21 LEU 44 4.471 -4.248 7.706 340 HD22 LEU 44 HD22 LEU 44 4.880 -5.377 6.414 341 HD23 LEU 44 HD23 LEU 44 3.529 -5.726 7.495 342 H LEU 45 HN LEU 45 -1.214 -4.028 7.039 343 HA LEU 45 HA LEU 45 -1.683 -2.150 9.147 344 HG LEU 45 HG LEU 45 -1.907 -1.752 6.119 345 HB2 LEU 45 HB2 LEU 45 -3.531 -3.335 7.081 346 HB3 LEU 45 HB1 LEU 45 -4.025 -2.119 8.241 347 HD11 LEU 45 HD11 LEU 45 -4.706 -0.647 6.323 348 HD12 LEU 45 HD12 LEU 45 -4.160 -1.885 5.190 349 HD13 LEU 45 HD13 LEU 45 -3.520 -0.245 5.081 350 HD21 LEU 45 HD21 LEU 45 -3.092 0.236 8.052 351 HD22 LEU 45 HD22 LEU 45 -1.909 0.583 6.791 352 HD23 LEU 45 HD23 LEU 45 -1.469 -0.446 8.154 353 H THR 46 HN THR 46 -1.966 -5.542 8.902 354 HA THR 46 HA THR 46 -3.801 -5.553 11.192 355 HB THR 46 HB THR 46 -3.745 -8.105 10.781 356 HG1 THR 46 HG1 THR 46 -2.886 -7.180 8.222 357 HG21 THR 46 HG21 THR 46 -5.525 -7.931 9.133 358 HG22 THR 46 HG22 THR 46 -5.025 -6.286 8.738 359 HG23 THR 46 HG23 THR 46 -5.677 -6.652 10.336 360 H THR 47 HN THR 47 -0.509 -5.553 10.674 361 HA THR 47 HA THR 47 -0.082 -6.980 13.212 362 HB THR 47 HB THR 47 2.081 -7.818 12.371 363 HG1 THR 47 HG1 THR 47 2.703 -6.639 10.676 364 HG21 THR 47 HG21 THR 47 0.109 -9.259 12.284 365 HG22 THR 47 HG22 THR 47 1.178 -9.570 10.916 366 HG23 THR 47 HG23 THR 47 -0.293 -8.623 10.689 367 H SER 48 HN SER 48 1.046 -4.378 11.069 368 HA SER 48 HA SER 48 3.218 -3.797 12.931 369 HG SER 48 HG SER 48 4.302 -4.700 11.123 370 HB2 SER 48 HB2 SER 48 2.609 -2.622 10.212 371 HB3 SER 48 HB1 SER 48 4.049 -2.288 11.174 372 H VAL 49 HN VAL 49 0.392 -2.190 11.527 373 HA VAL 49 HA VAL 49 0.757 0.087 13.286 374 HB VAL 49 HB VAL 49 -0.173 0.284 10.939 375 HG11 VAL 49 HG11 VAL 49 -2.557 -0.165 10.605 376 HG12 VAL 49 HG12 VAL 49 -2.625 -0.931 12.193 377 HG13 VAL 49 HG13 VAL 49 -1.635 -1.634 10.914 378 HG21 VAL 49 HG21 VAL 49 -1.885 1.369 13.166 379 HG22 VAL 49 HG22 VAL 49 -1.842 1.975 11.512 380 HG23 VAL 49 HG23 VAL 49 -0.409 2.097 12.531 381 HA PRO 50 HA PRO 50 -1.191 -1.405 16.979 382 HB2 PRO 50 HB2 PRO 50 -2.875 1.046 16.554 383 HB3 PRO 50 HB1 PRO 50 -2.158 0.426 18.048 384 HG2 PRO 50 HG2 PRO 50 -0.996 2.406 16.697 385 HG3 PRO 50 HG1 PRO 50 -0.036 1.148 17.494 386 HD2 PRO 50 HD2 PRO 50 -0.498 1.617 14.619 387 HD3 PRO 50 HD1 PRO 50 0.822 0.747 15.422 388 H GLN 51 HN GLN 51 -2.327 -3.199 16.582 389 HA GLN 51 HA GLN 51 -4.490 -3.288 14.721 390 HB2 GLN 51 HB2 GLN 51 -4.661 -5.651 15.336 391 HB3 GLN 51 HB1 GLN 51 -2.996 -5.194 15.010 392 HG2 GLN 51 HG2 GLN 51 -2.686 -4.959 17.492 393 HG3 GLN 51 HG1 GLN 51 -4.281 -5.688 17.680 394 HE21 GLN 51 HE21 GLN 51 -3.843 -7.406 15.312 395 HE22 GLN 51 HE22 GLN 51 -2.795 -8.667 15.849 396 H THR 52 HN THR 52 -4.268 -2.485 17.987 397 HA THR 52 HA THR 52 -6.902 -3.203 18.805 398 HB THR 52 HB THR 52 -5.109 -2.737 20.432 399 HG1 THR 52 HG1 THR 52 -6.864 -0.686 21.068 400 HG21 THR 52 HG21 THR 52 -3.976 -0.921 19.261 401 HG22 THR 52 HG22 THR 52 -4.416 -0.432 20.897 402 HG23 THR 52 HG23 THR 52 -5.367 0.131 19.522 403 H GLN 53 HN GLN 53 -5.726 -0.948 16.623 404 HA GLN 53 HA GLN 53 -8.333 0.397 16.529 405 HB2 GLN 53 HB2 GLN 53 -5.641 1.755 16.239 406 HB3 GLN 53 HB1 GLN 53 -7.192 2.520 15.931 407 HG2 GLN 53 HG2 GLN 53 -7.806 2.218 18.273 408 HG3 GLN 53 HG1 GLN 53 -6.253 1.445 18.578 409 HE21 GLN 53 HE21 GLN 53 -4.845 3.280 16.780 410 HE22 GLN 53 HE22 GLN 53 -4.720 4.779 17.640 411 H CYS 54 HN CYS 54 -7.002 -1.835 15.121 412 HA CYS 54 HA CYS 54 -5.771 -1.220 12.741 413 HG CYS 54 HG CYS 54 -5.094 -3.535 11.038 414 HB2 CYS 54 HB2 CYS 54 -5.925 -3.487 13.647 415 HB3 CYS 54 HB1 CYS 54 -7.650 -3.519 13.307 416 H GLU 55 HN GLU 55 -9.255 -1.838 13.185 417 HA GLU 55 HA GLU 55 -9.969 -1.454 10.508 418 HB2 GLU 55 HB2 GLU 55 -11.424 -2.507 12.233 419 HB3 GLU 55 HB1 GLU 55 -11.703 -0.913 12.924 420 HG2 GLU 55 HG2 GLU 55 -12.484 -0.292 10.535 421 HG3 GLU 55 HG1 GLU 55 -12.628 -2.034 10.319 422 H ALA 56 HN ALA 56 -9.906 0.811 13.217 423 HA ALA 56 HA ALA 56 -11.087 2.985 11.886 424 HB1 ALA 56 HB1 ALA 56 -10.211 4.342 13.719 425 HB2 ALA 56 HB2 ALA 56 -9.175 3.004 14.218 426 HB3 ALA 56 HB3 ALA 56 -10.928 2.847 14.318 427 H LEU 57 HN LEU 57 -7.678 2.141 12.425 428 HA LEU 57 HA LEU 57 -6.691 4.511 11.194 429 HG LEU 57 HG LEU 57 -6.128 3.084 13.871 430 HB2 LEU 57 HB2 LEU 57 -5.299 1.916 11.860 431 HB3 LEU 57 HB1 LEU 57 -4.491 3.387 11.352 432 HD11 LEU 57 HD11 LEU 57 -3.150 3.265 13.451 433 HD12 LEU 57 HD12 LEU 57 -4.045 1.845 13.993 434 HD13 LEU 57 HD13 LEU 57 -3.968 3.282 15.013 435 HD21 LEU 57 HD21 LEU 57 -4.449 5.382 12.870 436 HD22 LEU 57 HD22 LEU 57 -5.260 5.297 14.436 437 HD23 LEU 57 HD23 LEU 57 -6.211 5.347 12.953 438 H ALA 58 HN ALA 58 -7.193 1.195 10.062 439 HA ALA 58 HA ALA 58 -5.878 1.477 7.583 440 HB1 ALA 58 HB1 ALA 58 -8.193 -0.333 8.275 441 HB2 ALA 58 HB2 ALA 58 -6.484 -0.699 8.516 442 HB3 ALA 58 HB3 ALA 58 -7.122 -0.500 6.884 443 H GLN 59 HN GLN 59 -9.243 2.024 8.534 444 HA GLN 59 HA GLN 59 -10.039 2.773 5.888 445 HB2 GLN 59 HB2 GLN 59 -11.414 2.992 8.562 446 HB3 GLN 59 HB1 GLN 59 -12.145 3.546 7.060 447 HG2 GLN 59 HG2 GLN 59 -12.012 1.295 6.150 448 HG3 GLN 59 HG1 GLN 59 -11.238 0.732 7.629 449 HE21 GLN 59 HE21 GLN 59 -12.885 -0.772 7.965 450 HE22 GLN 59 HE22 GLN 59 -14.453 -0.303 8.523 451 H ALA 60 HN ALA 60 -8.889 4.464 8.729 452 HA ALA 60 HA ALA 60 -9.464 7.093 7.886 453 HB1 ALA 60 HB1 ALA 60 -8.769 6.537 10.177 454 HB2 ALA 60 HB2 ALA 60 -7.752 7.794 9.471 455 HB3 ALA 60 HB3 ALA 60 -7.157 6.138 9.583 456 H PHE 61 HN PHE 61 -6.558 5.085 7.522 457 HA PHE 61 HA PHE 61 -4.976 6.790 5.998 458 HD1 PHE 61 HD2 PHE 61 -2.222 5.792 6.376 459 HD2 PHE 61 HD1 PHE 61 -4.410 3.603 3.455 460 HE1 PHE 61 HE2 PHE 61 -0.268 5.834 4.883 461 HE2 PHE 61 HE1 PHE 61 -2.461 3.638 1.963 462 HZ PHE 61 HZ PHE 61 -0.388 4.756 2.672 463 HB2 PHE 61 HB2 PHE 61 -4.265 4.597 6.953 464 HB3 PHE 61 HB1 PHE 61 -5.213 3.783 5.717 465 H SER 62 HN SER 62 -7.421 4.460 4.959 466 HA SER 62 HA SER 62 -7.199 4.803 2.206 467 HG SER 62 HG SER 62 -8.012 2.638 4.139 468 HB2 SER 62 HB2 SER 62 -9.666 4.165 3.843 469 HB3 SER 62 HB1 SER 62 -9.515 3.937 2.100 470 H ASN 63 HN ASN 63 -9.525 6.381 4.414 471 HA ASN 63 HA ASN 63 -10.744 7.997 2.496 472 HB2 ASN 63 HB2 ASN 63 -10.546 8.129 5.475 473 HB3 ASN 63 HB1 ASN 63 -11.239 9.489 4.600 474 HD21 ASN 63 HD21 ASN 63 -11.642 6.190 5.555 475 HD22 ASN 63 HD22 ASN 63 -13.293 6.042 5.057 476 H SER 64 HN SER 64 -7.976 8.705 4.607 477 HA SER 64 HA SER 64 -7.737 11.402 3.734 478 HG SER 64 HG SER 64 -7.842 11.145 5.922 479 HB2 SER 64 HB2 SER 64 -5.735 9.573 5.074 480 HB3 SER 64 HB1 SER 64 -5.510 11.308 4.841 481 H LEU 65 HN LEU 65 -6.500 8.348 2.570 482 HA LEU 65 HA LEU 65 -4.590 9.392 0.757 483 HG LEU 65 HG LEU 65 -4.830 7.317 -1.480 484 HB2 LEU 65 HB2 LEU 65 -4.699 7.021 1.524 485 HB3 LEU 65 HB1 LEU 65 -6.150 6.810 0.563 486 HD11 LEU 65 HD11 LEU 65 -3.075 8.661 -0.445 487 HD12 LEU 65 HD12 LEU 65 -2.392 7.308 -1.346 488 HD13 LEU 65 HD13 LEU 65 -2.482 7.240 0.415 489 HD21 LEU 65 HD21 LEU 65 -3.820 5.051 0.236 490 HD22 LEU 65 HD22 LEU 65 -3.622 5.176 -1.513 491 HD23 LEU 65 HD23 LEU 65 -5.235 5.019 -0.816 492 H ILE 66 HN ILE 66 -8.022 8.621 0.514 493 HA ILE 66 HA ILE 66 -8.388 9.017 -2.230 494 HB ILE 66 HB ILE 66 -10.399 9.814 -0.118 495 HG12 ILE 66 HG12 ILE 66 -9.663 7.577 0.450 496 HG13 ILE 66 HG11 ILE 66 -11.258 7.481 -0.284 497 HG21 ILE 66 HG21 ILE 66 -12.031 9.153 -1.835 498 HG22 ILE 66 HG22 ILE 66 -10.704 8.832 -2.951 499 HG23 ILE 66 HG23 ILE 66 -10.987 10.473 -2.367 500 HD11 ILE 66 HD11 ILE 66 -10.242 6.784 -2.390 501 HD12 ILE 66 HD12 ILE 66 -9.830 5.697 -1.063 502 HD13 ILE 66 HD13 ILE 66 -8.647 6.870 -1.641 503 H ASN 67 HN ASN 67 -8.653 11.314 0.468 504 HA ASN 67 HA ASN 67 -9.307 13.559 -1.098 505 HB2 ASN 67 HB2 ASN 67 -9.661 13.442 1.350 506 HB3 ASN 67 HB1 ASN 67 -7.919 13.508 1.591 507 HD21 ASN 67 HD21 ASN 67 -6.858 15.448 1.421 508 HD22 ASN 67 HD22 ASN 67 -7.678 16.959 1.216 509 H ALA 68 HN ALA 68 -6.221 12.188 -0.116 510 HA ALA 68 HA ALA 68 -4.558 14.277 -0.992 511 HB1 ALA 68 HB1 ALA 68 -3.954 11.322 -0.918 512 HB2 ALA 68 HB2 ALA 68 -3.774 12.444 0.431 513 HB3 ALA 68 HB3 ALA 68 -2.771 12.627 -1.007 514 H VAL 69 HN VAL 69 -5.749 11.377 -2.653 515 HA VAL 69 HA VAL 69 -4.518 11.844 -5.141 516 HB VAL 69 HB VAL 69 -7.092 10.386 -4.501 517 HG11 VAL 69 HG11 VAL 69 -6.808 9.280 -6.667 518 HG12 VAL 69 HG12 VAL 69 -5.433 10.328 -7.017 519 HG13 VAL 69 HG13 VAL 69 -7.047 11.019 -6.847 520 HG21 VAL 69 HG21 VAL 69 -5.694 8.368 -4.714 521 HG22 VAL 69 HG22 VAL 69 -5.169 9.412 -3.393 522 HG23 VAL 69 HG23 VAL 69 -4.272 9.392 -4.913 523 H LYS 70 HN LYS 70 -7.722 12.748 -3.907 524 HA LYS 70 HA LYS 70 -8.699 13.985 -6.211 525 HB2 LYS 70 HB2 LYS 70 -9.261 14.612 -3.309 526 HB3 LYS 70 HB1 LYS 70 -10.179 15.268 -4.656 527 HG2 LYS 70 HG2 LYS 70 -10.807 12.974 -5.308 528 HG3 LYS 70 HG1 LYS 70 -9.946 12.365 -3.892 529 HD2 LYS 70 HD2 LYS 70 -12.315 12.524 -3.407 530 HD3 LYS 70 HD1 LYS 70 -11.425 13.706 -2.445 531 HE2 LYS 70 HE2 LYS 70 -13.379 14.782 -3.293 532 HE3 LYS 70 HE1 LYS 70 -11.989 15.421 -4.167 533 HZ1 LYS 70 HZ1 LYS 70 -13.631 15.015 -5.773 534 HZ2 LYS 70 HZ2 LYS 70 -14.026 13.500 -5.127 535 HZ3 LYS 70 HZ3 LYS 70 -12.551 13.712 -5.938 536 H THR 71 HN THR 71 -6.843 15.352 -3.512 537 HA THR 71 HA THR 71 -6.837 18.009 -4.487 538 HB THR 71 HB THR 71 -4.816 16.708 -2.649 539 HG1 THR 71 HG1 THR 71 -6.831 16.468 -1.711 540 HG21 THR 71 HG21 THR 71 -4.109 18.885 -3.537 541 HG22 THR 71 HG22 THR 71 -4.461 18.982 -1.811 542 HG23 THR 71 HG23 THR 71 -5.622 19.602 -2.986 543 H ARG 72 HN ARG 72 -4.783 15.243 -5.057 544 HA ARG 72 HA ARG 72 -2.562 16.450 -6.239 545 HE ARG 72 HE ARG 72 -1.080 16.463 -8.132 546 HB2 ARG 72 HB2 ARG 72 -2.637 14.089 -5.660 547 HB3 ARG 72 HB1 ARG 72 -3.894 13.808 -6.853 548 HG2 ARG 72 HG2 ARG 72 -1.885 13.002 -7.781 549 HG3 ARG 72 HG1 ARG 72 -2.237 14.522 -8.606 550 HD2 ARG 72 HD2 ARG 72 -0.462 14.431 -6.204 551 HD3 ARG 72 HD1 ARG 72 0.165 14.070 -7.809 552 HH11 ARG 72 HH11 ARG 72 1.289 15.315 -5.822 553 HH12 ARG 72 HH12 ARG 72 2.125 16.829 -5.732 554 HH21 ARG 72 HH21 ARG 72 0.031 18.482 -8.002 555 HH22 ARG 72 HH22 ARG 72 1.422 18.617 -6.955 556 H LEU 73 HN LEU 73 -5.597 15.358 -7.685 557 HA LEU 73 HA LEU 73 -4.812 16.391 -10.291 558 HG LEU 73 HG LEU 73 -5.930 15.238 -12.161 559 HB2 LEU 73 HB2 LEU 73 -6.057 14.193 -9.848 560 HB3 LEU 73 HB1 LEU 73 -7.473 15.183 -9.566 561 HD11 LEU 73 HD11 LEU 73 -8.395 13.642 -11.485 562 HD12 LEU 73 HD12 LEU 73 -6.781 12.979 -11.739 563 HD13 LEU 73 HD13 LEU 73 -7.631 13.763 -13.070 564 HD21 LEU 73 HD21 LEU 73 -8.718 16.138 -11.443 565 HD22 LEU 73 HD22 LEU 73 -8.010 16.180 -13.057 566 HD23 LEU 73 HD23 LEU 73 -7.342 17.189 -11.774 567 H GLU 74 HN GLU 74 -7.359 17.044 -7.875 568 HA GLU 74 HA GLU 74 -8.698 18.894 -9.601 569 HB2 GLU 74 HB2 GLU 74 -9.765 17.445 -7.811 570 HB3 GLU 74 HB1 GLU 74 -9.111 18.573 -6.630 571 HG2 GLU 74 HG2 GLU 74 -11.418 19.094 -7.089 572 HG3 GLU 74 HG1 GLU 74 -10.382 20.391 -7.686 573 H HIS 75 HN HIS 75 -8.325 20.989 -9.874 574 HA HIS 75 HA HIS 75 -6.886 22.441 -7.747 575 HD1 HIS 75 HD1 HIS 75 -4.131 22.778 -7.851 576 HD2 HIS 75 HD2 HIS 75 -4.967 20.660 -11.334 577 HE1 HIS 75 HE1 HIS 75 -2.241 21.134 -8.119 578 HE2 HIS 75 HE2 HIS 75 -2.856 19.757 -10.145 579 HB2 HIS 75 HB2 HIS 75 -6.589 22.762 -10.739 580 HB3 HIS 75 HB1 HIS 75 -5.923 23.884 -9.557 581 H HIS 76 HN HIS 76 -9.805 22.105 -9.015 582 HA HIS 76 HA HIS 76 -10.533 24.821 -9.545 583 HD1 HIS 76 HD1 HIS 76 -11.463 21.046 -11.027 584 HD2 HIS 76 HD2 HIS 76 -12.556 24.966 -11.901 585 HE1 HIS 76 HE1 HIS 76 -11.594 21.173 -13.532 586 HE2 HIS 76 HE2 HIS 76 -12.079 23.589 -14.045 587 HB2 HIS 76 HB2 HIS 76 -12.169 22.343 -8.990 588 HB3 HIS 76 HB1 HIS 76 -12.905 23.921 -9.238 589 H HIS 77 HN HIS 77 -10.188 26.244 -7.975 590 HA HIS 77 HA HIS 77 -10.730 25.516 -5.206 591 HD1 HIS 77 HD1 HIS 77 -9.414 29.921 -4.841 592 HD2 HIS 77 HD2 HIS 77 -9.676 26.305 -2.813 593 HE1 HIS 77 HE1 HIS 77 -9.510 30.520 -2.396 594 HE2 HIS 77 HE2 HIS 77 -9.431 28.304 -1.193 595 HB2 HIS 77 HB2 HIS 77 -8.609 26.646 -5.703 596 HB3 HIS 77 HB1 HIS 77 -9.484 28.010 -6.389 597 H HIS 78 HN HIS 78 -12.971 25.416 -5.315 598 HA HIS 78 HA HIS 78 -14.307 27.742 -4.473 599 HD1 HIS 78 HD1 HIS 78 -17.734 27.898 -6.839 600 HD2 HIS 78 HD2 HIS 78 -14.643 30.413 -5.645 601 HE1 HIS 78 HE1 HIS 78 -18.805 30.123 -6.382 602 HE2 HIS 78 HE2 HIS 78 -16.891 31.677 -5.874 603 HB2 HIS 78 HB2 HIS 78 -14.123 27.920 -7.131 604 HB3 HIS 78 HB1 HIS 78 -15.494 26.817 -7.063 605 H HIS 79 HN HIS 79 -15.511 26.796 -2.953 606 HA HIS 79 HA HIS 79 -16.090 23.980 -3.173 607 HD1 HIS 79 HD1 HIS 79 -18.615 26.065 -0.134 608 HD2 HIS 79 HD2 HIS 79 -14.694 27.367 -0.613 609 HE1 HIS 79 HE1 HIS 79 -18.528 28.362 0.886 610 HE2 HIS 79 HE2 HIS 79 -16.095 29.027 0.784 611 HB2 HIS 79 HB2 HIS 79 -16.952 24.215 -0.830 612 HB3 HIS 79 HB1 HIS 79 -15.271 24.668 -1.056 613 H HIS 80 HN HIS 80 -17.565 25.877 -4.875 614 HA HIS 80 HA HIS 80 -19.982 24.410 -4.807 615 HD1 HIS 80 HD1 HIS 80 -22.762 25.079 -2.895 616 HD2 HIS 80 HD2 HIS 80 -22.281 27.167 -6.466 617 HE1 HIS 80 HE1 HIS 80 -25.014 25.052 -4.012 618 HE2 HIS 80 HE2 HIS 80 -24.675 26.212 -6.224 619 HB2 HIS 80 HB2 HIS 80 -20.502 26.169 -3.081 620 HB3 HIS 80 HB1 HIS 80 -20.300 27.385 -4.340 621 HA MET 1 HA MET 1 10.274 -10.237 -23.225 622 H1 MET 1 HT1 MET 1 11.434 -9.745 -21.210 623 H2 MET 1 HT2 MET 1 12.562 -10.036 -22.439 624 H3 MET 1 HT3 MET 1 12.264 -11.220 -21.263 625 HB2 MET 1 HB2 MET 1 12.106 -12.615 -23.218 626 HB3 MET 1 HB1 MET 1 10.536 -12.721 -24.001 627 HG2 MET 1 HG2 MET 1 12.312 -12.175 -25.578 628 HG3 MET 1 HG1 MET 1 11.107 -10.894 -25.473 629 HE1 MET 1 HE1 MET 1 12.764 -9.230 -26.708 630 HE2 MET 1 HE2 MET 1 13.976 -10.506 -26.815 631 HE3 MET 1 HE3 MET 1 14.418 -8.922 -26.178 632 H ALA 2 HN ALA 2 8.630 -12.202 -23.444 633 HA ALA 2 HA ALA 2 7.951 -13.170 -20.754 634 HB1 ALA 2 HB1 ALA 2 6.620 -11.162 -21.153 635 HB2 ALA 2 HB2 ALA 2 5.599 -12.600 -21.123 636 HB3 ALA 2 HB3 ALA 2 6.021 -11.848 -22.662 637 H GLN 3 HN GLN 3 7.689 -15.287 -20.790 638 HA GLN 3 HA GLN 3 7.286 -16.628 -23.357 639 HB2 GLN 3 HB2 GLN 3 7.986 -17.728 -20.630 640 HB3 GLN 3 HB1 GLN 3 7.830 -18.694 -22.089 641 HG2 GLN 3 HG2 GLN 3 9.691 -17.456 -23.097 642 HG3 GLN 3 HG1 GLN 3 9.853 -16.516 -21.611 643 HE21 GLN 3 HE21 GLN 3 11.956 -17.254 -21.275 644 HE22 GLN 3 HE22 GLN 3 12.288 -18.868 -20.735 645 H HIS 4 HN HIS 4 6.167 -17.386 -20.085 646 HA HIS 4 HA HIS 4 3.442 -17.666 -21.137 647 HD1 HIS 4 HD1 HIS 4 5.988 -21.159 -21.209 648 HD2 HIS 4 HD2 HIS 4 2.182 -19.868 -22.262 649 HE1 HIS 4 HE1 HIS 4 5.433 -22.359 -23.341 650 HE2 HIS 4 HE2 HIS 4 3.256 -21.343 -24.092 651 HB2 HIS 4 HB2 HIS 4 5.003 -19.650 -19.494 652 HB3 HIS 4 HB1 HIS 4 3.243 -19.630 -19.471 653 H SER 5 HN SER 5 2.264 -18.454 -18.707 654 HA SER 5 HA SER 5 1.773 -15.918 -17.623 655 HG SER 5 HG SER 5 1.275 -19.222 -15.751 656 HB2 SER 5 HB2 SER 5 0.477 -17.259 -15.894 657 HB3 SER 5 HB1 SER 5 0.032 -17.533 -17.579 658 H LYS 6 HN LYS 6 2.830 -14.782 -16.170 659 HA LYS 6 HA LYS 6 4.658 -16.137 -14.306 660 HB2 LYS 6 HB2 LYS 6 4.463 -13.292 -15.280 661 HB3 LYS 6 HB1 LYS 6 5.385 -13.708 -13.843 662 HG2 LYS 6 HG2 LYS 6 5.871 -14.881 -16.575 663 HG3 LYS 6 HG1 LYS 6 6.756 -13.514 -15.893 664 HD2 LYS 6 HD2 LYS 6 7.352 -15.021 -13.956 665 HD3 LYS 6 HD1 LYS 6 6.691 -16.356 -14.899 666 HE2 LYS 6 HE2 LYS 6 8.922 -14.543 -15.809 667 HE3 LYS 6 HE1 LYS 6 9.151 -16.139 -15.100 668 HZ1 LYS 6 HZ1 LYS 6 9.255 -16.222 -17.507 669 HZ2 LYS 6 HZ2 LYS 6 7.705 -15.553 -17.627 670 HZ3 LYS 6 HZ3 LYS 6 7.909 -17.093 -16.945 671 H TYR 7 HN TYR 7 1.594 -15.617 -14.322 672 HA TYR 7 HA TYR 7 1.194 -14.062 -11.916 673 HD1 TYR 7 HD1 TYR 7 0.364 -14.063 -15.547 674 HD2 TYR 7 HD2 TYR 7 -1.705 -12.519 -12.165 675 HE1 TYR 7 HE1 TYR 7 0.077 -11.914 -16.707 676 HE2 TYR 7 HE2 TYR 7 -1.995 -10.368 -13.314 677 HH TYR 7 HH TYR 7 -0.970 -9.088 -15.103 678 HB2 TYR 7 HB2 TYR 7 -0.659 -15.555 -13.768 679 HB3 TYR 7 HB1 TYR 7 -1.228 -14.820 -12.274 680 H SER 8 HN SER 8 2.857 -16.180 -11.368 681 HA SER 8 HA SER 8 1.303 -18.306 -10.178 682 HG SER 8 HG SER 8 4.338 -19.376 -11.761 683 HB2 SER 8 HB2 SER 8 4.276 -17.817 -10.066 684 HB3 SER 8 HB1 SER 8 3.438 -19.313 -9.653 685 H ASP 9 HN ASP 9 0.924 -18.586 -8.024 686 HA ASP 9 HA ASP 9 1.100 -16.456 -6.216 687 HB2 ASP 9 HB2 ASP 9 -0.385 -18.329 -5.775 688 HB3 ASP 9 HB1 ASP 9 0.979 -19.438 -5.694 689 H ALA 10 HN ALA 10 3.355 -18.897 -7.184 690 HA ALA 10 HA ALA 10 5.269 -18.478 -5.113 691 HB1 ALA 10 HB1 ALA 10 5.639 -19.626 -7.880 692 HB2 ALA 10 HB2 ALA 10 5.218 -20.538 -6.431 693 HB3 ALA 10 HB3 ALA 10 6.789 -19.744 -6.547 694 H GLN 11 HN GLN 11 4.647 -17.079 -8.289 695 HA GLN 11 HA GLN 11 7.108 -15.571 -8.326 696 HB2 GLN 11 HB2 GLN 11 4.601 -15.463 -9.998 697 HB3 GLN 11 HB1 GLN 11 5.946 -14.355 -10.236 698 HG2 GLN 11 HG2 GLN 11 6.162 -17.352 -10.380 699 HG3 GLN 11 HG1 GLN 11 5.954 -16.291 -11.774 700 HE21 GLN 11 HE21 GLN 11 7.631 -14.201 -10.649 701 HE22 GLN 11 HE22 GLN 11 9.260 -14.752 -10.802 702 H LEU 12 HN LEU 12 3.715 -14.912 -7.588 703 HA LEU 12 HA LEU 12 3.926 -12.178 -7.049 704 HG LEU 12 HG LEU 12 2.187 -12.059 -4.526 705 HB2 LEU 12 HB2 LEU 12 1.780 -13.339 -7.226 706 HB3 LEU 12 HB1 LEU 12 2.134 -14.243 -5.766 707 HD11 LEU 12 HD11 LEU 12 1.086 -10.136 -5.566 708 HD12 LEU 12 HD12 LEU 12 1.023 -11.009 -7.099 709 HD13 LEU 12 HD13 LEU 12 2.581 -10.569 -6.399 710 HD21 LEU 12 HD21 LEU 12 -0.390 -12.811 -5.893 711 HD22 LEU 12 HD22 LEU 12 -0.247 -11.849 -4.421 712 HD23 LEU 12 HD23 LEU 12 0.264 -13.538 -4.425 713 H SER 13 HN SER 13 4.044 -14.921 -4.771 714 HA SER 13 HA SER 13 4.563 -13.446 -2.474 715 HG SER 13 HG SER 13 3.322 -16.377 -3.250 716 HB2 SER 13 HB2 SER 13 5.471 -16.264 -3.102 717 HB3 SER 13 HB1 SER 13 5.352 -15.556 -1.493 718 H ALA 14 HN ALA 14 6.791 -14.697 -4.914 719 HA ALA 14 HA ALA 14 9.210 -14.199 -3.624 720 HB1 ALA 14 HB1 ALA 14 9.042 -15.434 -5.728 721 HB2 ALA 14 HB2 ALA 14 10.207 -14.114 -5.851 722 HB3 ALA 14 HB3 ALA 14 8.604 -13.946 -6.568 723 H ILE 15 HN ILE 15 7.216 -12.052 -5.627 724 HA ILE 15 HA ILE 15 9.007 -9.848 -5.475 725 HB ILE 15 HB ILE 15 6.070 -9.934 -6.178 726 HG12 ILE 15 HG12 ILE 15 8.547 -9.815 -7.918 727 HG13 ILE 15 HG11 ILE 15 7.519 -11.226 -7.686 728 HG21 ILE 15 HG21 ILE 15 6.436 -7.722 -7.202 729 HG22 ILE 15 HG22 ILE 15 8.065 -7.696 -6.520 730 HG23 ILE 15 HG23 ILE 15 6.661 -7.703 -5.452 731 HD11 ILE 15 HD11 ILE 15 5.662 -10.059 -8.737 732 HD12 ILE 15 HD12 ILE 15 7.064 -10.124 -9.805 733 HD13 ILE 15 HD13 ILE 15 6.673 -8.629 -8.953 734 H VAL 16 HN VAL 16 5.981 -10.646 -3.771 735 HA VAL 16 HA VAL 16 5.848 -8.261 -2.274 736 HB VAL 16 HB VAL 16 4.766 -10.849 -1.197 737 HG11 VAL 16 HG11 VAL 16 4.530 -8.735 0.084 738 HG12 VAL 16 HG12 VAL 16 2.988 -9.464 -0.367 739 HG13 VAL 16 HG13 VAL 16 3.596 -8.072 -1.264 740 HG21 VAL 16 HG21 VAL 16 4.236 -10.857 -3.583 741 HG22 VAL 16 HG22 VAL 16 3.529 -9.248 -3.431 742 HG23 VAL 16 HG23 VAL 16 2.791 -10.618 -2.600 743 H ASN 17 HN ASN 17 7.242 -11.437 -1.544 744 HA ASN 17 HA ASN 17 7.873 -10.912 1.160 745 HB2 ASN 17 HB2 ASN 17 7.783 -13.187 0.089 746 HB3 ASN 17 HB1 ASN 17 9.323 -12.823 -0.679 747 HD21 ASN 17 HD21 ASN 17 10.515 -14.377 0.337 748 HD22 ASN 17 HD22 ASN 17 10.828 -14.373 2.042 749 H ASP 18 HN ASP 18 9.679 -10.418 -1.850 750 HA ASP 18 HA ASP 18 12.149 -9.864 -0.618 751 HB2 ASP 18 HB2 ASP 18 11.843 -10.447 -3.049 752 HB3 ASP 18 HB1 ASP 18 11.191 -8.829 -3.294 753 H MET 19 HN MET 19 9.510 -7.816 -1.814 754 HA MET 19 HA MET 19 10.590 -5.325 -1.220 755 HB2 MET 19 HB2 MET 19 8.468 -5.704 -2.463 756 HB3 MET 19 HB1 MET 19 7.686 -6.129 -0.945 757 HG2 MET 19 HG2 MET 19 7.164 -3.852 -1.556 758 HG3 MET 19 HG1 MET 19 8.139 -3.884 -0.088 759 HE1 MET 19 HE1 MET 19 8.098 -3.145 -3.944 760 HE2 MET 19 HE2 MET 19 9.324 -4.406 -3.808 761 HE3 MET 19 HE3 MET 19 9.792 -2.762 -4.250 762 H ILE 20 HN ILE 20 8.774 -7.533 0.880 763 HA ILE 20 HA ILE 20 8.750 -5.898 3.176 764 HB ILE 20 HB ILE 20 8.728 -8.917 2.992 765 HG12 ILE 20 HG12 ILE 20 6.446 -6.946 3.272 766 HG13 ILE 20 HG11 ILE 20 6.883 -7.778 1.784 767 HG21 ILE 20 HG21 ILE 20 9.372 -8.162 5.219 768 HG22 ILE 20 HG22 ILE 20 7.754 -8.864 5.237 769 HG23 ILE 20 HG23 ILE 20 7.955 -7.113 5.281 770 HD11 ILE 20 HD11 ILE 20 5.937 -9.090 4.322 771 HD12 ILE 20 HD12 ILE 20 6.371 -9.918 2.826 772 HD13 ILE 20 HD13 ILE 20 4.982 -8.833 2.862 773 H ALA 21 HN ALA 21 11.010 -8.420 2.105 774 HA ALA 21 HA ALA 21 12.750 -8.290 4.306 775 HB1 ALA 21 HB1 ALA 21 12.759 -10.137 2.703 776 HB2 ALA 21 HB2 ALA 21 14.365 -9.434 2.888 777 HB3 ALA 21 HB3 ALA 21 13.398 -9.059 1.462 778 H VAL 22 HN VAL 22 12.674 -6.488 1.277 779 HA VAL 22 HA VAL 22 15.113 -5.089 1.593 780 HB VAL 22 HB VAL 22 12.622 -4.156 0.140 781 HG11 VAL 22 HG11 VAL 22 14.242 -2.382 0.468 782 HG12 VAL 22 HG12 VAL 22 14.184 -2.855 -1.231 783 HG13 VAL 22 HG13 VAL 22 15.516 -3.395 -0.210 784 HG21 VAL 22 HG21 VAL 22 13.174 -6.321 -0.727 785 HG22 VAL 22 HG22 VAL 22 14.891 -5.902 -0.808 786 HG23 VAL 22 HG23 VAL 22 13.740 -5.113 -1.886 787 H LEU 23 HN LEU 23 11.774 -4.353 2.528 788 HA LEU 23 HA LEU 23 12.235 -1.827 3.674 789 HG LEU 23 HG LEU 23 10.307 -2.281 6.162 790 HB2 LEU 23 HB2 LEU 23 10.001 -2.629 3.181 791 HB3 LEU 23 HB1 LEU 23 10.182 -3.944 4.325 792 HD11 LEU 23 HD11 LEU 23 9.607 -0.308 3.996 793 HD12 LEU 23 HD12 LEU 23 11.127 -0.377 4.891 794 HD13 LEU 23 HD13 LEU 23 9.627 0.019 5.730 795 HD21 LEU 23 HD21 LEU 23 7.929 -1.703 6.134 796 HD22 LEU 23 HD22 LEU 23 8.203 -3.370 5.627 797 HD23 LEU 23 HD23 LEU 23 7.849 -2.130 4.424 798 H GLU 24 HN GLU 24 12.555 -5.082 4.936 799 HA GLU 24 HA GLU 24 13.086 -4.275 7.633 800 HB2 GLU 24 HB2 GLU 24 12.230 -6.557 6.623 801 HB3 GLU 24 HB1 GLU 24 13.942 -6.911 6.491 802 HG2 GLU 24 HG2 GLU 24 12.722 -6.046 9.086 803 HG3 GLU 24 HG1 GLU 24 12.684 -7.725 8.558 804 H LYS 25 HN LYS 25 14.951 -4.911 4.759 805 HA LYS 25 HA LYS 25 17.541 -5.023 5.841 806 HB2 LYS 25 HB2 LYS 25 16.981 -5.638 3.522 807 HB3 LYS 25 HB1 LYS 25 16.635 -3.955 3.156 808 HG2 LYS 25 HG2 LYS 25 18.771 -4.304 2.306 809 HG3 LYS 25 HG1 LYS 25 19.053 -3.497 3.851 810 HD2 LYS 25 HD2 LYS 25 20.605 -5.301 3.689 811 HD3 LYS 25 HD1 LYS 25 19.377 -5.760 4.871 812 HE2 LYS 25 HE2 LYS 25 19.870 -7.632 3.410 813 HE3 LYS 25 HE1 LYS 25 18.223 -7.063 3.141 814 HZ1 LYS 25 HZ1 LYS 25 19.304 -7.510 1.049 815 HZ2 LYS 25 HZ2 LYS 25 20.579 -6.460 1.434 816 HZ3 LYS 25 HZ3 LYS 25 19.020 -5.844 1.188 817 H HIS 26 HN HIS 26 15.681 -2.289 4.558 818 HA HIS 26 HA HIS 26 17.711 -0.373 5.280 819 HD1 HIS 26 HD1 HIS 26 17.413 1.697 2.428 820 HD2 HIS 26 HD2 HIS 26 15.498 2.695 5.986 821 HE1 HIS 26 HE1 HIS 26 17.823 4.160 2.757 822 HE2 HIS 26 HE2 HIS 26 16.539 4.772 4.837 823 HB2 HIS 26 HB2 HIS 26 16.069 -0.179 3.321 824 HB3 HIS 26 HB1 HIS 26 14.846 0.220 4.520 825 H LYS 27 HN LYS 27 14.918 -1.798 6.647 826 HA LYS 27 HA LYS 27 13.816 -1.654 8.590 827 HB2 LYS 27 HB2 LYS 27 16.065 -2.161 9.475 828 HB3 LYS 27 HB1 LYS 27 16.370 -0.437 9.642 829 HG2 LYS 27 HG2 LYS 27 14.890 -0.210 11.399 830 HG3 LYS 27 HG1 LYS 27 13.983 -1.656 10.956 831 HD2 LYS 27 HD2 LYS 27 16.781 -1.615 12.084 832 HD3 LYS 27 HD1 LYS 27 15.315 -1.998 12.989 833 HE2 LYS 27 HE2 LYS 27 16.437 -3.534 10.644 834 HE3 LYS 27 HE1 LYS 27 16.442 -4.040 12.333 835 HZ1 LYS 27 HZ1 LYS 27 14.673 -5.073 10.971 836 HZ2 LYS 27 HZ2 LYS 27 13.972 -3.544 10.754 837 HZ3 LYS 27 HZ3 LYS 27 14.071 -4.215 12.308 838 H ALA 28 HN ALA 28 12.378 -0.172 7.664 839 HA ALA 28 HA ALA 28 12.631 2.577 8.646 840 HB1 ALA 28 HB1 ALA 28 10.738 3.079 7.173 841 HB2 ALA 28 HB2 ALA 28 10.644 1.377 6.718 842 HB3 ALA 28 HB3 ALA 28 12.065 2.329 6.285 843 HA PRO 29 HA PRO 29 9.807 1.572 11.949 844 HB2 PRO 29 HB2 PRO 29 9.158 4.124 12.643 845 HB3 PRO 29 HB1 PRO 29 10.674 3.349 13.117 846 HG2 PRO 29 HG2 PRO 29 10.143 5.272 10.888 847 HG3 PRO 29 HG1 PRO 29 11.515 5.205 12.009 848 HD2 PRO 29 HD2 PRO 29 11.655 4.256 9.477 849 HD3 PRO 29 HD1 PRO 29 12.573 3.542 10.816 850 H VAL 30 HN VAL 30 7.526 1.859 12.442 851 HA VAL 30 HA VAL 30 5.877 1.635 10.204 852 HB VAL 30 HB VAL 30 5.338 0.726 12.455 853 HG11 VAL 30 HG11 VAL 30 4.617 3.575 13.124 854 HG12 VAL 30 HG12 VAL 30 5.935 2.637 13.825 855 HG13 VAL 30 HG13 VAL 30 4.261 2.163 14.120 856 HG21 VAL 30 HG21 VAL 30 2.913 1.152 12.347 857 HG22 VAL 30 HG22 VAL 30 3.610 0.808 10.765 858 HG23 VAL 30 HG23 VAL 30 3.212 2.467 11.208 859 H ASP 31 HN ASP 31 6.873 4.431 12.010 860 HA ASP 31 HA ASP 31 4.971 6.317 11.206 861 HB2 ASP 31 HB2 ASP 31 7.927 6.904 11.457 862 HB3 ASP 31 HB1 ASP 31 6.578 7.982 11.791 863 H LEU 32 HN LEU 32 8.217 5.931 9.846 864 HA LEU 32 HA LEU 32 7.630 7.513 7.564 865 HG LEU 32 HG LEU 32 9.803 7.501 9.782 866 HB2 LEU 32 HB2 LEU 32 9.970 5.682 8.103 867 HB3 LEU 32 HB1 LEU 32 9.886 6.884 6.827 868 HD11 LEU 32 HD11 LEU 32 11.984 6.670 9.135 869 HD12 LEU 32 HD12 LEU 32 12.051 8.406 9.435 870 HD13 LEU 32 HD13 LEU 32 12.034 7.797 7.780 871 HD21 LEU 32 HD21 LEU 32 8.599 9.137 8.439 872 HD22 LEU 32 HD22 LEU 32 9.998 9.309 7.378 873 HD23 LEU 32 HD23 LEU 32 10.100 9.819 9.064 874 H SER 33 HN SER 33 7.657 4.059 8.195 875 HA SER 33 HA SER 33 7.602 3.194 5.510 876 HG SER 33 HG SER 33 6.098 1.101 5.549 877 HB2 SER 33 HB2 SER 33 8.082 1.697 7.426 878 HB3 SER 33 HB1 SER 33 6.399 1.836 7.934 879 H LEU 34 HN LEU 34 5.078 4.223 7.742 880 HA LEU 34 HA LEU 34 2.882 3.472 6.117 881 HG LEU 34 HG LEU 34 0.767 5.320 6.842 882 HB2 LEU 34 HB2 LEU 34 2.893 4.097 8.602 883 HB3 LEU 34 HB1 LEU 34 2.898 5.765 8.066 884 HD11 LEU 34 HD11 LEU 34 1.008 2.908 6.584 885 HD12 LEU 34 HD12 LEU 34 -0.496 3.306 7.412 886 HD13 LEU 34 HD13 LEU 34 0.884 2.699 8.331 887 HD21 LEU 34 HD21 LEU 34 0.777 6.371 9.045 888 HD22 LEU 34 HD22 LEU 34 0.736 4.781 9.810 889 HD23 LEU 34 HD23 LEU 34 -0.633 5.330 8.843 890 H ILE 35 HN ILE 35 4.706 6.478 6.517 891 HA ILE 35 HA ILE 35 3.246 8.036 4.679 892 HB ILE 35 HB ILE 35 6.195 8.271 5.314 893 HG12 ILE 35 HG12 ILE 35 3.838 9.605 6.673 894 HG13 ILE 35 HG11 ILE 35 4.747 8.252 7.342 895 HG21 ILE 35 HG21 ILE 35 5.880 10.641 4.724 896 HG22 ILE 35 HG22 ILE 35 4.211 10.294 4.270 897 HG23 ILE 35 HG23 ILE 35 5.538 9.568 3.366 898 HD11 ILE 35 HD11 ILE 35 5.813 11.002 6.749 899 HD12 ILE 35 HD12 ILE 35 6.767 9.648 7.354 900 HD13 ILE 35 HD13 ILE 35 5.471 10.324 8.340 901 H ALA 36 HN ALA 36 6.107 5.976 4.246 902 HA ALA 36 HA ALA 36 6.618 6.459 1.560 903 HB1 ALA 36 HB1 ALA 36 7.719 4.248 1.560 904 HB2 ALA 36 HB2 ALA 36 6.997 3.914 3.135 905 HB3 ALA 36 HB3 ALA 36 8.161 5.228 2.958 906 H LEU 37 HN LEU 37 4.606 3.899 3.007 907 HA LEU 37 HA LEU 37 3.668 2.831 0.583 908 HG LEU 37 HG LEU 37 4.500 1.633 3.334 909 HB2 LEU 37 HB2 LEU 37 2.368 2.857 3.308 910 HB3 LEU 37 HB1 LEU 37 1.825 1.885 1.955 911 HD11 LEU 37 HD11 LEU 37 2.642 0.835 4.706 912 HD12 LEU 37 HD12 LEU 37 3.636 -0.504 4.133 913 HD13 LEU 37 HD13 LEU 37 2.082 -0.169 3.368 914 HD21 LEU 37 HD21 LEU 37 4.621 1.091 0.948 915 HD22 LEU 37 HD22 LEU 37 3.267 -0.022 1.131 916 HD23 LEU 37 HD23 LEU 37 4.797 -0.356 1.943 917 H GLY 38 HN GLY 38 2.473 5.444 2.629 918 HA2 GLY 38 HA2 GLY 38 0.038 5.936 1.348 919 HA3 GLY 38 HA1 GLY 38 0.993 7.135 2.207 920 H ASN 39 HN ASN 39 3.258 7.299 0.689 921 HA ASN 39 HA ASN 39 2.356 8.873 -1.512 922 HB2 ASN 39 HB2 ASN 39 5.080 8.022 -0.550 923 HB3 ASN 39 HB1 ASN 39 4.890 8.863 -2.084 924 HD21 ASN 39 HD21 ASN 39 2.887 9.462 0.724 925 HD22 ASN 39 HD22 ASN 39 3.477 11.054 1.036 926 H MET 40 HN MET 40 3.902 5.697 -1.242 927 HA MET 40 HA MET 40 4.263 5.201 -3.972 928 HB2 MET 40 HB2 MET 40 5.259 3.834 -2.181 929 HB3 MET 40 HB1 MET 40 3.668 3.212 -1.772 930 HG2 MET 40 HG2 MET 40 3.507 2.197 -3.998 931 HG3 MET 40 HG1 MET 40 5.120 2.796 -4.376 932 HE1 MET 40 HE1 MET 40 4.282 -0.279 -4.655 933 HE2 MET 40 HE2 MET 40 5.718 -1.054 -3.980 934 HE3 MET 40 HE3 MET 40 5.884 0.347 -5.038 935 H ALA 41 HN ALA 41 1.519 4.400 -1.852 936 HA ALA 41 HA ALA 41 -0.044 3.095 -3.785 937 HB1 ALA 41 HB1 ALA 41 -0.978 4.642 -1.366 938 HB2 ALA 41 HB2 ALA 41 -0.480 2.951 -1.376 939 HB3 ALA 41 HB3 ALA 41 -1.918 3.451 -2.266 940 H SER 42 HN SER 42 0.025 6.493 -2.769 941 HA SER 42 HA SER 42 -2.127 7.356 -4.358 942 HG SER 42 HG SER 42 -2.417 9.834 -3.825 943 HB2 SER 42 HB2 SER 42 -1.154 8.636 -2.449 944 HB3 SER 42 HB1 SER 42 0.257 8.987 -3.446 945 H ASN 43 HN ASN 43 1.388 7.507 -4.932 946 HA ASN 43 HA ASN 43 1.348 8.742 -7.416 947 HB2 ASN 43 HB2 ASN 43 3.286 6.776 -6.211 948 HB3 ASN 43 HB1 ASN 43 3.543 7.479 -7.804 949 HD21 ASN 43 HD21 ASN 43 5.410 8.526 -7.148 950 HD22 ASN 43 HD22 ASN 43 5.379 9.909 -6.118 951 H LEU 44 HN LEU 44 1.096 5.292 -6.653 952 HA LEU 44 HA LEU 44 1.053 4.426 -9.349 953 HG LEU 44 HG LEU 44 2.388 3.288 -6.787 954 HB2 LEU 44 HB2 LEU 44 -0.049 3.135 -6.857 955 HB3 LEU 44 HB1 LEU 44 0.032 2.345 -8.419 956 HD11 LEU 44 HD11 LEU 44 1.395 0.520 -7.444 957 HD12 LEU 44 HD12 LEU 44 1.310 1.307 -5.868 958 HD13 LEU 44 HD13 LEU 44 2.877 0.905 -6.569 959 HD21 LEU 44 HD21 LEU 44 3.749 2.190 -8.495 960 HD22 LEU 44 HD22 LEU 44 2.807 3.514 -9.177 961 HD23 LEU 44 HD23 LEU 44 2.297 1.848 -9.437 962 H LEU 45 HN LEU 45 -1.577 5.012 -7.013 963 HA LEU 45 HA LEU 45 -3.629 4.272 -8.835 964 HG LEU 45 HG LEU 45 -3.031 3.482 -5.981 965 HB2 LEU 45 HB2 LEU 45 -3.731 5.856 -6.269 966 HB3 LEU 45 HB1 LEU 45 -5.147 5.299 -7.143 967 HD11 LEU 45 HD11 LEU 45 -4.230 4.633 -4.214 968 HD12 LEU 45 HD12 LEU 45 -4.714 2.939 -4.289 969 HD13 LEU 45 HD13 LEU 45 -5.770 4.189 -4.945 970 HD21 LEU 45 HD21 LEU 45 -4.197 2.543 -7.914 971 HD22 LEU 45 HD22 LEU 45 -5.749 2.889 -7.151 972 HD23 LEU 45 HD23 LEU 45 -4.651 1.713 -6.426 973 H THR 46 HN THR 46 -1.724 7.045 -8.796 974 HA THR 46 HA THR 46 -3.875 8.623 -10.009 975 HB THR 46 HB THR 46 -2.122 10.489 -9.947 976 HG1 THR 46 HG1 THR 46 -0.948 8.862 -7.940 977 HG21 THR 46 HG21 THR 46 -3.143 9.320 -7.354 978 HG22 THR 46 HG22 THR 46 -4.038 10.391 -8.431 979 HG23 THR 46 HG23 THR 46 -2.604 10.984 -7.596 980 H THR 47 HN THR 47 -1.288 6.646 -11.028 981 HA THR 47 HA THR 47 -1.406 7.944 -13.655 982 HB THR 47 HB THR 47 0.617 8.765 -12.458 983 HG1 THR 47 HG1 THR 47 0.832 7.267 -14.861 984 HG21 THR 47 HG21 THR 47 1.188 6.752 -11.206 985 HG22 THR 47 HG22 THR 47 2.540 7.249 -12.222 986 HG23 THR 47 HG23 THR 47 1.523 5.892 -12.708 987 H SER 48 HN SER 48 -1.169 4.964 -11.882 988 HA SER 48 HA SER 48 -0.395 3.495 -14.288 989 HG SER 48 HG SER 48 -1.275 3.272 -10.839 990 HB2 SER 48 HB2 SER 48 -0.324 1.510 -12.851 991 HB3 SER 48 HB1 SER 48 0.612 2.824 -12.139 992 H VAL 49 HN VAL 49 -3.152 4.736 -13.113 993 HA VAL 49 HA VAL 49 -4.836 2.679 -14.372 994 HB VAL 49 HB VAL 49 -6.595 3.153 -12.706 995 HG11 VAL 49 HG11 VAL 49 -5.595 2.025 -10.792 996 HG12 VAL 49 HG12 VAL 49 -3.985 2.365 -11.426 997 HG13 VAL 49 HG13 VAL 49 -5.068 1.288 -12.307 998 HG21 VAL 49 HG21 VAL 49 -6.119 4.461 -10.707 999 HG22 VAL 49 HG22 VAL 49 -5.953 5.446 -12.161 1000 HG23 VAL 49 HG23 VAL 49 -4.516 4.846 -11.332 1001 HA PRO 50 HA PRO 50 -7.053 6.011 -16.537 1002 HB2 PRO 50 HB2 PRO 50 -9.333 5.675 -14.632 1003 HB3 PRO 50 HB1 PRO 50 -9.350 5.775 -16.397 1004 HG2 PRO 50 HG2 PRO 50 -9.650 3.434 -15.166 1005 HG3 PRO 50 HG1 PRO 50 -8.702 3.562 -16.660 1006 HD2 PRO 50 HD2 PRO 50 -7.782 3.225 -13.851 1007 HD3 PRO 50 HD1 PRO 50 -7.063 2.624 -15.357 1008 H GLN 51 HN GLN 51 -6.205 7.965 -16.137 1009 HA GLN 51 HA GLN 51 -5.596 8.857 -13.539 1010 HB2 GLN 51 HB2 GLN 51 -5.483 10.203 -16.229 1011 HB3 GLN 51 HB1 GLN 51 -4.953 10.998 -14.753 1012 HG2 GLN 51 HG2 GLN 51 -3.240 9.392 -14.401 1013 HG3 GLN 51 HG1 GLN 51 -3.870 8.353 -15.679 1014 HE21 GLN 51 HE21 GLN 51 -1.877 8.361 -16.725 1015 HE22 GLN 51 HE22 GLN 51 -1.320 9.732 -17.621 1016 H THR 52 HN THR 52 -8.328 9.540 -15.629 1017 HA THR 52 HA THR 52 -9.208 11.752 -13.994 1018 HB THR 52 HB THR 52 -9.721 11.585 -16.460 1019 HG1 THR 52 HG1 THR 52 -12.063 11.763 -14.841 1020 HG21 THR 52 HG21 THR 52 -11.646 10.217 -17.140 1021 HG22 THR 52 HG22 THR 52 -11.714 9.517 -15.523 1022 HG23 THR 52 HG23 THR 52 -10.315 9.218 -16.555 1023 H GLN 53 HN GLN 53 -9.166 8.478 -13.611 1024 HA GLN 53 HA GLN 53 -11.547 8.484 -11.869 1025 HB2 GLN 53 HB2 GLN 53 -10.319 6.187 -13.411 1026 HB3 GLN 53 HB1 GLN 53 -11.624 6.023 -12.247 1027 HG2 GLN 53 HG2 GLN 53 -13.093 7.324 -13.635 1028 HG3 GLN 53 HG1 GLN 53 -11.779 7.659 -14.765 1029 HE21 GLN 53 HE21 GLN 53 -12.153 4.571 -13.233 1030 HE22 GLN 53 HE22 GLN 53 -12.613 3.688 -14.649 1031 H CYS 54 HN CYS 54 -8.637 9.145 -11.454 1032 HA CYS 54 HA CYS 54 -7.222 7.134 -10.199 1033 HG CYS 54 HG CYS 54 -7.246 11.273 -11.204 1034 HB2 CYS 54 HB2 CYS 54 -6.121 9.112 -8.958 1035 HB3 CYS 54 HB1 CYS 54 -6.017 9.061 -10.714 1036 H GLU 55 HN GLU 55 -9.477 9.466 -8.717 1037 HA GLU 55 HA GLU 55 -9.088 8.428 -6.093 1038 HB2 GLU 55 HB2 GLU 55 -11.006 9.793 -5.442 1039 HB3 GLU 55 HB1 GLU 55 -9.876 10.712 -6.423 1040 HG2 GLU 55 HG2 GLU 55 -11.311 10.547 -8.335 1041 HG3 GLU 55 HG1 GLU 55 -12.391 9.445 -7.482 1042 H ALA 56 HN ALA 56 -11.126 7.548 -8.752 1043 HA ALA 56 HA ALA 56 -13.009 6.031 -7.230 1044 HB1 ALA 56 HB1 ALA 56 -13.558 6.895 -9.455 1045 HB2 ALA 56 HB2 ALA 56 -13.748 5.144 -9.375 1046 HB3 ALA 56 HB3 ALA 56 -12.334 5.842 -10.165 1047 H LEU 57 HN LEU 57 -10.087 5.258 -9.087 1048 HA LEU 57 HA LEU 57 -10.125 2.480 -8.538 1049 HG LEU 57 HG LEU 57 -7.781 2.821 -11.352 1050 HB2 LEU 57 HB2 LEU 57 -8.071 4.411 -9.505 1051 HB3 LEU 57 HB1 LEU 57 -7.533 2.843 -8.938 1052 HD11 LEU 57 HD11 LEU 57 -8.259 0.761 -10.151 1053 HD12 LEU 57 HD12 LEU 57 -9.274 0.902 -11.586 1054 HD13 LEU 57 HD13 LEU 57 -9.951 1.231 -9.992 1055 HD21 LEU 57 HD21 LEU 57 -9.969 3.100 -12.417 1056 HD22 LEU 57 HD22 LEU 57 -9.442 4.576 -11.609 1057 HD23 LEU 57 HD23 LEU 57 -10.667 3.551 -10.860 1058 H ALA 58 HN ALA 58 -8.856 5.264 -6.830 1059 HA ALA 58 HA ALA 58 -7.434 3.914 -4.822 1060 HB1 ALA 58 HB1 ALA 58 -7.260 6.326 -5.192 1061 HB2 ALA 58 HB2 ALA 58 -7.668 5.959 -3.517 1062 HB3 ALA 58 HB3 ALA 58 -8.916 6.533 -4.621 1063 H GLN 59 HN GLN 59 -10.829 4.925 -5.006 1064 HA GLN 59 HA GLN 59 -11.634 3.931 -2.497 1065 HB2 GLN 59 HB2 GLN 59 -13.207 4.301 -5.055 1066 HB3 GLN 59 HB1 GLN 59 -13.931 3.901 -3.504 1067 HG2 GLN 59 HG2 GLN 59 -12.269 6.362 -3.951 1068 HG3 GLN 59 HG1 GLN 59 -14.015 6.317 -4.184 1069 HE21 GLN 59 HE21 GLN 59 -14.339 7.836 -2.578 1070 HE22 GLN 59 HE22 GLN 59 -14.187 7.453 -0.901 1071 H ALA 60 HN ALA 60 -11.487 2.439 -5.694 1072 HA ALA 60 HA ALA 60 -12.666 -0.027 -5.022 1073 HB1 ALA 60 HB1 ALA 60 -11.570 -0.887 -7.045 1074 HB2 ALA 60 HB2 ALA 60 -10.598 0.582 -7.135 1075 HB3 ALA 60 HB3 ALA 60 -12.347 0.671 -7.333 1076 H PHE 61 HN PHE 61 -9.280 1.045 -5.021 1077 HA PHE 61 HA PHE 61 -8.161 -1.408 -4.195 1078 HD1 PHE 61 HD2 PHE 61 -5.727 -1.404 -5.627 1079 HD2 PHE 61 HD1 PHE 61 -5.469 0.525 -1.841 1080 HE1 PHE 61 HE2 PHE 61 -3.661 -2.646 -5.139 1081 HE2 PHE 61 HE1 PHE 61 -3.400 -0.710 -1.350 1082 HZ PHE 61 HZ PHE 61 -2.496 -2.296 -2.999 1083 HB2 PHE 61 HB2 PHE 61 -6.972 0.684 -5.124 1084 HB3 PHE 61 HB1 PHE 61 -7.022 1.291 -3.474 1085 H SER 62 HN SER 62 -9.348 1.399 -2.397 1086 HA SER 62 HA SER 62 -8.686 0.590 0.181 1087 HG SER 62 HG SER 62 -9.864 2.116 1.806 1088 HB2 SER 62 HB2 SER 62 -9.540 2.828 -0.313 1089 HB3 SER 62 HB1 SER 62 -11.109 2.154 -0.747 1090 H ASN 63 HN ASN 63 -11.796 0.103 -1.511 1091 HA ASN 63 HA ASN 63 -13.034 -1.460 0.423 1092 HB2 ASN 63 HB2 ASN 63 -13.371 -1.267 -2.550 1093 HB3 ASN 63 HB1 ASN 63 -14.283 -2.461 -1.636 1094 HD21 ASN 63 HD21 ASN 63 -13.810 0.923 -2.272 1095 HD22 ASN 63 HD22 ASN 63 -15.260 1.470 -1.490 1096 H SER 64 HN SER 64 -10.835 -2.429 -2.154 1097 HA SER 64 HA SER 64 -11.088 -5.211 -1.805 1098 HG SER 64 HG SER 64 -10.354 -3.138 -4.115 1099 HB2 SER 64 HB2 SER 64 -8.681 -3.646 -2.775 1100 HB3 SER 64 HB1 SER 64 -8.978 -5.366 -3.040 1101 H LEU 65 HN LEU 65 -8.957 -2.803 -0.316 1102 HA LEU 65 HA LEU 65 -7.454 -4.642 1.232 1103 HG LEU 65 HG LEU 65 -6.675 -2.082 -0.367 1104 HB2 LEU 65 HB2 LEU 65 -7.991 -1.705 1.667 1105 HB3 LEU 65 HB1 LEU 65 -6.843 -2.649 2.598 1106 HD11 LEU 65 HD11 LEU 65 -4.755 -0.717 0.227 1107 HD12 LEU 65 HD12 LEU 65 -4.999 -1.084 1.934 1108 HD13 LEU 65 HD13 LEU 65 -6.203 -0.142 1.054 1109 HD21 LEU 65 HD21 LEU 65 -4.768 -3.556 1.450 1110 HD22 LEU 65 HD22 LEU 65 -4.487 -3.158 -0.245 1111 HD23 LEU 65 HD23 LEU 65 -5.770 -4.286 0.197 1112 H ILE 66 HN ILE 66 -10.390 -2.768 1.890 1113 HA ILE 66 HA ILE 66 -10.658 -3.344 4.610 1114 HB ILE 66 HB ILE 66 -12.982 -3.138 2.690 1115 HG12 ILE 66 HG12 ILE 66 -11.489 -1.259 2.261 1116 HG13 ILE 66 HG11 ILE 66 -12.936 -0.704 3.093 1117 HG21 ILE 66 HG21 ILE 66 -14.153 -2.186 4.614 1118 HG22 ILE 66 HG22 ILE 66 -12.708 -2.406 5.599 1119 HG23 ILE 66 HG23 ILE 66 -13.560 -3.812 4.958 1120 HD11 ILE 66 HD11 ILE 66 -10.252 -1.184 4.368 1121 HD12 ILE 66 HD12 ILE 66 -11.699 -0.589 5.183 1122 HD13 ILE 66 HD13 ILE 66 -10.930 0.383 3.930 1123 H ASN 67 HN ASN 67 -11.822 -5.114 1.773 1124 HA ASN 67 HA ASN 67 -13.030 -7.224 3.244 1125 HB2 ASN 67 HB2 ASN 67 -12.236 -6.892 0.366 1126 HB3 ASN 67 HB1 ASN 67 -12.789 -8.452 0.967 1127 HD21 ASN 67 HD21 ASN 67 -13.695 -5.172 0.240 1128 HD22 ASN 67 HD22 ASN 67 -15.404 -5.422 0.348 1129 H ALA 68 HN ALA 68 -9.816 -6.711 1.932 1130 HA ALA 68 HA ALA 68 -8.857 -9.343 2.306 1131 HB1 ALA 68 HB1 ALA 68 -7.285 -6.770 2.315 1132 HB2 ALA 68 HB2 ALA 68 -7.736 -7.688 0.878 1133 HB3 ALA 68 HB3 ALA 68 -6.641 -8.394 2.066 1134 H VAL 69 HN VAL 69 -8.480 -6.416 4.301 1135 HA VAL 69 HA VAL 69 -7.187 -7.604 6.480 1136 HB VAL 69 HB VAL 69 -9.072 -5.237 6.416 1137 HG11 VAL 69 HG11 VAL 69 -8.079 -4.578 8.559 1138 HG12 VAL 69 HG12 VAL 69 -7.172 -6.090 8.599 1139 HG13 VAL 69 HG13 VAL 69 -8.933 -6.117 8.685 1140 HG21 VAL 69 HG21 VAL 69 -7.088 -4.954 5.036 1141 HG22 VAL 69 HG22 VAL 69 -6.060 -5.394 6.400 1142 HG23 VAL 69 HG23 VAL 69 -7.011 -3.910 6.455 1143 H LYS 70 HN LYS 70 -10.621 -7.144 5.812 1144 HA LYS 70 HA LYS 70 -11.708 -8.123 8.171 1145 HB2 LYS 70 HB2 LYS 70 -13.026 -6.978 6.484 1146 HB3 LYS 70 HB1 LYS 70 -12.746 -8.277 5.336 1147 HG2 LYS 70 HG2 LYS 70 -14.060 -9.795 6.689 1148 HG3 LYS 70 HG1 LYS 70 -14.288 -8.540 7.908 1149 HD2 LYS 70 HD2 LYS 70 -16.247 -8.752 6.451 1150 HD3 LYS 70 HD1 LYS 70 -15.489 -7.166 6.298 1151 HE2 LYS 70 HE2 LYS 70 -14.323 -7.978 4.264 1152 HE3 LYS 70 HE1 LYS 70 -15.208 -9.496 4.402 1153 HZ1 LYS 70 HZ1 LYS 70 -17.272 -8.296 4.133 1154 HZ2 LYS 70 HZ2 LYS 70 -16.241 -7.962 2.827 1155 HZ3 LYS 70 HZ3 LYS 70 -16.445 -6.816 4.058 1156 H THR 71 HN THR 71 -10.956 -9.910 5.175 1157 HA THR 71 HA THR 71 -11.852 -12.407 6.236 1158 HB THR 71 HB THR 71 -10.069 -11.993 3.834 1159 HG1 THR 71 HG1 THR 71 -11.821 -10.742 3.396 1160 HG21 THR 71 HG21 THR 71 -10.296 -14.314 4.544 1161 HG22 THR 71 HG22 THR 71 -11.175 -14.050 3.036 1162 HG23 THR 71 HG23 THR 71 -12.051 -14.151 4.564 1163 H ARG 72 HN ARG 72 -8.815 -10.713 6.207 1164 HA ARG 72 HA ARG 72 -7.116 -12.922 6.772 1165 HE ARG 72 HE ARG 72 -5.331 -11.014 9.490 1166 HB2 ARG 72 HB2 ARG 72 -6.686 -10.318 6.136 1167 HB3 ARG 72 HB1 ARG 72 -6.408 -10.257 7.869 1168 HG2 ARG 72 HG2 ARG 72 -4.971 -12.058 5.927 1169 HG3 ARG 72 HG1 ARG 72 -4.339 -10.561 6.607 1170 HD2 ARG 72 HD2 ARG 72 -5.048 -13.070 8.124 1171 HD3 ARG 72 HD1 ARG 72 -3.425 -12.478 7.780 1172 HH11 ARG 72 HH11 ARG 72 -2.096 -12.171 8.795 1173 HH12 ARG 72 HH12 ARG 72 -1.432 -11.567 10.281 1174 HH21 ARG 72 HH21 ARG 72 -4.446 -10.234 11.453 1175 HH22 ARG 72 HH22 ARG 72 -2.767 -10.495 11.805 1176 H LEU 73 HN LEU 73 -8.895 -10.603 8.750 1177 HA LEU 73 HA LEU 73 -7.839 -11.679 11.222 1178 HG LEU 73 HG LEU 73 -10.050 -10.485 13.040 1179 HB2 LEU 73 HB2 LEU 73 -8.242 -9.268 10.950 1180 HB3 LEU 73 HB1 LEU 73 -9.951 -9.581 10.723 1181 HD11 LEU 73 HD11 LEU 73 -7.722 -11.141 13.286 1182 HD12 LEU 73 HD12 LEU 73 -8.189 -10.013 14.560 1183 HD13 LEU 73 HD13 LEU 73 -7.223 -9.453 13.194 1184 HD21 LEU 73 HD21 LEU 73 -9.876 -8.297 14.146 1185 HD22 LEU 73 HD22 LEU 73 -10.706 -8.199 12.592 1186 HD23 LEU 73 HD23 LEU 73 -9.030 -7.665 12.732 1187 H GLU 74 HN GLU 74 -10.985 -11.549 9.566 1188 HA GLU 74 HA GLU 74 -12.199 -13.138 11.682 1189 HB2 GLU 74 HB2 GLU 74 -13.449 -11.237 10.758 1190 HB3 GLU 74 HB1 GLU 74 -13.385 -11.956 9.156 1191 HG2 GLU 74 HG2 GLU 74 -15.557 -12.249 10.277 1192 HG3 GLU 74 HG1 GLU 74 -14.781 -13.779 9.865 1193 H HIS 75 HN HIS 75 -11.778 -15.253 11.606 1194 HA HIS 75 HA HIS 75 -11.475 -16.524 9.003 1195 HD1 HIS 75 HD1 HIS 75 -9.320 -16.382 12.875 1196 HD2 HIS 75 HD2 HIS 75 -12.442 -19.116 12.564 1197 HE1 HIS 75 HE1 HIS 75 -9.901 -17.019 15.237 1198 HE2 HIS 75 HE2 HIS 75 -11.887 -18.554 15.035 1199 HB2 HIS 75 HB2 HIS 75 -10.711 -18.518 10.287 1200 HB3 HIS 75 HB1 HIS 75 -9.729 -17.084 10.527 1201 H HIS 76 HN HIS 76 -13.988 -15.883 11.032 1202 HA HIS 76 HA HIS 76 -15.430 -18.337 10.415 1203 HD1 HIS 76 HD1 HIS 76 -15.660 -19.463 12.428 1204 HD2 HIS 76 HD2 HIS 76 -15.933 -15.816 14.412 1205 HE1 HIS 76 HE1 HIS 76 -15.058 -19.945 14.821 1206 HE2 HIS 76 HE2 HIS 76 -15.395 -17.760 16.034 1207 HB2 HIS 76 HB2 HIS 76 -16.348 -15.778 11.746 1208 HB3 HIS 76 HB1 HIS 76 -17.384 -17.168 11.460 1209 H HIS 77 HN HIS 77 -15.250 -18.215 8.122 1210 HA HIS 77 HA HIS 77 -17.334 -16.547 6.970 1211 HD1 HIS 77 HD1 HIS 77 -14.121 -17.186 3.794 1212 HD2 HIS 77 HD2 HIS 77 -13.016 -16.287 7.703 1213 HE1 HIS 77 HE1 HIS 77 -11.695 -17.830 3.983 1214 HE2 HIS 77 HE2 HIS 77 -10.995 -17.059 6.283 1215 HB2 HIS 77 HB2 HIS 77 -15.890 -15.912 5.029 1216 HB3 HIS 77 HB1 HIS 77 -15.430 -15.157 6.547 1217 H HIS 78 HN HIS 78 -18.391 -18.556 7.013 1218 HA HIS 78 HA HIS 78 -19.328 -20.327 5.979 1219 HD1 HIS 78 HD1 HIS 78 -20.730 -20.218 2.415 1220 HD2 HIS 78 HD2 HIS 78 -19.257 -17.070 4.706 1221 HE1 HIS 78 HE1 HIS 78 -22.360 -18.330 2.105 1222 HE2 HIS 78 HE2 HIS 78 -21.545 -16.500 3.632 1223 HB2 HIS 78 HB2 HIS 78 -17.560 -19.450 3.702 1224 HB3 HIS 78 HB1 HIS 78 -18.641 -20.834 3.582 1225 H HIS 79 HN HIS 79 -19.086 -22.507 5.824 1226 HA HIS 79 HA HIS 79 -16.351 -23.572 5.839 1227 HD1 HIS 79 HD1 HIS 79 -18.666 -26.836 7.583 1228 HD2 HIS 79 HD2 HIS 79 -20.042 -23.016 8.473 1229 HE1 HIS 79 HE1 HIS 79 -21.053 -27.131 8.312 1230 HE2 HIS 79 HE2 HIS 79 -21.834 -24.825 8.961 1231 HB2 HIS 79 HB2 HIS 79 -16.826 -25.101 7.635 1232 HB3 HIS 79 HB1 HIS 79 -17.235 -23.485 8.188 1233 H HIS 80 HN HIS 80 -16.094 -25.372 4.601 1234 HA HIS 80 HA HIS 80 -18.518 -26.285 3.206 1235 HD1 HIS 80 HD1 HIS 80 -15.608 -28.385 0.754 1236 HD2 HIS 80 HD2 HIS 80 -19.079 -26.140 0.289 1237 HE1 HIS 80 HE1 HIS 80 -16.813 -29.392 -1.211 1238 HE2 HIS 80 HE2 HIS 80 -18.980 -28.113 -1.382 1239 HB2 HIS 80 HB2 HIS 80 -16.797 -25.123 1.819 1240 HB3 HIS 80 HB1 HIS 80 -15.649 -26.390 2.241 Start of MODEL 16 1 HA MET 1 HA MET 1 26.631 4.622 12.941 2 H1 MET 1 HT1 MET 1 27.925 3.160 11.619 3 H2 MET 1 HT2 MET 1 26.939 3.409 10.260 4 H3 MET 1 HT3 MET 1 26.327 2.588 11.612 5 HB2 MET 1 HB2 MET 1 28.345 5.519 11.263 6 HB3 MET 1 HB1 MET 1 26.975 5.972 10.260 7 HG2 MET 1 HG2 MET 1 27.705 7.881 11.489 8 HG3 MET 1 HG1 MET 1 26.135 7.373 12.114 9 HE1 MET 1 HE1 MET 1 28.219 9.361 13.592 10 HE2 MET 1 HE2 MET 1 28.078 8.791 15.255 11 HE3 MET 1 HE3 MET 1 26.635 8.957 14.256 12 H ALA 2 HN ALA 2 24.540 4.487 13.480 13 HA ALA 2 HA ALA 2 22.516 4.964 11.381 14 HB1 ALA 2 HB1 ALA 2 22.544 2.616 12.094 15 HB2 ALA 2 HB2 ALA 2 21.037 3.416 12.539 16 HB3 ALA 2 HB3 ALA 2 22.274 3.123 13.762 17 H GLN 3 HN GLN 3 23.836 6.831 13.195 18 HA GLN 3 HA GLN 3 22.170 7.489 15.384 19 HB2 GLN 3 HB2 GLN 3 24.628 8.155 14.843 20 HB3 GLN 3 HB1 GLN 3 23.900 9.479 13.946 21 HG2 GLN 3 HG2 GLN 3 22.787 10.250 15.972 22 HG3 GLN 3 HG1 GLN 3 23.502 8.913 16.877 23 HE21 GLN 3 HE21 GLN 3 24.687 10.167 18.263 24 HE22 GLN 3 HE22 GLN 3 26.030 11.133 17.757 25 H HIS 4 HN HIS 4 21.914 8.016 12.018 26 HA HIS 4 HA HIS 4 20.050 10.241 12.232 27 HD1 HIS 4 HD1 HIS 4 23.472 9.905 10.688 28 HD2 HIS 4 HD2 HIS 4 20.389 12.424 9.500 29 HE1 HIS 4 HE1 HIS 4 24.549 12.136 10.254 30 HE2 HIS 4 HE2 HIS 4 22.705 13.566 9.309 31 HB2 HIS 4 HB2 HIS 4 21.241 8.703 9.946 32 HB3 HIS 4 HB1 HIS 4 19.841 9.735 9.687 33 H SER 5 HN SER 5 19.566 7.318 13.200 34 HA SER 5 HA SER 5 17.229 6.649 11.587 35 HG SER 5 HG SER 5 16.242 4.523 13.265 36 HB2 SER 5 HB2 SER 5 18.891 4.889 12.302 37 HB3 SER 5 HB1 SER 5 18.334 5.126 13.958 38 H LYS 6 HN LYS 6 17.558 8.904 13.680 39 HA LYS 6 HA LYS 6 15.488 8.225 15.592 40 HB2 LYS 6 HB2 LYS 6 15.846 10.619 16.347 41 HB3 LYS 6 HB1 LYS 6 17.230 9.547 16.498 42 HG2 LYS 6 HG2 LYS 6 18.304 10.521 14.625 43 HG3 LYS 6 HG1 LYS 6 16.844 11.397 14.158 44 HD2 LYS 6 HD2 LYS 6 18.272 11.845 16.770 45 HD3 LYS 6 HD1 LYS 6 18.625 12.767 15.307 46 HE2 LYS 6 HE2 LYS 6 16.337 13.559 15.217 47 HE3 LYS 6 HE1 LYS 6 15.911 12.562 16.607 48 HZ1 LYS 6 HZ1 LYS 6 16.418 15.041 16.965 49 HZ2 LYS 6 HZ2 LYS 6 18.048 14.583 16.829 50 HZ3 LYS 6 HZ3 LYS 6 17.079 13.912 18.044 51 H TYR 7 HN TYR 7 14.395 7.948 13.198 52 HA TYR 7 HA TYR 7 12.600 8.472 11.925 53 HD1 TYR 7 HD2 TYR 7 9.972 7.853 12.486 54 HD2 TYR 7 HD1 TYR 7 10.561 12.050 12.880 55 HE1 TYR 7 HE2 TYR 7 7.846 8.254 11.325 56 HE2 TYR 7 HE1 TYR 7 8.431 12.459 11.722 57 HH TYR 7 HH TYR 7 6.930 11.337 10.180 58 HB2 TYR 7 HB2 TYR 7 11.574 8.866 14.181 59 HB3 TYR 7 HB1 TYR 7 11.990 10.568 14.026 60 H SER 8 HN SER 8 14.009 9.212 10.281 61 HA SER 8 HA SER 8 14.205 12.126 10.033 62 HG SER 8 HG SER 8 16.803 12.482 8.554 63 HB2 SER 8 HB2 SER 8 16.392 11.140 10.116 64 HB3 SER 8 HB1 SER 8 15.939 9.914 8.932 65 H ASP 9 HN ASP 9 13.284 13.117 8.330 66 HA ASP 9 HA ASP 9 11.521 11.711 6.613 67 HB2 ASP 9 HB2 ASP 9 11.118 13.789 5.519 68 HB3 ASP 9 HB1 ASP 9 11.382 14.182 7.212 69 H ALA 10 HN ALA 10 14.877 12.416 6.525 70 HA ALA 10 HA ALA 10 15.188 11.905 3.694 71 HB1 ALA 10 HB1 ALA 10 17.568 12.142 4.104 72 HB2 ALA 10 HB2 ALA 10 17.293 12.125 5.847 73 HB3 ALA 10 HB3 ALA 10 16.689 13.465 4.872 74 H GLN 11 HN GLN 11 15.490 10.217 6.747 75 HA GLN 11 HA GLN 11 16.626 7.825 5.698 76 HB2 GLN 11 HB2 GLN 11 16.599 8.407 8.126 77 HB3 GLN 11 HB1 GLN 11 14.859 8.156 8.134 78 HG2 GLN 11 HG2 GLN 11 15.241 5.808 7.446 79 HG3 GLN 11 HG1 GLN 11 16.975 6.089 7.599 80 HE21 GLN 11 HE21 GLN 11 17.245 4.597 9.215 81 HE22 GLN 11 HE22 GLN 11 16.644 4.825 10.822 82 H LEU 12 HN LEU 12 13.339 8.951 6.296 83 HA LEU 12 HA LEU 12 11.872 6.729 5.558 84 HG LEU 12 HG LEU 12 9.955 8.251 3.571 85 HB2 LEU 12 HB2 LEU 12 10.744 8.631 6.455 86 HB3 LEU 12 HB1 LEU 12 11.320 9.663 5.159 87 HD11 LEU 12 HD11 LEU 12 8.800 7.209 6.143 88 HD12 LEU 12 HD12 LEU 12 9.680 6.283 4.929 89 HD13 LEU 12 HD13 LEU 12 8.102 6.973 4.541 90 HD21 LEU 12 HD21 LEU 12 7.829 9.336 4.150 91 HD22 LEU 12 HD22 LEU 12 9.203 10.444 4.242 92 HD23 LEU 12 HD23 LEU 12 8.505 9.782 5.720 93 H SER 13 HN SER 13 12.911 9.414 3.442 94 HA SER 13 HA SER 13 11.852 8.074 1.186 95 HG SER 13 HG SER 13 14.470 10.809 1.329 96 HB2 SER 13 HB2 SER 13 13.101 9.920 -0.085 97 HB3 SER 13 HB1 SER 13 11.724 10.344 0.942 98 H ALA 14 HN ALA 14 14.968 8.052 2.701 99 HA ALA 14 HA ALA 14 16.447 7.029 0.559 100 HB1 ALA 14 HB1 ALA 14 17.867 5.947 2.232 101 HB2 ALA 14 HB2 ALA 14 16.640 6.237 3.468 102 HB3 ALA 14 HB3 ALA 14 17.473 7.598 2.713 103 H ILE 15 HN ILE 15 14.252 5.506 2.843 104 HA ILE 15 HA ILE 15 14.516 2.873 1.805 105 HB ILE 15 HB ILE 15 12.379 4.136 3.518 106 HG12 ILE 15 HG12 ILE 15 14.658 2.245 4.147 107 HG13 ILE 15 HG11 ILE 15 14.581 3.949 4.570 108 HG21 ILE 15 HG21 ILE 15 11.549 1.891 3.969 109 HG22 ILE 15 HG22 ILE 15 12.707 1.219 2.822 110 HG23 ILE 15 HG23 ILE 15 11.417 2.280 2.255 111 HD11 ILE 15 HD11 ILE 15 14.100 2.573 6.493 112 HD12 ILE 15 HD12 ILE 15 12.793 1.771 5.625 113 HD13 ILE 15 HD13 ILE 15 12.664 3.484 6.027 114 H VAL 16 HN VAL 16 11.922 5.354 1.397 115 HA VAL 16 HA VAL 16 10.455 3.630 -0.333 116 HB VAL 16 HB VAL 16 9.384 5.430 1.029 117 HG11 VAL 16 HG11 VAL 16 9.931 7.514 0.884 118 HG12 VAL 16 HG12 VAL 16 9.446 7.542 -0.814 119 HG13 VAL 16 HG13 VAL 16 11.107 7.130 -0.383 120 HG21 VAL 16 HG21 VAL 16 8.794 5.396 -1.923 121 HG22 VAL 16 HG22 VAL 16 7.706 6.015 -0.682 122 HG23 VAL 16 HG23 VAL 16 8.136 4.305 -0.702 123 H ASN 17 HN ASN 17 12.842 6.135 -0.934 124 HA ASN 17 HA ASN 17 12.326 6.220 -3.754 125 HB2 ASN 17 HB2 ASN 17 13.292 8.175 -2.803 126 HB3 ASN 17 HB1 ASN 17 14.588 7.256 -2.050 127 HD21 ASN 17 HD21 ASN 17 16.396 6.836 -3.160 128 HD22 ASN 17 HD22 ASN 17 16.699 7.397 -4.772 129 H ASP 18 HN ASP 18 14.401 4.332 -1.631 130 HA ASP 18 HA ASP 18 15.843 3.098 -3.756 131 HB2 ASP 18 HB2 ASP 18 16.647 3.095 -1.393 132 HB3 ASP 18 HB1 ASP 18 15.304 2.037 -0.970 133 H MET 19 HN MET 19 12.931 2.407 -1.910 134 HA MET 19 HA MET 19 12.192 -0.054 -2.932 135 HB2 MET 19 HB2 MET 19 11.014 1.084 -1.113 136 HB3 MET 19 HB1 MET 19 10.425 2.302 -2.234 137 HG2 MET 19 HG2 MET 19 9.193 0.535 -3.439 138 HG3 MET 19 HG1 MET 19 9.722 -0.621 -2.216 139 HE1 MET 19 HE1 MET 19 8.065 0.952 1.020 140 HE2 MET 19 HE2 MET 19 9.651 1.361 0.366 141 HE3 MET 19 HE3 MET 19 9.123 -0.321 0.413 142 H ILE 20 HN ILE 20 11.526 3.171 -4.269 143 HA ILE 20 HA ILE 20 10.135 2.324 -6.562 144 HB ILE 20 HB ILE 20 11.849 4.792 -6.199 145 HG12 ILE 20 HG12 ILE 20 8.860 4.396 -5.905 146 HG13 ILE 20 HG11 ILE 20 9.998 4.579 -4.575 147 HG21 ILE 20 HG21 ILE 20 9.736 4.189 -8.270 148 HG22 ILE 20 HG22 ILE 20 11.471 4.310 -8.559 149 HG23 ILE 20 HG23 ILE 20 10.560 5.735 -8.060 150 HD11 ILE 20 HD11 ILE 20 8.825 6.652 -4.991 151 HD12 ILE 20 HD12 ILE 20 9.364 6.644 -6.669 152 HD13 ILE 20 HD13 ILE 20 10.539 6.832 -5.365 153 H ALA 21 HN ALA 21 13.581 2.810 -5.937 154 HA ALA 21 HA ALA 21 14.484 2.254 -8.557 155 HB1 ALA 21 HB1 ALA 21 16.676 1.849 -7.509 156 HB2 ALA 21 HB2 ALA 21 15.911 1.903 -5.918 157 HB3 ALA 21 HB3 ALA 21 15.928 3.344 -6.939 158 H VAL 22 HN VAL 22 13.775 0.217 -5.775 159 HA VAL 22 HA VAL 22 14.785 -2.214 -6.777 160 HB VAL 22 HB VAL 22 12.425 -1.856 -4.909 161 HG11 VAL 22 HG11 VAL 22 13.076 -4.068 -4.054 162 HG12 VAL 22 HG12 VAL 22 14.296 -4.181 -5.323 163 HG13 VAL 22 HG13 VAL 22 12.585 -4.112 -5.747 164 HG21 VAL 22 HG21 VAL 22 14.291 -0.633 -4.001 165 HG22 VAL 22 HG22 VAL 22 15.374 -1.999 -4.288 166 HG23 VAL 22 HG23 VAL 22 14.089 -2.131 -3.086 167 H LEU 23 HN LEU 23 11.639 -0.635 -7.111 168 HA LEU 23 HA LEU 23 10.284 -2.672 -8.480 169 HG LEU 23 HG LEU 23 8.099 -1.956 -9.438 170 HB2 LEU 23 HB2 LEU 23 9.271 -0.583 -7.544 171 HB3 LEU 23 HB1 LEU 23 9.983 0.313 -8.868 172 HD11 LEU 23 HD11 LEU 23 6.240 -0.388 -9.414 173 HD12 LEU 23 HD12 LEU 23 7.308 0.891 -8.832 174 HD13 LEU 23 HD13 LEU 23 6.973 -0.509 -7.814 175 HD21 LEU 23 HD21 LEU 23 9.369 -0.960 -11.291 176 HD22 LEU 23 HD22 LEU 23 8.714 0.625 -10.879 177 HD23 LEU 23 HD23 LEU 23 7.638 -0.653 -11.444 178 H GLU 24 HN GLU 24 12.184 0.062 -9.729 179 HA GLU 24 HA GLU 24 11.996 -0.763 -12.458 180 HB2 GLU 24 HB2 GLU 24 12.932 1.485 -11.018 181 HB3 GLU 24 HB1 GLU 24 14.290 0.892 -11.969 182 HG2 GLU 24 HG2 GLU 24 11.565 1.613 -13.027 183 HG3 GLU 24 HG1 GLU 24 13.033 2.580 -13.181 184 H LYS 25 HN LYS 25 13.899 -1.695 -9.822 185 HA LYS 25 HA LYS 25 16.196 -2.664 -11.240 186 HB2 LYS 25 HB2 LYS 25 16.011 -1.979 -8.769 187 HB3 LYS 25 HB1 LYS 25 15.235 -3.532 -8.516 188 HG2 LYS 25 HG2 LYS 25 17.475 -3.830 -7.929 189 HG3 LYS 25 HG1 LYS 25 17.300 -4.578 -9.519 190 HD2 LYS 25 HD2 LYS 25 18.336 -2.733 -10.595 191 HD3 LYS 25 HD1 LYS 25 18.264 -1.752 -9.127 192 HE2 LYS 25 HE2 LYS 25 20.497 -2.513 -9.330 193 HE3 LYS 25 HE1 LYS 25 19.744 -3.455 -8.043 194 HZ1 LYS 25 HZ1 LYS 25 20.432 -4.314 -10.786 195 HZ2 LYS 25 HZ2 LYS 25 19.285 -5.162 -9.874 196 HZ3 LYS 25 HZ3 LYS 25 20.879 -5.025 -9.312 197 H HIS 26 HN HIS 26 13.187 -3.970 -9.996 198 HA HIS 26 HA HIS 26 13.799 -6.663 -10.863 199 HD1 HIS 26 HD1 HIS 26 12.039 -8.011 -7.602 200 HD2 HIS 26 HD2 HIS 26 11.109 -8.408 -11.643 201 HE1 HIS 26 HE1 HIS 26 11.444 -10.435 -7.934 202 HE2 HIS 26 HE2 HIS 26 10.706 -10.601 -10.343 203 HB2 HIS 26 HB2 HIS 26 12.347 -5.896 -8.825 204 HB3 HIS 26 HB1 HIS 26 11.068 -5.724 -10.022 205 H LYS 27 HN LYS 27 12.420 -3.820 -12.137 206 HA LYS 27 HA LYS 27 11.611 -3.261 -14.174 207 HB2 LYS 27 HB2 LYS 27 12.936 -5.875 -14.762 208 HB3 LYS 27 HB1 LYS 27 11.928 -5.140 -16.000 209 HG2 LYS 27 HG2 LYS 27 14.246 -3.767 -14.659 210 HG3 LYS 27 HG1 LYS 27 14.328 -4.596 -16.217 211 HD2 LYS 27 HD2 LYS 27 12.576 -3.082 -17.076 212 HD3 LYS 27 HD1 LYS 27 12.596 -2.222 -15.535 213 HE2 LYS 27 HE2 LYS 27 14.941 -2.522 -17.409 214 HE3 LYS 27 HE1 LYS 27 13.924 -1.088 -17.267 215 HZ1 LYS 27 HZ1 LYS 27 15.618 -2.240 -15.110 216 HZ2 LYS 27 HZ2 LYS 27 14.623 -0.874 -14.959 217 HZ3 LYS 27 HZ3 LYS 27 15.954 -0.838 -16.001 218 H ALA 28 HN ALA 28 9.753 -4.324 -12.295 219 HA ALA 28 HA ALA 28 7.980 -5.934 -13.981 220 HB1 ALA 28 HB1 ALA 28 8.388 -6.747 -11.698 221 HB2 ALA 28 HB2 ALA 28 6.691 -6.334 -11.954 222 HB3 ALA 28 HB3 ALA 28 7.741 -5.238 -11.055 223 HA PRO 29 HA PRO 29 5.689 -2.376 -15.112 224 HB2 PRO 29 HB2 PRO 29 3.210 -3.467 -15.450 225 HB3 PRO 29 HB1 PRO 29 4.527 -3.661 -16.609 226 HG2 PRO 29 HG2 PRO 29 3.585 -5.545 -14.484 227 HG3 PRO 29 HG1 PRO 29 4.068 -5.889 -16.156 228 HD2 PRO 29 HD2 PRO 29 5.717 -6.331 -14.080 229 HD3 PRO 29 HD1 PRO 29 6.321 -5.798 -15.661 230 H VAL 30 HN VAL 30 4.078 -0.917 -14.389 231 HA VAL 30 HA VAL 30 3.795 -0.646 -11.645 232 HB VAL 30 HB VAL 30 3.521 1.213 -13.231 233 HG11 VAL 30 HG11 VAL 30 0.844 -0.028 -13.860 234 HG12 VAL 30 HG12 VAL 30 2.227 0.076 -14.953 235 HG13 VAL 30 HG13 VAL 30 1.411 1.547 -14.418 236 HG21 VAL 30 HG21 VAL 30 1.690 2.355 -12.089 237 HG22 VAL 30 HG22 VAL 30 2.686 1.447 -10.952 238 HG23 VAL 30 HG23 VAL 30 1.119 0.811 -11.454 239 H ASP 31 HN ASP 31 1.877 -2.462 -13.894 240 HA ASP 31 HA ASP 31 -0.480 -2.783 -12.387 241 HB2 ASP 31 HB2 ASP 31 0.800 -4.718 -14.332 242 HB3 ASP 31 HB1 ASP 31 -0.871 -4.767 -13.785 243 H LEU 32 HN LEU 32 2.154 -5.114 -12.862 244 HA LEU 32 HA LEU 32 1.189 -6.904 -10.900 245 HG LEU 32 HG LEU 32 3.514 -8.511 -10.214 246 HB2 LEU 32 HB2 LEU 32 2.651 -7.437 -12.898 247 HB3 LEU 32 HB1 LEU 32 3.998 -6.784 -11.985 248 HD11 LEU 32 HD11 LEU 32 2.156 -10.420 -10.808 249 HD12 LEU 32 HD12 LEU 32 1.779 -9.698 -12.373 250 HD13 LEU 32 HD13 LEU 32 1.182 -8.949 -10.890 251 HD21 LEU 32 HD21 LEU 32 5.318 -8.758 -11.848 252 HD22 LEU 32 HD22 LEU 32 4.195 -9.526 -12.970 253 HD23 LEU 32 HD23 LEU 32 4.593 -10.314 -11.442 254 H SER 33 HN SER 33 3.664 -4.390 -10.853 255 HA SER 33 HA SER 33 4.764 -5.121 -8.343 256 HG SER 33 HG SER 33 5.840 -3.424 -11.203 257 HB2 SER 33 HB2 SER 33 4.877 -2.396 -9.651 258 HB3 SER 33 HB1 SER 33 6.027 -3.078 -8.502 259 H LEU 34 HN LEU 34 2.033 -3.148 -9.283 260 HA LEU 34 HA LEU 34 1.709 -1.896 -6.726 261 HG LEU 34 HG LEU 34 0.208 -0.014 -6.863 262 HB2 LEU 34 HB2 LEU 34 0.759 -1.205 -9.066 263 HB3 LEU 34 HB1 LEU 34 -0.540 -2.310 -8.670 264 HD11 LEU 34 HD11 LEU 34 -1.616 1.241 -7.910 265 HD12 LEU 34 HD12 LEU 34 -1.808 -0.039 -9.107 266 HD13 LEU 34 HD13 LEU 34 -0.319 0.903 -9.055 267 HD21 LEU 34 HD21 LEU 34 -2.101 -0.283 -6.076 268 HD22 LEU 34 HD22 LEU 34 -1.162 -1.761 -5.854 269 HD23 LEU 34 HD23 LEU 34 -2.316 -1.640 -7.182 270 H ILE 35 HN ILE 35 0.495 -4.804 -8.301 271 HA ILE 35 HA ILE 35 -1.360 -5.581 -6.341 272 HB ILE 35 HB ILE 35 0.347 -7.424 -8.026 273 HG12 ILE 35 HG12 ILE 35 -2.376 -6.247 -8.622 274 HG13 ILE 35 HG11 ILE 35 -0.871 -5.728 -9.371 275 HG21 ILE 35 HG21 ILE 35 -1.497 -9.009 -7.741 276 HG22 ILE 35 HG22 ILE 35 -2.332 -7.851 -6.708 277 HG23 ILE 35 HG23 ILE 35 -0.801 -8.550 -6.189 278 HD11 ILE 35 HD11 ILE 35 -2.110 -7.185 -10.842 279 HD12 ILE 35 HD12 ILE 35 -2.131 -8.449 -9.612 280 HD13 ILE 35 HD13 ILE 35 -0.604 -7.956 -10.344 281 H ALA 36 HN ALA 36 2.133 -6.079 -6.590 282 HA ALA 36 HA ALA 36 2.523 -7.692 -4.339 283 HB1 ALA 36 HB1 ALA 36 4.824 -6.829 -4.353 284 HB2 ALA 36 HB2 ALA 36 4.340 -5.579 -5.503 285 HB3 ALA 36 HB3 ALA 36 4.281 -7.280 -5.970 286 H LEU 37 HN LEU 37 2.459 -4.172 -4.695 287 HA LEU 37 HA LEU 37 2.916 -3.487 -2.017 288 HG LEU 37 HG LEU 37 0.877 -1.118 -1.833 289 HB2 LEU 37 HB2 LEU 37 2.973 -1.885 -3.867 290 HB3 LEU 37 HB1 LEU 37 1.247 -2.074 -4.094 291 HD11 LEU 37 HD11 LEU 37 2.734 0.036 -0.726 292 HD12 LEU 37 HD12 LEU 37 3.850 -0.625 -1.924 293 HD13 LEU 37 HD13 LEU 37 2.999 -1.705 -0.817 294 HD21 LEU 37 HD21 LEU 37 2.488 0.620 -3.699 295 HD22 LEU 37 HD22 LEU 37 1.389 1.186 -2.442 296 HD23 LEU 37 HD23 LEU 37 0.759 0.293 -3.826 297 H GLY 38 HN GLY 38 -0.103 -4.171 -3.760 298 HA2 GLY 38 HA2 GLY 38 -1.878 -3.689 -1.631 299 HA3 GLY 38 HA1 GLY 38 -2.195 -4.739 -3.004 300 H ASN 39 HN ASN 39 -0.254 -6.683 -2.648 301 HA ASN 39 HA ASN 39 -1.362 -8.408 -0.751 302 HB2 ASN 39 HB2 ASN 39 0.015 -9.147 -2.670 303 HB3 ASN 39 HB1 ASN 39 1.439 -8.451 -1.904 304 HD21 ASN 39 HD21 ASN 39 -0.765 -11.095 -1.973 305 HD22 ASN 39 HD22 ASN 39 0.065 -12.095 -0.836 306 H MET 40 HN MET 40 1.485 -6.303 -0.543 307 HA MET 40 HA MET 40 2.208 -7.233 2.063 308 HB2 MET 40 HB2 MET 40 3.861 -6.291 0.489 309 HB3 MET 40 HB1 MET 40 3.080 -4.721 0.620 310 HG2 MET 40 HG2 MET 40 3.629 -4.627 2.987 311 HG3 MET 40 HG1 MET 40 4.375 -6.221 2.885 312 HE1 MET 40 HE1 MET 40 5.889 -3.783 4.133 313 HE2 MET 40 HE2 MET 40 7.478 -3.938 3.384 314 HE3 MET 40 HE3 MET 40 6.617 -5.378 3.926 315 H ALA 41 HN ALA 41 0.437 -4.437 0.820 316 HA ALA 41 HA ALA 41 0.226 -2.978 3.193 317 HB1 ALA 41 HB1 ALA 41 -0.389 -2.101 0.981 318 HB2 ALA 41 HB2 ALA 41 -1.676 -1.870 2.168 319 HB3 ALA 41 HB3 ALA 41 -1.802 -3.155 0.968 320 H SER 42 HN SER 42 -1.972 -5.436 1.860 321 HA SER 42 HA SER 42 -3.860 -5.259 3.951 322 HG SER 42 HG SER 42 -2.834 -7.015 0.928 323 HB2 SER 42 HB2 SER 42 -4.558 -7.562 3.083 324 HB3 SER 42 HB1 SER 42 -4.601 -6.233 1.923 325 H ASN 43 HN ASN 43 -1.105 -7.397 3.407 326 HA ASN 43 HA ASN 43 -1.427 -9.123 5.570 327 HB2 ASN 43 HB2 ASN 43 0.230 -9.290 3.649 328 HB3 ASN 43 HB1 ASN 43 1.230 -8.132 4.514 329 HD21 ASN 43 HD21 ASN 43 1.757 -10.886 3.730 330 HD22 ASN 43 HD22 ASN 43 2.155 -11.730 5.184 331 H LEU 44 HN LEU 44 0.291 -6.016 5.391 332 HA LEU 44 HA LEU 44 1.175 -6.094 8.094 333 HG LEU 44 HG LEU 44 2.596 -5.359 5.377 334 HB2 LEU 44 HB2 LEU 44 0.937 -3.787 6.170 335 HB3 LEU 44 HB1 LEU 44 1.722 -3.697 7.737 336 HD11 LEU 44 HD11 LEU 44 4.587 -3.941 5.471 337 HD12 LEU 44 HD12 LEU 44 3.861 -3.016 6.783 338 HD13 LEU 44 HD13 LEU 44 3.126 -2.999 5.182 339 HD21 LEU 44 HD21 LEU 44 3.834 -5.173 8.119 340 HD22 LEU 44 HD22 LEU 44 4.442 -6.106 6.752 341 HD23 LEU 44 HD23 LEU 44 2.911 -6.547 7.513 342 H LEU 45 HN LEU 45 -1.578 -4.571 6.475 343 HA LEU 45 HA LEU 45 -2.343 -3.053 8.769 344 HG LEU 45 HG LEU 45 -1.936 -2.203 5.851 345 HB2 LEU 45 HB2 LEU 45 -3.829 -3.718 6.230 346 HB3 LEU 45 HB1 LEU 45 -4.446 -2.644 7.469 347 HD11 LEU 45 HD11 LEU 45 -4.634 -0.864 5.743 348 HD12 LEU 45 HD12 LEU 45 -3.933 -1.915 4.513 349 HD13 LEU 45 HD13 LEU 45 -3.200 -0.348 4.854 350 HD21 LEU 45 HD21 LEU 45 -1.718 -1.282 8.086 351 HD22 LEU 45 HD22 LEU 45 -3.273 -0.466 7.923 352 HD23 LEU 45 HD23 LEU 45 -1.916 0.013 6.905 353 H THR 46 HN THR 46 -2.752 -6.331 7.964 354 HA THR 46 HA THR 46 -5.103 -6.524 9.710 355 HB THR 46 HB THR 46 -4.988 -8.999 9.085 356 HG1 THR 46 HG1 THR 46 -3.388 -8.071 6.929 357 HG21 THR 46 HG21 THR 46 -6.046 -8.627 6.900 358 HG22 THR 46 HG22 THR 46 -5.457 -6.965 6.901 359 HG23 THR 46 HG23 THR 46 -6.631 -7.486 8.112 360 H THR 47 HN THR 47 -1.705 -6.972 9.765 361 HA THR 47 HA THR 47 -1.845 -8.756 12.069 362 HB THR 47 HB THR 47 0.682 -8.812 11.775 363 HG1 THR 47 HG1 THR 47 0.311 -7.956 9.140 364 HG21 THR 47 HG21 THR 47 -1.027 -9.761 9.467 365 HG22 THR 47 HG22 THR 47 -0.791 -10.618 10.991 366 HG23 THR 47 HG23 THR 47 0.569 -10.375 9.896 367 H SER 48 HN SER 48 -0.408 -5.607 11.174 368 HA SER 48 HA SER 48 0.338 -5.265 14.001 369 HG SER 48 HG SER 48 1.715 -2.709 13.647 370 HB2 SER 48 HB2 SER 48 2.113 -5.120 12.206 371 HB3 SER 48 HB1 SER 48 1.318 -3.652 11.635 372 H VAL 49 HN VAL 49 -2.352 -4.796 12.786 373 HA VAL 49 HA VAL 49 -2.729 -1.954 12.732 374 HB VAL 49 HB VAL 49 -4.152 -3.325 11.355 375 HG11 VAL 49 HG11 VAL 49 -5.794 -4.881 12.273 376 HG12 VAL 49 HG12 VAL 49 -5.158 -4.600 13.895 377 HG13 VAL 49 HG13 VAL 49 -4.145 -5.370 12.673 378 HG21 VAL 49 HG21 VAL 49 -5.716 -2.081 13.614 379 HG22 VAL 49 HG22 VAL 49 -6.370 -2.515 12.033 380 HG23 VAL 49 HG23 VAL 49 -5.131 -1.265 12.165 381 HA PRO 50 HA PRO 50 -3.075 -1.617 17.216 382 HB2 PRO 50 HB2 PRO 50 -3.617 1.202 16.593 383 HB3 PRO 50 HB1 PRO 50 -2.322 0.500 17.565 384 HG2 PRO 50 HG2 PRO 50 -1.871 1.603 15.147 385 HG3 PRO 50 HG1 PRO 50 -0.928 0.230 15.758 386 HD2 PRO 50 HD2 PRO 50 -3.155 0.264 13.764 387 HD3 PRO 50 HD1 PRO 50 -1.665 -0.704 13.776 388 H GLN 51 HN GLN 51 -5.236 -0.569 14.733 389 HA GLN 51 HA GLN 51 -7.476 -0.541 14.500 390 HB2 GLN 51 HB2 GLN 51 -7.558 -2.636 15.743 391 HB3 GLN 51 HB1 GLN 51 -7.536 -1.749 17.264 392 HG2 GLN 51 HG2 GLN 51 -9.680 -0.730 16.711 393 HG3 GLN 51 HG1 GLN 51 -9.706 -1.608 15.182 394 HE21 GLN 51 HE21 GLN 51 -10.175 -3.795 15.179 395 HE22 GLN 51 HE22 GLN 51 -10.825 -4.606 16.560 396 H THR 52 HN THR 52 -6.637 0.372 17.811 397 HA THR 52 HA THR 52 -8.799 1.799 18.593 398 HB THR 52 HB THR 52 -7.178 3.205 19.957 399 HG1 THR 52 HG1 THR 52 -4.985 2.530 19.829 400 HG21 THR 52 HG21 THR 52 -6.827 0.205 20.005 401 HG22 THR 52 HG22 THR 52 -8.135 1.098 20.780 402 HG23 THR 52 HG23 THR 52 -6.473 1.311 21.333 403 H GLN 53 HN GLN 53 -5.992 3.282 16.996 404 HA GLN 53 HA GLN 53 -7.747 5.499 16.148 405 HB2 GLN 53 HB2 GLN 53 -5.671 6.850 15.990 406 HB3 GLN 53 HB1 GLN 53 -5.990 6.277 17.623 407 HG2 GLN 53 HG2 GLN 53 -4.376 4.438 17.235 408 HG3 GLN 53 HG1 GLN 53 -4.001 5.149 15.669 409 HE21 GLN 53 HE21 GLN 53 -2.801 7.038 15.572 410 HE22 GLN 53 HE22 GLN 53 -1.957 7.674 16.946 411 H CYS 54 HN CYS 54 -6.060 2.809 15.119 412 HA CYS 54 HA CYS 54 -4.926 3.793 12.708 413 HG CYS 54 HG CYS 54 -4.858 1.739 10.606 414 HB2 CYS 54 HB2 CYS 54 -4.069 1.795 13.861 415 HB3 CYS 54 HB1 CYS 54 -5.571 0.952 13.499 416 H GLU 55 HN GLU 55 -8.004 2.286 13.533 417 HA GLU 55 HA GLU 55 -8.787 1.680 10.883 418 HB2 GLU 55 HB2 GLU 55 -9.819 0.764 12.997 419 HB3 GLU 55 HB1 GLU 55 -10.615 2.317 13.206 420 HG2 GLU 55 HG2 GLU 55 -11.800 2.014 11.106 421 HG3 GLU 55 HG1 GLU 55 -10.971 0.479 10.852 422 H ALA 56 HN ALA 56 -9.283 4.476 12.972 423 HA ALA 56 HA ALA 56 -10.867 6.002 11.225 424 HB1 ALA 56 HB1 ALA 56 -10.192 7.920 12.596 425 HB2 ALA 56 HB2 ALA 56 -8.946 6.932 13.358 426 HB3 ALA 56 HB3 ALA 56 -10.650 6.538 13.591 427 H LEU 57 HN LEU 57 -7.355 6.082 11.819 428 HA LEU 57 HA LEU 57 -6.791 8.059 9.905 429 HG LEU 57 HG LEU 57 -3.820 8.024 12.030 430 HB2 LEU 57 HB2 LEU 57 -5.183 6.082 11.430 431 HB3 LEU 57 HB1 LEU 57 -4.438 6.809 10.020 432 HD11 LEU 57 HD11 LEU 57 -5.703 9.553 10.243 433 HD12 LEU 57 HD12 LEU 57 -3.976 9.300 9.995 434 HD13 LEU 57 HD13 LEU 57 -4.537 10.283 11.345 435 HD21 LEU 57 HD21 LEU 57 -5.723 7.545 13.442 436 HD22 LEU 57 HD22 LEU 57 -6.781 8.476 12.383 437 HD23 LEU 57 HD23 LEU 57 -5.514 9.290 13.302 438 H ALA 58 HN ALA 58 -7.060 4.565 9.627 439 HA ALA 58 HA ALA 58 -5.968 4.294 7.043 440 HB1 ALA 58 HB1 ALA 58 -7.178 2.185 6.927 441 HB2 ALA 58 HB2 ALA 58 -8.151 2.648 8.325 442 HB3 ALA 58 HB3 ALA 58 -6.418 2.377 8.508 443 H GLN 59 HN GLN 59 -9.334 4.721 8.112 444 HA GLN 59 HA GLN 59 -10.415 4.956 5.512 445 HB2 GLN 59 HB2 GLN 59 -11.365 5.596 8.267 446 HB3 GLN 59 HB1 GLN 59 -12.267 6.228 6.897 447 HG2 GLN 59 HG2 GLN 59 -11.621 3.321 7.327 448 HG3 GLN 59 HG1 GLN 59 -13.146 4.094 7.764 449 HE21 GLN 59 HE21 GLN 59 -12.612 1.934 5.865 450 HE22 GLN 59 HE22 GLN 59 -13.229 2.473 4.341 451 H ALA 60 HN ALA 60 -9.044 7.286 7.747 452 HA ALA 60 HA ALA 60 -9.824 9.623 6.363 453 HB1 ALA 60 HB1 ALA 60 -7.422 9.188 8.138 454 HB2 ALA 60 HB2 ALA 60 -9.035 9.662 8.675 455 HB3 ALA 60 HB3 ALA 60 -8.089 10.749 7.655 456 H PHE 61 HN PHE 61 -6.788 7.749 6.290 457 HA PHE 61 HA PHE 61 -5.530 9.305 4.298 458 HD1 PHE 61 HD2 PHE 61 -2.866 9.346 4.643 459 HD2 PHE 61 HD1 PHE 61 -3.980 5.596 2.959 460 HE1 PHE 61 HE2 PHE 61 -0.954 9.468 3.103 461 HE2 PHE 61 HE1 PHE 61 -2.071 5.716 1.421 462 HZ PHE 61 HZ PHE 61 -0.553 7.654 1.490 463 HB2 PHE 61 HB2 PHE 61 -4.375 7.682 5.829 464 HB3 PHE 61 HB1 PHE 61 -5.066 6.370 4.882 465 H SER 62 HN SER 62 -7.589 6.446 4.156 466 HA SER 62 HA SER 62 -7.469 5.867 1.448 467 HG SER 62 HG SER 62 -9.807 3.754 1.542 468 HB2 SER 62 HB2 SER 62 -8.662 4.487 3.114 469 HB3 SER 62 HB1 SER 62 -9.890 5.742 3.265 470 H ASN 63 HN ASN 63 -9.870 7.929 3.082 471 HA ASN 63 HA ASN 63 -11.011 8.933 0.726 472 HB2 ASN 63 HB2 ASN 63 -11.059 9.844 3.582 473 HB3 ASN 63 HB1 ASN 63 -11.799 10.827 2.318 474 HD21 ASN 63 HD21 ASN 63 -11.954 7.834 4.092 475 HD22 ASN 63 HD22 ASN 63 -13.541 7.375 3.558 476 H SER 64 HN SER 64 -8.182 9.938 2.509 477 HA SER 64 HA SER 64 -7.844 12.470 1.311 478 HG SER 64 HG SER 64 -7.219 11.205 3.898 479 HB2 SER 64 HB2 SER 64 -5.735 10.517 2.279 480 HB3 SER 64 HB1 SER 64 -5.455 12.219 1.907 481 H LEU 65 HN LEU 65 -6.823 9.215 0.364 482 HA LEU 65 HA LEU 65 -5.560 9.977 -2.054 483 HG LEU 65 HG LEU 65 -5.028 7.863 0.249 484 HB2 LEU 65 HB2 LEU 65 -6.844 7.346 -1.308 485 HB3 LEU 65 HB1 LEU 65 -5.765 7.602 -2.667 486 HD11 LEU 65 HD11 LEU 65 -3.657 5.886 -0.168 487 HD12 LEU 65 HD12 LEU 65 -4.289 5.794 -1.813 488 HD13 LEU 65 HD13 LEU 65 -5.368 5.556 -0.438 489 HD21 LEU 65 HD21 LEU 65 -3.787 9.441 -1.118 490 HD22 LEU 65 HD22 LEU 65 -3.347 8.150 -2.237 491 HD23 LEU 65 HD23 LEU 65 -2.738 8.129 -0.582 492 H ILE 66 HN ILE 66 -8.840 8.935 -1.238 493 HA ILE 66 HA ILE 66 -9.929 8.789 -3.800 494 HB ILE 66 HB ILE 66 -11.390 9.799 -1.352 495 HG12 ILE 66 HG12 ILE 66 -10.365 7.723 -0.743 496 HG13 ILE 66 HG11 ILE 66 -12.062 7.397 -1.070 497 HG21 ILE 66 HG21 ILE 66 -12.410 8.387 -3.813 498 HG22 ILE 66 HG22 ILE 66 -12.578 10.109 -3.474 499 HG23 ILE 66 HG23 ILE 66 -13.379 8.924 -2.440 500 HD11 ILE 66 HD11 ILE 66 -11.475 6.501 -3.255 501 HD12 ILE 66 HD12 ILE 66 -10.619 5.660 -1.961 502 HD13 ILE 66 HD13 ILE 66 -9.774 6.855 -2.947 503 H ASN 67 HN ASN 67 -9.783 11.568 -1.588 504 HA ASN 67 HA ASN 67 -11.018 13.373 -3.394 505 HB2 ASN 67 HB2 ASN 67 -9.419 13.737 -0.875 506 HB3 ASN 67 HB1 ASN 67 -9.885 15.128 -1.851 507 HD21 ASN 67 HD21 ASN 67 -11.006 12.563 0.209 508 HD22 ASN 67 HD22 ASN 67 -12.617 13.172 0.421 509 H ALA 68 HN ALA 68 -7.697 12.383 -2.890 510 HA ALA 68 HA ALA 68 -6.471 14.410 -4.433 511 HB1 ALA 68 HB1 ALA 68 -4.554 12.912 -4.564 512 HB2 ALA 68 HB2 ALA 68 -5.544 11.571 -3.985 513 HB3 ALA 68 HB3 ALA 68 -5.208 12.942 -2.926 514 H VAL 69 HN VAL 69 -7.609 11.146 -5.262 515 HA VAL 69 HA VAL 69 -7.063 11.302 -8.031 516 HB VAL 69 HB VAL 69 -9.171 9.658 -6.603 517 HG11 VAL 69 HG11 VAL 69 -9.065 8.195 -8.583 518 HG12 VAL 69 HG12 VAL 69 -8.002 9.362 -9.370 519 HG13 VAL 69 HG13 VAL 69 -9.659 9.809 -8.972 520 HG21 VAL 69 HG21 VAL 69 -7.534 7.848 -6.695 521 HG22 VAL 69 HG22 VAL 69 -6.904 9.223 -5.787 522 HG23 VAL 69 HG23 VAL 69 -6.364 8.935 -7.441 523 H LYS 70 HN LYS 70 -9.962 12.012 -6.129 524 HA LYS 70 HA LYS 70 -11.751 12.727 -8.105 525 HB2 LYS 70 HB2 LYS 70 -12.201 12.608 -5.644 526 HB3 LYS 70 HB1 LYS 70 -11.356 14.137 -5.455 527 HG2 LYS 70 HG2 LYS 70 -13.042 15.172 -6.972 528 HG3 LYS 70 HG1 LYS 70 -13.934 13.647 -6.928 529 HD2 LYS 70 HD2 LYS 70 -14.923 15.027 -5.284 530 HD3 LYS 70 HD1 LYS 70 -13.927 13.866 -4.404 531 HE2 LYS 70 HE2 LYS 70 -13.466 15.919 -3.379 532 HE3 LYS 70 HE1 LYS 70 -12.104 15.667 -4.471 533 HZ1 LYS 70 HZ1 LYS 70 -14.458 17.416 -4.928 534 HZ2 LYS 70 HZ2 LYS 70 -13.274 17.094 -6.102 535 HZ3 LYS 70 HZ3 LYS 70 -12.856 17.914 -4.677 536 H THR 71 HN THR 71 -9.499 14.867 -6.391 537 HA THR 71 HA THR 71 -10.035 17.185 -7.868 538 HB THR 71 HB THR 71 -7.459 16.461 -6.453 539 HG1 THR 71 HG1 THR 71 -9.040 16.278 -4.935 540 HG21 THR 71 HG21 THR 71 -8.691 19.154 -7.061 541 HG22 THR 71 HG22 THR 71 -7.276 18.464 -7.861 542 HG23 THR 71 HG23 THR 71 -7.208 18.877 -6.147 543 H ARG 72 HN ARG 72 -7.860 14.498 -8.455 544 HA ARG 72 HA ARG 72 -6.254 15.748 -10.427 545 HE ARG 72 HE ARG 72 -2.729 14.643 -12.400 546 HB2 ARG 72 HB2 ARG 72 -5.814 13.593 -9.088 547 HB3 ARG 72 HB1 ARG 72 -6.810 12.794 -10.295 548 HG2 ARG 72 HG2 ARG 72 -4.563 12.488 -10.953 549 HG3 ARG 72 HG1 ARG 72 -5.243 13.703 -12.038 550 HD2 ARG 72 HD2 ARG 72 -4.222 15.476 -10.714 551 HD3 ARG 72 HD1 ARG 72 -3.568 14.281 -9.594 552 HH11 ARG 72 HH11 ARG 72 -2.117 13.514 -9.147 553 HH12 ARG 72 HH12 ARG 72 -0.477 13.044 -9.471 554 HH21 ARG 72 HH21 ARG 72 -0.588 14.039 -12.844 555 HH22 ARG 72 HH22 ARG 72 0.393 13.344 -11.591 556 H LEU 73 HN LEU 73 -9.276 13.944 -10.544 557 HA LEU 73 HA LEU 73 -9.315 13.900 -13.436 558 HG LEU 73 HG LEU 73 -11.154 10.832 -12.659 559 HB2 LEU 73 HB2 LEU 73 -11.092 12.879 -11.279 560 HB3 LEU 73 HB1 LEU 73 -11.794 13.145 -12.862 561 HD11 LEU 73 HD11 LEU 73 -10.877 11.887 -14.844 562 HD12 LEU 73 HD12 LEU 73 -9.692 10.606 -14.586 563 HD13 LEU 73 HD13 LEU 73 -9.212 12.298 -14.436 564 HD21 LEU 73 HD21 LEU 73 -9.441 11.079 -10.927 565 HD22 LEU 73 HD22 LEU 73 -8.356 11.808 -12.110 566 HD23 LEU 73 HD23 LEU 73 -8.859 10.127 -12.294 567 H GLU 74 HN GLU 74 -10.389 16.010 -10.947 568 HA GLU 74 HA GLU 74 -12.268 17.420 -12.634 569 HB2 GLU 74 HB2 GLU 74 -11.081 18.103 -9.942 570 HB3 GLU 74 HB1 GLU 74 -12.285 19.080 -10.764 571 HG2 GLU 74 HG2 GLU 74 -13.882 17.269 -10.636 572 HG3 GLU 74 HG1 GLU 74 -12.671 16.233 -9.876 573 H HIS 75 HN HIS 75 -9.068 18.043 -11.256 574 HA HIS 75 HA HIS 75 -8.870 20.498 -12.841 575 HD1 HIS 75 HD1 HIS 75 -8.118 22.967 -10.354 576 HD2 HIS 75 HD2 HIS 75 -9.841 19.347 -9.244 577 HE1 HIS 75 HE1 HIS 75 -9.928 23.548 -8.703 578 HE2 HIS 75 HE2 HIS 75 -11.046 21.352 -8.146 579 HB2 HIS 75 HB2 HIS 75 -7.178 19.485 -10.540 580 HB3 HIS 75 HB1 HIS 75 -6.945 21.023 -11.364 581 H HIS 76 HN HIS 76 -7.895 20.367 -14.722 582 HA HIS 76 HA HIS 76 -5.667 18.460 -15.035 583 HD1 HIS 76 HD1 HIS 76 -6.139 15.879 -16.412 584 HD2 HIS 76 HD2 HIS 76 -9.852 17.731 -16.068 585 HE1 HIS 76 HE1 HIS 76 -7.766 14.046 -15.842 586 HE2 HIS 76 HE2 HIS 76 -10.029 15.156 -15.855 587 HB2 HIS 76 HB2 HIS 76 -7.766 19.218 -17.080 588 HB3 HIS 76 HB1 HIS 76 -6.310 18.307 -17.454 589 H HIS 77 HN HIS 77 -7.123 21.375 -16.479 590 HA HIS 77 HA HIS 77 -4.415 22.472 -16.757 591 HD1 HIS 77 HD1 HIS 77 -6.144 25.309 -19.004 592 HD2 HIS 77 HD2 HIS 77 -2.893 22.847 -19.834 593 HE1 HIS 77 HE1 HIS 77 -4.460 26.775 -20.161 594 HE2 HIS 77 HE2 HIS 77 -2.557 25.235 -20.772 595 HB2 HIS 77 HB2 HIS 77 -5.221 21.649 -18.954 596 HB3 HIS 77 HB1 HIS 77 -6.617 22.713 -18.819 597 H HIS 78 HN HIS 78 -4.428 24.016 -15.245 598 HA HIS 78 HA HIS 78 -6.570 26.028 -15.418 599 HD1 HIS 78 HD1 HIS 78 -4.573 27.903 -11.985 600 HD2 HIS 78 HD2 HIS 78 -8.345 26.911 -13.438 601 HE1 HIS 78 HE1 HIS 78 -6.105 29.750 -11.226 602 HE2 HIS 78 HE2 HIS 78 -8.404 29.045 -11.978 603 HB2 HIS 78 HB2 HIS 78 -6.129 24.910 -13.176 604 HB3 HIS 78 HB1 HIS 78 -4.568 25.725 -13.171 605 H HIS 79 HN HIS 79 -6.047 28.114 -15.898 606 HA HIS 79 HA HIS 79 -3.736 28.547 -17.449 607 HD1 HIS 79 HD1 HIS 79 -4.548 32.852 -16.714 608 HD2 HIS 79 HD2 HIS 79 -3.834 30.142 -19.793 609 HE1 HIS 79 HE1 HIS 79 -3.349 34.153 -18.503 610 HE2 HIS 79 HE2 HIS 79 -2.880 32.486 -20.334 611 HB2 HIS 79 HB2 HIS 79 -5.941 29.720 -17.691 612 HB3 HIS 79 HB1 HIS 79 -5.551 30.648 -16.249 613 H HIS 80 HN HIS 80 -4.513 30.820 -14.877 614 HA HIS 80 HA HIS 80 -1.988 30.247 -13.530 615 HD1 HIS 80 HD1 HIS 80 -0.955 33.640 -16.423 616 HD2 HIS 80 HD2 HIS 80 0.208 30.331 -14.182 617 HE1 HIS 80 HE1 HIS 80 1.208 32.855 -17.438 618 HE2 HIS 80 HE2 HIS 80 1.781 30.739 -16.194 619 HB2 HIS 80 HB2 HIS 80 -2.728 32.873 -14.792 620 HB3 HIS 80 HB1 HIS 80 -1.756 32.857 -13.326 621 HA MET 1 HA MET 1 -3.819 -11.790 -27.682 622 H1 MET 1 HT1 MET 1 -5.848 -10.928 -26.616 623 H2 MET 1 HT2 MET 1 -5.164 -9.871 -27.747 624 H3 MET 1 HT3 MET 1 -4.970 -9.576 -26.085 625 HB2 MET 1 HB2 MET 1 -2.573 -9.505 -26.140 626 HB3 MET 1 HB1 MET 1 -1.663 -10.841 -26.830 627 HG2 MET 1 HG2 MET 1 -2.428 -10.206 -29.061 628 HG3 MET 1 HG1 MET 1 -3.324 -8.856 -28.368 629 HE1 MET 1 HE1 MET 1 -0.357 -7.076 -30.218 630 HE2 MET 1 HE2 MET 1 -2.111 -7.230 -30.077 631 HE3 MET 1 HE3 MET 1 -1.159 -8.558 -30.744 632 H ALA 2 HN ALA 2 -3.620 -13.652 -26.655 633 HA ALA 2 HA ALA 2 -4.036 -13.708 -23.763 634 HB1 ALA 2 HB1 ALA 2 -3.989 -15.984 -25.737 635 HB2 ALA 2 HB2 ALA 2 -5.435 -15.146 -25.177 636 HB3 ALA 2 HB3 ALA 2 -4.461 -16.079 -24.041 637 H GLN 3 HN GLN 3 -1.448 -13.214 -25.501 638 HA GLN 3 HA GLN 3 0.268 -15.089 -24.028 639 HB2 GLN 3 HB2 GLN 3 0.506 -15.022 -26.520 640 HB3 GLN 3 HB1 GLN 3 1.009 -13.342 -26.383 641 HG2 GLN 3 HG2 GLN 3 2.924 -14.045 -25.014 642 HG3 GLN 3 HG1 GLN 3 2.426 -15.725 -25.209 643 HE21 GLN 3 HE21 GLN 3 2.645 -16.713 -27.217 644 HE22 GLN 3 HE22 GLN 3 3.685 -16.068 -28.441 645 H HIS 4 HN HIS 4 1.005 -14.279 -22.187 646 HA HIS 4 HA HIS 4 1.996 -11.528 -22.168 647 HD1 HIS 4 HD1 HIS 4 -0.220 -14.549 -20.720 648 HD2 HIS 4 HD2 HIS 4 -0.169 -11.621 -17.764 649 HE1 HIS 4 HE1 HIS 4 -1.084 -15.666 -18.643 650 HE2 HIS 4 HE2 HIS 4 -1.219 -13.828 -16.921 651 HB2 HIS 4 HB2 HIS 4 0.844 -10.921 -20.159 652 HB3 HIS 4 HB1 HIS 4 -0.352 -11.524 -21.292 653 H SER 5 HN SER 5 3.811 -11.243 -21.012 654 HA SER 5 HA SER 5 4.825 -13.604 -19.561 655 HG SER 5 HG SER 5 6.369 -11.266 -22.291 656 HB2 SER 5 HB2 SER 5 7.093 -12.875 -20.257 657 HB3 SER 5 HB1 SER 5 6.061 -13.236 -21.639 658 H LYS 6 HN LYS 6 6.281 -13.162 -17.795 659 HA LYS 6 HA LYS 6 7.137 -12.087 -15.993 660 HB2 LYS 6 HB2 LYS 6 7.770 -10.284 -17.571 661 HB3 LYS 6 HB1 LYS 6 6.216 -9.518 -17.285 662 HG2 LYS 6 HG2 LYS 6 6.806 -9.291 -14.895 663 HG3 LYS 6 HG1 LYS 6 8.402 -9.951 -15.263 664 HD2 LYS 6 HD2 LYS 6 7.222 -7.456 -16.481 665 HD3 LYS 6 HD1 LYS 6 8.405 -7.489 -15.173 666 HE2 LYS 6 HE2 LYS 6 10.030 -8.545 -16.633 667 HE3 LYS 6 HE1 LYS 6 8.840 -8.640 -17.930 668 HZ1 LYS 6 HZ1 LYS 6 8.811 -6.288 -18.119 669 HZ2 LYS 6 HZ2 LYS 6 10.440 -6.764 -18.118 670 HZ3 LYS 6 HZ3 LYS 6 9.752 -6.090 -16.725 671 H TYR 7 HN TYR 7 3.908 -11.265 -17.026 672 HA TYR 7 HA TYR 7 3.016 -10.447 -14.412 673 HD1 TYR 7 HD2 TYR 7 1.641 -7.881 -15.344 674 HD2 TYR 7 HD1 TYR 7 -0.661 -11.451 -15.088 675 HE1 TYR 7 HE2 TYR 7 -0.084 -6.669 -14.086 676 HE2 TYR 7 HE1 TYR 7 -2.398 -10.245 -13.831 677 HH TYR 7 HH TYR 7 -2.458 -6.832 -13.595 678 HB2 TYR 7 HB2 TYR 7 2.115 -9.779 -16.783 679 HB3 TYR 7 HB1 TYR 7 1.192 -11.271 -16.653 680 H SER 8 HN SER 8 4.148 -12.662 -13.822 681 HA SER 8 HA SER 8 2.226 -14.862 -13.941 682 HG SER 8 HG SER 8 4.152 -15.975 -15.556 683 HB2 SER 8 HB2 SER 8 5.137 -14.934 -13.145 684 HB3 SER 8 HB1 SER 8 4.085 -16.323 -13.424 685 H ASP 9 HN ASP 9 1.493 -15.876 -12.117 686 HA ASP 9 HA ASP 9 1.320 -14.418 -9.707 687 HB2 ASP 9 HB2 ASP 9 0.914 -17.393 -10.133 688 HB3 ASP 9 HB1 ASP 9 0.317 -16.447 -8.773 689 H ALA 10 HN ALA 10 3.552 -16.736 -10.971 690 HA ALA 10 HA ALA 10 4.937 -17.225 -8.506 691 HB1 ALA 10 HB1 ALA 10 5.825 -17.662 -11.357 692 HB2 ALA 10 HB2 ALA 10 5.010 -18.844 -10.334 693 HB3 ALA 10 HB3 ALA 10 6.630 -18.287 -9.918 694 H GLN 11 HN GLN 11 5.123 -14.926 -11.150 695 HA GLN 11 HA GLN 11 7.666 -13.861 -10.379 696 HB2 GLN 11 HB2 GLN 11 6.752 -13.578 -12.662 697 HB3 GLN 11 HB1 GLN 11 5.473 -12.565 -12.008 698 HG2 GLN 11 HG2 GLN 11 7.090 -11.103 -12.899 699 HG3 GLN 11 HG1 GLN 11 7.265 -11.031 -11.147 700 HE21 GLN 11 HE21 GLN 11 8.416 -13.646 -13.178 701 HE22 GLN 11 HE22 GLN 11 10.102 -13.349 -12.934 702 H LEU 12 HN LEU 12 4.296 -12.944 -9.844 703 HA LEU 12 HA LEU 12 4.659 -10.603 -8.409 704 HG LEU 12 HG LEU 12 2.593 -11.170 -6.122 705 HB2 LEU 12 HB2 LEU 12 2.464 -11.335 -9.135 706 HB3 LEU 12 HB1 LEU 12 2.541 -12.729 -8.073 707 HD11 LEU 12 HD11 LEU 12 1.883 -8.845 -6.497 708 HD12 LEU 12 HD12 LEU 12 2.031 -9.099 -8.236 709 HD13 LEU 12 HD13 LEU 12 3.459 -9.196 -7.205 710 HD21 LEU 12 HD21 LEU 12 0.519 -12.224 -6.759 711 HD22 LEU 12 HD22 LEU 12 0.217 -10.975 -7.965 712 HD23 LEU 12 HD23 LEU 12 0.209 -10.563 -6.247 713 H SER 13 HN SER 13 4.359 -13.923 -7.122 714 HA SER 13 HA SER 13 4.638 -13.256 -4.431 715 HG SER 13 HG SER 13 4.357 -16.103 -6.754 716 HB2 SER 13 HB2 SER 13 5.524 -15.699 -4.276 717 HB3 SER 13 HB1 SER 13 3.865 -15.419 -4.810 718 H ALA 14 HN ALA 14 7.116 -14.090 -6.836 719 HA ALA 14 HA ALA 14 9.353 -13.990 -5.156 720 HB1 ALA 14 HB1 ALA 14 10.664 -13.615 -7.167 721 HB2 ALA 14 HB2 ALA 14 9.210 -13.167 -8.056 722 HB3 ALA 14 HB3 ALA 14 9.410 -14.819 -7.476 723 H ILE 15 HN ILE 15 7.619 -11.406 -6.839 724 HA ILE 15 HA ILE 15 9.468 -9.339 -6.253 725 HB ILE 15 HB ILE 15 6.520 -9.143 -6.888 726 HG12 ILE 15 HG12 ILE 15 8.943 -8.798 -8.671 727 HG13 ILE 15 HG11 ILE 15 7.916 -10.228 -8.630 728 HG21 ILE 15 HG21 ILE 15 7.045 -6.808 -7.521 729 HG22 ILE 15 HG22 ILE 15 8.664 -7.022 -6.852 730 HG23 ILE 15 HG23 ILE 15 7.254 -7.123 -5.797 731 HD11 ILE 15 HD11 ILE 15 7.352 -8.821 -10.509 732 HD12 ILE 15 HD12 ILE 15 7.069 -7.457 -9.428 733 HD13 ILE 15 HD13 ILE 15 6.017 -8.870 -9.356 734 H VAL 16 HN VAL 16 6.380 -10.272 -4.707 735 HA VAL 16 HA VAL 16 6.466 -8.188 -2.785 736 HB VAL 16 HB VAL 16 5.062 -10.746 -2.136 737 HG11 VAL 16 HG11 VAL 16 3.403 -9.267 -1.219 738 HG12 VAL 16 HG12 VAL 16 4.200 -7.867 -1.937 739 HG13 VAL 16 HG13 VAL 16 4.996 -8.768 -0.642 740 HG21 VAL 16 HG21 VAL 16 4.623 -10.475 -4.518 741 HG22 VAL 16 HG22 VAL 16 4.121 -8.805 -4.244 742 HG23 VAL 16 HG23 VAL 16 3.176 -10.133 -3.568 743 H ASN 17 HN ASN 17 7.516 -11.559 -2.737 744 HA ASN 17 HA ASN 17 8.129 -11.717 0.010 745 HB2 ASN 17 HB2 ASN 17 7.861 -13.656 -1.574 746 HB3 ASN 17 HB1 ASN 17 9.448 -13.267 -2.225 747 HD21 ASN 17 HD21 ASN 17 10.194 -15.317 -1.613 748 HD22 ASN 17 HD22 ASN 17 10.587 -15.679 0.037 749 H ASP 18 HN ASP 18 10.048 -10.728 -2.794 750 HA ASP 18 HA ASP 18 12.475 -10.437 -1.349 751 HB2 ASP 18 HB2 ASP 18 12.466 -10.689 -3.789 752 HB3 ASP 18 HB1 ASP 18 11.606 -9.163 -3.955 753 H MET 19 HN MET 19 9.906 -8.216 -2.357 754 HA MET 19 HA MET 19 10.948 -5.814 -1.469 755 HB2 MET 19 HB2 MET 19 8.317 -6.857 -2.131 756 HB3 MET 19 HB1 MET 19 8.235 -5.654 -0.850 757 HG2 MET 19 HG2 MET 19 9.576 -5.252 -3.518 758 HG3 MET 19 HG1 MET 19 7.954 -4.697 -3.102 759 HE1 MET 19 HE1 MET 19 8.375 -3.819 -0.058 760 HE2 MET 19 HE2 MET 19 7.453 -2.878 -1.230 761 HE3 MET 19 HE3 MET 19 8.707 -2.099 -0.264 762 H ILE 20 HN ILE 20 9.051 -8.174 0.393 763 HA ILE 20 HA ILE 20 9.032 -6.757 2.820 764 HB ILE 20 HB ILE 20 8.979 -9.752 2.388 765 HG12 ILE 20 HG12 ILE 20 6.718 -7.774 2.779 766 HG13 ILE 20 HG11 ILE 20 7.164 -8.510 1.243 767 HG21 ILE 20 HG21 ILE 20 9.578 -9.199 4.688 768 HG22 ILE 20 HG22 ILE 20 7.945 -9.863 4.611 769 HG23 ILE 20 HG23 ILE 20 8.180 -8.126 4.803 770 HD11 ILE 20 HD11 ILE 20 5.227 -9.597 2.225 771 HD12 ILE 20 HD12 ILE 20 6.162 -9.975 3.676 772 HD13 ILE 20 HD13 ILE 20 6.594 -10.707 2.129 773 H ALA 21 HN ALA 21 11.312 -9.134 1.513 774 HA ALA 21 HA ALA 21 13.001 -9.244 3.779 775 HB1 ALA 21 HB1 ALA 21 12.976 -10.970 2.040 776 HB2 ALA 21 HB2 ALA 21 14.598 -10.333 2.302 777 HB3 ALA 21 HB3 ALA 21 13.667 -9.823 0.894 778 H VAL 22 HN VAL 22 12.956 -7.192 0.914 779 HA VAL 22 HA VAL 22 15.401 -5.889 1.183 780 HB VAL 22 HB VAL 22 12.786 -4.681 0.246 781 HG11 VAL 22 HG11 VAL 22 14.442 -2.966 0.737 782 HG12 VAL 22 HG12 VAL 22 14.196 -3.105 -1.004 783 HG13 VAL 22 HG13 VAL 22 15.632 -3.808 -0.258 784 HG21 VAL 22 HG21 VAL 22 13.332 -6.680 -1.030 785 HG22 VAL 22 HG22 VAL 22 14.963 -6.069 -1.320 786 HG23 VAL 22 HG23 VAL 22 13.575 -5.237 -2.017 787 H LEU 23 HN LEU 23 12.257 -5.097 2.621 788 HA LEU 23 HA LEU 23 13.304 -2.839 4.051 789 HG LEU 23 HG LEU 23 10.734 -3.317 2.147 790 HB2 LEU 23 HB2 LEU 23 10.674 -4.287 4.357 791 HB3 LEU 23 HB1 LEU 23 11.076 -2.746 5.093 792 HD11 LEU 23 HD11 LEU 23 8.660 -3.096 3.389 793 HD12 LEU 23 HD12 LEU 23 8.908 -1.710 2.327 794 HD13 LEU 23 HD13 LEU 23 9.210 -1.558 4.057 795 HD21 LEU 23 HD21 LEU 23 11.182 -0.947 1.779 796 HD22 LEU 23 HD22 LEU 23 12.586 -1.763 2.474 797 HD23 LEU 23 HD23 LEU 23 11.562 -0.749 3.490 798 H GLU 24 HN GLU 24 12.767 -6.212 4.725 799 HA GLU 24 HA GLU 24 12.974 -6.196 7.522 800 HB2 GLU 24 HB2 GLU 24 12.234 -8.168 6.358 801 HB3 GLU 24 HB1 GLU 24 13.736 -8.268 5.459 802 HG2 GLU 24 HG2 GLU 24 13.704 -9.960 7.146 803 HG3 GLU 24 HG1 GLU 24 14.932 -8.762 7.547 804 H LYS 25 HN LYS 25 15.418 -6.139 4.999 805 HA LYS 25 HA LYS 25 17.653 -6.722 6.598 806 HB2 LYS 25 HB2 LYS 25 17.397 -5.202 4.007 807 HB3 LYS 25 HB1 LYS 25 18.944 -5.606 4.740 808 HG2 LYS 25 HG2 LYS 25 18.502 -7.954 4.531 809 HG3 LYS 25 HG1 LYS 25 16.854 -7.636 3.986 810 HD2 LYS 25 HD2 LYS 25 17.699 -6.588 1.962 811 HD3 LYS 25 HD1 LYS 25 19.360 -6.811 2.518 812 HE2 LYS 25 HE2 LYS 25 18.738 -8.520 0.891 813 HE3 LYS 25 HE1 LYS 25 19.065 -9.231 2.471 814 HZ1 LYS 25 HZ1 LYS 25 17.107 -10.224 1.543 815 HZ2 LYS 25 HZ2 LYS 25 16.397 -8.711 1.274 816 HZ3 LYS 25 HZ3 LYS 25 16.640 -9.264 2.861 817 H HIS 26 HN HIS 26 15.938 -3.716 6.056 818 HA HIS 26 HA HIS 26 17.975 -2.273 7.617 819 HD1 HIS 26 HD1 HIS 26 15.161 0.750 7.774 820 HD2 HIS 26 HD2 HIS 26 19.090 0.601 6.429 821 HE1 HIS 26 HE1 HIS 26 16.197 2.927 8.473 822 HE2 HIS 26 HE2 HIS 26 18.543 2.862 7.570 823 HB2 HIS 26 HB2 HIS 26 17.243 -1.293 5.441 824 HB3 HIS 26 HB1 HIS 26 15.614 -1.153 6.087 825 H LYS 27 HN LYS 27 15.082 -3.850 7.971 826 HA LYS 27 HA LYS 27 13.452 -3.985 9.518 827 HB2 LYS 27 HB2 LYS 27 15.235 -4.110 11.169 828 HB3 LYS 27 HB1 LYS 27 15.353 -2.353 11.205 829 HG2 LYS 27 HG2 LYS 27 12.993 -2.282 12.017 830 HG3 LYS 27 HG1 LYS 27 13.044 -4.041 12.140 831 HD2 LYS 27 HD2 LYS 27 14.970 -2.201 13.544 832 HD3 LYS 27 HD1 LYS 27 13.488 -2.815 14.278 833 HE2 LYS 27 HE2 LYS 27 14.277 -5.099 14.008 834 HE3 LYS 27 HE1 LYS 27 15.731 -4.519 13.197 835 HZ1 LYS 27 HZ1 LYS 27 15.013 -3.732 15.961 836 HZ2 LYS 27 HZ2 LYS 27 16.506 -3.537 15.178 837 HZ3 LYS 27 HZ3 LYS 27 15.967 -5.086 15.612 838 H ALA 28 HN ALA 28 11.880 -2.869 8.436 839 HA ALA 28 HA ALA 28 11.556 -0.029 8.978 840 HB1 ALA 28 HB1 ALA 28 9.761 -1.908 7.435 841 HB2 ALA 28 HB2 ALA 28 11.033 -0.906 6.732 842 HB3 ALA 28 HB3 ALA 28 9.638 -0.150 7.497 843 HA PRO 29 HA PRO 29 9.462 -1.400 12.701 844 HB2 PRO 29 HB2 PRO 29 9.331 1.003 13.912 845 HB3 PRO 29 HB1 PRO 29 10.846 0.104 13.765 846 HG2 PRO 29 HG2 PRO 29 9.827 2.384 12.110 847 HG3 PRO 29 HG1 PRO 29 11.453 2.117 12.766 848 HD2 PRO 29 HD2 PRO 29 10.777 1.562 10.187 849 HD3 PRO 29 HD1 PRO 29 12.035 0.681 11.074 850 H VAL 30 HN VAL 30 7.860 -0.903 10.327 851 HA VAL 30 HA VAL 30 5.676 -0.700 9.771 852 HB VAL 30 HB VAL 30 5.206 -0.072 12.693 853 HG11 VAL 30 HG11 VAL 30 3.229 -0.711 10.509 854 HG12 VAL 30 HG12 VAL 30 3.419 0.843 11.322 855 HG13 VAL 30 HG13 VAL 30 2.852 -0.562 12.225 856 HG21 VAL 30 HG21 VAL 30 6.088 -2.320 12.292 857 HG22 VAL 30 HG22 VAL 30 4.797 -2.617 11.128 858 HG23 VAL 30 HG23 VAL 30 4.408 -2.369 12.830 859 H ASP 31 HN ASP 31 6.619 1.885 12.046 860 HA ASP 31 HA ASP 31 5.007 3.938 11.129 861 HB2 ASP 31 HB2 ASP 31 7.893 4.203 12.012 862 HB3 ASP 31 HB1 ASP 31 6.714 5.505 11.948 863 H LEU 32 HN LEU 32 8.430 3.690 10.253 864 HA LEU 32 HA LEU 32 8.300 5.440 8.082 865 HG LEU 32 HG LEU 32 10.262 4.917 10.418 866 HB2 LEU 32 HB2 LEU 32 10.262 3.211 8.625 867 HB3 LEU 32 HB1 LEU 32 10.491 4.478 7.437 868 HD11 LEU 32 HD11 LEU 32 12.667 5.003 8.601 869 HD12 LEU 32 HD12 LEU 32 12.330 3.774 9.818 870 HD13 LEU 32 HD13 LEU 32 12.648 5.438 10.311 871 HD21 LEU 32 HD21 LEU 32 10.985 7.206 9.894 872 HD22 LEU 32 HD22 LEU 32 9.440 6.820 9.136 873 HD23 LEU 32 HD23 LEU 32 10.917 6.828 8.172 874 H SER 33 HN SER 33 7.661 2.027 8.312 875 HA SER 33 HA SER 33 7.891 1.367 5.585 876 HG SER 33 HG SER 33 6.191 -0.419 5.160 877 HB2 SER 33 HB2 SER 33 7.790 -0.310 7.423 878 HB3 SER 33 HB1 SER 33 6.089 0.086 7.658 879 H LEU 34 HN LEU 34 5.030 2.182 7.559 880 HA LEU 34 HA LEU 34 3.225 2.001 5.388 881 HG LEU 34 HG LEU 34 3.117 0.952 8.300 882 HB2 LEU 34 HB2 LEU 34 2.955 3.377 8.056 883 HB3 LEU 34 HB1 LEU 34 1.643 3.189 6.910 884 HD11 LEU 34 HD11 LEU 34 0.300 1.985 8.604 885 HD12 LEU 34 HD12 LEU 34 1.607 2.152 9.777 886 HD13 LEU 34 HD13 LEU 34 0.962 0.555 9.397 887 HD21 LEU 34 HD21 LEU 34 1.446 -0.519 7.259 888 HD22 LEU 34 HD22 LEU 34 2.465 0.273 6.057 889 HD23 LEU 34 HD23 LEU 34 0.822 0.851 6.340 890 H ILE 35 HN ILE 35 5.142 4.653 6.672 891 HA ILE 35 HA ILE 35 3.769 6.695 5.241 892 HB ILE 35 HB ILE 35 6.641 6.791 6.178 893 HG12 ILE 35 HG12 ILE 35 4.129 7.636 7.644 894 HG13 ILE 35 HG11 ILE 35 5.057 6.185 8.006 895 HG21 ILE 35 HG21 ILE 35 6.004 8.545 4.599 896 HG22 ILE 35 HG22 ILE 35 6.260 9.211 6.212 897 HG23 ILE 35 HG23 ILE 35 4.621 8.960 5.610 898 HD11 ILE 35 HD11 ILE 35 6.087 9.004 8.210 899 HD12 ILE 35 HD12 ILE 35 6.966 7.538 8.635 900 HD13 ILE 35 HD13 ILE 35 5.540 8.009 9.557 901 H ALA 36 HN ALA 36 6.872 5.012 4.602 902 HA ALA 36 HA ALA 36 7.342 5.910 2.047 903 HB1 ALA 36 HB1 ALA 36 8.606 3.860 1.712 904 HB2 ALA 36 HB2 ALA 36 7.807 3.126 3.102 905 HB3 ALA 36 HB3 ALA 36 8.886 4.502 3.329 906 H LEU 37 HN LEU 37 5.411 3.065 3.023 907 HA LEU 37 HA LEU 37 4.626 2.296 0.446 908 HG LEU 37 HG LEU 37 5.280 0.795 3.165 909 HB2 LEU 37 HB2 LEU 37 3.150 1.956 3.055 910 HB3 LEU 37 HB1 LEU 37 2.742 1.129 1.565 911 HD11 LEU 37 HD11 LEU 37 3.377 -0.306 4.174 912 HD12 LEU 37 HD12 LEU 37 4.464 -1.501 3.471 913 HD13 LEU 37 HD13 LEU 37 2.972 -1.069 2.639 914 HD21 LEU 37 HD21 LEU 37 5.885 -0.926 1.556 915 HD22 LEU 37 HD22 LEU 37 5.737 0.644 0.769 916 HD23 LEU 37 HD23 LEU 37 4.452 -0.552 0.599 917 H GLY 38 HN GLY 38 3.156 4.542 2.749 918 HA2 GLY 38 HA2 GLY 38 0.853 5.154 1.230 919 HA3 GLY 38 HA1 GLY 38 1.557 6.164 2.485 920 H ASN 39 HN ASN 39 4.002 6.799 1.475 921 HA ASN 39 HA ASN 39 3.621 8.870 -0.319 922 HB2 ASN 39 HB2 ASN 39 5.667 8.452 1.078 923 HB3 ASN 39 HB1 ASN 39 6.129 7.186 -0.052 924 HD21 ASN 39 HD21 ASN 39 6.089 10.532 0.611 925 HD22 ASN 39 HD22 ASN 39 6.896 11.055 -0.829 926 H MET 40 HN MET 40 4.747 5.577 -0.981 927 HA MET 40 HA MET 40 4.973 5.849 -3.779 928 HB2 MET 40 HB2 MET 40 6.059 4.078 -2.415 929 HB3 MET 40 HB1 MET 40 4.487 3.338 -2.164 930 HG2 MET 40 HG2 MET 40 5.719 2.171 -3.881 931 HG3 MET 40 HG1 MET 40 4.287 2.941 -4.562 932 HE1 MET 40 HE1 MET 40 6.960 1.826 -6.140 933 HE2 MET 40 HE2 MET 40 7.060 3.059 -7.399 934 HE3 MET 40 HE3 MET 40 5.492 2.395 -6.937 935 H ALA 41 HN ALA 41 2.394 4.446 -1.766 936 HA ALA 41 HA ALA 41 0.705 3.615 -3.826 937 HB1 ALA 41 HB1 ALA 41 -1.068 3.569 -2.166 938 HB2 ALA 41 HB2 ALA 41 -0.101 4.566 -1.079 939 HB3 ALA 41 HB3 ALA 41 0.430 2.933 -1.485 940 H SER 42 HN SER 42 0.762 6.699 -2.059 941 HA SER 42 HA SER 42 -1.469 7.879 -3.234 942 HG SER 42 HG SER 42 0.288 8.185 -0.577 943 HB2 SER 42 HB2 SER 42 1.083 9.238 -2.323 944 HB3 SER 42 HB1 SER 42 -0.472 10.030 -2.576 945 H ASN 43 HN ASN 43 1.940 8.076 -4.227 946 HA ASN 43 HA ASN 43 1.502 9.795 -6.408 947 HB2 ASN 43 HB2 ASN 43 3.720 9.274 -5.282 948 HB3 ASN 43 HB1 ASN 43 3.738 7.779 -6.213 949 HD21 ASN 43 HD21 ASN 43 5.563 8.338 -7.365 950 HD22 ASN 43 HD22 ASN 43 5.562 9.582 -8.576 951 H LEU 44 HN LEU 44 1.580 6.267 -6.162 952 HA LEU 44 HA LEU 44 1.399 5.789 -8.945 953 HG LEU 44 HG LEU 44 3.036 4.404 -6.649 954 HB2 LEU 44 HB2 LEU 44 0.649 4.051 -6.599 955 HB3 LEU 44 HB1 LEU 44 0.654 3.499 -8.263 956 HD11 LEU 44 HD11 LEU 44 3.795 2.117 -6.980 957 HD12 LEU 44 HD12 LEU 44 2.324 1.747 -7.879 958 HD13 LEU 44 HD13 LEU 44 2.231 2.149 -6.165 959 HD21 LEU 44 HD21 LEU 44 4.369 3.924 -8.630 960 HD22 LEU 44 HD22 LEU 44 3.198 5.204 -8.957 961 HD23 LEU 44 HD23 LEU 44 2.902 3.567 -9.544 962 H LEU 45 HN LEU 45 -1.079 5.815 -6.395 963 HA LEU 45 HA LEU 45 -3.191 5.102 -8.149 964 HG LEU 45 HG LEU 45 -2.308 4.139 -5.318 965 HB2 LEU 45 HB2 LEU 45 -3.266 6.396 -5.426 966 HB3 LEU 45 HB1 LEU 45 -4.668 5.767 -6.269 967 HD11 LEU 45 HD11 LEU 45 -3.742 4.915 -3.502 968 HD12 LEU 45 HD12 LEU 45 -3.904 3.175 -3.746 969 HD13 LEU 45 HD13 LEU 45 -5.156 4.270 -4.336 970 HD21 LEU 45 HD21 LEU 45 -3.610 2.205 -6.014 971 HD22 LEU 45 HD22 LEU 45 -3.280 3.257 -7.390 972 HD23 LEU 45 HD23 LEU 45 -4.877 3.263 -6.638 973 H THR 46 HN THR 46 -1.584 8.080 -7.639 974 HA THR 46 HA THR 46 -3.892 9.556 -8.700 975 HB THR 46 HB THR 46 -2.500 11.605 -8.248 976 HG1 THR 46 HG1 THR 46 -0.909 9.917 -6.617 977 HG21 THR 46 HG21 THR 46 -4.250 10.875 -6.706 978 HG22 THR 46 HG22 THR 46 -2.883 11.555 -5.823 979 HG23 THR 46 HG23 THR 46 -3.103 9.806 -5.895 980 H THR 47 HN THR 47 -1.278 7.943 -9.897 981 HA THR 47 HA THR 47 -1.029 9.802 -12.171 982 HB THR 47 HB THR 47 1.072 7.840 -11.229 983 HG1 THR 47 HG1 THR 47 1.175 9.394 -9.722 984 HG21 THR 47 HG21 THR 47 1.200 10.087 -13.252 985 HG22 THR 47 HG22 THR 47 1.196 8.362 -13.623 986 HG23 THR 47 HG23 THR 47 2.553 9.072 -12.749 987 H SER 48 HN SER 48 -1.240 6.413 -11.188 988 HA SER 48 HA SER 48 -1.332 5.548 -13.975 989 HG SER 48 HG SER 48 0.707 3.795 -11.515 990 HB2 SER 48 HB2 SER 48 -1.446 3.889 -11.446 991 HB3 SER 48 HB1 SER 48 -1.149 3.298 -13.082 992 H VAL 49 HN VAL 49 -3.508 7.046 -12.424 993 HA VAL 49 HA VAL 49 -5.676 5.103 -12.471 994 HB VAL 49 HB VAL 49 -5.655 6.521 -10.532 995 HG11 VAL 49 HG11 VAL 49 -5.722 8.865 -12.429 996 HG12 VAL 49 HG12 VAL 49 -4.379 8.396 -11.384 997 HG13 VAL 49 HG13 VAL 49 -5.892 8.963 -10.676 998 HG21 VAL 49 HG21 VAL 49 -7.876 7.554 -10.657 999 HG22 VAL 49 HG22 VAL 49 -7.852 5.950 -11.389 1000 HG23 VAL 49 HG23 VAL 49 -7.849 7.385 -12.413 1001 HA PRO 50 HA PRO 50 -6.761 6.508 -16.633 1002 HB2 PRO 50 HB2 PRO 50 -8.920 4.808 -16.807 1003 HB3 PRO 50 HB1 PRO 50 -7.268 4.356 -17.236 1004 HG2 PRO 50 HG2 PRO 50 -8.804 3.785 -14.744 1005 HG3 PRO 50 HG1 PRO 50 -7.653 2.757 -15.617 1006 HD2 PRO 50 HD2 PRO 50 -7.005 4.084 -13.346 1007 HD3 PRO 50 HD1 PRO 50 -5.825 3.753 -14.630 1008 H GLN 51 HN GLN 51 -9.321 5.614 -14.327 1009 HA GLN 51 HA GLN 51 -10.044 8.200 -13.640 1010 HB2 GLN 51 HB2 GLN 51 -10.836 8.336 -15.990 1011 HB3 GLN 51 HB1 GLN 51 -11.944 7.012 -15.664 1012 HG2 GLN 51 HG2 GLN 51 -12.958 8.430 -13.862 1013 HG3 GLN 51 HG1 GLN 51 -11.968 9.761 -14.457 1014 HE21 GLN 51 HE21 GLN 51 -14.655 7.682 -15.082 1015 HE22 GLN 51 HE22 GLN 51 -15.290 8.564 -16.436 1016 H THR 52 HN THR 52 -12.408 5.714 -14.503 1017 HA THR 52 HA THR 52 -13.372 5.841 -11.775 1018 HB THR 52 HB THR 52 -14.531 4.386 -14.158 1019 HG1 THR 52 HG1 THR 52 -15.526 6.807 -13.095 1020 HG21 THR 52 HG21 THR 52 -15.818 5.214 -11.553 1021 HG22 THR 52 HG22 THR 52 -15.277 3.582 -11.934 1022 HG23 THR 52 HG23 THR 52 -16.579 4.316 -12.871 1023 H GLN 53 HN GLN 53 -11.809 3.529 -13.919 1024 HA GLN 53 HA GLN 53 -12.433 1.144 -12.610 1025 HB2 GLN 53 HB2 GLN 53 -11.197 1.394 -14.808 1026 HB3 GLN 53 HB1 GLN 53 -9.753 1.759 -13.871 1027 HG2 GLN 53 HG2 GLN 53 -9.994 -0.450 -12.756 1028 HG3 GLN 53 HG1 GLN 53 -11.327 -0.808 -13.852 1029 HE21 GLN 53 HE21 GLN 53 -7.905 -0.532 -13.500 1030 HE22 GLN 53 HE22 GLN 53 -7.485 -1.111 -15.074 1031 H CYS 54 HN CYS 54 -9.814 3.431 -12.016 1032 HA CYS 54 HA CYS 54 -8.749 1.863 -9.848 1033 HG CYS 54 HG CYS 54 -7.229 3.605 -7.967 1034 HB2 CYS 54 HB2 CYS 54 -7.288 3.237 -11.313 1035 HB3 CYS 54 HB1 CYS 54 -8.063 4.688 -10.689 1036 H GLU 55 HN GLU 55 -10.792 4.671 -10.263 1037 HA GLU 55 HA GLU 55 -10.870 5.644 -7.653 1038 HB2 GLU 55 HB2 GLU 55 -11.825 6.841 -9.541 1039 HB3 GLU 55 HB1 GLU 55 -13.028 5.582 -9.769 1040 HG2 GLU 55 HG2 GLU 55 -13.912 6.135 -7.498 1041 HG3 GLU 55 HG1 GLU 55 -12.808 7.510 -7.473 1042 H ALA 56 HN ALA 56 -13.100 3.366 -9.236 1043 HA ALA 56 HA ALA 56 -14.633 2.842 -6.928 1044 HB1 ALA 56 HB1 ALA 56 -15.479 2.444 -9.180 1045 HB2 ALA 56 HB2 ALA 56 -15.567 0.977 -8.204 1046 HB3 ALA 56 HB3 ALA 56 -14.291 1.161 -9.407 1047 H LEU 57 HN LEU 57 -12.017 0.991 -8.487 1048 HA LEU 57 HA LEU 57 -12.088 -1.166 -6.691 1049 HG LEU 57 HG LEU 57 -11.204 -2.958 -8.220 1050 HB2 LEU 57 HB2 LEU 57 -10.154 -0.165 -8.706 1051 HB3 LEU 57 HB1 LEU 57 -9.557 -1.302 -7.514 1052 HD11 LEU 57 HD11 LEU 57 -13.022 -1.483 -8.870 1053 HD12 LEU 57 HD12 LEU 57 -12.607 -2.581 -10.189 1054 HD13 LEU 57 HD13 LEU 57 -12.076 -0.898 -10.240 1055 HD21 LEU 57 HD21 LEU 57 -10.333 -3.399 -10.461 1056 HD22 LEU 57 HD22 LEU 57 -9.055 -2.918 -9.342 1057 HD23 LEU 57 HD23 LEU 57 -9.676 -1.763 -10.523 1058 H ALA 58 HN ALA 58 -10.349 1.903 -6.553 1059 HA ALA 58 HA ALA 58 -8.634 1.265 -4.418 1060 HB1 ALA 58 HB1 ALA 58 -9.845 3.951 -5.062 1061 HB2 ALA 58 HB2 ALA 58 -8.386 3.287 -5.795 1062 HB3 ALA 58 HB3 ALA 58 -8.415 3.657 -4.071 1063 H GLN 59 HN GLN 59 -11.850 2.811 -4.415 1064 HA GLN 59 HA GLN 59 -12.089 3.003 -1.618 1065 HB2 GLN 59 HB2 GLN 59 -14.269 2.714 -3.695 1066 HB3 GLN 59 HB1 GLN 59 -14.519 3.217 -2.029 1067 HG2 GLN 59 HG2 GLN 59 -13.127 5.186 -2.414 1068 HG3 GLN 59 HG1 GLN 59 -12.883 4.682 -4.085 1069 HE21 GLN 59 HE21 GLN 59 -13.794 6.553 -4.893 1070 HE22 GLN 59 HE22 GLN 59 -15.494 6.860 -4.831 1071 H ALA 60 HN ALA 60 -13.201 0.515 -3.881 1072 HA ALA 60 HA ALA 60 -14.469 -1.156 -2.036 1073 HB1 ALA 60 HB1 ALA 60 -14.274 -2.901 -3.723 1074 HB2 ALA 60 HB2 ALA 60 -13.079 -1.939 -4.597 1075 HB3 ALA 60 HB3 ALA 60 -14.743 -1.368 -4.455 1076 H PHE 61 HN PHE 61 -11.122 -1.278 -3.259 1077 HA PHE 61 HA PHE 61 -10.345 -3.554 -1.796 1078 HD1 PHE 61 HD2 PHE 61 -8.434 -4.982 -2.844 1079 HD2 PHE 61 HD1 PHE 61 -6.615 -1.347 -1.567 1080 HE1 PHE 61 HE2 PHE 61 -6.463 -6.240 -2.073 1081 HE2 PHE 61 HE1 PHE 61 -4.645 -2.599 -0.797 1082 HZ PHE 61 HZ PHE 61 -4.564 -5.045 -1.052 1083 HB2 PHE 61 HB2 PHE 61 -9.092 -2.635 -3.734 1084 HB3 PHE 61 HB1 PHE 61 -8.609 -1.264 -2.744 1085 H SER 62 HN SER 62 -10.132 -0.095 -1.058 1086 HA SER 62 HA SER 62 -8.650 -0.322 1.313 1087 HG SER 62 HG SER 62 -8.861 1.498 2.637 1088 HB2 SER 62 HB2 SER 62 -9.031 1.802 0.076 1089 HB3 SER 62 HB1 SER 62 -10.708 1.789 0.621 1090 H ASN 63 HN ASN 63 -12.175 -0.128 0.818 1091 HA ASN 63 HA ASN 63 -12.853 -0.424 3.542 1092 HB2 ASN 63 HB2 ASN 63 -14.440 -1.028 1.043 1093 HB3 ASN 63 HB1 ASN 63 -15.111 -1.082 2.669 1094 HD21 ASN 63 HD21 ASN 63 -15.827 0.600 0.404 1095 HD22 ASN 63 HD22 ASN 63 -15.642 2.233 0.948 1096 H SER 64 HN SER 64 -12.223 -2.737 0.979 1097 HA SER 64 HA SER 64 -13.123 -5.038 2.336 1098 HG SER 64 HG SER 64 -13.018 -6.810 0.614 1099 HB2 SER 64 HB2 SER 64 -12.494 -4.789 -0.148 1100 HB3 SER 64 HB1 SER 64 -10.827 -5.023 0.377 1101 H LEU 65 HN LEU 65 -10.116 -3.231 2.417 1102 HA LEU 65 HA LEU 65 -8.625 -5.083 3.952 1103 HG LEU 65 HG LEU 65 -7.949 -3.061 1.618 1104 HB2 LEU 65 HB2 LEU 65 -8.391 -2.077 3.800 1105 HB3 LEU 65 HB1 LEU 65 -7.209 -3.137 4.542 1106 HD11 LEU 65 HD11 LEU 65 -5.644 -2.277 1.326 1107 HD12 LEU 65 HD12 LEU 65 -5.441 -2.244 3.078 1108 HD13 LEU 65 HD13 LEU 65 -6.602 -1.166 2.303 1109 HD21 LEU 65 HD21 LEU 65 -5.945 -4.776 3.077 1110 HD22 LEU 65 HD22 LEU 65 -6.139 -4.684 1.326 1111 HD23 LEU 65 HD23 LEU 65 -7.441 -5.330 2.326 1112 H ILE 66 HN ILE 66 -10.781 -2.418 4.802 1113 HA ILE 66 HA ILE 66 -10.425 -2.502 7.596 1114 HB ILE 66 HB ILE 66 -13.100 -1.899 6.351 1115 HG12 ILE 66 HG12 ILE 66 -11.455 -0.774 4.922 1116 HG13 ILE 66 HG11 ILE 66 -12.352 0.393 5.883 1117 HG21 ILE 66 HG21 ILE 66 -13.186 -0.194 8.119 1118 HG22 ILE 66 HG22 ILE 66 -11.589 -0.697 8.668 1119 HG23 ILE 66 HG23 ILE 66 -12.947 -1.815 8.771 1120 HD11 ILE 66 HD11 ILE 66 -9.991 0.955 5.732 1121 HD12 ILE 66 HD12 ILE 66 -9.571 -0.591 6.473 1122 HD13 ILE 66 HD13 ILE 66 -10.466 0.616 7.397 1123 H ASN 67 HN ASN 67 -12.600 -4.200 5.405 1124 HA ASN 67 HA ASN 67 -13.976 -5.743 7.326 1125 HB2 ASN 67 HB2 ASN 67 -14.871 -5.524 5.095 1126 HB3 ASN 67 HB1 ASN 67 -13.421 -6.231 4.391 1127 HD21 ASN 67 HD21 ASN 67 -13.166 -8.437 4.386 1128 HD22 ASN 67 HD22 ASN 67 -14.417 -9.529 4.858 1129 H ALA 68 HN ALA 68 -10.985 -6.278 5.528 1130 HA ALA 68 HA ALA 68 -10.558 -8.954 6.277 1131 HB1 ALA 68 HB1 ALA 68 -9.346 -7.847 4.448 1132 HB2 ALA 68 HB2 ALA 68 -8.249 -8.608 5.602 1133 HB3 ALA 68 HB3 ALA 68 -8.484 -6.858 5.627 1134 H VAL 69 HN VAL 69 -9.564 -5.908 7.803 1135 HA VAL 69 HA VAL 69 -8.091 -6.975 9.935 1136 HB VAL 69 HB VAL 69 -9.841 -4.503 9.920 1137 HG11 VAL 69 HG11 VAL 69 -9.343 -5.219 12.200 1138 HG12 VAL 69 HG12 VAL 69 -8.462 -3.743 11.800 1139 HG13 VAL 69 HG13 VAL 69 -7.624 -5.296 11.810 1140 HG21 VAL 69 HG21 VAL 69 -7.730 -3.310 9.515 1141 HG22 VAL 69 HG22 VAL 69 -8.128 -4.425 8.207 1142 HG23 VAL 69 HG23 VAL 69 -6.893 -4.857 9.390 1143 H LYS 70 HN LYS 70 -11.546 -6.226 9.682 1144 HA LYS 70 HA LYS 70 -12.362 -7.091 12.213 1145 HB2 LYS 70 HB2 LYS 70 -13.787 -5.790 10.708 1146 HB3 LYS 70 HB1 LYS 70 -13.844 -7.131 9.574 1147 HG2 LYS 70 HG2 LYS 70 -14.953 -8.480 11.369 1148 HG3 LYS 70 HG1 LYS 70 -15.060 -6.999 12.322 1149 HD2 LYS 70 HD2 LYS 70 -16.237 -7.397 9.570 1150 HD3 LYS 70 HD1 LYS 70 -17.138 -7.460 11.084 1151 HE2 LYS 70 HE2 LYS 70 -16.608 -5.140 11.533 1152 HE3 LYS 70 HE1 LYS 70 -15.604 -5.064 10.085 1153 HZ1 LYS 70 HZ1 LYS 70 -17.767 -4.092 9.685 1154 HZ2 LYS 70 HZ2 LYS 70 -18.541 -5.529 10.147 1155 HZ3 LYS 70 HZ3 LYS 70 -17.580 -5.492 8.746 1156 H THR 71 HN THR 71 -12.032 -8.851 9.160 1157 HA THR 71 HA THR 71 -13.133 -11.291 10.112 1158 HB THR 71 HB THR 71 -11.267 -10.914 7.764 1159 HG1 THR 71 HG1 THR 71 -13.082 -9.512 7.616 1160 HG21 THR 71 HG21 THR 71 -13.390 -12.998 8.312 1161 HG22 THR 71 HG22 THR 71 -11.647 -13.255 8.388 1162 HG23 THR 71 HG23 THR 71 -12.414 -12.874 6.846 1163 H ARG 72 HN ARG 72 -9.873 -9.981 10.021 1164 HA ARG 72 HA ARG 72 -8.601 -12.479 10.638 1165 HE ARG 72 HE ARG 72 -6.233 -11.897 13.240 1166 HB2 ARG 72 HB2 ARG 72 -7.575 -10.458 9.432 1167 HB3 ARG 72 HB1 ARG 72 -7.399 -9.744 11.028 1168 HG2 ARG 72 HG2 ARG 72 -6.345 -12.434 10.953 1169 HG3 ARG 72 HG1 ARG 72 -5.597 -11.406 9.732 1170 HD2 ARG 72 HD2 ARG 72 -4.262 -11.172 11.654 1171 HD3 ARG 72 HD1 ARG 72 -5.242 -9.710 11.586 1172 HH11 ARG 72 HH11 ARG 72 -4.648 -8.775 13.061 1173 HH12 ARG 72 HH12 ARG 72 -4.824 -8.451 14.756 1174 HH21 ARG 72 HH21 ARG 72 -6.452 -11.497 15.459 1175 HH22 ARG 72 HH22 ARG 72 -5.848 -10.011 16.133 1176 H LEU 73 HN LEU 73 -9.780 -9.709 12.444 1177 HA LEU 73 HA LEU 73 -8.635 -10.537 14.940 1178 HG LEU 73 HG LEU 73 -9.454 -9.207 16.896 1179 HB2 LEU 73 HB2 LEU 73 -9.154 -8.184 14.427 1180 HB3 LEU 73 HB1 LEU 73 -10.859 -8.573 14.355 1181 HD11 LEU 73 HD11 LEU 73 -10.147 -6.392 16.055 1182 HD12 LEU 73 HD12 LEU 73 -8.523 -7.021 16.342 1183 HD13 LEU 73 HD13 LEU 73 -9.669 -6.896 17.677 1184 HD21 LEU 73 HD21 LEU 73 -12.129 -7.983 16.214 1185 HD22 LEU 73 HD22 LEU 73 -11.576 -8.404 17.836 1186 HD23 LEU 73 HD23 LEU 73 -11.831 -9.670 16.634 1187 H GLU 74 HN GLU 74 -11.438 -11.308 13.141 1188 HA GLU 74 HA GLU 74 -13.135 -12.239 15.194 1189 HB2 GLU 74 HB2 GLU 74 -13.504 -11.835 12.597 1190 HB3 GLU 74 HB1 GLU 74 -13.084 -13.537 12.496 1191 HG2 GLU 74 HG2 GLU 74 -15.326 -12.399 14.149 1192 HG3 GLU 74 HG1 GLU 74 -15.507 -13.125 12.556 1193 H HIS 75 HN HIS 75 -12.643 -13.789 16.593 1194 HA HIS 75 HA HIS 75 -10.641 -15.774 16.037 1195 HD1 HIS 75 HD1 HIS 75 -14.271 -15.431 18.651 1196 HD2 HIS 75 HD2 HIS 75 -10.864 -13.133 19.308 1197 HE1 HIS 75 HE1 HIS 75 -15.043 -13.422 19.954 1198 HE2 HIS 75 HE2 HIS 75 -12.999 -11.963 20.184 1199 HB2 HIS 75 HB2 HIS 75 -11.916 -16.673 18.317 1200 HB3 HIS 75 HB1 HIS 75 -10.501 -15.633 18.272 1201 H HIS 76 HN HIS 76 -11.376 -16.901 14.289 1202 HA HIS 76 HA HIS 76 -14.087 -17.900 14.217 1203 HD1 HIS 76 HD1 HIS 76 -15.354 -16.738 12.228 1204 HD2 HIS 76 HD2 HIS 76 -13.546 -20.068 10.506 1205 HE1 HIS 76 HE1 HIS 76 -17.058 -17.695 10.637 1206 HE2 HIS 76 HE2 HIS 76 -15.827 -19.526 9.418 1207 HB2 HIS 76 HB2 HIS 76 -12.593 -16.912 12.292 1208 HB3 HIS 76 HB1 HIS 76 -12.025 -18.573 12.163 1209 H HIS 77 HN HIS 77 -11.187 -19.011 15.406 1210 HA HIS 77 HA HIS 77 -10.679 -20.925 16.534 1211 HD1 HIS 77 HD1 HIS 77 -15.262 -20.906 16.434 1212 HD2 HIS 77 HD2 HIS 77 -12.007 -20.608 19.011 1213 HE1 HIS 77 HE1 HIS 77 -16.090 -19.621 18.428 1214 HE2 HIS 77 HE2 HIS 77 -14.061 -19.280 19.879 1215 HB2 HIS 77 HB2 HIS 77 -13.300 -22.064 15.543 1216 HB3 HIS 77 HB1 HIS 77 -12.281 -22.736 16.808 1217 H HIS 78 HN HIS 78 -8.981 -21.863 15.641 1218 HA HIS 78 HA HIS 78 -9.360 -23.408 13.166 1219 HD1 HIS 78 HD1 HIS 78 -7.725 -23.628 10.941 1220 HD2 HIS 78 HD2 HIS 78 -4.785 -23.926 13.863 1221 HE1 HIS 78 HE1 HIS 78 -5.970 -25.149 9.982 1222 HE2 HIS 78 HE2 HIS 78 -4.305 -25.472 11.849 1223 HB2 HIS 78 HB2 HIS 78 -7.650 -21.689 12.969 1224 HB3 HIS 78 HB1 HIS 78 -6.841 -22.281 14.412 1225 H HIS 79 HN HIS 79 -9.486 -23.898 16.341 1226 HA HIS 79 HA HIS 79 -8.486 -26.634 16.097 1227 HD1 HIS 79 HD1 HIS 79 -8.179 -26.846 20.242 1228 HD2 HIS 79 HD2 HIS 79 -5.727 -27.792 17.010 1229 HE1 HIS 79 HE1 HIS 79 -7.038 -29.003 20.856 1230 HE2 HIS 79 HE2 HIS 79 -5.433 -29.460 18.964 1231 HB2 HIS 79 HB2 HIS 79 -6.786 -25.149 17.263 1232 HB3 HIS 79 HB1 HIS 79 -7.965 -24.958 18.556 1233 H HIS 80 HN HIS 80 -10.041 -28.001 16.642 1234 HA HIS 80 HA HIS 80 -12.322 -27.022 18.166 1235 HD1 HIS 80 HD1 HIS 80 -13.463 -31.331 17.709 1236 HD2 HIS 80 HD2 HIS 80 -15.103 -27.506 17.720 1237 HE1 HIS 80 HE1 HIS 80 -15.800 -31.594 18.600 1238 HE2 HIS 80 HE2 HIS 80 -16.843 -29.314 18.347 1239 HB2 HIS 80 HB2 HIS 80 -12.712 -28.257 16.053 1240 HB3 HIS 80 HB1 HIS 80 -11.917 -29.666 16.745 Start of MODEL 17 1 HA MET 1 HA MET 1 8.374 11.261 22.450 2 H1 MET 1 HT1 MET 1 8.845 11.782 24.761 3 H2 MET 1 HT2 MET 1 10.411 12.276 24.338 4 H3 MET 1 HT3 MET 1 9.941 10.663 24.116 5 HB2 MET 1 HB2 MET 1 8.300 13.619 21.633 6 HB3 MET 1 HB1 MET 1 7.656 13.408 23.255 7 HG2 MET 1 HG2 MET 1 9.778 14.235 24.181 8 HG3 MET 1 HG1 MET 1 10.370 14.496 22.541 9 HE1 MET 1 HE1 MET 1 7.783 15.529 21.047 10 HE2 MET 1 HE2 MET 1 9.354 16.311 20.866 11 HE3 MET 1 HE3 MET 1 7.927 17.276 21.243 12 H ALA 2 HN ALA 2 9.294 10.368 20.751 13 HA ALA 2 HA ALA 2 12.000 11.263 19.997 14 HB1 ALA 2 HB1 ALA 2 11.816 8.883 20.592 15 HB2 ALA 2 HB2 ALA 2 12.282 9.112 18.905 16 HB3 ALA 2 HB3 ALA 2 10.624 8.667 19.309 17 H GLN 3 HN GLN 3 11.637 12.922 18.607 18 HA GLN 3 HA GLN 3 10.099 12.279 16.183 19 HB2 GLN 3 HB2 GLN 3 10.167 14.949 17.602 20 HB3 GLN 3 HB1 GLN 3 9.401 14.647 16.049 21 HG2 GLN 3 HG2 GLN 3 7.915 13.004 17.172 22 HG3 GLN 3 HG1 GLN 3 8.622 13.491 18.714 23 HE21 GLN 3 HE21 GLN 3 8.020 15.694 16.068 24 HE22 GLN 3 HE22 GLN 3 6.744 16.577 16.835 25 H HIS 4 HN HIS 4 10.770 13.409 14.286 26 HA HIS 4 HA HIS 4 12.206 14.300 12.788 27 HD1 HIS 4 HD1 HIS 4 16.043 15.473 13.493 28 HD2 HIS 4 HD2 HIS 4 12.623 17.344 12.028 29 HE1 HIS 4 HE1 HIS 4 16.809 16.874 11.551 30 HE2 HIS 4 HE2 HIS 4 14.746 18.084 10.746 31 HB2 HIS 4 HB2 HIS 4 12.527 16.097 14.568 32 HB3 HIS 4 HB1 HIS 4 13.994 15.236 15.029 33 H SER 5 HN SER 5 13.550 12.371 15.380 34 HA SER 5 HA SER 5 15.928 11.523 14.218 35 HG SER 5 HG SER 5 15.953 8.789 16.480 36 HB2 SER 5 HB2 SER 5 15.399 10.937 16.503 37 HB3 SER 5 HB1 SER 5 13.976 10.031 15.991 38 H LYS 6 HN LYS 6 16.175 10.783 12.247 39 HA LYS 6 HA LYS 6 16.057 9.467 10.402 40 HB2 LYS 6 HB2 LYS 6 13.776 7.963 11.689 41 HB3 LYS 6 HB1 LYS 6 14.767 7.440 10.337 42 HG2 LYS 6 HG2 LYS 6 16.694 7.246 11.795 43 HG3 LYS 6 HG1 LYS 6 15.745 7.850 13.155 44 HD2 LYS 6 HD2 LYS 6 15.357 5.271 11.643 45 HD3 LYS 6 HD1 LYS 6 15.843 5.465 13.327 46 HE2 LYS 6 HE2 LYS 6 13.169 6.211 12.144 47 HE3 LYS 6 HE1 LYS 6 13.497 4.815 13.165 48 HZ1 LYS 6 HZ1 LYS 6 14.111 6.348 14.959 49 HZ2 LYS 6 HZ2 LYS 6 12.505 6.576 14.449 50 HZ3 LYS 6 HZ3 LYS 6 13.711 7.668 13.970 51 H TYR 7 HN TYR 7 13.473 11.253 11.634 52 HA TYR 7 HA TYR 7 11.707 10.937 9.379 53 HD1 TYR 7 HD2 TYR 7 9.081 10.686 10.101 54 HD2 TYR 7 HD1 TYR 7 11.510 11.249 13.548 55 HE1 TYR 7 HE2 TYR 7 7.844 8.903 11.260 56 HE2 TYR 7 HE1 TYR 7 10.282 9.469 14.716 57 HH TYR 7 HH TYR 7 8.317 7.273 13.151 58 HB2 TYR 7 HB2 TYR 7 11.639 12.787 11.766 59 HB3 TYR 7 HB1 TYR 7 10.420 12.798 10.497 60 H SER 8 HN SER 8 13.873 11.570 8.169 61 HA SER 8 HA SER 8 13.840 14.445 7.659 62 HG SER 8 HG SER 8 15.556 13.284 9.097 63 HB2 SER 8 HB2 SER 8 15.800 12.358 6.695 64 HB3 SER 8 HB1 SER 8 15.956 14.108 6.508 65 H ASP 9 HN ASP 9 13.014 15.239 5.823 66 HA ASP 9 HA ASP 9 11.353 13.754 4.155 67 HB2 ASP 9 HB2 ASP 9 12.856 16.294 3.450 68 HB3 ASP 9 HB1 ASP 9 11.415 15.686 2.642 69 H ALA 10 HN ALA 10 14.773 14.316 4.072 70 HA ALA 10 HA ALA 10 15.155 13.274 1.413 71 HB1 ALA 10 HB1 ALA 10 16.682 14.950 2.355 72 HB2 ALA 10 HB2 ALA 10 17.530 13.475 1.895 73 HB3 ALA 10 HB3 ALA 10 17.178 13.795 3.592 74 H GLN 11 HN GLN 11 15.248 12.079 4.718 75 HA GLN 11 HA GLN 11 16.490 9.580 4.073 76 HB2 GLN 11 HB2 GLN 11 15.993 10.872 6.398 77 HB3 GLN 11 HB1 GLN 11 14.654 9.734 6.403 78 HG2 GLN 11 HG2 GLN 11 17.583 9.056 6.250 79 HG3 GLN 11 HG1 GLN 11 16.527 8.850 7.644 80 HE21 GLN 11 HE21 GLN 11 17.508 7.602 4.584 81 HE22 GLN 11 HE22 GLN 11 16.629 6.119 4.666 82 H LEU 12 HN LEU 12 13.155 10.628 4.640 83 HA LEU 12 HA LEU 12 11.856 8.207 4.187 84 HG LEU 12 HG LEU 12 9.481 9.437 2.438 85 HB2 LEU 12 HB2 LEU 12 10.691 10.115 5.119 86 HB3 LEU 12 HB1 LEU 12 10.932 11.030 3.643 87 HD11 LEU 12 HD11 LEU 12 8.119 7.850 3.721 88 HD12 LEU 12 HD12 LEU 12 9.033 8.255 5.175 89 HD13 LEU 12 HD13 LEU 12 9.839 7.469 3.817 90 HD21 LEU 12 HD21 LEU 12 8.197 10.646 4.881 91 HD22 LEU 12 HD22 LEU 12 7.372 10.175 3.394 92 HD23 LEU 12 HD23 LEU 12 8.547 11.493 3.374 93 H SER 13 HN SER 13 12.600 10.819 1.879 94 HA SER 13 HA SER 13 11.410 9.710 -0.369 95 HG SER 13 HG SER 13 12.113 12.494 0.665 96 HB2 SER 13 HB2 SER 13 13.881 11.453 -0.229 97 HB3 SER 13 HB1 SER 13 12.943 11.140 -1.689 98 H ALA 14 HN ALA 14 14.676 9.196 0.908 99 HA ALA 14 HA ALA 14 15.686 7.662 -1.201 100 HB1 ALA 14 HB1 ALA 14 16.350 7.450 1.732 101 HB2 ALA 14 HB2 ALA 14 17.083 8.576 0.591 102 HB3 ALA 14 HB3 ALA 14 17.329 6.841 0.399 103 H ILE 15 HN ILE 15 13.863 6.723 1.684 104 HA ILE 15 HA ILE 15 13.987 3.929 1.221 105 HB ILE 15 HB ILE 15 11.994 5.550 2.811 106 HG12 ILE 15 HG12 ILE 15 14.277 5.698 3.664 107 HG13 ILE 15 HG11 ILE 15 13.286 4.734 4.751 108 HG21 ILE 15 HG21 ILE 15 11.004 3.419 2.171 109 HG22 ILE 15 HG22 ILE 15 11.368 3.449 3.895 110 HG23 ILE 15 HG23 ILE 15 12.417 2.564 2.791 111 HD11 ILE 15 HD11 ILE 15 15.500 3.772 4.458 112 HD12 ILE 15 HD12 ILE 15 15.224 3.653 2.721 113 HD13 ILE 15 HD13 ILE 15 14.249 2.695 3.837 114 H VAL 16 HN VAL 16 11.524 6.376 0.411 115 HA VAL 16 HA VAL 16 9.669 4.558 -0.705 116 HB VAL 16 HB VAL 16 9.903 7.369 -1.737 117 HG11 VAL 16 HG11 VAL 16 7.521 5.664 -1.032 118 HG12 VAL 16 HG12 VAL 16 8.203 5.837 -2.652 119 HG13 VAL 16 HG13 VAL 16 7.495 7.233 -1.839 120 HG21 VAL 16 HG21 VAL 16 8.559 8.140 0.191 121 HG22 VAL 16 HG22 VAL 16 10.189 7.638 0.639 122 HG23 VAL 16 HG23 VAL 16 8.819 6.575 0.961 123 H ASN 17 HN ASN 17 12.275 6.485 -2.129 124 HA ASN 17 HA ASN 17 11.810 5.689 -4.809 125 HB2 ASN 17 HB2 ASN 17 14.178 6.901 -3.400 126 HB3 ASN 17 HB1 ASN 17 14.271 6.422 -5.091 127 HD21 ASN 17 HD21 ASN 17 14.592 8.536 -5.752 128 HD22 ASN 17 HD22 ASN 17 13.311 9.694 -5.778 129 H ASP 18 HN ASP 18 13.349 4.134 -2.146 130 HA ASP 18 HA ASP 18 14.958 2.357 -3.698 131 HB2 ASP 18 HB2 ASP 18 15.468 2.940 -1.317 132 HB3 ASP 18 HB1 ASP 18 14.025 2.056 -0.834 133 H MET 19 HN MET 19 11.857 2.245 -2.019 134 HA MET 19 HA MET 19 11.132 -0.384 -2.617 135 HB2 MET 19 HB2 MET 19 9.381 2.059 -2.303 136 HB3 MET 19 HB1 MET 19 8.787 0.405 -2.333 137 HG2 MET 19 HG2 MET 19 10.067 -0.102 -0.323 138 HG3 MET 19 HG1 MET 19 10.688 1.548 -0.299 139 HE1 MET 19 HE1 MET 19 7.041 0.371 -1.236 140 HE2 MET 19 HE2 MET 19 6.242 0.468 0.333 141 HE3 MET 19 HE3 MET 19 7.508 -0.727 0.062 142 H ILE 20 HN ILE 20 10.785 2.575 -4.514 143 HA ILE 20 HA ILE 20 9.354 1.418 -6.667 144 HB ILE 20 HB ILE 20 11.221 3.799 -6.727 145 HG12 ILE 20 HG12 ILE 20 8.213 3.699 -6.388 146 HG13 ILE 20 HG11 ILE 20 9.360 4.000 -5.088 147 HG21 ILE 20 HG21 ILE 20 9.051 2.951 -8.646 148 HG22 ILE 20 HG22 ILE 20 10.788 2.914 -8.953 149 HG23 ILE 20 HG23 ILE 20 9.964 4.458 -8.732 150 HD11 ILE 20 HD11 ILE 20 8.365 6.066 -5.869 151 HD12 ILE 20 HD12 ILE 20 8.927 5.736 -7.508 152 HD13 ILE 20 HD13 ILE 20 10.094 6.040 -6.220 153 H ALA 21 HN ALA 21 12.802 1.854 -6.009 154 HA ALA 21 HA ALA 21 13.755 0.779 -8.441 155 HB1 ALA 21 HB1 ALA 21 15.890 0.501 -7.259 156 HB2 ALA 21 HB2 ALA 21 15.083 0.850 -5.729 157 HB3 ALA 21 HB3 ALA 21 15.188 2.094 -6.975 158 H VAL 22 HN VAL 22 12.902 -0.658 -5.336 159 HA VAL 22 HA VAL 22 13.653 -3.310 -5.800 160 HB VAL 22 HB VAL 22 11.216 -2.322 -4.298 161 HG11 VAL 22 HG11 VAL 22 11.104 -4.703 -4.716 162 HG12 VAL 22 HG12 VAL 22 11.432 -4.402 -3.010 163 HG13 VAL 22 HG13 VAL 22 12.734 -4.916 -4.081 164 HG21 VAL 22 HG21 VAL 22 12.685 -2.483 -2.292 165 HG22 VAL 22 HG22 VAL 22 13.151 -1.206 -3.420 166 HG23 VAL 22 HG23 VAL 22 14.057 -2.724 -3.373 167 H LEU 23 HN LEU 23 10.606 -1.651 -6.468 168 HA LEU 23 HA LEU 23 9.175 -3.709 -7.664 169 HG LEU 23 HG LEU 23 7.217 -2.817 -9.133 170 HB2 LEU 23 HB2 LEU 23 8.192 -1.585 -7.014 171 HB3 LEU 23 HB1 LEU 23 9.158 -0.737 -8.198 172 HD11 LEU 23 HD11 LEU 23 5.942 -1.439 -7.571 173 HD12 LEU 23 HD12 LEU 23 5.466 -1.107 -9.236 174 HD13 LEU 23 HD13 LEU 23 6.516 0.020 -8.377 175 HD21 LEU 23 HD21 LEU 23 8.157 -0.181 -10.270 176 HD22 LEU 23 HD22 LEU 23 7.074 -1.322 -11.065 177 HD23 LEU 23 HD23 LEU 23 8.749 -1.774 -10.741 178 H GLU 24 HN GLU 24 11.391 -1.370 -9.131 179 HA GLU 24 HA GLU 24 10.994 -2.310 -11.792 180 HB2 GLU 24 HB2 GLU 24 11.758 -0.003 -11.104 181 HB3 GLU 24 HB1 GLU 24 13.328 -0.708 -10.742 182 HG2 GLU 24 HG2 GLU 24 13.539 -1.413 -13.075 183 HG3 GLU 24 HG1 GLU 24 11.972 -0.683 -13.426 184 H LYS 25 HN LYS 25 13.364 -2.928 -9.275 185 HA LYS 25 HA LYS 25 15.253 -4.344 -10.795 186 HB2 LYS 25 HB2 LYS 25 15.637 -3.462 -8.506 187 HB3 LYS 25 HB1 LYS 25 14.568 -4.702 -7.872 188 HG2 LYS 25 HG2 LYS 25 16.155 -6.387 -8.931 189 HG3 LYS 25 HG1 LYS 25 17.272 -5.035 -9.126 190 HD2 LYS 25 HD2 LYS 25 16.083 -6.007 -6.528 191 HD3 LYS 25 HD1 LYS 25 17.743 -6.258 -7.070 192 HE2 LYS 25 HE2 LYS 25 18.187 -3.894 -6.968 193 HE3 LYS 25 HE1 LYS 25 16.494 -3.552 -6.606 194 HZ1 LYS 25 HZ1 LYS 25 18.413 -5.016 -4.868 195 HZ2 LYS 25 HZ2 LYS 25 16.759 -4.826 -4.537 196 HZ3 LYS 25 HZ3 LYS 25 17.769 -3.466 -4.594 197 H HIS 26 HN HIS 26 12.490 -5.492 -8.869 198 HA HIS 26 HA HIS 26 13.037 -8.231 -9.694 199 HD1 HIS 26 HD1 HIS 26 13.009 -9.322 -6.101 200 HD2 HIS 26 HD2 HIS 26 10.421 -10.339 -9.200 201 HE1 HIS 26 HE1 HIS 26 12.788 -11.821 -6.010 202 HE2 HIS 26 HE2 HIS 26 11.426 -12.419 -8.040 203 HB2 HIS 26 HB2 HIS 26 12.197 -7.320 -7.335 204 HB3 HIS 26 HB1 HIS 26 10.620 -7.540 -8.087 205 H LYS 27 HN LYS 27 11.758 -5.809 -11.266 206 HA LYS 27 HA LYS 27 10.413 -5.589 -13.079 207 HB2 LYS 27 HB2 LYS 27 10.566 -8.609 -13.119 208 HB3 LYS 27 HB1 LYS 27 10.059 -7.591 -14.458 209 HG2 LYS 27 HG2 LYS 27 12.677 -6.887 -13.384 210 HG3 LYS 27 HG1 LYS 27 12.590 -8.526 -14.021 211 HD2 LYS 27 HD2 LYS 27 13.324 -6.947 -15.731 212 HD3 LYS 27 HD1 LYS 27 11.773 -7.669 -16.153 213 HE2 LYS 27 HE2 LYS 27 11.742 -5.090 -14.683 214 HE3 LYS 27 HE1 LYS 27 12.246 -5.060 -16.370 215 HZ1 LYS 27 HZ1 LYS 27 9.883 -4.681 -16.200 216 HZ2 LYS 27 HZ2 LYS 27 9.669 -6.120 -15.333 217 HZ3 LYS 27 HZ3 LYS 27 10.157 -6.178 -16.951 218 H ALA 28 HN ALA 28 8.929 -5.080 -11.056 219 HA ALA 28 HA ALA 28 6.580 -6.826 -11.066 220 HB1 ALA 28 HB1 ALA 28 7.236 -4.451 -9.328 221 HB2 ALA 28 HB2 ALA 28 7.443 -6.149 -8.893 222 HB3 ALA 28 HB3 ALA 28 5.826 -5.495 -9.159 223 HA PRO 29 HA PRO 29 4.706 -3.805 -13.877 224 HB2 PRO 29 HB2 PRO 29 2.553 -5.325 -14.485 225 HB3 PRO 29 HB1 PRO 29 4.132 -5.585 -15.239 226 HG2 PRO 29 HG2 PRO 29 2.843 -7.064 -12.980 227 HG3 PRO 29 HG1 PRO 29 3.762 -7.702 -14.355 228 HD2 PRO 29 HD2 PRO 29 4.825 -7.376 -11.866 229 HD3 PRO 29 HD1 PRO 29 5.788 -7.278 -13.355 230 H VAL 30 HN VAL 30 2.601 -2.679 -13.806 231 HA VAL 30 HA VAL 30 1.921 -1.854 -11.234 232 HB VAL 30 HB VAL 30 -0.066 -0.768 -12.256 233 HG11 VAL 30 HG11 VAL 30 2.097 0.339 -12.272 234 HG12 VAL 30 HG12 VAL 30 1.202 0.710 -13.746 235 HG13 VAL 30 HG13 VAL 30 2.516 -0.466 -13.785 236 HG21 VAL 30 HG21 VAL 30 -0.646 -2.467 -13.909 237 HG22 VAL 30 HG22 VAL 30 0.856 -2.150 -14.779 238 HG23 VAL 30 HG23 VAL 30 -0.387 -0.904 -14.686 239 H ASP 31 HN ASP 31 0.556 -4.408 -13.192 240 HA ASP 31 HA ASP 31 -1.767 -4.950 -11.744 241 HB2 ASP 31 HB2 ASP 31 0.083 -6.894 -13.150 242 HB3 ASP 31 HB1 ASP 31 -1.571 -7.238 -12.660 243 H LEU 32 HN LEU 32 1.339 -6.661 -11.520 244 HA LEU 32 HA LEU 32 0.525 -8.087 -9.200 245 HG LEU 32 HG LEU 32 1.451 -9.097 -11.842 246 HB2 LEU 32 HB2 LEU 32 3.191 -7.845 -10.581 247 HB3 LEU 32 HB1 LEU 32 2.905 -8.893 -9.203 248 HD11 LEU 32 HD11 LEU 32 2.786 -11.101 -12.211 249 HD12 LEU 32 HD12 LEU 32 3.683 -10.785 -10.725 250 HD13 LEU 32 HD13 LEU 32 3.805 -9.668 -12.085 251 HD21 LEU 32 HD21 LEU 32 0.139 -9.903 -9.956 252 HD22 LEU 32 HD22 LEU 32 1.487 -10.912 -9.433 253 HD23 LEU 32 HD23 LEU 32 0.677 -11.247 -10.963 254 H SER 33 HN SER 33 2.444 -5.174 -9.706 255 HA SER 33 HA SER 33 3.575 -5.119 -7.107 256 HG SER 33 HG SER 33 2.983 -3.127 -10.166 257 HB2 SER 33 HB2 SER 33 3.971 -2.694 -7.580 258 HB3 SER 33 HB1 SER 33 4.562 -3.769 -8.847 259 H LEU 34 HN LEU 34 0.571 -3.898 -8.468 260 HA LEU 34 HA LEU 34 -0.283 -2.457 -6.196 261 HG LEU 34 HG LEU 34 -3.175 -2.550 -6.290 262 HB2 LEU 34 HB2 LEU 34 -1.220 -2.407 -8.585 263 HB3 LEU 34 HB1 LEU 34 -2.112 -3.850 -8.142 264 HD11 LEU 34 HD11 LEU 34 -3.047 -0.091 -6.425 265 HD12 LEU 34 HD12 LEU 34 -1.780 -0.247 -7.646 266 HD13 LEU 34 HD13 LEU 34 -1.502 -0.833 -6.007 267 HD21 LEU 34 HD21 LEU 34 -4.302 -2.913 -8.437 268 HD22 LEU 34 HD22 LEU 34 -3.564 -1.443 -9.071 269 HD23 LEU 34 HD23 LEU 34 -4.718 -1.347 -7.741 270 H ILE 35 HN ILE 35 -0.772 -5.797 -7.264 271 HA ILE 35 HA ILE 35 -2.395 -6.590 -5.088 272 HB ILE 35 HB ILE 35 -0.552 -8.348 -6.721 273 HG12 ILE 35 HG12 ILE 35 -3.461 -7.657 -7.199 274 HG13 ILE 35 HG11 ILE 35 -2.109 -7.016 -8.126 275 HG21 ILE 35 HG21 ILE 35 -2.110 -10.138 -6.112 276 HG22 ILE 35 HG22 ILE 35 -3.034 -8.999 -5.131 277 HG23 ILE 35 HG23 ILE 35 -1.378 -9.408 -4.683 278 HD11 ILE 35 HD11 ILE 35 -3.225 -8.818 -9.311 279 HD12 ILE 35 HD12 ILE 35 -2.917 -9.911 -7.962 280 HD13 ILE 35 HD13 ILE 35 -1.569 -9.264 -8.898 281 H ALA 36 HN ALA 36 1.103 -6.599 -5.600 282 HA ALA 36 HA ALA 36 1.885 -7.911 -3.257 283 HB1 ALA 36 HB1 ALA 36 4.049 -6.816 -3.580 284 HB2 ALA 36 HB2 ALA 36 3.321 -5.709 -4.745 285 HB3 ALA 36 HB3 ALA 36 3.417 -7.433 -5.106 286 H LEU 37 HN LEU 37 1.436 -4.438 -3.909 287 HA LEU 37 HA LEU 37 1.988 -3.551 -1.301 288 HG LEU 37 HG LEU 37 2.586 -2.417 -4.111 289 HB2 LEU 37 HB2 LEU 37 0.225 -2.344 -3.433 290 HB3 LEU 37 HB1 LEU 37 0.675 -1.524 -1.949 291 HD11 LEU 37 HD11 LEU 37 1.213 -0.530 -4.798 292 HD12 LEU 37 HD12 LEU 37 2.877 -0.022 -4.509 293 HD13 LEU 37 HD13 LEU 37 1.628 0.328 -3.314 294 HD21 LEU 37 HD21 LEU 37 4.263 -1.172 -2.835 295 HD22 LEU 37 HD22 LEU 37 3.603 -2.510 -1.896 296 HD23 LEU 37 HD23 LEU 37 3.072 -0.860 -1.573 297 H GLY 38 HN GLY 38 -1.015 -4.606 -2.847 298 HA2 GLY 38 HA2 GLY 38 -2.745 -4.019 -0.692 299 HA3 GLY 38 HA1 GLY 38 -3.045 -5.203 -1.957 300 H ASN 39 HN ASN 39 -1.024 -7.017 -1.555 301 HA ASN 39 HA ASN 39 -1.951 -8.595 0.559 302 HB2 ASN 39 HB2 ASN 39 -0.575 -9.292 -1.487 303 HB3 ASN 39 HB1 ASN 39 0.838 -8.751 -0.586 304 HD21 ASN 39 HD21 ASN 39 -1.537 -11.192 -0.967 305 HD22 ASN 39 HD22 ASN 39 -0.911 -12.292 0.209 306 H MET 40 HN MET 40 0.892 -6.488 0.337 307 HA MET 40 HA MET 40 1.830 -7.066 2.961 308 HB2 MET 40 HB2 MET 40 3.247 -6.219 1.081 309 HB3 MET 40 HB1 MET 40 2.465 -4.654 1.255 310 HG2 MET 40 HG2 MET 40 4.631 -4.693 2.357 311 HG3 MET 40 HG1 MET 40 3.326 -4.448 3.515 312 HE1 MET 40 HE1 MET 40 5.162 -5.018 5.425 313 HE2 MET 40 HE2 MET 40 6.382 -5.356 4.195 314 HE3 MET 40 HE3 MET 40 6.066 -6.531 5.471 315 H ALA 41 HN ALA 41 -0.267 -4.588 1.602 316 HA ALA 41 HA ALA 41 -0.386 -2.828 3.762 317 HB1 ALA 41 HB1 ALA 41 -1.357 -2.324 1.568 318 HB2 ALA 41 HB2 ALA 41 -2.535 -2.092 2.857 319 HB3 ALA 41 HB3 ALA 41 -2.610 -3.533 1.841 320 H SER 42 HN SER 42 -2.623 -5.496 3.002 321 HA SER 42 HA SER 42 -4.094 -5.287 5.391 322 HG SER 42 HG SER 42 -3.469 -7.281 2.375 323 HB2 SER 42 HB2 SER 42 -4.832 -7.645 4.805 324 HB3 SER 42 HB1 SER 42 -5.082 -6.433 3.548 325 H ASN 43 HN ASN 43 -1.255 -7.171 4.514 326 HA ASN 43 HA ASN 43 -0.980 -8.753 6.784 327 HB2 ASN 43 HB2 ASN 43 0.406 -9.048 4.801 328 HB3 ASN 43 HB1 ASN 43 1.154 -7.477 5.057 329 HD21 ASN 43 HD21 ASN 43 3.211 -8.300 5.195 330 HD22 ASN 43 HD22 ASN 43 3.762 -9.235 6.543 331 H LEU 44 HN LEU 44 0.393 -5.515 6.167 332 HA LEU 44 HA LEU 44 1.564 -5.290 8.738 333 HG LEU 44 HG LEU 44 2.703 -4.661 5.970 334 HB2 LEU 44 HB2 LEU 44 0.877 -3.215 6.670 335 HB3 LEU 44 HB1 LEU 44 1.715 -2.841 8.164 336 HD11 LEU 44 HD11 LEU 44 3.677 -1.978 6.940 337 HD12 LEU 44 HD12 LEU 44 2.850 -2.298 5.415 338 HD13 LEU 44 HD13 LEU 44 4.452 -2.974 5.708 339 HD21 LEU 44 HD21 LEU 44 4.721 -4.898 7.290 340 HD22 LEU 44 HD22 LEU 44 3.324 -5.463 8.212 341 HD23 LEU 44 HD23 LEU 44 4.035 -3.888 8.563 342 H LEU 45 HN LEU 45 -1.537 -4.254 7.426 343 HA LEU 45 HA LEU 45 -2.328 -2.683 9.631 344 HG LEU 45 HG LEU 45 -2.653 -2.311 6.610 345 HB2 LEU 45 HB2 LEU 45 -3.963 -4.163 7.573 346 HB3 LEU 45 HB1 LEU 45 -4.650 -3.061 8.752 347 HD11 LEU 45 HD11 LEU 45 -4.852 -2.835 5.698 348 HD12 LEU 45 HD12 LEU 45 -4.523 -1.105 5.605 349 HD13 LEU 45 HD13 LEU 45 -5.603 -1.730 6.851 350 HD21 LEU 45 HD21 LEU 45 -4.138 -0.609 8.610 351 HD22 LEU 45 HD22 LEU 45 -3.119 -0.010 7.301 352 HD23 LEU 45 HD23 LEU 45 -2.407 -0.947 8.614 353 H THR 46 HN THR 46 -2.225 -6.105 9.163 354 HA THR 46 HA THR 46 -3.926 -6.510 11.519 355 HB THR 46 HB THR 46 -3.745 -8.965 10.871 356 HG1 THR 46 HG1 THR 46 -2.913 -7.936 8.354 357 HG21 THR 46 HG21 THR 46 -5.412 -8.756 9.079 358 HG22 THR 46 HG22 THR 46 -5.006 -7.047 8.912 359 HG23 THR 46 HG23 THR 46 -5.735 -7.638 10.405 360 H THR 47 HN THR 47 -0.909 -5.715 11.193 361 HA THR 47 HA THR 47 0.054 -7.650 13.193 362 HB THR 47 HB THR 47 1.772 -6.382 11.050 363 HG1 THR 47 HG1 THR 47 0.484 -7.920 10.055 364 HG21 THR 47 HG21 THR 47 3.461 -7.997 11.804 365 HG22 THR 47 HG22 THR 47 2.360 -8.559 13.062 366 HG23 THR 47 HG23 THR 47 2.983 -6.910 13.108 367 H SER 48 HN SER 48 0.538 -4.361 11.867 368 HA SER 48 HA SER 48 2.151 -3.707 14.209 369 HG SER 48 HG SER 48 2.783 -1.445 14.039 370 HB2 SER 48 HB2 SER 48 3.012 -3.140 11.969 371 HB3 SER 48 HB1 SER 48 1.629 -2.077 11.715 372 H VAL 49 HN VAL 49 -0.536 -2.125 12.435 373 HA VAL 49 HA VAL 49 -0.899 -0.196 14.492 374 HB VAL 49 HB VAL 49 -2.934 0.478 13.284 375 HG11 VAL 49 HG11 VAL 49 -1.854 1.138 11.190 376 HG12 VAL 49 HG12 VAL 49 -0.570 -0.033 11.480 377 HG13 VAL 49 HG13 VAL 49 -0.771 1.341 12.567 378 HG21 VAL 49 HG21 VAL 49 -3.727 -1.709 12.585 379 HG22 VAL 49 HG22 VAL 49 -2.341 -1.888 11.509 380 HG23 VAL 49 HG23 VAL 49 -3.548 -0.643 11.191 381 HA PRO 50 HA PRO 50 -3.549 -2.106 17.470 382 HB2 PRO 50 HB2 PRO 50 -5.546 -0.147 17.572 383 HB3 PRO 50 HB1 PRO 50 -4.080 -0.185 18.553 384 HG2 PRO 50 HG2 PRO 50 -4.653 1.342 16.060 385 HG3 PRO 50 HG1 PRO 50 -3.694 1.815 17.475 386 HD2 PRO 50 HD2 PRO 50 -2.522 1.075 15.188 387 HD3 PRO 50 HD1 PRO 50 -1.830 0.626 16.762 388 H GLN 51 HN GLN 51 -4.803 -3.772 17.016 389 HA GLN 51 HA GLN 51 -6.125 -4.033 14.541 390 HB2 GLN 51 HB2 GLN 51 -6.292 -5.720 17.038 391 HB3 GLN 51 HB1 GLN 51 -6.948 -6.185 15.472 392 HG2 GLN 51 HG2 GLN 51 -4.731 -6.153 14.500 393 HG3 GLN 51 HG1 GLN 51 -4.048 -5.597 16.026 394 HE21 GLN 51 HE21 GLN 51 -6.593 -7.976 15.857 395 HE22 GLN 51 HE22 GLN 51 -5.636 -9.317 16.377 396 H THR 52 HN THR 52 -7.232 -2.937 17.644 397 HA THR 52 HA THR 52 -10.029 -3.257 17.065 398 HB THR 52 HB THR 52 -8.791 -1.451 19.154 399 HG1 THR 52 HG1 THR 52 -9.139 -3.383 20.516 400 HG21 THR 52 HG21 THR 52 -11.196 -1.140 18.776 401 HG22 THR 52 HG22 THR 52 -10.882 -1.851 20.360 402 HG23 THR 52 HG23 THR 52 -11.460 -2.864 19.036 403 H GLN 53 HN GLN 53 -7.671 -1.108 16.019 404 HA GLN 53 HA GLN 53 -9.701 0.910 15.303 405 HB2 GLN 53 HB2 GLN 53 -8.031 1.598 17.092 406 HB3 GLN 53 HB1 GLN 53 -6.783 1.463 15.865 407 HG2 GLN 53 HG2 GLN 53 -7.831 3.214 14.566 408 HG3 GLN 53 HG1 GLN 53 -9.151 3.313 15.732 409 HE21 GLN 53 HE21 GLN 53 -8.728 5.464 16.203 410 HE22 GLN 53 HE22 GLN 53 -7.367 5.945 17.157 411 H CYS 54 HN CYS 54 -8.236 -1.532 14.081 412 HA CYS 54 HA CYS 54 -6.441 -0.655 12.118 413 HG CYS 54 HG CYS 54 -5.228 -3.685 10.844 414 HB2 CYS 54 HB2 CYS 54 -6.582 -2.978 12.892 415 HB3 CYS 54 HB1 CYS 54 -8.165 -3.138 12.140 416 H GLU 55 HN GLU 55 -9.825 -1.735 11.646 417 HA GLU 55 HA GLU 55 -9.834 -0.920 8.932 418 HB2 GLU 55 HB2 GLU 55 -12.429 -1.186 9.324 419 HB3 GLU 55 HB1 GLU 55 -11.367 -2.580 9.229 420 HG2 GLU 55 HG2 GLU 55 -12.858 -2.933 11.036 421 HG3 GLU 55 HG1 GLU 55 -11.272 -2.586 11.719 422 H ALA 56 HN ALA 56 -10.413 0.762 11.864 423 HA ALA 56 HA ALA 56 -11.838 2.965 10.762 424 HB1 ALA 56 HB1 ALA 56 -10.068 2.863 13.203 425 HB2 ALA 56 HB2 ALA 56 -11.793 2.501 13.170 426 HB3 ALA 56 HB3 ALA 56 -11.228 4.134 12.813 427 H LEU 57 HN LEU 57 -8.408 2.467 11.585 428 HA LEU 57 HA LEU 57 -7.507 4.921 10.515 429 HG LEU 57 HG LEU 57 -6.839 3.249 13.073 430 HB2 LEU 57 HB2 LEU 57 -6.007 2.337 10.958 431 HB3 LEU 57 HB1 LEU 57 -5.255 3.877 10.579 432 HD11 LEU 57 HD11 LEU 57 -4.670 2.158 13.045 433 HD12 LEU 57 HD12 LEU 57 -4.683 3.483 14.209 434 HD13 LEU 57 HD13 LEU 57 -3.887 3.688 12.649 435 HD21 LEU 57 HD21 LEU 57 -5.360 5.758 12.281 436 HD22 LEU 57 HD22 LEU 57 -6.126 5.456 13.842 437 HD23 LEU 57 HD23 LEU 57 -7.111 5.575 12.383 438 H ALA 58 HN ALA 58 -7.958 1.730 9.126 439 HA ALA 58 HA ALA 58 -6.666 2.134 6.672 440 HB1 ALA 58 HB1 ALA 58 -9.087 0.428 7.259 441 HB2 ALA 58 HB2 ALA 58 -7.403 -0.065 7.439 442 HB3 ALA 58 HB3 ALA 58 -8.050 0.297 5.838 443 H GLN 59 HN GLN 59 -10.043 2.714 7.624 444 HA GLN 59 HA GLN 59 -10.840 3.768 5.113 445 HB2 GLN 59 HB2 GLN 59 -12.000 3.827 7.877 446 HB3 GLN 59 HB1 GLN 59 -12.714 4.799 6.597 447 HG2 GLN 59 HG2 GLN 59 -12.278 1.829 6.403 448 HG3 GLN 59 HG1 GLN 59 -13.781 2.573 6.950 449 HE21 GLN 59 HE21 GLN 59 -13.224 0.885 4.615 450 HE22 GLN 59 HE22 GLN 59 -13.741 1.796 3.240 451 H ALA 60 HN ALA 60 -9.526 5.202 8.046 452 HA ALA 60 HA ALA 60 -9.824 7.905 7.387 453 HB1 ALA 60 HB1 ALA 60 -7.997 8.322 8.952 454 HB2 ALA 60 HB2 ALA 60 -7.590 6.607 8.941 455 HB3 ALA 60 HB3 ALA 60 -9.134 7.141 9.604 456 H PHE 61 HN PHE 61 -7.067 5.724 6.799 457 HA PHE 61 HA PHE 61 -5.515 7.546 5.319 458 HD1 PHE 61 HD1 PHE 61 -2.976 7.158 5.465 459 HD2 PHE 61 HD2 PHE 61 -4.493 4.016 3.023 460 HE1 PHE 61 HE1 PHE 61 -1.019 7.359 3.990 461 HE2 PHE 61 HE2 PHE 61 -2.540 4.217 1.548 462 HZ PHE 61 HZ PHE 61 -0.801 5.889 2.027 463 HB2 PHE 61 HB2 PHE 61 -4.690 5.388 6.278 464 HB3 PHE 61 HB1 PHE 61 -5.575 4.533 5.019 465 H SER 62 HN SER 62 -7.953 5.196 4.359 466 HA SER 62 HA SER 62 -7.830 5.412 1.600 467 HG SER 62 HG SER 62 -10.519 3.731 1.131 468 HB2 SER 62 HB2 SER 62 -9.222 3.769 2.761 469 HB3 SER 62 HB1 SER 62 -10.260 5.055 3.371 470 H ASN 63 HN ASN 63 -10.016 7.208 3.772 471 HA ASN 63 HA ASN 63 -11.061 8.892 1.787 472 HB2 ASN 63 HB2 ASN 63 -10.937 9.105 4.782 473 HB3 ASN 63 HB1 ASN 63 -11.629 10.398 3.810 474 HD21 ASN 63 HD21 ASN 63 -11.889 7.004 2.964 475 HD22 ASN 63 HD22 ASN 63 -13.587 6.874 3.255 476 H SER 64 HN SER 64 -8.202 9.190 3.798 477 HA SER 64 HA SER 64 -7.593 11.876 3.226 478 HG SER 64 HG SER 64 -7.183 9.890 5.469 479 HB2 SER 64 HB2 SER 64 -5.696 9.577 3.772 480 HB3 SER 64 HB1 SER 64 -5.289 11.290 3.867 481 H LEU 65 HN LEU 65 -6.752 8.850 1.571 482 HA LEU 65 HA LEU 65 -5.211 10.000 -0.492 483 HG LEU 65 HG LEU 65 -5.109 7.336 1.171 484 HB2 LEU 65 HB2 LEU 65 -6.880 7.484 -0.523 485 HB3 LEU 65 HB1 LEU 65 -5.689 7.915 -1.733 486 HD11 LEU 65 HD11 LEU 65 -5.737 5.349 -0.105 487 HD12 LEU 65 HD12 LEU 65 -4.023 5.327 0.315 488 HD13 LEU 65 HD13 LEU 65 -4.526 5.746 -1.322 489 HD21 LEU 65 HD21 LEU 65 -2.759 7.439 0.491 490 HD22 LEU 65 HD22 LEU 65 -3.571 8.987 0.260 491 HD23 LEU 65 HD23 LEU 65 -3.253 7.943 -1.126 492 H ILE 66 HN ILE 66 -8.664 9.240 -0.253 493 HA ILE 66 HA ILE 66 -9.421 9.889 -2.860 494 HB ILE 66 HB ILE 66 -11.154 10.473 -0.462 495 HG12 ILE 66 HG12 ILE 66 -10.240 8.243 -0.122 496 HG13 ILE 66 HG11 ILE 66 -11.934 8.128 -0.583 497 HG21 ILE 66 HG21 ILE 66 -12.047 11.191 -2.599 498 HG22 ILE 66 HG22 ILE 66 -12.973 9.820 -1.983 499 HG23 ILE 66 HG23 ILE 66 -11.793 9.579 -3.270 500 HD11 ILE 66 HD11 ILE 66 -11.275 7.540 -2.852 501 HD12 ILE 66 HD12 ILE 66 -10.595 6.423 -1.666 502 HD13 ILE 66 HD13 ILE 66 -9.575 7.666 -2.393 503 H ASN 67 HN ASN 67 -9.202 11.929 0.031 504 HA ASN 67 HA ASN 67 -10.068 14.314 -1.253 505 HB2 ASN 67 HB2 ASN 67 -10.258 14.161 1.135 506 HB3 ASN 67 HB1 ASN 67 -8.540 13.824 1.314 507 HD21 ASN 67 HD21 ASN 67 -7.094 15.492 1.343 508 HD22 ASN 67 HD22 ASN 67 -7.564 17.160 1.345 509 H ALA 68 HN ALA 68 -6.903 12.852 -0.713 510 HA ALA 68 HA ALA 68 -5.320 15.034 -1.535 511 HB1 ALA 68 HB1 ALA 68 -4.406 13.103 -0.344 512 HB2 ALA 68 HB2 ALA 68 -3.536 13.397 -1.849 513 HB3 ALA 68 HB3 ALA 68 -4.710 12.085 -1.751 514 H VAL 69 HN VAL 69 -6.485 12.198 -3.352 515 HA VAL 69 HA VAL 69 -5.547 13.059 -5.877 516 HB VAL 69 HB VAL 69 -7.892 11.244 -5.254 517 HG11 VAL 69 HG11 VAL 69 -7.561 10.357 -7.511 518 HG12 VAL 69 HG12 VAL 69 -6.294 11.552 -7.796 519 HG13 VAL 69 HG13 VAL 69 -7.960 12.075 -7.549 520 HG21 VAL 69 HG21 VAL 69 -6.305 9.412 -5.610 521 HG22 VAL 69 HG22 VAL 69 -5.815 10.438 -4.263 522 HG23 VAL 69 HG23 VAL 69 -5.003 10.582 -5.822 523 H LYS 70 HN LYS 70 -8.451 13.681 -4.044 524 HA LYS 70 HA LYS 70 -10.067 14.811 -6.018 525 HB2 LYS 70 HB2 LYS 70 -10.393 14.262 -3.407 526 HB3 LYS 70 HB1 LYS 70 -10.149 16.001 -3.303 527 HG2 LYS 70 HG2 LYS 70 -12.516 15.382 -3.432 528 HG3 LYS 70 HG1 LYS 70 -12.011 16.384 -4.796 529 HD2 LYS 70 HD2 LYS 70 -11.969 14.539 -6.264 530 HD3 LYS 70 HD1 LYS 70 -12.049 13.383 -4.934 531 HE2 LYS 70 HE2 LYS 70 -14.305 14.055 -4.433 532 HE3 LYS 70 HE1 LYS 70 -14.240 15.307 -5.675 533 HZ1 LYS 70 HZ1 LYS 70 -13.940 12.401 -6.217 534 HZ2 LYS 70 HZ2 LYS 70 -14.059 13.644 -7.367 535 HZ3 LYS 70 HZ3 LYS 70 -15.395 13.261 -6.398 536 H THR 71 HN THR 71 -7.522 16.228 -4.026 537 HA THR 71 HA THR 71 -7.978 18.876 -5.093 538 HB THR 71 HB THR 71 -5.672 17.877 -3.411 539 HG1 THR 71 HG1 THR 71 -7.809 17.683 -2.430 540 HG21 THR 71 HG21 THR 71 -6.690 20.674 -3.935 541 HG22 THR 71 HG22 THR 71 -5.209 19.977 -4.591 542 HG23 THR 71 HG23 THR 71 -5.365 20.245 -2.854 543 H ARG 72 HN ARG 72 -5.784 16.193 -5.581 544 HA ARG 72 HA ARG 72 -3.881 17.360 -7.252 545 HE ARG 72 HE ARG 72 -1.803 17.349 -8.753 546 HB2 ARG 72 HB2 ARG 72 -3.774 15.049 -6.323 547 HB3 ARG 72 HB1 ARG 72 -5.039 14.570 -7.445 548 HG2 ARG 72 HG2 ARG 72 -3.113 13.852 -8.495 549 HG3 ARG 72 HG1 ARG 72 -3.426 15.407 -9.272 550 HD2 ARG 72 HD2 ARG 72 -1.571 15.030 -6.936 551 HD3 ARG 72 HD1 ARG 72 -1.046 15.018 -8.616 552 HH11 ARG 72 HH11 ARG 72 -1.319 15.982 -5.561 553 HH12 ARG 72 HH12 ARG 72 -1.013 17.514 -4.808 554 HH21 ARG 72 HH21 ARG 72 -1.374 19.365 -7.763 555 HH22 ARG 72 HH22 ARG 72 -0.994 19.427 -6.065 556 H LEU 73 HN LEU 73 -6.856 15.650 -8.095 557 HA LEU 73 HA LEU 73 -6.762 16.449 -10.843 558 HG LEU 73 HG LEU 73 -9.866 16.280 -11.283 559 HB2 LEU 73 HB2 LEU 73 -7.823 14.359 -10.159 560 HB3 LEU 73 HB1 LEU 73 -8.994 15.248 -9.202 561 HD11 LEU 73 HD11 LEU 73 -9.232 15.335 -13.440 562 HD12 LEU 73 HD12 LEU 73 -8.001 14.347 -12.653 563 HD13 LEU 73 HD13 LEU 73 -7.856 16.104 -12.651 564 HD21 LEU 73 HD21 LEU 73 -9.847 13.265 -11.267 565 HD22 LEU 73 HD22 LEU 73 -11.024 14.291 -12.087 566 HD23 LEU 73 HD23 LEU 73 -10.923 14.298 -10.326 567 H GLU 74 HN GLU 74 -8.882 17.314 -8.106 568 HA GLU 74 HA GLU 74 -10.353 18.995 -7.750 569 HB2 GLU 74 HB2 GLU 74 -8.477 20.502 -7.931 570 HB3 GLU 74 HB1 GLU 74 -8.541 20.446 -9.688 571 HG2 GLU 74 HG2 GLU 74 -10.882 21.425 -9.466 572 HG3 GLU 74 HG1 GLU 74 -10.450 21.765 -7.791 573 H HIS 75 HN HIS 75 -9.560 19.488 -11.123 574 HA HIS 75 HA HIS 75 -11.551 18.496 -12.601 575 HD1 HIS 75 HD1 HIS 75 -15.054 18.609 -12.109 576 HD2 HIS 75 HD2 HIS 75 -13.167 21.406 -14.546 577 HE1 HIS 75 HE1 HIS 75 -16.457 18.760 -14.192 578 HE2 HIS 75 HE2 HIS 75 -15.385 20.577 -15.575 579 HB2 HIS 75 HB2 HIS 75 -13.132 19.722 -10.970 580 HB3 HIS 75 HB1 HIS 75 -12.543 21.216 -11.690 581 H HIS 76 HN HIS 76 -9.376 20.876 -11.716 582 HA HIS 76 HA HIS 76 -7.910 22.195 -12.801 583 HD1 HIS 76 HD1 HIS 76 -5.790 22.178 -13.598 584 HD2 HIS 76 HD2 HIS 76 -7.441 22.264 -17.420 585 HE1 HIS 76 HE1 HIS 76 -4.092 23.337 -15.047 586 HE2 HIS 76 HE2 HIS 76 -5.215 23.582 -17.288 587 HB2 HIS 76 HB2 HIS 76 -7.903 20.253 -14.489 588 HB3 HIS 76 HB1 HIS 76 -8.990 21.245 -15.453 589 H HIS 77 HN HIS 77 -9.170 23.816 -11.869 590 HA HIS 77 HA HIS 77 -11.529 24.855 -12.914 591 HD1 HIS 77 HD1 HIS 77 -9.577 28.600 -11.058 592 HD2 HIS 77 HD2 HIS 77 -7.799 24.849 -10.669 593 HE1 HIS 77 HE1 HIS 77 -7.192 29.033 -10.381 594 HE2 HIS 77 HE2 HIS 77 -6.111 26.764 -10.250 595 HB2 HIS 77 HB2 HIS 77 -11.194 26.769 -11.435 596 HB3 HIS 77 HB1 HIS 77 -10.797 25.269 -10.612 597 H HIS 78 HN HIS 78 -11.868 25.724 -14.808 598 HA HIS 78 HA HIS 78 -10.236 28.051 -15.518 599 HD1 HIS 78 HD1 HIS 78 -9.671 24.142 -17.112 600 HD2 HIS 78 HD2 HIS 78 -13.252 25.904 -18.274 601 HE1 HIS 78 HE1 HIS 78 -11.136 22.249 -17.881 602 HE2 HIS 78 HE2 HIS 78 -13.241 23.348 -18.719 603 HB2 HIS 78 HB2 HIS 78 -10.834 27.488 -17.973 604 HB3 HIS 78 HB1 HIS 78 -9.515 26.617 -17.206 605 H HIS 79 HN HIS 79 -12.669 27.686 -14.020 606 HA HIS 79 HA HIS 79 -14.358 29.510 -15.585 607 HD1 HIS 79 HD1 HIS 79 -14.781 25.247 -14.099 608 HD2 HIS 79 HD2 HIS 79 -16.324 28.346 -11.782 609 HE1 HIS 79 HE1 HIS 79 -15.050 24.305 -11.781 610 HE2 HIS 79 HE2 HIS 79 -15.944 26.202 -10.384 611 HB2 HIS 79 HB2 HIS 79 -16.376 28.520 -14.660 612 HB3 HIS 79 HB1 HIS 79 -15.441 27.272 -15.471 613 H HIS 80 HN HIS 80 -12.231 29.571 -13.391 614 HA HIS 80 HA HIS 80 -13.254 31.669 -11.805 615 HD1 HIS 80 HD1 HIS 80 -11.589 29.965 -8.349 616 HD2 HIS 80 HD2 HIS 80 -15.086 32.058 -9.198 617 HE1 HIS 80 HE1 HIS 80 -11.980 31.474 -6.373 618 HE2 HIS 80 HE2 HIS 80 -14.205 32.568 -6.821 619 HB2 HIS 80 HB2 HIS 80 -14.446 29.749 -10.715 620 HB3 HIS 80 HB1 HIS 80 -12.881 29.034 -10.351 621 HA MET 1 HA MET 1 14.463 -14.450 -20.203 622 H1 MET 1 HT1 MET 1 13.905 -12.451 -22.311 623 H2 MET 1 HT2 MET 1 14.520 -14.002 -22.613 624 H3 MET 1 HT3 MET 1 15.417 -12.907 -21.686 625 HB2 MET 1 HB2 MET 1 12.746 -11.960 -20.153 626 HB3 MET 1 HB1 MET 1 13.114 -13.011 -18.793 627 HG2 MET 1 HG2 MET 1 15.056 -11.262 -20.284 628 HG3 MET 1 HG1 MET 1 14.411 -10.986 -18.667 629 HE1 MET 1 HE1 MET 1 16.076 -13.836 -16.587 630 HE2 MET 1 HE2 MET 1 14.471 -13.819 -17.319 631 HE3 MET 1 HE3 MET 1 15.096 -12.371 -16.528 632 H ALA 2 HN ALA 2 13.159 -16.131 -20.160 633 HA ALA 2 HA ALA 2 11.070 -16.396 -22.092 634 HB1 ALA 2 HB1 ALA 2 12.518 -18.263 -21.467 635 HB2 ALA 2 HB2 ALA 2 10.815 -18.647 -21.212 636 HB3 ALA 2 HB3 ALA 2 11.843 -18.240 -19.838 637 H GLN 3 HN GLN 3 11.158 -15.349 -18.822 638 HA GLN 3 HA GLN 3 8.556 -16.098 -18.038 639 HB2 GLN 3 HB2 GLN 3 10.535 -14.096 -17.043 640 HB3 GLN 3 HB1 GLN 3 8.876 -13.999 -16.472 641 HG2 GLN 3 HG2 GLN 3 10.080 -15.262 -14.886 642 HG3 GLN 3 HG1 GLN 3 9.069 -16.394 -15.779 643 HE21 GLN 3 HE21 GLN 3 12.288 -15.351 -15.096 644 HE22 GLN 3 HE22 GLN 3 13.102 -16.689 -15.834 645 H HIS 4 HN HIS 4 7.026 -15.650 -19.500 646 HA HIS 4 HA HIS 4 6.342 -12.802 -19.786 647 HD1 HIS 4 HD1 HIS 4 7.969 -15.283 -23.074 648 HD2 HIS 4 HD2 HIS 4 7.229 -11.325 -22.022 649 HE1 HIS 4 HE1 HIS 4 9.801 -13.938 -24.149 650 HE2 HIS 4 HE2 HIS 4 9.167 -11.536 -23.716 651 HB2 HIS 4 HB2 HIS 4 5.890 -15.043 -21.771 652 HB3 HIS 4 HB1 HIS 4 5.131 -13.461 -21.894 653 H SER 5 HN SER 5 5.089 -12.852 -17.917 654 HA SER 5 HA SER 5 2.682 -14.522 -18.082 655 HG SER 5 HG SER 5 5.343 -14.671 -15.109 656 HB2 SER 5 HB2 SER 5 2.871 -14.710 -15.540 657 HB3 SER 5 HB1 SER 5 4.023 -15.650 -16.486 658 H LYS 6 HN LYS 6 0.900 -13.754 -16.773 659 HA LYS 6 HA LYS 6 0.841 -10.825 -16.574 660 HB2 LYS 6 HB2 LYS 6 -1.266 -12.941 -16.885 661 HB3 LYS 6 HB1 LYS 6 -1.693 -11.367 -16.231 662 HG2 LYS 6 HG2 LYS 6 -0.976 -10.280 -18.256 663 HG3 LYS 6 HG1 LYS 6 -0.387 -11.812 -18.907 664 HD2 LYS 6 HD2 LYS 6 -2.556 -12.676 -19.140 665 HD3 LYS 6 HD1 LYS 6 -3.249 -11.457 -18.069 666 HE2 LYS 6 HE2 LYS 6 -2.012 -10.835 -20.745 667 HE3 LYS 6 HE1 LYS 6 -3.735 -11.129 -20.507 668 HZ1 LYS 6 HZ1 LYS 6 -2.114 -8.927 -19.342 669 HZ2 LYS 6 HZ2 LYS 6 -3.708 -9.269 -18.878 670 HZ3 LYS 6 HZ3 LYS 6 -3.375 -8.791 -20.470 671 H TYR 7 HN TYR 7 -0.184 -13.738 -14.809 672 HA TYR 7 HA TYR 7 0.187 -12.288 -12.299 673 HD1 TYR 7 HD2 TYR 7 -1.305 -10.634 -11.378 674 HD2 TYR 7 HD1 TYR 7 -3.736 -12.535 -14.306 675 HE1 TYR 7 HE2 TYR 7 -2.335 -8.471 -11.915 676 HE2 TYR 7 HE1 TYR 7 -4.779 -10.377 -14.851 677 HH TYR 7 HH TYR 7 -3.513 -7.413 -13.866 678 HB2 TYR 7 HB2 TYR 7 -2.309 -13.826 -13.040 679 HB3 TYR 7 HB1 TYR 7 -1.940 -13.245 -11.420 680 H SER 8 HN SER 8 2.072 -13.548 -12.129 681 HA SER 8 HA SER 8 1.729 -16.385 -11.629 682 HG SER 8 HG SER 8 3.992 -17.483 -11.692 683 HB2 SER 8 HB2 SER 8 3.659 -15.665 -12.988 684 HB3 SER 8 HB1 SER 8 4.213 -14.650 -11.658 685 H ASP 9 HN ASP 9 1.095 -16.921 -9.643 686 HA ASP 9 HA ASP 9 1.242 -15.145 -7.429 687 HB2 ASP 9 HB2 ASP 9 0.320 -16.906 -6.113 688 HB3 ASP 9 HB1 ASP 9 -0.414 -17.051 -7.706 689 H ALA 10 HN ALA 10 3.483 -17.155 -8.925 690 HA ALA 10 HA ALA 10 5.131 -17.570 -6.556 691 HB1 ALA 10 HB1 ALA 10 5.697 -18.188 -9.459 692 HB2 ALA 10 HB2 ALA 10 5.073 -19.324 -8.261 693 HB3 ALA 10 HB3 ALA 10 6.700 -18.666 -8.088 694 H GLN 11 HN GLN 11 5.048 -15.639 -9.498 695 HA GLN 11 HA GLN 11 7.479 -14.244 -8.925 696 HB2 GLN 11 HB2 GLN 11 6.517 -14.433 -11.209 697 HB3 GLN 11 HB1 GLN 11 5.181 -13.408 -10.706 698 HG2 GLN 11 HG2 GLN 11 6.625 -11.540 -10.410 699 HG3 GLN 11 HG1 GLN 11 8.061 -12.540 -10.639 700 HE21 GLN 11 HE21 GLN 11 7.189 -10.168 -12.091 701 HE22 GLN 11 HE22 GLN 11 7.049 -10.646 -13.745 702 H LEU 12 HN LEU 12 4.042 -13.669 -8.327 703 HA LEU 12 HA LEU 12 4.195 -11.076 -7.315 704 HG LEU 12 HG LEU 12 2.372 -11.455 -4.818 705 HB2 LEU 12 HB2 LEU 12 2.046 -12.123 -7.749 706 HB3 LEU 12 HB1 LEU 12 2.342 -13.319 -6.499 707 HD11 LEU 12 HD11 LEU 12 1.386 -9.317 -5.462 708 HD12 LEU 12 HD12 LEU 12 1.372 -9.835 -7.149 709 HD13 LEU 12 HD13 LEU 12 2.905 -9.625 -6.303 710 HD21 LEU 12 HD21 LEU 12 0.384 -12.828 -5.117 711 HD22 LEU 12 HD22 LEU 12 -0.171 -11.764 -6.410 712 HD23 LEU 12 HD23 LEU 12 -0.051 -11.154 -4.756 713 H SER 13 HN SER 13 4.231 -14.139 -5.479 714 HA SER 13 HA SER 13 4.635 -12.990 -2.977 715 HG SER 13 HG SER 13 4.577 -16.154 -4.841 716 HB2 SER 13 HB2 SER 13 5.632 -15.287 -2.397 717 HB3 SER 13 HB1 SER 13 3.969 -15.247 -2.989 718 H ALA 14 HN ALA 14 6.999 -14.069 -5.384 719 HA ALA 14 HA ALA 14 9.318 -13.587 -3.898 720 HB1 ALA 14 HB1 ALA 14 8.920 -13.329 -6.876 721 HB2 ALA 14 HB2 ALA 14 9.326 -14.809 -6.007 722 HB3 ALA 14 HB3 ALA 14 10.472 -13.469 -6.050 723 H ILE 15 HN ILE 15 7.266 -11.399 -5.740 724 HA ILE 15 HA ILE 15 9.047 -9.161 -5.577 725 HB ILE 15 HB ILE 15 6.100 -9.306 -6.234 726 HG12 ILE 15 HG12 ILE 15 8.489 -8.854 -8.035 727 HG13 ILE 15 HG11 ILE 15 7.692 -10.408 -7.816 728 HG21 ILE 15 HG21 ILE 15 6.608 -7.108 -5.357 729 HG22 ILE 15 HG22 ILE 15 6.354 -7.016 -7.100 730 HG23 ILE 15 HG23 ILE 15 7.990 -6.967 -6.444 731 HD11 ILE 15 HD11 ILE 15 6.952 -9.349 -9.856 732 HD12 ILE 15 HD12 ILE 15 6.448 -7.918 -8.958 733 HD13 ILE 15 HD13 ILE 15 5.618 -9.453 -8.707 734 H VAL 16 HN VAL 16 6.054 -10.081 -3.848 735 HA VAL 16 HA VAL 16 5.983 -7.823 -2.156 736 HB VAL 16 HB VAL 16 5.006 -10.494 -1.188 737 HG11 VAL 16 HG11 VAL 16 3.215 -9.182 -0.237 738 HG12 VAL 16 HG12 VAL 16 3.806 -7.733 -1.050 739 HG13 VAL 16 HG13 VAL 16 4.771 -8.487 0.223 740 HG21 VAL 16 HG21 VAL 16 3.653 -8.834 -3.312 741 HG22 VAL 16 HG22 VAL 16 2.935 -10.210 -2.474 742 HG23 VAL 16 HG23 VAL 16 4.334 -10.448 -3.520 743 H ASN 17 HN ASN 17 7.392 -11.036 -1.770 744 HA ASN 17 HA ASN 17 8.404 -10.689 0.840 745 HB2 ASN 17 HB2 ASN 17 8.127 -12.887 -0.230 746 HB3 ASN 17 HB1 ASN 17 9.384 -12.485 -1.390 747 HD21 ASN 17 HD21 ASN 17 10.643 -14.203 -0.818 748 HD22 ASN 17 HD22 ASN 17 11.502 -14.291 0.686 749 H ASP 18 HN ASP 18 9.619 -9.786 -2.309 750 HA ASP 18 HA ASP 18 12.301 -9.270 -1.559 751 HB2 ASP 18 HB2 ASP 18 11.159 -9.423 -3.936 752 HB3 ASP 18 HB1 ASP 18 10.925 -7.693 -3.708 753 H MET 19 HN MET 19 9.395 -7.281 -1.809 754 HA MET 19 HA MET 19 10.493 -4.847 -0.955 755 HB2 MET 19 HB2 MET 19 7.688 -5.921 -0.604 756 HB3 MET 19 HB1 MET 19 8.161 -4.253 -0.314 757 HG2 MET 19 HG2 MET 19 8.801 -4.022 -2.658 758 HG3 MET 19 HG1 MET 19 8.330 -5.695 -2.949 759 HE1 MET 19 HE1 MET 19 7.245 -3.187 -4.632 760 HE2 MET 19 HE2 MET 19 5.541 -3.617 -4.782 761 HE3 MET 19 HE3 MET 19 6.782 -4.857 -4.961 762 H ILE 20 HN ILE 20 9.032 -7.506 0.881 763 HA ILE 20 HA ILE 20 9.278 -6.361 3.437 764 HB ILE 20 HB ILE 20 9.441 -9.290 2.688 765 HG12 ILE 20 HG12 ILE 20 7.057 -7.626 3.538 766 HG13 ILE 20 HG11 ILE 20 7.380 -8.168 1.895 767 HG21 ILE 20 HG21 ILE 20 8.811 -7.976 5.330 768 HG22 ILE 20 HG22 ILE 20 10.275 -8.876 4.937 769 HG23 ILE 20 HG23 ILE 20 8.719 -9.705 4.997 770 HD11 ILE 20 HD11 ILE 20 5.709 -9.557 2.973 771 HD12 ILE 20 HD12 ILE 20 6.847 -9.942 4.266 772 HD13 ILE 20 HD13 ILE 20 7.166 -10.486 2.619 773 H ALA 21 HN ALA 21 11.468 -8.470 1.611 774 HA ALA 21 HA ALA 21 13.456 -8.714 3.566 775 HB1 ALA 21 HB1 ALA 21 14.897 -9.492 1.775 776 HB2 ALA 21 HB2 ALA 21 13.775 -8.853 0.574 777 HB3 ALA 21 HB3 ALA 21 13.284 -10.185 1.620 778 H VAL 22 HN VAL 22 13.082 -6.332 0.952 779 HA VAL 22 HA VAL 22 15.603 -5.103 1.479 780 HB VAL 22 HB VAL 22 14.900 -3.302 -0.005 781 HG11 VAL 22 HG11 VAL 22 14.565 -4.629 -2.030 782 HG12 VAL 22 HG12 VAL 22 14.146 -6.031 -1.044 783 HG13 VAL 22 HG13 VAL 22 15.775 -5.356 -0.974 784 HG21 VAL 22 HG21 VAL 22 12.706 -3.300 -1.061 785 HG22 VAL 22 HG22 VAL 22 12.558 -3.134 0.688 786 HG23 VAL 22 HG23 VAL 22 12.219 -4.684 -0.084 787 H LEU 23 HN LEU 23 12.361 -4.634 2.711 788 HA LEU 23 HA LEU 23 12.898 -2.152 4.001 789 HG LEU 23 HG LEU 23 10.421 -2.985 2.434 790 HB2 LEU 23 HB2 LEU 23 10.799 -4.262 4.488 791 HB3 LEU 23 HB1 LEU 23 10.886 -2.774 5.410 792 HD11 LEU 23 HD11 LEU 23 8.498 -3.701 3.726 793 HD12 LEU 23 HD12 LEU 23 8.185 -2.134 2.979 794 HD13 LEU 23 HD13 LEU 23 8.577 -2.230 4.695 795 HD21 LEU 23 HD21 LEU 23 10.046 -0.574 2.520 796 HD22 LEU 23 HD22 LEU 23 11.688 -0.976 3.025 797 HD23 LEU 23 HD23 LEU 23 10.469 -0.559 4.231 798 H GLU 24 HN GLU 24 13.208 -5.534 4.914 799 HA GLU 24 HA GLU 24 14.063 -4.916 7.596 800 HB2 GLU 24 HB2 GLU 24 14.197 -7.493 6.025 801 HB3 GLU 24 HB1 GLU 24 14.597 -7.333 7.730 802 HG2 GLU 24 HG2 GLU 24 12.272 -6.574 8.146 803 HG3 GLU 24 HG1 GLU 24 11.906 -6.910 6.454 804 H LYS 25 HN LYS 25 15.529 -5.183 4.507 805 HA LYS 25 HA LYS 25 18.168 -5.816 5.324 806 HB2 LYS 25 HB2 LYS 25 17.204 -5.992 2.984 807 HB3 LYS 25 HB1 LYS 25 17.386 -4.248 2.865 808 HG2 LYS 25 HG2 LYS 25 19.226 -5.486 1.804 809 HG3 LYS 25 HG1 LYS 25 19.773 -4.429 3.106 810 HD2 LYS 25 HD2 LYS 25 20.879 -6.633 3.152 811 HD3 LYS 25 HD1 LYS 25 19.948 -6.314 4.614 812 HE2 LYS 25 HE2 LYS 25 19.594 -8.595 3.903 813 HE3 LYS 25 HE1 LYS 25 18.104 -7.674 3.714 814 HZ1 LYS 25 HZ1 LYS 25 18.552 -9.122 1.821 815 HZ2 LYS 25 HZ2 LYS 25 20.012 -8.306 1.521 816 HZ3 LYS 25 HZ3 LYS 25 18.530 -7.490 1.358 817 H HIS 26 HN HIS 26 16.505 -2.750 4.691 818 HA HIS 26 HA HIS 26 18.717 -1.249 5.847 819 HD1 HIS 26 HD1 HIS 26 19.138 1.685 4.829 820 HD2 HIS 26 HD2 HIS 26 15.419 1.585 6.698 821 HE1 HIS 26 HE1 HIS 26 18.917 3.881 6.030 822 HE2 HIS 26 HE2 HIS 26 16.732 3.735 7.283 823 HB2 HIS 26 HB2 HIS 26 17.539 -0.211 3.990 824 HB3 HIS 26 HB1 HIS 26 15.997 -0.388 4.818 825 H LYS 27 HN LYS 27 15.924 -2.856 6.777 826 HA LYS 27 HA LYS 27 14.456 -2.795 8.479 827 HB2 LYS 27 HB2 LYS 27 15.627 -2.981 10.749 828 HB3 LYS 27 HB1 LYS 27 15.943 -4.201 9.531 829 HG2 LYS 27 HG2 LYS 27 18.049 -2.961 8.971 830 HG3 LYS 27 HG1 LYS 27 17.738 -1.948 10.385 831 HD2 LYS 27 HD2 LYS 27 17.819 -3.870 11.838 832 HD3 LYS 27 HD1 LYS 27 17.966 -4.955 10.455 833 HE2 LYS 27 HE2 LYS 27 20.128 -4.665 11.467 834 HE3 LYS 27 HE1 LYS 27 20.118 -3.877 9.891 835 HZ1 LYS 27 HZ1 LYS 27 19.838 -1.752 10.964 836 HZ2 LYS 27 HZ2 LYS 27 21.192 -2.540 11.619 837 HZ3 LYS 27 HZ3 LYS 27 19.737 -2.490 12.489 838 H ALA 28 HN ALA 28 13.502 -0.832 7.959 839 HA ALA 28 HA ALA 28 14.066 1.336 9.862 840 HB1 ALA 28 HB1 ALA 28 13.998 2.007 7.504 841 HB2 ALA 28 HB2 ALA 28 12.661 2.727 8.403 842 HB3 ALA 28 HB3 ALA 28 12.373 1.337 7.356 843 HA PRO 29 HA PRO 29 10.488 0.206 12.143 844 HB2 PRO 29 HB2 PRO 29 9.449 2.585 12.928 845 HB3 PRO 29 HB1 PRO 29 10.935 1.914 13.607 846 HG2 PRO 29 HG2 PRO 29 10.588 4.024 11.523 847 HG3 PRO 29 HG1 PRO 29 11.750 3.946 12.861 848 HD2 PRO 29 HD2 PRO 29 12.373 3.316 10.284 849 HD3 PRO 29 HD1 PRO 29 13.191 2.603 11.687 850 H VAL 30 HN VAL 30 8.156 0.229 12.167 851 HA VAL 30 HA VAL 30 7.114 -0.009 9.583 852 HB VAL 30 HB VAL 30 5.505 0.282 12.121 853 HG11 VAL 30 HG11 VAL 30 4.878 -1.108 9.516 854 HG12 VAL 30 HG12 VAL 30 4.180 0.414 10.070 855 HG13 VAL 30 HG13 VAL 30 3.848 -1.079 10.947 856 HG21 VAL 30 HG21 VAL 30 7.208 -1.421 12.427 857 HG22 VAL 30 HG22 VAL 30 6.742 -2.186 10.907 858 HG23 VAL 30 HG23 VAL 30 5.618 -2.169 12.266 859 H ASP 31 HN ASP 31 7.224 2.730 11.738 860 HA ASP 31 HA ASP 31 5.018 4.130 10.641 861 HB2 ASP 31 HB2 ASP 31 6.170 6.164 11.668 862 HB3 ASP 31 HB1 ASP 31 5.718 4.868 12.767 863 H LEU 32 HN LEU 32 8.513 4.748 10.165 864 HA LEU 32 HA LEU 32 8.203 6.480 7.994 865 HG LEU 32 HG LEU 32 10.066 6.673 10.255 866 HB2 LEU 32 HB2 LEU 32 10.471 4.688 8.822 867 HB3 LEU 32 HB1 LEU 32 10.582 5.745 7.429 868 HD11 LEU 32 HD11 LEU 32 12.571 6.790 8.585 869 HD12 LEU 32 HD12 LEU 32 12.312 5.755 9.990 870 HD13 LEU 32 HD13 LEU 32 12.356 7.509 10.180 871 HD21 LEU 32 HD21 LEU 32 10.507 8.900 9.325 872 HD22 LEU 32 HD22 LEU 32 9.099 8.148 8.575 873 HD23 LEU 32 HD23 LEU 32 10.637 8.195 7.713 874 H SER 33 HN SER 33 8.619 2.969 8.073 875 HA SER 33 HA SER 33 8.916 2.642 5.287 876 HG SER 33 HG SER 33 9.822 1.042 8.115 877 HB2 SER 33 HB2 SER 33 7.907 0.608 7.291 878 HB3 SER 33 HB1 SER 33 8.638 0.271 5.722 879 H LEU 34 HN LEU 34 6.081 2.827 7.358 880 HA LEU 34 HA LEU 34 4.260 1.942 5.317 881 HG LEU 34 HG LEU 34 1.684 2.990 6.167 882 HB2 LEU 34 HB2 LEU 34 3.915 1.854 7.859 883 HB3 LEU 34 HB1 LEU 34 3.522 3.559 7.744 884 HD11 LEU 34 HD11 LEU 34 0.973 0.637 6.025 885 HD12 LEU 34 HD12 LEU 34 2.439 0.160 6.886 886 HD13 LEU 34 HD13 LEU 34 2.555 0.908 5.292 887 HD21 LEU 34 HD21 LEU 34 0.189 2.051 7.864 888 HD22 LEU 34 HD22 LEU 34 1.227 3.306 8.541 889 HD23 LEU 34 HD23 LEU 34 1.584 1.607 8.846 890 H ILE 35 HN ILE 35 5.443 5.034 6.520 891 HA ILE 35 HA ILE 35 3.691 6.689 5.045 892 HB ILE 35 HB ILE 35 6.512 7.270 5.983 893 HG12 ILE 35 HG12 ILE 35 3.840 7.987 7.214 894 HG13 ILE 35 HG11 ILE 35 4.894 6.697 7.780 895 HG21 ILE 35 HG21 ILE 35 5.852 8.791 4.203 896 HG22 ILE 35 HG22 ILE 35 5.894 9.635 5.751 897 HG23 ILE 35 HG23 ILE 35 4.348 9.158 5.049 898 HD11 ILE 35 HD11 ILE 35 6.619 8.345 8.309 899 HD12 ILE 35 HD12 ILE 35 5.112 8.672 9.165 900 HD13 ILE 35 HD13 ILE 35 5.551 9.635 7.754 901 H ALA 36 HN ALA 36 6.812 5.226 4.278 902 HA ALA 36 HA ALA 36 7.180 6.334 1.733 903 HB1 ALA 36 HB1 ALA 36 8.649 4.423 1.318 904 HB2 ALA 36 HB2 ALA 36 7.998 3.605 2.739 905 HB3 ALA 36 HB3 ALA 36 8.923 5.095 2.926 906 H LEU 37 HN LEU 37 5.589 3.326 2.750 907 HA LEU 37 HA LEU 37 4.711 2.492 0.226 908 HG LEU 37 HG LEU 37 3.120 0.589 0.288 909 HB2 LEU 37 HB2 LEU 37 4.717 1.127 2.317 910 HB3 LEU 37 HB1 LEU 37 3.350 2.060 2.889 911 HD11 LEU 37 HD11 LEU 37 2.317 -1.380 1.512 912 HD12 LEU 37 HD12 LEU 37 2.801 -0.623 3.031 913 HD13 LEU 37 HD13 LEU 37 4.022 -1.056 1.834 914 HD21 LEU 37 HD21 LEU 37 0.778 0.437 0.968 915 HD22 LEU 37 HD22 LEU 37 1.327 2.113 0.979 916 HD23 LEU 37 HD23 LEU 37 1.162 1.228 2.496 917 H GLY 38 HN GLY 38 3.236 4.645 2.620 918 HA2 GLY 38 HA2 GLY 38 0.782 5.067 1.314 919 HA3 GLY 38 HA1 GLY 38 1.542 6.185 2.438 920 H ASN 39 HN ASN 39 3.806 6.956 1.136 921 HA ASN 39 HA ASN 39 2.892 8.811 -0.766 922 HB2 ASN 39 HB2 ASN 39 5.602 7.878 0.100 923 HB3 ASN 39 HB1 ASN 39 5.461 8.907 -1.321 924 HD21 ASN 39 HD21 ASN 39 5.017 8.713 2.137 925 HD22 ASN 39 HD22 ASN 39 4.887 10.421 2.408 926 H MET 40 HN MET 40 4.465 5.666 -1.147 927 HA MET 40 HA MET 40 4.726 5.804 -3.977 928 HB2 MET 40 HB2 MET 40 6.049 4.263 -2.600 929 HB3 MET 40 HB1 MET 40 4.589 3.404 -2.131 930 HG2 MET 40 HG2 MET 40 4.247 2.728 -4.457 931 HG3 MET 40 HG1 MET 40 5.723 3.579 -4.916 932 HE1 MET 40 HE1 MET 40 6.700 -0.223 -5.206 933 HE2 MET 40 HE2 MET 40 6.581 1.316 -6.061 934 HE3 MET 40 HE3 MET 40 5.117 0.478 -5.546 935 H ALA 41 HN ALA 41 2.239 4.433 -1.842 936 HA ALA 41 HA ALA 41 0.562 3.315 -3.765 937 HB1 ALA 41 HB1 ALA 41 -1.248 3.592 -2.140 938 HB2 ALA 41 HB2 ALA 41 -0.248 4.706 -1.208 939 HB3 ALA 41 HB3 ALA 41 0.222 3.013 -1.356 940 H SER 42 HN SER 42 0.493 6.589 -2.396 941 HA SER 42 HA SER 42 -1.505 7.646 -4.033 942 HG SER 42 HG SER 42 -0.052 8.105 -1.207 943 HB2 SER 42 HB2 SER 42 0.906 9.113 -2.933 944 HB3 SER 42 HB1 SER 42 -0.646 9.820 -3.383 945 H ASN 43 HN ASN 43 2.009 7.588 -4.424 946 HA ASN 43 HA ASN 43 2.332 9.040 -6.738 947 HB2 ASN 43 HB2 ASN 43 4.192 8.243 -5.375 948 HB3 ASN 43 HB1 ASN 43 3.844 6.581 -5.828 949 HD21 ASN 43 HD21 ASN 43 3.704 9.284 -8.038 950 HD22 ASN 43 HD22 ASN 43 5.058 8.805 -9.006 951 H LEU 44 HN LEU 44 1.704 5.547 -6.467 952 HA LEU 44 HA LEU 44 1.796 5.077 -9.259 953 HG LEU 44 HG LEU 44 2.924 3.558 -6.749 954 HB2 LEU 44 HB2 LEU 44 0.514 3.469 -7.055 955 HB3 LEU 44 HB1 LEU 44 0.719 2.911 -8.704 956 HD11 LEU 44 HD11 LEU 44 2.022 0.954 -7.967 957 HD12 LEU 44 HD12 LEU 44 1.792 1.456 -6.290 958 HD13 LEU 44 HD13 LEU 44 3.419 1.172 -6.911 959 HD21 LEU 44 HD21 LEU 44 4.450 2.772 -8.484 960 HD22 LEU 44 HD22 LEU 44 3.552 4.193 -9.022 961 HD23 LEU 44 HD23 LEU 44 3.096 2.591 -9.600 962 H LEU 45 HN LEU 45 -0.932 5.559 -7.020 963 HA LEU 45 HA LEU 45 -2.857 5.107 -9.101 964 HG LEU 45 HG LEU 45 -3.809 3.564 -7.910 965 HB2 LEU 45 HB2 LEU 45 -3.042 5.869 -6.221 966 HB3 LEU 45 HB1 LEU 45 -4.452 6.006 -7.259 967 HD11 LEU 45 HD11 LEU 45 -2.633 3.787 -5.155 968 HD12 LEU 45 HD12 LEU 45 -1.765 3.423 -6.646 969 HD13 LEU 45 HD13 LEU 45 -2.948 2.277 -6.014 970 HD21 LEU 45 HD21 LEU 45 -5.344 2.739 -6.172 971 HD22 LEU 45 HD22 LEU 45 -5.930 4.216 -6.937 972 HD23 LEU 45 HD23 LEU 45 -5.197 4.283 -5.334 973 H THR 46 HN THR 46 -0.972 7.687 -8.446 974 HA THR 46 HA THR 46 -2.942 9.486 -9.694 975 HB THR 46 HB THR 46 -1.437 11.367 -8.995 976 HG1 THR 46 HG1 THR 46 -0.242 9.455 -7.266 977 HG21 THR 46 HG21 THR 46 -2.515 9.633 -6.767 978 HG22 THR 46 HG22 THR 46 -3.441 10.804 -7.709 979 HG23 THR 46 HG23 THR 46 -2.143 11.353 -6.650 980 H THR 47 HN THR 47 -0.666 7.471 -10.718 981 HA THR 47 HA THR 47 0.191 9.303 -12.843 982 HB THR 47 HB THR 47 2.100 7.444 -11.418 983 HG1 THR 47 HG1 THR 47 1.840 9.098 -10.023 984 HG21 THR 47 HG21 THR 47 2.672 7.828 -13.766 985 HG22 THR 47 HG22 THR 47 3.820 8.634 -12.700 986 HG23 THR 47 HG23 THR 47 2.567 9.571 -13.516 987 H SER 48 HN SER 48 -0.171 5.899 -11.820 988 HA SER 48 HA SER 48 0.082 5.185 -14.674 989 HG SER 48 HG SER 48 0.634 2.411 -14.320 990 HB2 SER 48 HB2 SER 48 2.135 4.631 -13.373 991 HB3 SER 48 HB1 SER 48 1.165 3.552 -12.370 992 H VAL 49 HN VAL 49 -2.340 5.566 -13.011 993 HA VAL 49 HA VAL 49 -3.480 2.882 -13.459 994 HB VAL 49 HB VAL 49 -5.123 3.290 -11.707 995 HG11 VAL 49 HG11 VAL 49 -2.311 3.744 -10.720 996 HG12 VAL 49 HG12 VAL 49 -3.052 2.184 -11.069 997 HG13 VAL 49 HG13 VAL 49 -3.665 3.174 -9.746 998 HG21 VAL 49 HG21 VAL 49 -4.942 5.227 -10.212 999 HG22 VAL 49 HG22 VAL 49 -5.291 5.707 -11.873 1000 HG23 VAL 49 HG23 VAL 49 -3.659 5.882 -11.227 1001 HA PRO 50 HA PRO 50 -6.631 4.624 -16.135 1002 HB2 PRO 50 HB2 PRO 50 -8.671 3.927 -14.071 1003 HB3 PRO 50 HB1 PRO 50 -8.654 3.570 -15.802 1004 HG2 PRO 50 HG2 PRO 50 -8.088 1.672 -14.022 1005 HG3 PRO 50 HG1 PRO 50 -7.202 1.777 -15.554 1006 HD2 PRO 50 HD2 PRO 50 -6.340 2.545 -12.808 1007 HD3 PRO 50 HD1 PRO 50 -5.386 1.873 -14.144 1008 H GLN 51 HN GLN 51 -6.535 6.772 -16.229 1009 HA GLN 51 HA GLN 51 -6.400 8.482 -14.030 1010 HB2 GLN 51 HB2 GLN 51 -7.071 9.131 -16.903 1011 HB3 GLN 51 HB1 GLN 51 -6.570 10.298 -15.687 1012 HG2 GLN 51 HG2 GLN 51 -4.403 9.328 -15.534 1013 HG3 GLN 51 HG1 GLN 51 -4.885 7.956 -16.528 1014 HE21 GLN 51 HE21 GLN 51 -6.397 9.609 -18.395 1015 HE22 GLN 51 HE22 GLN 51 -5.213 10.429 -19.365 1016 H THR 52 HN THR 52 -9.132 7.773 -16.189 1017 HA THR 52 HA THR 52 -10.803 9.717 -14.837 1018 HB THR 52 HB THR 52 -11.693 7.729 -16.931 1019 HG1 THR 52 HG1 THR 52 -11.204 9.972 -18.147 1020 HG21 THR 52 HG21 THR 52 -13.464 9.007 -15.806 1021 HG22 THR 52 HG22 THR 52 -13.308 9.487 -17.496 1022 HG23 THR 52 HG23 THR 52 -12.645 10.512 -16.223 1023 H GLN 53 HN GLN 53 -9.875 6.607 -14.181 1024 HA GLN 53 HA GLN 53 -12.380 6.034 -12.739 1025 HB2 GLN 53 HB2 GLN 53 -12.006 4.626 -14.808 1026 HB3 GLN 53 HB1 GLN 53 -10.586 3.962 -14.019 1027 HG2 GLN 53 HG2 GLN 53 -11.928 2.972 -12.301 1028 HG3 GLN 53 HG1 GLN 53 -13.375 3.774 -12.909 1029 HE21 GLN 53 HE21 GLN 53 -12.706 3.339 -15.681 1030 HE22 GLN 53 HE22 GLN 53 -12.985 1.664 -16.011 1031 H CYS 54 HN CYS 54 -9.748 7.291 -12.036 1032 HA CYS 54 HA CYS 54 -8.169 5.519 -10.532 1033 HG CYS 54 HG CYS 54 -8.641 9.598 -11.821 1034 HB2 CYS 54 HB2 CYS 54 -7.321 7.665 -9.457 1035 HB3 CYS 54 HB1 CYS 54 -7.177 7.553 -11.208 1036 H GLU 55 HN GLU 55 -10.556 7.922 -9.414 1037 HA GLU 55 HA GLU 55 -10.475 7.252 -6.708 1038 HB2 GLU 55 HB2 GLU 55 -12.750 8.365 -8.353 1039 HB3 GLU 55 HB1 GLU 55 -12.764 8.263 -6.599 1040 HG2 GLU 55 HG2 GLU 55 -10.787 9.726 -6.524 1041 HG3 GLU 55 HG1 GLU 55 -10.857 9.874 -8.281 1042 H ALA 56 HN ALA 56 -12.257 5.820 -9.363 1043 HA ALA 56 HA ALA 56 -14.040 4.252 -7.862 1044 HB1 ALA 56 HB1 ALA 56 -12.887 3.690 -10.592 1045 HB2 ALA 56 HB2 ALA 56 -14.332 4.642 -10.251 1046 HB3 ALA 56 HB3 ALA 56 -14.307 2.917 -9.888 1047 H LEU 57 HN LEU 57 -10.886 3.396 -9.305 1048 HA LEU 57 HA LEU 57 -10.811 0.795 -8.203 1049 HG LEU 57 HG LEU 57 -9.529 -0.281 -9.981 1050 HB2 LEU 57 HB2 LEU 57 -8.818 2.608 -9.465 1051 HB3 LEU 57 HB1 LEU 57 -8.212 1.251 -8.539 1052 HD11 LEU 57 HD11 LEU 57 -11.266 1.287 -10.674 1053 HD12 LEU 57 HD12 LEU 57 -10.466 0.550 -12.064 1054 HD13 LEU 57 HD13 LEU 57 -10.072 2.203 -11.594 1055 HD21 LEU 57 HD21 LEU 57 -8.076 -0.084 -11.934 1056 HD22 LEU 57 HD22 LEU 57 -7.175 0.164 -10.438 1057 HD23 LEU 57 HD23 LEU 57 -7.624 1.547 -11.436 1058 H ALA 58 HN ALA 58 -9.579 3.904 -7.065 1059 HA ALA 58 HA ALA 58 -8.079 3.008 -4.892 1060 HB1 ALA 58 HB1 ALA 58 -8.331 5.253 -3.981 1061 HB2 ALA 58 HB2 ALA 58 -9.656 5.570 -5.099 1062 HB3 ALA 58 HB3 ALA 58 -8.024 5.313 -5.717 1063 H GLN 59 HN GLN 59 -11.491 4.028 -4.968 1064 HA GLN 59 HA GLN 59 -11.963 3.442 -2.232 1065 HB2 GLN 59 HB2 GLN 59 -13.918 3.712 -4.524 1066 HB3 GLN 59 HB1 GLN 59 -14.355 3.674 -2.822 1067 HG2 GLN 59 HG2 GLN 59 -13.160 5.732 -2.430 1068 HG3 GLN 59 HG1 GLN 59 -12.594 5.751 -4.098 1069 HE21 GLN 59 HE21 GLN 59 -14.049 6.217 -5.749 1070 HE22 GLN 59 HE22 GLN 59 -15.564 7.004 -5.443 1071 H ALA 60 HN ALA 60 -12.417 1.620 -5.231 1072 HA ALA 60 HA ALA 60 -13.839 -0.551 -4.154 1073 HB1 ALA 60 HB1 ALA 60 -11.943 -0.551 -6.499 1074 HB2 ALA 60 HB2 ALA 60 -13.657 -0.141 -6.560 1075 HB3 ALA 60 HB3 ALA 60 -13.157 -1.780 -6.143 1076 H PHE 61 HN PHE 61 -10.347 -0.215 -4.810 1077 HA PHE 61 HA PHE 61 -9.594 -2.706 -3.733 1078 HD1 PHE 61 HD1 PHE 61 -7.454 -3.355 -5.611 1079 HD2 PHE 61 HD2 PHE 61 -6.275 -1.250 -2.101 1080 HE1 PHE 61 HE1 PHE 61 -5.633 -4.968 -5.258 1081 HE2 PHE 61 HE2 PHE 61 -4.452 -2.861 -1.745 1082 HZ PHE 61 HZ PHE 61 -4.129 -4.721 -3.326 1083 HB2 PHE 61 HB2 PHE 61 -8.216 -1.085 -5.191 1084 HB3 PHE 61 HB1 PHE 61 -7.824 -0.267 -3.682 1085 H SER 62 HN SER 62 -9.957 0.480 -2.291 1086 HA SER 62 HA SER 62 -8.878 -0.112 0.230 1087 HG SER 62 HG SER 62 -9.537 1.410 1.824 1088 HB2 SER 62 HB2 SER 62 -9.329 2.183 -0.529 1089 HB3 SER 62 HB1 SER 62 -11.062 1.859 -0.484 1090 H ASN 63 HN ASN 63 -12.265 -0.175 -0.891 1091 HA ASN 63 HA ASN 63 -13.348 -1.052 1.553 1092 HB2 ASN 63 HB2 ASN 63 -14.371 -1.201 -1.279 1093 HB3 ASN 63 HB1 ASN 63 -15.300 -1.817 0.085 1094 HD21 ASN 63 HD21 ASN 63 -15.904 0.361 -1.760 1095 HD22 ASN 63 HD22 ASN 63 -16.122 1.769 -0.773 1096 H SER 64 HN SER 64 -12.216 -2.853 -1.287 1097 HA SER 64 HA SER 64 -12.926 -5.395 -0.227 1098 HG SER 64 HG SER 64 -10.201 -4.021 -1.813 1099 HB2 SER 64 HB2 SER 64 -11.419 -6.291 -1.997 1100 HB3 SER 64 HB1 SER 64 -12.595 -5.133 -2.611 1101 H LEU 65 HN LEU 65 -10.257 -3.249 0.243 1102 HA LEU 65 HA LEU 65 -8.455 -5.160 1.359 1103 HG LEU 65 HG LEU 65 -6.904 -3.417 3.264 1104 HB2 LEU 65 HB2 LEU 65 -7.823 -2.902 0.435 1105 HB3 LEU 65 HB1 LEU 65 -8.543 -2.182 1.861 1106 HD11 LEU 65 HD11 LEU 65 -6.440 -5.268 1.765 1107 HD12 LEU 65 HD12 LEU 65 -4.949 -4.416 2.167 1108 HD13 LEU 65 HD13 LEU 65 -5.713 -4.165 0.596 1109 HD21 LEU 65 HD21 LEU 65 -6.488 -1.110 2.647 1110 HD22 LEU 65 HD22 LEU 65 -5.764 -1.623 1.122 1111 HD23 LEU 65 HD23 LEU 65 -4.973 -2.015 2.650 1112 H ILE 66 HN ILE 66 -10.924 -2.982 2.632 1113 HA ILE 66 HA ILE 66 -10.545 -3.495 5.378 1114 HB ILE 66 HB ILE 66 -13.268 -3.084 4.142 1115 HG12 ILE 66 HG12 ILE 66 -11.820 -1.423 3.106 1116 HG13 ILE 66 HG11 ILE 66 -12.891 -0.649 4.267 1117 HG21 ILE 66 HG21 ILE 66 -12.072 -2.204 6.768 1118 HG22 ILE 66 HG22 ILE 66 -13.207 -3.534 6.530 1119 HG23 ILE 66 HG23 ILE 66 -13.716 -1.873 6.223 1120 HD11 ILE 66 HD11 ILE 66 -11.073 -0.520 5.872 1121 HD12 ILE 66 HD12 ILE 66 -10.641 0.263 4.349 1122 HD13 ILE 66 HD13 ILE 66 -10.000 -1.335 4.732 1123 H ASN 67 HN ASN 67 -12.453 -5.075 2.885 1124 HA ASN 67 HA ASN 67 -13.639 -7.082 4.462 1125 HB2 ASN 67 HB2 ASN 67 -14.125 -6.350 2.012 1126 HB3 ASN 67 HB1 ASN 67 -12.848 -7.481 1.584 1127 HD21 ASN 67 HD21 ASN 67 -15.611 -7.568 0.850 1128 HD22 ASN 67 HD22 ASN 67 -16.248 -9.055 1.473 1129 H ALA 68 HN ALA 68 -10.615 -6.963 2.631 1130 HA ALA 68 HA ALA 68 -9.737 -9.580 3.104 1131 HB1 ALA 68 HB1 ALA 68 -8.059 -7.091 2.762 1132 HB2 ALA 68 HB2 ALA 68 -8.696 -8.095 1.459 1133 HB3 ALA 68 HB3 ALA 68 -7.502 -8.753 2.575 1134 H VAL 69 HN VAL 69 -9.107 -6.590 4.945 1135 HA VAL 69 HA VAL 69 -7.566 -7.721 6.995 1136 HB VAL 69 HB VAL 69 -9.451 -5.354 7.115 1137 HG11 VAL 69 HG11 VAL 69 -9.037 -6.216 9.357 1138 HG12 VAL 69 HG12 VAL 69 -8.199 -4.682 9.122 1139 HG13 VAL 69 HG13 VAL 69 -7.299 -6.198 9.058 1140 HG21 VAL 69 HG21 VAL 69 -7.386 -4.030 6.902 1141 HG22 VAL 69 HG22 VAL 69 -7.655 -5.069 5.503 1142 HG23 VAL 69 HG23 VAL 69 -6.463 -5.522 6.721 1143 H LYS 70 HN LYS 70 -11.071 -7.301 6.707 1144 HA LYS 70 HA LYS 70 -11.811 -8.407 9.165 1145 HB2 LYS 70 HB2 LYS 70 -13.466 -7.265 7.879 1146 HB3 LYS 70 HB1 LYS 70 -13.223 -8.321 6.496 1147 HG2 LYS 70 HG2 LYS 70 -14.231 -10.168 7.671 1148 HG3 LYS 70 HG1 LYS 70 -14.362 -9.204 9.144 1149 HD2 LYS 70 HD2 LYS 70 -15.683 -8.443 6.548 1150 HD3 LYS 70 HD1 LYS 70 -16.473 -9.427 7.782 1151 HE2 LYS 70 HE2 LYS 70 -15.331 -6.683 8.280 1152 HE3 LYS 70 HE1 LYS 70 -17.021 -6.989 7.883 1153 HZ1 LYS 70 HZ1 LYS 70 -16.661 -6.777 10.276 1154 HZ2 LYS 70 HZ2 LYS 70 -15.591 -8.092 10.252 1155 HZ3 LYS 70 HZ3 LYS 70 -17.230 -8.324 9.873 1156 H THR 71 HN THR 71 -11.205 -9.950 6.035 1157 HA THR 71 HA THR 71 -11.910 -12.569 6.836 1158 HB THR 71 HB THR 71 -9.993 -11.774 4.632 1159 HG1 THR 71 HG1 THR 71 -12.022 -10.722 4.397 1160 HG21 THR 71 HG21 THR 71 -9.977 -14.170 5.161 1161 HG22 THR 71 HG22 THR 71 -10.708 -13.869 3.585 1162 HG23 THR 71 HG23 THR 71 -11.730 -14.224 4.979 1163 H ARG 72 HN ARG 72 -9.021 -10.672 7.239 1164 HA ARG 72 HA ARG 72 -7.346 -12.886 8.007 1165 HE ARG 72 HE ARG 72 -3.861 -11.209 5.099 1166 HB2 ARG 72 HB2 ARG 72 -7.020 -9.914 8.475 1167 HB3 ARG 72 HB1 ARG 72 -5.800 -11.125 8.833 1168 HG2 ARG 72 HG2 ARG 72 -6.895 -10.513 6.097 1169 HG3 ARG 72 HG1 ARG 72 -5.361 -9.928 6.741 1170 HD2 ARG 72 HD2 ARG 72 -4.721 -12.351 7.058 1171 HD3 ARG 72 HD1 ARG 72 -6.152 -12.764 6.118 1172 HH11 ARG 72 HH11 ARG 72 -6.563 -13.386 4.584 1173 HH12 ARG 72 HH12 ARG 72 -6.219 -13.588 2.892 1174 HH21 ARG 72 HH21 ARG 72 -3.404 -11.505 2.891 1175 HH22 ARG 72 HH22 ARG 72 -4.443 -12.522 1.926 1176 H LEU 73 HN LEU 73 -9.243 -10.404 9.650 1177 HA LEU 73 HA LEU 73 -8.435 -11.137 12.280 1178 HG LEU 73 HG LEU 73 -9.387 -9.728 14.043 1179 HB2 LEU 73 HB2 LEU 73 -9.301 -8.890 11.555 1180 HB3 LEU 73 HB1 LEU 73 -10.898 -9.599 11.456 1181 HD11 LEU 73 HD11 LEU 73 -10.372 -7.584 14.693 1182 HD12 LEU 73 HD12 LEU 73 -10.981 -7.364 13.052 1183 HD13 LEU 73 HD13 LEU 73 -9.243 -7.397 13.352 1184 HD21 LEU 73 HD21 LEU 73 -11.479 -10.980 13.830 1185 HD22 LEU 73 HD22 LEU 73 -12.321 -9.503 13.361 1186 HD23 LEU 73 HD23 LEU 73 -11.645 -9.656 14.983 1187 H GLU 74 HN GLU 74 -11.237 -11.917 10.261 1188 HA GLU 74 HA GLU 74 -12.540 -13.459 12.284 1189 HB2 GLU 74 HB2 GLU 74 -12.928 -13.406 9.286 1190 HB3 GLU 74 HB1 GLU 74 -13.952 -14.295 10.402 1191 HG2 GLU 74 HG2 GLU 74 -13.573 -11.312 10.341 1192 HG3 GLU 74 HG1 GLU 74 -14.970 -12.198 9.733 1193 H HIS 75 HN HIS 75 -10.798 -14.783 12.982 1194 HA HIS 75 HA HIS 75 -9.673 -16.745 11.207 1195 HD1 HIS 75 HD1 HIS 75 -8.530 -14.365 14.715 1196 HD2 HIS 75 HD2 HIS 75 -6.720 -16.358 11.539 1197 HE1 HIS 75 HE1 HIS 75 -6.478 -13.027 14.151 1198 HE2 HIS 75 HE2 HIS 75 -5.519 -14.130 12.098 1199 HB2 HIS 75 HB2 HIS 75 -9.615 -16.555 14.232 1200 HB3 HIS 75 HB1 HIS 75 -8.686 -17.702 13.275 1201 H HIS 76 HN HIS 76 -10.743 -18.500 10.533 1202 HA HIS 76 HA HIS 76 -13.210 -19.283 11.793 1203 HD1 HIS 76 HD1 HIS 76 -12.748 -23.033 9.552 1204 HD2 HIS 76 HD2 HIS 76 -15.526 -20.036 10.342 1205 HE1 HIS 76 HE1 HIS 76 -14.989 -24.180 9.636 1206 HE2 HIS 76 HE2 HIS 76 -16.641 -22.362 10.205 1207 HB2 HIS 76 HB2 HIS 76 -12.791 -19.440 9.314 1208 HB3 HIS 76 HB1 HIS 76 -11.696 -20.778 9.642 1209 H HIS 77 HN HIS 77 -9.958 -19.988 12.233 1210 HA HIS 77 HA HIS 77 -10.284 -22.592 13.435 1211 HD1 HIS 77 HD1 HIS 77 -5.703 -21.833 14.243 1212 HD2 HIS 77 HD2 HIS 77 -9.021 -24.333 14.455 1213 HE1 HIS 77 HE1 HIS 77 -4.933 -23.882 15.481 1214 HE2 HIS 77 HE2 HIS 77 -6.985 -25.333 15.703 1215 HB2 HIS 77 HB2 HIS 77 -8.179 -21.791 12.295 1216 HB3 HIS 77 HB1 HIS 77 -7.941 -20.678 13.635 1217 H HIS 78 HN HIS 78 -12.006 -20.559 14.454 1218 HA HIS 78 HA HIS 78 -10.983 -20.188 17.193 1219 HD1 HIS 78 HD1 HIS 78 -14.734 -18.162 17.582 1220 HD2 HIS 78 HD2 HIS 78 -10.800 -17.398 18.715 1221 HE1 HIS 78 HE1 HIS 78 -14.879 -17.023 19.821 1222 HE2 HIS 78 HE2 HIS 78 -12.499 -16.395 20.391 1223 HB2 HIS 78 HB2 HIS 78 -11.378 -18.057 16.006 1224 HB3 HIS 78 HB1 HIS 78 -13.044 -18.537 15.708 1225 H HIS 79 HN HIS 79 -11.831 -21.724 18.444 1226 HA HIS 79 HA HIS 79 -14.721 -21.848 18.644 1227 HD1 HIS 79 HD1 HIS 79 -16.329 -24.333 16.542 1228 HD2 HIS 79 HD2 HIS 79 -15.213 -25.018 20.495 1229 HE1 HIS 79 HE1 HIS 79 -18.288 -25.490 17.618 1230 HE2 HIS 79 HE2 HIS 79 -17.670 -25.698 20.048 1231 HB2 HIS 79 HB2 HIS 79 -13.997 -23.645 16.975 1232 HB3 HIS 79 HB1 HIS 79 -13.218 -24.449 18.333 1233 H HIS 80 HN HIS 80 -14.480 -20.939 20.641 1234 HA HIS 80 HA HIS 80 -13.707 -22.811 22.735 1235 HD1 HIS 80 HD1 HIS 80 -11.258 -23.091 24.284 1236 HD2 HIS 80 HD2 HIS 80 -10.408 -20.859 20.877 1237 HE1 HIS 80 HE1 HIS 80 -9.071 -23.981 23.418 1238 HE2 HIS 80 HE2 HIS 80 -8.488 -22.492 21.467 1239 HB2 HIS 80 HB2 HIS 80 -12.521 -20.056 22.425 1240 HB3 HIS 80 HB1 HIS 80 -12.637 -20.835 23.998 Start of MODEL 18 1 HA MET 1 HA MET 1 25.433 1.502 21.472 2 H1 MET 1 HT1 MET 1 22.746 1.325 22.699 3 H2 MET 1 HT2 MET 1 23.557 2.747 22.271 4 H3 MET 1 HT3 MET 1 24.174 1.760 23.504 5 HB2 MET 1 HB2 MET 1 25.213 -0.412 23.002 6 HB3 MET 1 HB1 MET 1 23.745 -0.912 22.172 7 HG2 MET 1 HG2 MET 1 25.063 -1.227 20.107 8 HG3 MET 1 HG1 MET 1 26.521 -0.823 21.014 9 HE1 MET 1 HE1 MET 1 26.923 -4.677 20.468 10 HE2 MET 1 HE2 MET 1 27.675 -3.093 20.280 11 HE3 MET 1 HE3 MET 1 26.243 -3.507 19.338 12 H ALA 2 HN ALA 2 22.092 0.313 21.076 13 HA ALA 2 HA ALA 2 22.439 0.257 18.191 14 HB1 ALA 2 HB1 ALA 2 20.216 -0.752 18.149 15 HB2 ALA 2 HB2 ALA 2 20.051 -0.478 19.883 16 HB3 ALA 2 HB3 ALA 2 21.274 -1.596 19.278 17 H GLN 3 HN GLN 3 22.531 2.359 17.506 18 HA GLN 3 HA GLN 3 20.548 4.282 18.306 19 HB2 GLN 3 HB2 GLN 3 22.622 4.371 16.102 20 HB3 GLN 3 HB1 GLN 3 21.590 5.722 16.559 21 HG2 GLN 3 HG2 GLN 3 22.552 5.579 18.857 22 HG3 GLN 3 HG1 GLN 3 23.689 4.380 18.242 23 HE21 GLN 3 HE21 GLN 3 24.163 7.012 19.406 24 HE22 GLN 3 HE22 GLN 3 25.041 7.918 18.212 25 H HIS 4 HN HIS 4 18.564 3.633 17.795 26 HA HIS 4 HA HIS 4 17.874 2.244 15.416 27 HD1 HIS 4 HD1 HIS 4 13.805 3.986 16.663 28 HD2 HIS 4 HD2 HIS 4 17.242 4.801 18.874 29 HE1 HIS 4 HE1 HIS 4 13.262 6.014 18.047 30 HE2 HIS 4 HE2 HIS 4 15.374 6.545 19.317 31 HB2 HIS 4 HB2 HIS 4 15.598 2.360 16.191 32 HB3 HIS 4 HB1 HIS 4 16.626 2.072 17.589 33 H SER 5 HN SER 5 16.139 3.018 13.925 34 HA SER 5 HA SER 5 16.765 5.430 12.645 35 HG SER 5 HG SER 5 16.195 3.390 10.750 36 HB2 SER 5 HB2 SER 5 14.111 3.982 12.510 37 HB3 SER 5 HB1 SER 5 14.858 4.983 11.263 38 H LYS 6 HN LYS 6 16.465 7.414 13.454 39 HA LYS 6 HA LYS 6 14.495 7.852 15.536 40 HB2 LYS 6 HB2 LYS 6 15.483 10.066 15.757 41 HB3 LYS 6 HB1 LYS 6 16.738 8.836 15.750 42 HG2 LYS 6 HG2 LYS 6 17.310 9.363 13.475 43 HG3 LYS 6 HG1 LYS 6 15.960 10.493 13.358 44 HD2 LYS 6 HD2 LYS 6 16.998 11.812 15.200 45 HD3 LYS 6 HD1 LYS 6 18.393 10.735 15.123 46 HE2 LYS 6 HE2 LYS 6 18.792 12.786 13.870 47 HE3 LYS 6 HE1 LYS 6 18.775 11.380 12.806 48 HZ1 LYS 6 HZ1 LYS 6 16.396 13.107 13.218 49 HZ2 LYS 6 HZ2 LYS 6 16.646 11.949 12.006 50 HZ3 LYS 6 HZ3 LYS 6 17.532 13.392 11.990 51 H TYR 7 HN TYR 7 13.998 7.466 12.516 52 HA TYR 7 HA TYR 7 12.424 8.050 11.011 53 HD1 TYR 7 HD2 TYR 7 10.366 6.519 11.396 54 HD2 TYR 7 HD1 TYR 7 11.037 8.342 15.184 55 HE1 TYR 7 HE2 TYR 7 9.742 4.420 12.512 56 HE2 TYR 7 HE1 TYR 7 10.421 6.243 16.308 57 HH TYR 7 HH TYR 7 9.017 4.189 15.765 58 HB2 TYR 7 HB2 TYR 7 11.188 9.648 13.265 59 HB3 TYR 7 HB1 TYR 7 10.381 9.110 11.793 60 H SER 8 HN SER 8 14.191 9.205 9.992 61 HA SER 8 HA SER 8 13.958 12.114 10.083 62 HG SER 8 HG SER 8 16.928 10.083 10.449 63 HB2 SER 8 HB2 SER 8 16.028 10.486 8.611 64 HB3 SER 8 HB1 SER 8 16.106 12.196 9.041 65 H ASP 9 HN ASP 9 13.041 13.195 8.419 66 HA ASP 9 HA ASP 9 11.634 11.797 6.406 67 HB2 ASP 9 HB2 ASP 9 11.101 13.946 5.460 68 HB3 ASP 9 HB1 ASP 9 11.050 14.101 7.213 69 H ALA 10 HN ALA 10 14.865 12.925 6.694 70 HA ALA 10 HA ALA 10 15.470 12.785 3.869 71 HB1 ALA 10 HB1 ALA 10 17.340 12.894 6.239 72 HB2 ALA 10 HB2 ALA 10 16.716 14.290 5.363 73 HB3 ALA 10 HB3 ALA 10 17.781 13.145 4.548 74 H GLN 11 HN GLN 11 15.702 10.764 6.712 75 HA GLN 11 HA GLN 11 17.172 8.641 5.476 76 HB2 GLN 11 HB2 GLN 11 17.129 8.910 7.892 77 HB3 GLN 11 HB1 GLN 11 15.386 8.715 7.913 78 HG2 GLN 11 HG2 GLN 11 15.574 6.410 7.305 79 HG3 GLN 11 HG1 GLN 11 17.315 6.573 7.054 80 HE21 GLN 11 HE21 GLN 11 18.676 6.743 8.820 81 HE22 GLN 11 HE22 GLN 11 18.158 6.355 10.432 82 H LEU 12 HN LEU 12 13.804 9.418 5.995 83 HA LEU 12 HA LEU 12 12.582 7.135 4.971 84 HG LEU 12 HG LEU 12 10.366 8.632 3.310 85 HB2 LEU 12 HB2 LEU 12 11.366 8.880 6.147 86 HB3 LEU 12 HB1 LEU 12 11.722 10.028 4.871 87 HD11 LEU 12 HD11 LEU 12 8.844 6.972 4.264 88 HD12 LEU 12 HD12 LEU 12 9.622 7.161 5.835 89 HD13 LEU 12 HD13 LEU 12 10.531 6.504 4.475 90 HD21 LEU 12 HD21 LEU 12 8.205 9.353 4.220 91 HD22 LEU 12 HD22 LEU 12 9.434 10.611 4.359 92 HD23 LEU 12 HD23 LEU 12 8.971 9.668 5.775 93 H SER 13 HN SER 13 13.364 10.188 3.285 94 HA SER 13 HA SER 13 12.516 9.507 0.757 95 HG SER 13 HG SER 13 13.416 12.896 1.407 96 HB2 SER 13 HB2 SER 13 14.897 11.213 1.509 97 HB3 SER 13 HB1 SER 13 14.108 11.208 -0.069 98 H ALA 14 HN ALA 14 15.681 8.852 2.235 99 HA ALA 14 HA ALA 14 16.932 7.738 -0.008 100 HB1 ALA 14 HB1 ALA 14 17.320 7.055 2.902 101 HB2 ALA 14 HB2 ALA 14 18.146 8.336 2.012 102 HB3 ALA 14 HB3 ALA 14 18.431 6.645 1.595 103 H ILE 15 HN ILE 15 14.869 6.236 2.449 104 HA ILE 15 HA ILE 15 15.223 3.576 1.513 105 HB ILE 15 HB ILE 15 12.972 4.736 3.165 106 HG12 ILE 15 HG12 ILE 15 15.468 3.249 4.010 107 HG13 ILE 15 HG11 ILE 15 15.220 4.985 4.172 108 HG21 ILE 15 HG21 ILE 15 12.572 2.412 3.874 109 HG22 ILE 15 HG22 ILE 15 13.783 1.867 2.713 110 HG23 ILE 15 HG23 ILE 15 12.303 2.638 2.145 111 HD11 ILE 15 HD11 ILE 15 14.857 3.862 6.283 112 HD12 ILE 15 HD12 ILE 15 13.638 2.823 5.545 113 HD13 ILE 15 HD13 ILE 15 13.347 4.556 5.694 114 H VAL 16 HN VAL 16 12.651 5.992 1.011 115 HA VAL 16 HA VAL 16 10.996 4.318 -0.554 116 HB VAL 16 HB VAL 16 11.052 7.281 -1.014 117 HG11 VAL 16 HG11 VAL 16 8.661 7.012 -1.210 118 HG12 VAL 16 HG12 VAL 16 8.779 5.327 -0.705 119 HG13 VAL 16 HG13 VAL 16 9.476 5.837 -2.250 120 HG21 VAL 16 HG21 VAL 16 9.898 5.955 1.436 121 HG22 VAL 16 HG22 VAL 16 9.680 7.644 0.973 122 HG23 VAL 16 HG23 VAL 16 11.283 7.046 1.403 123 H ASN 17 HN ASN 17 13.573 6.581 -1.385 124 HA ASN 17 HA ASN 17 13.237 6.492 -4.181 125 HB2 ASN 17 HB2 ASN 17 15.369 7.411 -2.340 126 HB3 ASN 17 HB1 ASN 17 15.853 7.065 -3.996 127 HD21 ASN 17 HD21 ASN 17 13.943 9.110 -1.939 128 HD22 ASN 17 HD22 ASN 17 13.609 10.332 -3.129 129 H ASP 18 HN ASP 18 15.008 4.418 -1.962 130 HA ASP 18 HA ASP 18 16.450 2.983 -3.918 131 HB2 ASP 18 HB2 ASP 18 17.045 2.897 -1.538 132 HB3 ASP 18 HB1 ASP 18 15.510 2.119 -1.170 133 H MET 19 HN MET 19 13.376 2.413 -2.257 134 HA MET 19 HA MET 19 12.648 0.022 -3.469 135 HB2 MET 19 HB2 MET 19 10.934 2.307 -2.501 136 HB3 MET 19 HB1 MET 19 10.285 0.754 -3.006 137 HG2 MET 19 HG2 MET 19 11.539 -0.358 -1.246 138 HG3 MET 19 HG1 MET 19 12.226 1.186 -0.746 139 HE1 MET 19 HE1 MET 19 10.684 -0.888 1.168 140 HE2 MET 19 HE2 MET 19 9.696 0.206 2.136 141 HE3 MET 19 HE3 MET 19 11.371 0.620 1.769 142 H ILE 20 HN ILE 20 12.138 3.349 -4.585 143 HA ILE 20 HA ILE 20 10.649 2.807 -6.888 144 HB ILE 20 HB ILE 20 12.724 4.973 -6.492 145 HG12 ILE 20 HG12 ILE 20 9.718 5.064 -6.128 146 HG13 ILE 20 HG11 ILE 20 10.892 4.985 -4.818 147 HG21 ILE 20 HG21 ILE 20 10.496 4.773 -8.520 148 HG22 ILE 20 HG22 ILE 20 12.224 4.639 -8.850 149 HG23 ILE 20 HG23 ILE 20 11.553 6.167 -8.283 150 HD11 ILE 20 HD11 ILE 20 10.056 7.248 -5.163 151 HD12 ILE 20 HD12 ILE 20 10.661 7.219 -6.820 152 HD13 ILE 20 HD13 ILE 20 11.790 7.140 -5.467 153 H ALA 21 HN ALA 21 14.158 2.948 -6.417 154 HA ALA 21 HA ALA 21 14.857 2.326 -9.083 155 HB1 ALA 21 HB1 ALA 21 16.423 3.351 -7.501 156 HB2 ALA 21 HB2 ALA 21 17.082 1.871 -8.200 157 HB3 ALA 21 HB3 ALA 21 16.439 1.862 -6.556 158 H VAL 22 HN VAL 22 14.473 0.326 -6.170 159 HA VAL 22 HA VAL 22 15.185 -2.159 -7.221 160 HB VAL 22 HB VAL 22 12.992 -1.654 -5.198 161 HG11 VAL 22 HG11 VAL 22 13.027 -3.935 -6.039 162 HG12 VAL 22 HG12 VAL 22 13.563 -3.880 -4.360 163 HG13 VAL 22 HG13 VAL 22 14.744 -4.065 -5.656 164 HG21 VAL 22 HG21 VAL 22 14.971 -0.497 -4.454 165 HG22 VAL 22 HG22 VAL 22 15.968 -1.916 -4.794 166 HG23 VAL 22 HG23 VAL 22 14.776 -1.969 -3.497 167 H LEU 23 HN LEU 23 12.026 -0.564 -7.150 168 HA LEU 23 HA LEU 23 10.510 -2.581 -8.381 169 HG LEU 23 HG LEU 23 8.481 -1.092 -9.865 170 HB2 LEU 23 HB2 LEU 23 9.674 -0.544 -7.153 171 HB3 LEU 23 HB1 LEU 23 10.079 0.401 -8.571 172 HD11 LEU 23 HD11 LEU 23 7.683 -1.865 -7.064 173 HD12 LEU 23 HD12 LEU 23 8.351 -2.927 -8.305 174 HD13 LEU 23 HD13 LEU 23 6.756 -2.211 -8.524 175 HD21 LEU 23 HD21 LEU 23 6.527 0.164 -9.139 176 HD22 LEU 23 HD22 LEU 23 7.951 1.202 -9.203 177 HD23 LEU 23 HD23 LEU 23 7.356 0.619 -7.649 178 H GLU 24 HN GLU 24 12.390 0.081 -9.692 179 HA GLU 24 HA GLU 24 11.509 -0.217 -12.385 180 HB2 GLU 24 HB2 GLU 24 12.354 1.905 -11.492 181 HB3 GLU 24 HB1 GLU 24 13.937 1.182 -11.251 182 HG2 GLU 24 HG2 GLU 24 14.124 0.845 -13.680 183 HG3 GLU 24 HG1 GLU 24 12.568 1.648 -13.889 184 H LYS 25 HN LYS 25 14.307 -1.370 -10.559 185 HA LYS 25 HA LYS 25 15.843 -2.248 -12.732 186 HB2 LYS 25 HB2 LYS 25 15.776 -3.129 -9.852 187 HB3 LYS 25 HB1 LYS 25 16.956 -3.731 -11.010 188 HG2 LYS 25 HG2 LYS 25 17.854 -1.544 -11.338 189 HG3 LYS 25 HG1 LYS 25 16.564 -0.818 -10.382 190 HD2 LYS 25 HD2 LYS 25 17.387 -1.969 -8.388 191 HD3 LYS 25 HD1 LYS 25 18.667 -2.719 -9.345 192 HE2 LYS 25 HE2 LYS 25 19.623 -0.550 -9.832 193 HE3 LYS 25 HE1 LYS 25 18.295 0.254 -8.998 194 HZ1 LYS 25 HZ1 LYS 25 20.330 0.110 -7.659 195 HZ2 LYS 25 HZ2 LYS 25 20.233 -1.584 -7.699 196 HZ3 LYS 25 HZ3 LYS 25 19.021 -0.681 -6.927 197 H HIS 26 HN HIS 26 13.549 -4.065 -10.694 198 HA HIS 26 HA HIS 26 13.837 -6.436 -12.318 199 HD1 HIS 26 HD1 HIS 26 13.534 -9.064 -10.677 200 HD2 HIS 26 HD2 HIS 26 9.753 -7.421 -11.262 201 HE1 HIS 26 HE1 HIS 26 12.012 -11.013 -11.158 202 HE2 HIS 26 HE2 HIS 26 9.796 -9.967 -11.754 203 HB2 HIS 26 HB2 HIS 26 13.313 -6.602 -9.903 204 HB3 HIS 26 HB1 HIS 26 11.779 -5.789 -10.188 205 H LYS 27 HN LYS 27 12.005 -3.584 -12.395 206 HA LYS 27 HA LYS 27 10.299 -2.789 -13.635 207 HB2 LYS 27 HB2 LYS 27 11.639 -3.719 -15.544 208 HB3 LYS 27 HB1 LYS 27 10.684 -5.193 -15.431 209 HG2 LYS 27 HG2 LYS 27 8.696 -3.409 -15.613 210 HG3 LYS 27 HG1 LYS 27 9.953 -2.532 -16.484 211 HD2 LYS 27 HD2 LYS 27 8.691 -3.820 -18.066 212 HD3 LYS 27 HD1 LYS 27 10.289 -4.552 -17.903 213 HE2 LYS 27 HE2 LYS 27 9.399 -6.253 -16.430 214 HE3 LYS 27 HE1 LYS 27 7.809 -5.490 -16.462 215 HZ1 LYS 27 HZ1 LYS 27 9.199 -6.668 -18.808 216 HZ2 LYS 27 HZ2 LYS 27 7.654 -5.970 -18.815 217 HZ3 LYS 27 HZ3 LYS 27 7.933 -7.397 -17.948 218 H ALA 28 HN ALA 28 8.895 -3.223 -11.875 219 HA ALA 28 HA ALA 28 7.112 -5.510 -12.302 220 HB1 ALA 28 HB1 ALA 28 7.949 -5.211 -10.017 221 HB2 ALA 28 HB2 ALA 28 6.199 -5.016 -10.098 222 HB3 ALA 28 HB3 ALA 28 7.239 -3.597 -9.974 223 HA PRO 29 HA PRO 29 4.657 -2.507 -14.535 224 HB2 PRO 29 HB2 PRO 29 2.616 -4.231 -15.130 225 HB3 PRO 29 HB1 PRO 29 4.122 -4.141 -16.050 226 HG2 PRO 29 HG2 PRO 29 3.318 -6.074 -13.914 227 HG3 PRO 29 HG1 PRO 29 4.175 -6.380 -15.435 228 HD2 PRO 29 HD2 PRO 29 5.459 -6.238 -13.072 229 HD3 PRO 29 HD1 PRO 29 6.200 -5.670 -14.583 230 H VAL 30 HN VAL 30 2.538 -1.568 -14.313 231 HA VAL 30 HA VAL 30 1.753 -0.938 -11.759 232 HB VAL 30 HB VAL 30 -0.083 -1.031 -14.166 233 HG11 VAL 30 HG11 VAL 30 -1.304 -0.692 -12.096 234 HG12 VAL 30 HG12 VAL 30 -1.274 0.799 -13.036 235 HG13 VAL 30 HG13 VAL 30 -0.213 0.616 -11.640 236 HG21 VAL 30 HG21 VAL 30 0.588 1.309 -14.519 237 HG22 VAL 30 HG22 VAL 30 1.946 0.196 -14.684 238 HG23 VAL 30 HG23 VAL 30 1.767 1.158 -13.216 239 H ASP 31 HN ASP 31 0.744 -3.650 -13.719 240 HA ASP 31 HA ASP 31 -1.477 -4.571 -12.327 241 HB2 ASP 31 HB2 ASP 31 0.675 -6.298 -13.572 242 HB3 ASP 31 HB1 ASP 31 -1.007 -6.737 -13.304 243 H LEU 32 HN LEU 32 1.762 -5.994 -12.064 244 HA LEU 32 HA LEU 32 1.101 -7.414 -9.704 245 HG LEU 32 HG LEU 32 2.296 -8.246 -12.421 246 HB2 LEU 32 HB2 LEU 32 3.770 -6.869 -10.996 247 HB3 LEU 32 HB1 LEU 32 3.519 -7.989 -9.668 248 HD11 LEU 32 HD11 LEU 32 4.484 -9.861 -11.123 249 HD12 LEU 32 HD12 LEU 32 4.731 -8.625 -12.358 250 HD13 LEU 32 HD13 LEU 32 3.817 -10.083 -12.742 251 HD21 LEU 32 HD21 LEU 32 2.227 -10.108 -10.044 252 HD22 LEU 32 HD22 LEU 32 1.583 -10.459 -11.650 253 HD23 LEU 32 HD23 LEU 32 0.867 -9.175 -10.673 254 H SER 33 HN SER 33 2.594 -4.313 -10.306 255 HA SER 33 HA SER 33 3.844 -3.938 -7.823 256 HG SER 33 HG SER 33 4.828 -1.060 -8.396 257 HB2 SER 33 HB2 SER 33 4.248 -2.497 -9.787 258 HB3 SER 33 HB1 SER 33 2.612 -1.849 -9.642 259 H LEU 34 HN LEU 34 0.566 -3.062 -8.913 260 HA LEU 34 HA LEU 34 -0.189 -1.908 -6.435 261 HG LEU 34 HG LEU 34 -0.624 -0.986 -9.367 262 HB2 LEU 34 HB2 LEU 34 -1.857 -2.982 -8.705 263 HB3 LEU 34 HB1 LEU 34 -2.519 -2.137 -7.319 264 HD11 LEU 34 HD11 LEU 34 -2.864 -1.253 -10.229 265 HD12 LEU 34 HD12 LEU 34 -2.538 0.454 -9.927 266 HD13 LEU 34 HD13 LEU 34 -3.537 -0.466 -8.802 267 HD21 LEU 34 HD21 LEU 34 -0.928 1.132 -8.195 268 HD22 LEU 34 HD22 LEU 34 -0.192 -0.078 -7.142 269 HD23 LEU 34 HD23 LEU 34 -1.902 0.319 -6.968 270 H ILE 35 HN ILE 35 -0.512 -5.159 -7.792 271 HA ILE 35 HA ILE 35 -2.168 -6.157 -5.715 272 HB ILE 35 HB ILE 35 -0.261 -7.767 -7.418 273 HG12 ILE 35 HG12 ILE 35 -3.147 -7.023 -7.959 274 HG13 ILE 35 HG11 ILE 35 -1.758 -6.342 -8.797 275 HG21 ILE 35 HG21 ILE 35 -1.839 -9.591 -6.999 276 HG22 ILE 35 HG22 ILE 35 -2.807 -8.521 -5.986 277 HG23 ILE 35 HG23 ILE 35 -1.173 -8.961 -5.493 278 HD11 ILE 35 HD11 ILE 35 -2.843 -8.052 -10.130 279 HD12 ILE 35 HD12 ILE 35 -2.603 -9.228 -8.838 280 HD13 ILE 35 HD13 ILE 35 -1.211 -8.549 -9.683 281 H ALA 36 HN ALA 36 1.350 -6.063 -6.157 282 HA ALA 36 HA ALA 36 2.063 -7.472 -3.837 283 HB1 ALA 36 HB1 ALA 36 3.556 -5.240 -5.222 284 HB2 ALA 36 HB2 ALA 36 3.665 -6.955 -5.614 285 HB3 ALA 36 HB3 ALA 36 4.238 -6.369 -4.052 286 H LEU 37 HN LEU 37 1.524 -4.019 -4.427 287 HA LEU 37 HA LEU 37 2.031 -3.085 -1.839 288 HG LEU 37 HG LEU 37 1.565 -0.687 -1.568 289 HB2 LEU 37 HB2 LEU 37 1.701 -1.735 -3.952 290 HB3 LEU 37 HB1 LEU 37 -0.020 -1.987 -3.765 291 HD11 LEU 37 HD11 LEU 37 0.383 0.694 -3.973 292 HD12 LEU 37 HD12 LEU 37 2.101 0.530 -3.617 293 HD13 LEU 37 HD13 LEU 37 1.068 1.488 -2.554 294 HD21 LEU 37 HD21 LEU 37 -0.572 0.375 -1.077 295 HD22 LEU 37 HD22 LEU 37 -0.749 -1.379 -1.110 296 HD23 LEU 37 HD23 LEU 37 -1.303 -0.412 -2.476 297 H GLY 38 HN GLY 38 -0.975 -4.257 -3.330 298 HA2 GLY 38 HA2 GLY 38 -2.692 -3.850 -1.152 299 HA3 GLY 38 HA1 GLY 38 -2.908 -5.073 -2.396 300 H ASN 39 HN ASN 39 -0.885 -6.811 -2.031 301 HA ASN 39 HA ASN 39 -1.663 -8.296 0.221 302 HB2 ASN 39 HB2 ASN 39 0.640 -8.486 -1.689 303 HB3 ASN 39 HB1 ASN 39 0.597 -9.522 -0.265 304 HD21 ASN 39 HD21 ASN 39 -0.907 -8.766 -3.313 305 HD22 ASN 39 HD22 ASN 39 -1.873 -10.205 -3.412 306 H MET 40 HN MET 40 1.063 -6.108 -0.282 307 HA MET 40 HA MET 40 2.370 -6.641 2.165 308 HB2 MET 40 HB2 MET 40 3.502 -5.529 0.318 309 HB3 MET 40 HB1 MET 40 2.400 -4.165 0.431 310 HG2 MET 40 HG2 MET 40 3.277 -3.613 2.627 311 HG3 MET 40 HG1 MET 40 4.356 -5.005 2.557 312 HE1 MET 40 HE1 MET 40 6.738 -1.879 2.197 313 HE2 MET 40 HE2 MET 40 6.348 -3.301 3.163 314 HE3 MET 40 HE3 MET 40 5.237 -1.931 3.122 315 H ALA 41 HN ALA 41 0.122 -4.043 1.235 316 HA ALA 41 HA ALA 41 0.108 -2.695 3.686 317 HB1 ALA 41 HB1 ALA 41 -0.757 -1.726 1.619 318 HB2 ALA 41 HB2 ALA 41 -1.959 -1.655 2.909 319 HB3 ALA 41 HB3 ALA 41 -2.098 -2.872 1.641 320 H SER 42 HN SER 42 -2.129 -5.174 2.453 321 HA SER 42 HA SER 42 -3.825 -5.170 4.703 322 HG SER 42 HG SER 42 -2.939 -6.896 1.579 323 HB2 SER 42 HB2 SER 42 -4.575 -7.402 3.808 324 HB3 SER 42 HB1 SER 42 -4.638 -6.078 2.647 325 H ASN 43 HN ASN 43 -0.977 -7.078 3.885 326 HA ASN 43 HA ASN 43 -1.152 -8.925 6.003 327 HB2 ASN 43 HB2 ASN 43 0.306 -9.139 3.965 328 HB3 ASN 43 HB1 ASN 43 1.377 -7.933 4.671 329 HD21 ASN 43 HD21 ASN 43 2.726 -8.505 6.341 330 HD22 ASN 43 HD22 ASN 43 2.945 -10.143 6.847 331 H LEU 44 HN LEU 44 0.287 -5.717 5.774 332 HA LEU 44 HA LEU 44 1.578 -5.845 8.317 333 HG LEU 44 HG LEU 44 2.537 -4.839 5.490 334 HB2 LEU 44 HB2 LEU 44 0.846 -3.499 6.574 335 HB3 LEU 44 HB1 LEU 44 1.816 -3.379 8.031 336 HD11 LEU 44 HD11 LEU 44 4.374 -3.216 5.406 337 HD12 LEU 44 HD12 LEU 44 3.739 -2.431 6.853 338 HD13 LEU 44 HD13 LEU 44 2.798 -2.422 5.360 339 HD21 LEU 44 HD21 LEU 44 4.640 -5.394 6.588 340 HD22 LEU 44 HD22 LEU 44 3.272 -6.095 7.458 341 HD23 LEU 44 HD23 LEU 44 4.069 -4.648 8.079 342 H LEU 45 HN LEU 45 -1.454 -4.427 7.155 343 HA LEU 45 HA LEU 45 -2.167 -3.226 9.620 344 HG LEU 45 HG LEU 45 -2.277 -2.284 6.676 345 HB2 LEU 45 HB2 LEU 45 -3.876 -4.055 7.274 346 HB3 LEU 45 HB1 LEU 45 -4.445 -3.085 8.619 347 HD11 LEU 45 HD11 LEU 45 -3.904 -0.650 5.877 348 HD12 LEU 45 HD12 LEU 45 -5.111 -1.308 6.983 349 HD13 LEU 45 HD13 LEU 45 -4.491 -2.300 5.662 350 HD21 LEU 45 HD21 LEU 45 -1.926 -1.364 8.920 351 HD22 LEU 45 HD22 LEU 45 -3.570 -0.726 8.914 352 HD23 LEU 45 HD23 LEU 45 -2.382 -0.110 7.767 353 H THR 46 HN THR 46 -2.319 -6.485 8.536 354 HA THR 46 HA THR 46 -4.298 -7.147 10.593 355 HB THR 46 HB THR 46 -4.069 -9.503 9.644 356 HG1 THR 46 HG1 THR 46 -2.949 -8.183 7.395 357 HG21 THR 46 HG21 THR 46 -5.044 -7.312 7.808 358 HG22 THR 46 HG22 THR 46 -5.962 -8.035 9.129 359 HG23 THR 46 HG23 THR 46 -5.512 -9.010 7.730 360 H THR 47 HN THR 47 -1.029 -6.780 10.372 361 HA THR 47 HA THR 47 -0.486 -8.829 12.409 362 HB THR 47 HB THR 47 1.478 -7.259 10.721 363 HG1 THR 47 HG1 THR 47 0.537 -8.774 9.411 364 HG21 THR 47 HG21 THR 47 3.155 -8.830 11.610 365 HG22 THR 47 HG22 THR 47 1.927 -9.532 12.664 366 HG23 THR 47 HG23 THR 47 2.426 -7.857 12.888 367 H SER 48 HN SER 48 0.284 -5.436 11.621 368 HA SER 48 HA SER 48 0.998 -4.955 14.416 369 HG SER 48 HG SER 48 3.468 -3.797 12.101 370 HB2 SER 48 HB2 SER 48 1.266 -3.134 12.011 371 HB3 SER 48 HB1 SER 48 1.985 -2.884 13.604 372 H VAL 49 HN VAL 49 -1.793 -5.294 13.404 373 HA VAL 49 HA VAL 49 -3.202 -2.896 13.310 374 HB VAL 49 HB VAL 49 -4.350 -4.859 12.678 375 HG11 VAL 49 HG11 VAL 49 -3.874 -5.959 15.443 376 HG12 VAL 49 HG12 VAL 49 -3.061 -6.471 13.963 377 HG13 VAL 49 HG13 VAL 49 -4.792 -6.741 14.155 378 HG21 VAL 49 HG21 VAL 49 -5.493 -3.955 15.318 379 HG22 VAL 49 HG22 VAL 49 -6.362 -4.860 14.078 380 HG23 VAL 49 HG23 VAL 49 -5.791 -3.227 13.739 381 HA PRO 50 HA PRO 50 -2.564 -1.406 17.464 382 HB2 PRO 50 HB2 PRO 50 -4.292 0.713 17.274 383 HB3 PRO 50 HB1 PRO 50 -2.639 0.726 16.649 384 HG2 PRO 50 HG2 PRO 50 -5.213 0.289 15.202 385 HG3 PRO 50 HG1 PRO 50 -3.779 1.197 14.691 386 HD2 PRO 50 HD2 PRO 50 -4.345 -1.296 13.784 387 HD3 PRO 50 HD1 PRO 50 -2.683 -0.700 13.975 388 H GLN 51 HN GLN 51 -5.900 -0.404 16.881 389 HA GLN 51 HA GLN 51 -6.855 -2.587 18.555 390 HB2 GLN 51 HB2 GLN 51 -7.542 0.323 19.058 391 HB3 GLN 51 HB1 GLN 51 -8.265 -1.045 19.893 392 HG2 GLN 51 HG2 GLN 51 -6.710 -0.298 21.413 393 HG3 GLN 51 HG1 GLN 51 -5.820 -1.577 20.586 394 HE21 GLN 51 HE21 GLN 51 -3.837 -0.637 21.158 395 HE22 GLN 51 HE22 GLN 51 -3.254 0.792 20.375 396 H THR 52 HN THR 52 -9.156 -0.141 18.163 397 HA THR 52 HA THR 52 -10.449 -1.710 16.045 398 HB THR 52 HB THR 52 -11.729 0.352 17.851 399 HG1 THR 52 HG1 THR 52 -12.523 -1.972 18.640 400 HG21 THR 52 HG21 THR 52 -12.892 -1.878 16.175 401 HG22 THR 52 HG22 THR 52 -12.989 -0.153 15.817 402 HG23 THR 52 HG23 THR 52 -13.803 -0.804 17.238 403 H GLN 53 HN GLN 53 -8.919 1.260 16.677 404 HA GLN 53 HA GLN 53 -10.169 2.838 14.655 405 HB2 GLN 53 HB2 GLN 53 -7.489 3.140 16.016 406 HB3 GLN 53 HB1 GLN 53 -8.210 4.340 14.953 407 HG2 GLN 53 HG2 GLN 53 -10.079 4.591 16.481 408 HG3 GLN 53 HG1 GLN 53 -9.388 3.365 17.541 409 HE21 GLN 53 HE21 GLN 53 -7.465 5.717 15.845 410 HE22 GLN 53 HE22 GLN 53 -6.980 6.622 17.235 411 H CYS 54 HN CYS 54 -8.346 0.149 14.388 412 HA CYS 54 HA CYS 54 -6.449 0.690 12.411 413 HG CYS 54 HG CYS 54 -8.390 -2.661 14.531 414 HB2 CYS 54 HB2 CYS 54 -6.763 -1.769 11.861 415 HB3 CYS 54 HB1 CYS 54 -6.387 -1.406 13.547 416 H GLU 55 HN GLU 55 -9.816 -0.369 12.120 417 HA GLU 55 HA GLU 55 -10.023 -0.312 9.328 418 HB2 GLU 55 HB2 GLU 55 -12.149 0.237 11.401 419 HB3 GLU 55 HB1 GLU 55 -12.439 -0.205 9.725 420 HG2 GLU 55 HG2 GLU 55 -11.757 -2.390 10.050 421 HG3 GLU 55 HG1 GLU 55 -10.851 -1.995 11.510 422 H ALA 56 HN ALA 56 -10.741 2.147 11.769 423 HA ALA 56 HA ALA 56 -11.897 4.054 10.100 424 HB1 ALA 56 HB1 ALA 56 -11.506 5.642 11.893 425 HB2 ALA 56 HB2 ALA 56 -10.343 4.544 12.636 426 HB3 ALA 56 HB3 ALA 56 -12.047 4.095 12.549 427 H LEU 57 HN LEU 57 -8.512 3.798 11.198 428 HA LEU 57 HA LEU 57 -7.658 6.105 9.788 429 HG LEU 57 HG LEU 57 -5.976 6.856 11.414 430 HB2 LEU 57 HB2 LEU 57 -6.287 3.859 11.182 431 HB3 LEU 57 HB1 LEU 57 -5.343 4.858 10.096 432 HD11 LEU 57 HD11 LEU 57 -7.230 4.879 13.308 433 HD12 LEU 57 HD12 LEU 57 -8.102 6.038 12.305 434 HD13 LEU 57 HD13 LEU 57 -7.027 6.609 13.583 435 HD21 LEU 57 HD21 LEU 57 -4.585 6.362 13.353 436 HD22 LEU 57 HD22 LEU 57 -3.888 5.694 11.878 437 HD23 LEU 57 HD23 LEU 57 -4.721 4.637 13.019 438 H ALA 58 HN ALA 58 -7.702 2.665 8.973 439 HA ALA 58 HA ALA 58 -6.250 2.882 6.554 440 HB1 ALA 58 HB1 ALA 58 -6.624 0.737 7.671 441 HB2 ALA 58 HB2 ALA 58 -7.189 0.699 6.001 442 HB3 ALA 58 HB3 ALA 58 -8.348 0.855 7.320 443 H GLN 59 HN GLN 59 -9.693 3.065 7.313 444 HA GLN 59 HA GLN 59 -10.625 3.397 4.665 445 HB2 GLN 59 HB2 GLN 59 -12.065 2.776 6.580 446 HB3 GLN 59 HB1 GLN 59 -11.836 4.382 7.257 447 HG2 GLN 59 HG2 GLN 59 -13.970 4.292 6.192 448 HG3 GLN 59 HG1 GLN 59 -12.909 5.333 5.243 449 HE21 GLN 59 HE21 GLN 59 -14.546 2.260 5.377 450 HE22 GLN 59 HE22 GLN 59 -14.387 1.889 3.692 451 H ALA 60 HN ALA 60 -9.744 5.701 7.214 452 HA ALA 60 HA ALA 60 -10.390 8.064 5.861 453 HB1 ALA 60 HB1 ALA 60 -9.915 7.954 8.264 454 HB2 ALA 60 HB2 ALA 60 -8.936 9.183 7.462 455 HB3 ALA 60 HB3 ALA 60 -8.217 7.636 7.910 456 H PHE 61 HN PHE 61 -7.259 6.380 6.103 457 HA PHE 61 HA PHE 61 -5.754 8.150 4.563 458 HD1 PHE 61 HD2 PHE 61 -3.053 7.991 5.064 459 HD2 PHE 61 HD1 PHE 61 -4.240 4.518 2.911 460 HE1 PHE 61 HE2 PHE 61 -1.005 8.134 3.710 461 HE2 PHE 61 HE1 PHE 61 -2.194 4.656 1.553 462 HZ PHE 61 HZ PHE 61 -0.574 6.466 1.952 463 HB2 PHE 61 HB2 PHE 61 -4.767 6.361 5.935 464 HB3 PHE 61 HB1 PHE 61 -5.417 5.153 4.834 465 H SER 62 HN SER 62 -7.464 5.198 3.529 466 HA SER 62 HA SER 62 -6.670 5.418 0.831 467 HG SER 62 HG SER 62 -8.757 3.684 3.245 468 HB2 SER 62 HB2 SER 62 -8.565 3.784 0.431 469 HB3 SER 62 HB1 SER 62 -7.352 3.273 1.604 470 H ASN 63 HN ASN 63 -9.764 6.192 2.407 471 HA ASN 63 HA ASN 63 -11.161 7.166 0.229 472 HB2 ASN 63 HB2 ASN 63 -11.959 6.796 2.640 473 HB3 ASN 63 HB1 ASN 63 -11.343 8.408 2.974 474 HD21 ASN 63 HD21 ASN 63 -14.043 7.412 3.143 475 HD22 ASN 63 HD22 ASN 63 -15.004 8.385 2.081 476 H SER 64 HN SER 64 -9.026 8.978 2.436 477 HA SER 64 HA SER 64 -9.388 11.478 1.153 478 HG SER 64 HG SER 64 -8.123 13.082 2.007 479 HB2 SER 64 HB2 SER 64 -8.515 11.133 3.500 480 HB3 SER 64 HB1 SER 64 -6.987 10.626 2.783 481 H LEU 65 HN LEU 65 -7.142 8.818 0.688 482 HA LEU 65 HA LEU 65 -5.386 10.108 -1.114 483 HG LEU 65 HG LEU 65 -4.603 7.798 -2.907 484 HB2 LEU 65 HB2 LEU 65 -4.972 7.941 0.088 485 HB3 LEU 65 HB1 LEU 65 -6.097 7.174 -1.013 486 HD11 LEU 65 HD11 LEU 65 -2.721 8.638 -0.705 487 HD12 LEU 65 HD12 LEU 65 -3.510 9.716 -1.856 488 HD13 LEU 65 HD13 LEU 65 -2.333 8.531 -2.422 489 HD21 LEU 65 HD21 LEU 65 -2.929 6.100 -2.448 490 HD22 LEU 65 HD22 LEU 65 -4.504 5.583 -1.848 491 HD23 LEU 65 HD23 LEU 65 -3.287 6.184 -0.723 492 H ILE 66 HN ILE 66 -8.373 8.265 -1.552 493 HA ILE 66 HA ILE 66 -8.440 8.284 -4.371 494 HB ILE 66 HB ILE 66 -10.884 8.477 -2.613 495 HG12 ILE 66 HG12 ILE 66 -9.563 6.705 -1.653 496 HG13 ILE 66 HG11 ILE 66 -10.880 5.981 -2.565 497 HG21 ILE 66 HG21 ILE 66 -10.423 7.183 -5.295 498 HG22 ILE 66 HG22 ILE 66 -11.297 8.685 -4.990 499 HG23 ILE 66 HG23 ILE 66 -11.935 7.155 -4.389 500 HD11 ILE 66 HD11 ILE 66 -9.374 5.441 -4.366 501 HD12 ILE 66 HD12 ILE 66 -8.759 4.801 -2.841 502 HD13 ILE 66 HD13 ILE 66 -8.050 6.258 -3.535 503 H ASN 67 HN ASN 67 -9.671 10.513 -1.938 504 HA ASN 67 HA ASN 67 -10.906 12.337 -3.700 505 HB2 ASN 67 HB2 ASN 67 -11.334 12.193 -1.250 506 HB3 ASN 67 HB1 ASN 67 -9.745 12.895 -0.962 507 HD21 ASN 67 HD21 ASN 67 -10.488 14.708 0.036 508 HD22 ASN 67 HD22 ASN 67 -11.354 15.957 -0.793 509 H ALA 68 HN ALA 68 -7.620 12.077 -2.464 510 HA ALA 68 HA ALA 68 -6.610 14.521 -3.401 511 HB1 ALA 68 HB1 ALA 68 -5.166 11.877 -3.179 512 HB2 ALA 68 HB2 ALA 68 -5.377 13.046 -1.875 513 HB3 ALA 68 HB3 ALA 68 -4.412 13.468 -3.289 514 H VAL 69 HN VAL 69 -6.959 11.376 -4.981 515 HA VAL 69 HA VAL 69 -5.799 12.073 -7.453 516 HB VAL 69 HB VAL 69 -8.016 10.072 -6.944 517 HG11 VAL 69 HG11 VAL 69 -7.158 8.974 -8.987 518 HG12 VAL 69 HG12 VAL 69 -6.082 10.348 -9.244 519 HG13 VAL 69 HG13 VAL 69 -7.830 10.573 -9.296 520 HG21 VAL 69 HG21 VAL 69 -5.023 9.684 -6.964 521 HG22 VAL 69 HG22 VAL 69 -6.227 8.404 -6.814 522 HG23 VAL 69 HG23 VAL 69 -6.071 9.622 -5.547 523 H LYS 70 HN LYS 70 -9.148 12.227 -6.289 524 HA LYS 70 HA LYS 70 -10.359 13.201 -8.613 525 HB2 LYS 70 HB2 LYS 70 -11.039 13.732 -5.716 526 HB3 LYS 70 HB1 LYS 70 -12.083 14.141 -7.068 527 HG2 LYS 70 HG2 LYS 70 -12.289 11.801 -7.655 528 HG3 LYS 70 HG1 LYS 70 -11.176 11.360 -6.359 529 HD2 LYS 70 HD2 LYS 70 -12.728 12.169 -4.693 530 HD3 LYS 70 HD1 LYS 70 -13.813 12.769 -5.951 531 HE2 LYS 70 HE2 LYS 70 -13.038 9.876 -5.627 532 HE3 LYS 70 HE1 LYS 70 -14.494 10.588 -4.931 533 HZ1 LYS 70 HZ1 LYS 70 -13.905 10.736 -7.833 534 HZ2 LYS 70 HZ2 LYS 70 -15.389 10.985 -7.044 535 HZ3 LYS 70 HZ3 LYS 70 -14.736 9.425 -7.148 536 H THR 71 HN THR 71 -8.608 14.856 -6.062 537 HA THR 71 HA THR 71 -9.217 17.490 -7.000 538 HB THR 71 HB THR 71 -6.964 16.659 -5.165 539 HG1 THR 71 HG1 THR 71 -8.976 15.890 -4.366 540 HG21 THR 71 HG21 THR 71 -8.488 19.259 -5.415 541 HG22 THR 71 HG22 THR 71 -6.851 18.973 -6.004 542 HG23 THR 71 HG23 THR 71 -7.186 18.922 -4.274 543 H ARG 72 HN ARG 72 -6.871 15.087 -7.790 544 HA ARG 72 HA ARG 72 -4.963 16.841 -9.008 545 HE ARG 72 HE ARG 72 -4.473 15.373 -12.309 546 HB2 ARG 72 HB2 ARG 72 -4.912 14.228 -8.266 547 HB3 ARG 72 HB1 ARG 72 -5.193 14.057 -9.990 548 HG2 ARG 72 HG2 ARG 72 -2.881 15.478 -8.684 549 HG3 ARG 72 HG1 ARG 72 -2.835 13.916 -9.496 550 HD2 ARG 72 HD2 ARG 72 -3.357 16.610 -10.746 551 HD3 ARG 72 HD1 ARG 72 -1.939 15.590 -10.968 552 HH11 ARG 72 HH11 ARG 72 -1.629 13.565 -11.315 553 HH12 ARG 72 HH12 ARG 72 -1.782 12.388 -12.583 554 HH21 ARG 72 HH21 ARG 72 -4.649 13.848 -13.981 555 HH22 ARG 72 HH22 ARG 72 -3.484 12.565 -14.113 556 H LEU 73 HN LEU 73 -7.586 14.760 -10.191 557 HA LEU 73 HA LEU 73 -7.297 15.504 -12.914 558 HG LEU 73 HG LEU 73 -9.119 12.321 -13.047 559 HB2 LEU 73 HB2 LEU 73 -9.442 14.113 -11.352 560 HB3 LEU 73 HB1 LEU 73 -9.752 14.617 -13.001 561 HD11 LEU 73 HD11 LEU 73 -7.121 12.372 -14.456 562 HD12 LEU 73 HD12 LEU 73 -6.797 14.025 -13.929 563 HD13 LEU 73 HD13 LEU 73 -8.250 13.664 -14.862 564 HD21 LEU 73 HD21 LEU 73 -8.010 12.151 -10.899 565 HD22 LEU 73 HD22 LEU 73 -6.654 13.106 -11.497 566 HD23 LEU 73 HD23 LEU 73 -6.976 11.510 -12.175 567 H GLU 74 HN GLU 74 -9.315 16.700 -10.273 568 HA GLU 74 HA GLU 74 -10.515 18.701 -11.977 569 HB2 GLU 74 HB2 GLU 74 -11.815 17.753 -10.123 570 HB3 GLU 74 HB1 GLU 74 -10.635 18.365 -8.972 571 HG2 GLU 74 HG2 GLU 74 -11.212 20.625 -9.466 572 HG3 GLU 74 HG1 GLU 74 -12.225 20.123 -10.818 573 H HIS 75 HN HIS 75 -8.485 19.534 -12.713 574 HA HIS 75 HA HIS 75 -7.294 21.446 -10.815 575 HD1 HIS 75 HD1 HIS 75 -4.385 20.911 -9.896 576 HD2 HIS 75 HD2 HIS 75 -4.430 22.562 -13.722 577 HE1 HIS 75 HE1 HIS 75 -2.492 22.573 -9.950 578 HE2 HIS 75 HE2 HIS 75 -2.484 23.502 -12.291 579 HB2 HIS 75 HB2 HIS 75 -5.786 19.576 -11.637 580 HB3 HIS 75 HB1 HIS 75 -5.943 20.260 -13.249 581 H HIS 76 HN HIS 76 -8.572 23.183 -11.276 582 HA HIS 76 HA HIS 76 -9.435 23.803 -13.927 583 HD1 HIS 76 HD1 HIS 76 -12.730 25.169 -12.810 584 HD2 HIS 76 HD2 HIS 76 -9.474 27.434 -14.072 585 HE1 HIS 76 HE1 HIS 76 -13.672 26.906 -14.369 586 HE2 HIS 76 HE2 HIS 76 -11.672 28.176 -15.229 587 HB2 HIS 76 HB2 HIS 76 -10.624 24.418 -11.753 588 HB3 HIS 76 HB1 HIS 76 -9.432 25.702 -11.579 589 H HIS 77 HN HIS 77 -8.398 24.844 -15.456 590 HA HIS 77 HA HIS 77 -6.608 27.012 -14.987 591 HD1 HIS 77 HD1 HIS 77 -3.900 24.860 -17.763 592 HD2 HIS 77 HD2 HIS 77 -3.673 27.742 -14.772 593 HE1 HIS 77 HE1 HIS 77 -2.050 26.414 -18.455 594 HE2 HIS 77 HE2 HIS 77 -1.805 28.030 -16.545 595 HB2 HIS 77 HB2 HIS 77 -5.085 25.204 -14.354 596 HB3 HIS 77 HB1 HIS 77 -5.420 24.367 -15.865 597 H HIS 78 HN HIS 78 -6.684 28.292 -16.739 598 HA HIS 78 HA HIS 78 -6.665 27.212 -19.397 599 HD1 HIS 78 HD1 HIS 78 -9.279 29.330 -21.486 600 HD2 HIS 78 HD2 HIS 78 -8.841 25.311 -20.491 601 HE1 HIS 78 HE1 HIS 78 -9.692 28.052 -23.610 602 HE2 HIS 78 HE2 HIS 78 -9.621 25.628 -22.937 603 HB2 HIS 78 HB2 HIS 78 -9.165 27.287 -18.419 604 HB3 HIS 78 HB1 HIS 78 -9.043 28.948 -18.993 605 H HIS 79 HN HIS 79 -7.581 30.166 -17.582 606 HA HIS 79 HA HIS 79 -5.406 31.589 -18.867 607 HD1 HIS 79 HD1 HIS 79 -8.384 34.873 -18.845 608 HD2 HIS 79 HD2 HIS 79 -9.871 31.005 -19.194 609 HE1 HIS 79 HE1 HIS 79 -10.818 35.027 -18.239 610 HE2 HIS 79 HE2 HIS 79 -11.692 32.670 -18.391 611 HB2 HIS 79 HB2 HIS 79 -6.730 33.318 -19.876 612 HB3 HIS 79 HB1 HIS 79 -7.337 31.778 -20.467 613 H HIS 80 HN HIS 80 -5.740 34.084 -18.175 614 HA HIS 80 HA HIS 80 -6.232 34.057 -15.281 615 HD1 HIS 80 HD1 HIS 80 -2.888 36.330 -14.303 616 HD2 HIS 80 HD2 HIS 80 -3.679 32.799 -16.358 617 HE1 HIS 80 HE1 HIS 80 -1.058 34.730 -13.643 618 HE2 HIS 80 HE2 HIS 80 -1.637 32.560 -14.789 619 HB2 HIS 80 HB2 HIS 80 -4.634 35.871 -17.083 620 HB3 HIS 80 HB1 HIS 80 -5.098 36.375 -15.461 621 HA MET 1 HA MET 1 -6.243 -20.136 -22.330 622 H1 MET 1 HT1 MET 1 -7.710 -21.921 -22.931 623 H2 MET 1 HT2 MET 1 -8.292 -22.026 -21.342 624 H3 MET 1 HT3 MET 1 -6.673 -22.408 -21.680 625 HB2 MET 1 HB2 MET 1 -9.097 -19.726 -21.418 626 HB3 MET 1 HB1 MET 1 -7.958 -18.423 -21.723 627 HG2 MET 1 HG2 MET 1 -7.790 -19.157 -24.068 628 HG3 MET 1 HG1 MET 1 -8.999 -20.397 -23.741 629 HE1 MET 1 HE1 MET 1 -10.971 -18.890 -21.754 630 HE2 MET 1 HE2 MET 1 -11.524 -19.878 -23.106 631 HE3 MET 1 HE3 MET 1 -12.160 -18.247 -22.888 632 H ALA 2 HN ALA 2 -5.703 -18.493 -20.714 633 HA ALA 2 HA ALA 2 -6.041 -19.357 -17.926 634 HB1 ALA 2 HB1 ALA 2 -3.383 -18.655 -19.181 635 HB2 ALA 2 HB2 ALA 2 -3.893 -20.270 -18.686 636 HB3 ALA 2 HB3 ALA 2 -3.663 -19.008 -17.476 637 H GLN 3 HN GLN 3 -7.399 -17.355 -19.267 638 HA GLN 3 HA GLN 3 -5.984 -14.848 -18.990 639 HB2 GLN 3 HB2 GLN 3 -7.494 -15.367 -20.918 640 HB3 GLN 3 HB1 GLN 3 -8.853 -15.324 -19.804 641 HG2 GLN 3 HG2 GLN 3 -8.367 -12.986 -19.300 642 HG3 GLN 3 HG1 GLN 3 -7.005 -13.029 -20.423 643 HE21 GLN 3 HE21 GLN 3 -10.451 -13.001 -20.097 644 HE22 GLN 3 HE22 GLN 3 -10.818 -12.700 -21.760 645 H HIS 4 HN HIS 4 -5.696 -14.869 -16.721 646 HA HIS 4 HA HIS 4 -7.997 -13.684 -15.350 647 HD1 HIS 4 HD1 HIS 4 -7.420 -18.089 -14.616 648 HD2 HIS 4 HD2 HIS 4 -10.116 -14.923 -14.438 649 HE1 HIS 4 HE1 HIS 4 -9.694 -19.102 -14.987 650 HE2 HIS 4 HE2 HIS 4 -11.278 -17.146 -15.059 651 HB2 HIS 4 HB2 HIS 4 -6.277 -15.920 -14.258 652 HB3 HIS 4 HB1 HIS 4 -7.258 -14.881 -13.229 653 H SER 5 HN SER 5 -7.268 -12.446 -13.391 654 HA SER 5 HA SER 5 -5.049 -10.829 -14.218 655 HG SER 5 HG SER 5 -6.906 -8.971 -14.123 656 HB2 SER 5 HB2 SER 5 -6.870 -10.587 -11.812 657 HB3 SER 5 HB1 SER 5 -5.710 -9.366 -12.338 658 H LYS 6 HN LYS 6 -3.639 -12.832 -13.903 659 HA LYS 6 HA LYS 6 -1.774 -12.120 -11.969 660 HB2 LYS 6 HB2 LYS 6 -1.696 -14.153 -10.574 661 HB3 LYS 6 HB1 LYS 6 -3.163 -13.229 -10.323 662 HG2 LYS 6 HG2 LYS 6 -4.313 -14.859 -11.869 663 HG3 LYS 6 HG1 LYS 6 -2.849 -15.845 -11.770 664 HD2 LYS 6 HD2 LYS 6 -3.101 -15.759 -9.261 665 HD3 LYS 6 HD1 LYS 6 -4.687 -15.032 -9.523 666 HE2 LYS 6 HE2 LYS 6 -5.180 -17.277 -9.262 667 HE3 LYS 6 HE1 LYS 6 -5.132 -17.083 -11.013 668 HZ1 LYS 6 HZ1 LYS 6 -3.955 -19.064 -10.338 669 HZ2 LYS 6 HZ2 LYS 6 -2.949 -18.172 -9.310 670 HZ3 LYS 6 HZ3 LYS 6 -2.856 -17.953 -10.986 671 H TYR 7 HN TYR 7 -0.798 -12.004 -13.974 672 HA TYR 7 HA TYR 7 -0.544 -14.028 -15.867 673 HD1 TYR 7 HD1 TYR 7 0.324 -10.222 -14.267 674 HD2 TYR 7 HD2 TYR 7 -0.794 -11.800 -18.057 675 HE1 TYR 7 HE1 TYR 7 -1.157 -8.302 -14.616 676 HE2 TYR 7 HE2 TYR 7 -2.284 -9.876 -18.419 677 HH TYR 7 HH TYR 7 -2.323 -7.130 -16.226 678 HB2 TYR 7 HB2 TYR 7 1.623 -12.002 -15.322 679 HB3 TYR 7 HB1 TYR 7 1.126 -12.682 -16.868 680 H SER 8 HN SER 8 1.263 -13.326 -12.983 681 HA SER 8 HA SER 8 2.341 -15.967 -12.862 682 HG SER 8 HG SER 8 3.190 -15.265 -14.981 683 HB2 SER 8 HB2 SER 8 4.274 -13.642 -13.134 684 HB3 SER 8 HB1 SER 8 4.709 -15.318 -12.794 685 H ASP 9 HN ASP 9 1.335 -16.122 -10.877 686 HA ASP 9 HA ASP 9 1.576 -14.098 -8.879 687 HB2 ASP 9 HB2 ASP 9 0.564 -15.725 -7.352 688 HB3 ASP 9 HB1 ASP 9 -0.318 -15.671 -8.874 689 H ALA 10 HN ALA 10 3.571 -16.620 -9.993 690 HA ALA 10 HA ALA 10 5.249 -16.928 -7.729 691 HB1 ALA 10 HB1 ALA 10 5.902 -17.203 -10.666 692 HB2 ALA 10 HB2 ALA 10 5.337 -18.488 -9.597 693 HB3 ALA 10 HB3 ALA 10 6.919 -17.754 -9.335 694 H GLN 11 HN GLN 11 5.389 -14.801 -10.573 695 HA GLN 11 HA GLN 11 7.621 -13.290 -9.807 696 HB2 GLN 11 HB2 GLN 11 5.212 -12.624 -11.486 697 HB3 GLN 11 HB1 GLN 11 6.469 -11.438 -11.173 698 HG2 GLN 11 HG2 GLN 11 6.877 -14.104 -12.502 699 HG3 GLN 11 HG1 GLN 11 6.743 -12.554 -13.330 700 HE21 GLN 11 HE21 GLN 11 8.747 -14.636 -11.463 701 HE22 GLN 11 HE22 GLN 11 10.209 -13.713 -11.606 702 H LEU 12 HN LEU 12 4.166 -12.837 -9.175 703 HA LEU 12 HA LEU 12 4.290 -10.437 -7.787 704 HG LEU 12 HG LEU 12 2.385 -10.979 -5.493 705 HB2 LEU 12 HB2 LEU 12 2.180 -11.485 -8.461 706 HB3 LEU 12 HB1 LEU 12 2.424 -12.758 -7.276 707 HD11 LEU 12 HD11 LEU 12 1.429 -9.278 -7.787 708 HD12 LEU 12 HD12 LEU 12 2.921 -9.065 -6.870 709 HD13 LEU 12 HD13 LEU 12 1.360 -8.830 -6.084 710 HD21 LEU 12 HD21 LEU 12 0.450 -12.376 -5.889 711 HD22 LEU 12 HD22 LEU 12 -0.078 -11.315 -7.195 712 HD23 LEU 12 HD23 LEU 12 -0.060 -10.724 -5.531 713 H SER 13 HN SER 13 4.247 -13.717 -6.376 714 HA SER 13 HA SER 13 4.547 -12.985 -3.730 715 HG SER 13 HG SER 13 3.615 -15.635 -5.500 716 HB2 SER 13 HB2 SER 13 5.704 -15.450 -5.041 717 HB3 SER 13 HB1 SER 13 5.337 -15.249 -3.327 718 H ALA 14 HN ALA 14 7.060 -13.570 -6.158 719 HA ALA 14 HA ALA 14 9.269 -13.239 -4.439 720 HB1 ALA 14 HB1 ALA 14 10.569 -12.889 -6.492 721 HB2 ALA 14 HB2 ALA 14 9.073 -12.729 -7.411 722 HB3 ALA 14 HB3 ALA 14 9.475 -14.265 -6.644 723 H ILE 15 HN ILE 15 7.424 -10.939 -6.418 724 HA ILE 15 HA ILE 15 9.083 -8.705 -5.905 725 HB ILE 15 HB ILE 15 6.170 -8.822 -6.705 726 HG12 ILE 15 HG12 ILE 15 8.660 -8.258 -8.332 727 HG13 ILE 15 HG11 ILE 15 7.792 -9.788 -8.317 728 HG21 ILE 15 HG21 ILE 15 6.447 -6.468 -7.384 729 HG22 ILE 15 HG22 ILE 15 8.045 -6.458 -6.640 730 HG23 ILE 15 HG23 ILE 15 6.608 -6.691 -5.643 731 HD11 ILE 15 HD11 ILE 15 7.253 -8.453 -10.282 732 HD12 ILE 15 HD12 ILE 15 6.672 -7.152 -9.243 733 HD13 ILE 15 HD13 ILE 15 5.836 -8.705 -9.264 734 H VAL 16 HN VAL 16 6.065 -9.828 -4.360 735 HA VAL 16 HA VAL 16 5.923 -7.660 -2.531 736 HB VAL 16 HB VAL 16 4.809 -10.367 -1.845 737 HG11 VAL 16 HG11 VAL 16 3.047 -9.093 -0.822 738 HG12 VAL 16 HG12 VAL 16 3.668 -7.598 -1.523 739 HG13 VAL 16 HG13 VAL 16 4.598 -8.445 -0.282 740 HG21 VAL 16 HG21 VAL 16 3.641 -8.459 -3.864 741 HG22 VAL 16 HG22 VAL 16 2.806 -9.853 -3.180 742 HG23 VAL 16 HG23 VAL 16 4.239 -10.087 -4.183 743 H ASN 17 HN ASN 17 7.477 -10.804 -2.471 744 HA ASN 17 HA ASN 17 8.271 -10.764 0.246 745 HB2 ASN 17 HB2 ASN 17 8.273 -12.794 -1.240 746 HB3 ASN 17 HB1 ASN 17 9.694 -12.136 -2.042 747 HD21 ASN 17 HD21 ASN 17 8.459 -13.644 0.802 748 HD22 ASN 17 HD22 ASN 17 9.980 -13.930 1.572 749 H ASP 18 HN ASP 18 9.894 -9.732 -2.760 750 HA ASP 18 HA ASP 18 12.269 -8.876 -1.538 751 HB2 ASP 18 HB2 ASP 18 10.957 -8.381 -4.162 752 HB3 ASP 18 HB1 ASP 18 12.220 -7.261 -3.661 753 H MET 19 HN MET 19 9.182 -7.249 -2.107 754 HA MET 19 HA MET 19 9.929 -4.674 -1.332 755 HB2 MET 19 HB2 MET 19 7.320 -6.143 -0.938 756 HB3 MET 19 HB1 MET 19 7.535 -4.445 -0.534 757 HG2 MET 19 HG2 MET 19 7.848 -5.679 -3.260 758 HG3 MET 19 HG1 MET 19 6.496 -4.695 -2.704 759 HE1 MET 19 HE1 MET 19 6.711 -2.122 -2.067 760 HE2 MET 19 HE2 MET 19 8.212 -1.202 -2.192 761 HE3 MET 19 HE3 MET 19 8.052 -2.470 -0.975 762 H ILE 20 HN ILE 20 8.959 -7.445 0.643 763 HA ILE 20 HA ILE 20 9.225 -6.037 3.122 764 HB ILE 20 HB ILE 20 9.166 -9.021 2.630 765 HG12 ILE 20 HG12 ILE 20 7.151 -7.932 1.778 766 HG13 ILE 20 HG11 ILE 20 6.778 -8.855 3.230 767 HG21 ILE 20 HG21 ILE 20 8.465 -9.170 4.984 768 HG22 ILE 20 HG22 ILE 20 8.722 -7.434 5.154 769 HG23 ILE 20 HG23 ILE 20 10.086 -8.497 4.807 770 HD11 ILE 20 HD11 ILE 20 7.149 -5.872 3.066 771 HD12 ILE 20 HD12 ILE 20 6.803 -6.785 4.536 772 HD13 ILE 20 HD13 ILE 20 5.617 -6.732 3.231 773 H ALA 21 HN ALA 21 11.277 -8.249 1.268 774 HA ALA 21 HA ALA 21 13.312 -8.547 3.200 775 HB1 ALA 21 HB1 ALA 21 13.031 -10.037 1.261 776 HB2 ALA 21 HB2 ALA 21 14.675 -9.408 1.394 777 HB3 ALA 21 HB3 ALA 21 13.565 -8.732 0.202 778 H VAL 22 HN VAL 22 13.030 -6.340 0.428 779 HA VAL 22 HA VAL 22 15.471 -4.979 0.871 780 HB VAL 22 HB VAL 22 12.973 -3.988 -0.528 781 HG11 VAL 22 HG11 VAL 22 14.497 -2.170 0.068 782 HG12 VAL 22 HG12 VAL 22 14.442 -2.427 -1.676 783 HG13 VAL 22 HG13 VAL 22 15.817 -3.014 -0.741 784 HG21 VAL 22 HG21 VAL 22 13.752 -6.034 -1.550 785 HG22 VAL 22 HG22 VAL 22 15.407 -5.416 -1.595 786 HG23 VAL 22 HG23 VAL 22 14.160 -4.671 -2.596 787 H LEU 23 HN LEU 23 12.216 -4.554 2.083 788 HA LEU 23 HA LEU 23 12.587 -2.109 3.442 789 HG LEU 23 HG LEU 23 10.635 -1.539 4.942 790 HB2 LEU 23 HB2 LEU 23 10.401 -3.239 2.995 791 HB3 LEU 23 HB1 LEU 23 10.815 -4.445 4.194 792 HD11 LEU 23 HD11 LEU 23 8.380 -3.537 4.849 793 HD12 LEU 23 HD12 LEU 23 8.549 -2.114 3.823 794 HD13 LEU 23 HD13 LEU 23 8.304 -1.924 5.559 795 HD21 LEU 23 HD21 LEU 23 10.086 -2.471 7.139 796 HD22 LEU 23 HD22 LEU 23 11.642 -3.071 6.565 797 HD23 LEU 23 HD23 LEU 23 10.214 -4.104 6.482 798 H GLU 24 HN GLU 24 12.903 -5.474 4.530 799 HA GLU 24 HA GLU 24 13.670 -4.704 7.165 800 HB2 GLU 24 HB2 GLU 24 12.459 -6.833 6.500 801 HB3 GLU 24 HB1 GLU 24 14.016 -7.435 5.943 802 HG2 GLU 24 HG2 GLU 24 14.931 -7.202 8.176 803 HG3 GLU 24 HG1 GLU 24 13.403 -6.534 8.747 804 H LYS 25 HN LYS 25 15.440 -5.332 4.224 805 HA LYS 25 HA LYS 25 17.940 -5.804 5.515 806 HB2 LYS 25 HB2 LYS 25 18.940 -5.748 3.400 807 HB3 LYS 25 HB1 LYS 25 17.326 -6.362 3.083 808 HG2 LYS 25 HG2 LYS 25 16.663 -4.050 2.417 809 HG3 LYS 25 HG1 LYS 25 18.359 -3.584 2.568 810 HD2 LYS 25 HD2 LYS 25 17.228 -5.677 0.709 811 HD3 LYS 25 HD1 LYS 25 17.843 -4.088 0.250 812 HE2 LYS 25 HE2 LYS 25 19.488 -6.237 1.579 813 HE3 LYS 25 HE1 LYS 25 19.429 -5.968 -0.161 814 HZ1 LYS 25 HZ1 LYS 25 20.291 -3.921 1.811 815 HZ2 LYS 25 HZ2 LYS 25 20.375 -3.808 0.120 816 HZ3 LYS 25 HZ3 LYS 25 21.346 -4.924 0.950 817 H HIS 26 HN HIS 26 16.104 -2.969 4.743 818 HA HIS 26 HA HIS 26 18.242 -1.142 5.385 819 HD1 HIS 26 HD1 HIS 26 14.978 -1.090 2.662 820 HD2 HIS 26 HD2 HIS 26 18.287 1.241 3.585 821 HE1 HIS 26 HE1 HIS 26 15.788 -0.178 0.472 822 HE2 HIS 26 HE2 HIS 26 17.954 0.973 1.033 823 HB2 HIS 26 HB2 HIS 26 15.254 -0.785 5.112 824 HB3 HIS 26 HB1 HIS 26 16.310 0.520 5.636 825 H LYS 27 HN LYS 27 15.798 -2.947 6.995 826 HA LYS 27 HA LYS 27 15.424 -3.486 9.152 827 HB2 LYS 27 HB2 LYS 27 17.982 -3.587 9.116 828 HB3 LYS 27 HB1 LYS 27 17.949 -2.005 9.880 829 HG2 LYS 27 HG2 LYS 27 18.248 -3.742 11.538 830 HG3 LYS 27 HG1 LYS 27 16.691 -2.944 11.761 831 HD2 LYS 27 HD2 LYS 27 15.526 -4.782 10.773 832 HD3 LYS 27 HD1 LYS 27 17.038 -5.535 10.258 833 HE2 LYS 27 HE2 LYS 27 17.671 -5.912 12.562 834 HE3 LYS 27 HE1 LYS 27 16.238 -5.055 13.125 835 HZ1 LYS 27 HZ1 LYS 27 16.161 -7.574 13.119 836 HZ2 LYS 27 HZ2 LYS 27 16.035 -7.478 11.430 837 HZ3 LYS 27 HZ3 LYS 27 14.848 -6.770 12.415 838 H ALA 28 HN ALA 28 14.142 -1.249 8.126 839 HA ALA 28 HA ALA 28 14.202 0.706 10.307 840 HB1 ALA 28 HB1 ALA 28 14.236 1.592 8.021 841 HB2 ALA 28 HB2 ALA 28 12.774 2.080 8.879 842 HB3 ALA 28 HB3 ALA 28 12.705 0.784 7.684 843 HA PRO 29 HA PRO 29 10.707 -1.108 12.293 844 HB2 PRO 29 HB2 PRO 29 9.453 1.151 13.232 845 HB3 PRO 29 HB1 PRO 29 10.853 0.402 14.005 846 HG2 PRO 29 HG2 PRO 29 10.730 2.760 12.177 847 HG3 PRO 29 HG1 PRO 29 11.723 2.513 13.624 848 HD2 PRO 29 HD2 PRO 29 12.711 2.255 11.130 849 HD3 PRO 29 HD1 PRO 29 13.290 1.257 12.481 850 H VAL 30 HN VAL 30 8.390 -1.294 12.141 851 HA VAL 30 HA VAL 30 7.434 -1.189 9.535 852 HB VAL 30 HB VAL 30 6.563 -2.681 11.327 853 HG11 VAL 30 HG11 VAL 30 5.094 -0.210 12.240 854 HG12 VAL 30 HG12 VAL 30 6.332 -1.089 13.137 855 HG13 VAL 30 HG13 VAL 30 4.777 -1.852 12.801 856 HG21 VAL 30 HG21 VAL 30 4.252 -2.688 10.551 857 HG22 VAL 30 HG22 VAL 30 5.372 -2.427 9.213 858 HG23 VAL 30 HG23 VAL 30 4.466 -1.069 9.882 859 H ASP 31 HN ASP 31 7.439 1.268 11.960 860 HA ASP 31 HA ASP 31 5.242 2.798 11.030 861 HB2 ASP 31 HB2 ASP 31 6.171 3.097 13.278 862 HB3 ASP 31 HB1 ASP 31 7.686 3.673 12.585 863 H LEU 32 HN LEU 32 8.724 3.483 10.738 864 HA LEU 32 HA LEU 32 8.427 5.572 8.884 865 HG LEU 32 HG LEU 32 11.074 5.333 7.381 866 HB2 LEU 32 HB2 LEU 32 10.412 5.196 10.323 867 HB3 LEU 32 HB1 LEU 32 10.833 3.807 9.341 868 HD11 LEU 32 HD11 LEU 32 11.267 7.741 7.809 869 HD12 LEU 32 HD12 LEU 32 10.730 7.479 9.470 870 HD13 LEU 32 HD13 LEU 32 9.638 7.142 8.126 871 HD21 LEU 32 HD21 LEU 32 12.782 5.942 9.791 872 HD22 LEU 32 HD22 LEU 32 13.213 6.288 8.116 873 HD23 LEU 32 HD23 LEU 32 13.015 4.619 8.648 874 H SER 33 HN SER 33 9.002 2.127 8.474 875 HA SER 33 HA SER 33 9.536 2.215 5.703 876 HG SER 33 HG SER 33 10.303 -0.022 8.305 877 HB2 SER 33 HB2 SER 33 8.458 -0.108 7.320 878 HB3 SER 33 HB1 SER 33 9.332 -0.198 5.788 879 H LEU 34 HN LEU 34 6.559 2.032 7.565 880 HA LEU 34 HA LEU 34 4.879 1.360 5.357 881 HG LEU 34 HG LEU 34 2.556 1.056 5.946 882 HB2 LEU 34 HB2 LEU 34 4.363 1.098 7.839 883 HB3 LEU 34 HB1 LEU 34 4.047 2.820 7.862 884 HD11 LEU 34 HD11 LEU 34 0.822 0.748 7.640 885 HD12 LEU 34 HD12 LEU 34 1.850 1.530 8.839 886 HD13 LEU 34 HD13 LEU 34 2.337 -0.009 8.130 887 HD21 LEU 34 HD21 LEU 34 0.827 2.757 6.230 888 HD22 LEU 34 HD22 LEU 34 2.350 3.488 5.717 889 HD23 LEU 34 HD23 LEU 34 1.839 3.602 7.403 890 H ILE 35 HN ILE 35 6.083 4.348 6.758 891 HA ILE 35 HA ILE 35 4.434 6.137 5.337 892 HB ILE 35 HB ILE 35 7.290 6.632 6.196 893 HG12 ILE 35 HG12 ILE 35 4.729 7.104 7.741 894 HG13 ILE 35 HG11 ILE 35 5.860 5.790 8.050 895 HG21 ILE 35 HG21 ILE 35 6.432 8.314 4.673 896 HG22 ILE 35 HG22 ILE 35 6.571 8.981 6.300 897 HG23 ILE 35 HG23 ILE 35 4.991 8.512 5.672 898 HD11 ILE 35 HD11 ILE 35 6.423 8.734 8.330 899 HD12 ILE 35 HD12 ILE 35 7.597 7.444 8.582 900 HD13 ILE 35 HD13 ILE 35 6.191 7.574 9.637 901 H ALA 36 HN ALA 36 7.540 4.627 4.523 902 HA ALA 36 HA ALA 36 7.964 5.843 2.048 903 HB1 ALA 36 HB1 ALA 36 8.684 3.041 2.920 904 HB2 ALA 36 HB2 ALA 36 9.672 4.489 3.133 905 HB3 ALA 36 HB3 ALA 36 9.339 3.877 1.512 906 H LEU 37 HN LEU 37 6.117 2.948 2.912 907 HA LEU 37 HA LEU 37 5.272 2.274 0.310 908 HG LEU 37 HG LEU 37 2.370 1.374 1.065 909 HB2 LEU 37 HB2 LEU 37 5.094 0.737 2.205 910 HB3 LEU 37 HB1 LEU 37 3.918 1.790 2.966 911 HD11 LEU 37 HD11 LEU 37 4.437 -0.664 0.251 912 HD12 LEU 37 HD12 LEU 37 4.028 0.809 -0.630 913 HD13 LEU 37 HD13 LEU 37 2.832 -0.476 -0.455 914 HD21 LEU 37 HD21 LEU 37 3.336 -1.084 2.521 915 HD22 LEU 37 HD22 LEU 37 1.765 -0.896 1.738 916 HD23 LEU 37 HD23 LEU 37 2.181 0.100 3.134 917 H GLY 38 HN GLY 38 3.873 4.387 2.786 918 HA2 GLY 38 HA2 GLY 38 1.472 5.014 1.460 919 HA3 GLY 38 HA1 GLY 38 2.269 6.030 2.654 920 H ASN 39 HN ASN 39 4.625 6.661 1.405 921 HA ASN 39 HA ASN 39 3.933 8.688 -0.405 922 HB2 ASN 39 HB2 ASN 39 6.591 7.319 0.072 923 HB3 ASN 39 HB1 ASN 39 6.397 8.740 -0.946 924 HD21 ASN 39 HD21 ASN 39 7.965 8.414 1.461 925 HD22 ASN 39 HD22 ASN 39 7.386 9.596 2.581 926 H MET 40 HN MET 40 5.137 5.416 -0.926 927 HA MET 40 HA MET 40 5.384 5.514 -3.720 928 HB2 MET 40 HB2 MET 40 6.314 3.697 -2.364 929 HB3 MET 40 HB1 MET 40 4.692 3.171 -1.936 930 HG2 MET 40 HG2 MET 40 4.250 2.655 -4.294 931 HG3 MET 40 HG1 MET 40 5.893 3.146 -4.698 932 HE1 MET 40 HE1 MET 40 8.080 1.859 -3.776 933 HE2 MET 40 HE2 MET 40 7.984 0.473 -2.689 934 HE3 MET 40 HE3 MET 40 7.458 2.062 -2.138 935 H ALA 41 HN ALA 41 2.695 4.341 -1.704 936 HA ALA 41 HA ALA 41 0.918 3.671 -3.733 937 HB1 ALA 41 HB1 ALA 41 0.278 4.743 -0.986 938 HB2 ALA 41 HB2 ALA 41 0.557 3.054 -1.405 939 HB3 ALA 41 HB3 ALA 41 -0.849 3.901 -2.048 940 H SER 42 HN SER 42 1.206 6.750 -1.971 941 HA SER 42 HA SER 42 -0.836 8.136 -3.257 942 HG SER 42 HG SER 42 0.874 8.245 -0.507 943 HB2 SER 42 HB2 SER 42 1.772 9.273 -2.213 944 HB3 SER 42 HB1 SER 42 0.278 10.171 -2.479 945 H ASN 43 HN ASN 43 2.608 7.915 -4.090 946 HA ASN 43 HA ASN 43 2.544 9.647 -6.299 947 HB2 ASN 43 HB2 ASN 43 4.620 8.908 -5.171 948 HB3 ASN 43 HB1 ASN 43 4.391 7.295 -5.840 949 HD21 ASN 43 HD21 ASN 43 6.279 7.313 -7.015 950 HD22 ASN 43 HD22 ASN 43 6.520 8.322 -8.394 951 H LEU 44 HN LEU 44 1.997 6.162 -6.044 952 HA LEU 44 HA LEU 44 1.931 5.653 -8.824 953 HG LEU 44 HG LEU 44 3.057 4.082 -6.333 954 HB2 LEU 44 HB2 LEU 44 0.656 4.151 -6.539 955 HB3 LEU 44 HB1 LEU 44 0.741 3.561 -8.189 956 HD11 LEU 44 HD11 LEU 44 1.879 2.026 -5.855 957 HD12 LEU 44 HD12 LEU 44 3.433 1.664 -6.607 958 HD13 LEU 44 HD13 LEU 44 1.949 1.559 -7.554 959 HD21 LEU 44 HD21 LEU 44 4.496 3.316 -8.139 960 HD22 LEU 44 HD22 LEU 44 3.595 4.753 -8.632 961 HD23 LEU 44 HD23 LEU 44 3.100 3.162 -9.206 962 H LEU 45 HN LEU 45 -0.642 6.345 -6.484 963 HA LEU 45 HA LEU 45 -2.740 6.041 -8.380 964 HG LEU 45 HG LEU 45 -4.077 4.967 -7.047 965 HB2 LEU 45 HB2 LEU 45 -2.536 7.039 -5.589 966 HB3 LEU 45 HB1 LEU 45 -3.964 7.469 -6.517 967 HD11 LEU 45 HD11 LEU 45 -2.378 4.895 -4.572 968 HD12 LEU 45 HD12 LEU 45 -1.957 4.274 -6.169 969 HD13 LEU 45 HD13 LEU 45 -3.250 3.515 -5.239 970 HD21 LEU 45 HD21 LEU 45 -4.750 6.041 -4.314 971 HD22 LEU 45 HD22 LEU 45 -5.425 4.570 -5.018 972 HD23 LEU 45 HD23 LEU 45 -5.754 6.136 -5.760 973 H THR 46 HN THR 46 -0.588 8.542 -7.696 974 HA THR 46 HA THR 46 -2.321 10.498 -9.040 975 HB THR 46 HB THR 46 -0.548 12.173 -8.369 976 HG1 THR 46 HG1 THR 46 0.295 10.196 -6.523 977 HG21 THR 46 HG21 THR 46 -2.636 11.979 -7.144 978 HG22 THR 46 HG22 THR 46 -1.304 12.268 -6.024 979 HG23 THR 46 HG23 THR 46 -1.980 10.647 -6.191 980 H THR 47 HN THR 47 -0.157 8.270 -9.997 981 HA THR 47 HA THR 47 0.819 9.973 -12.191 982 HB THR 47 HB THR 47 2.351 7.755 -10.826 983 HG1 THR 47 HG1 THR 47 2.717 9.459 -9.571 984 HG21 THR 47 HG21 THR 47 4.204 8.395 -12.313 985 HG22 THR 47 HG22 THR 47 3.134 9.522 -13.149 986 HG23 THR 47 HG23 THR 47 2.819 7.788 -13.221 987 H SER 48 HN SER 48 0.005 6.647 -11.222 988 HA SER 48 HA SER 48 -0.137 5.928 -14.074 989 HG SER 48 HG SER 48 2.086 5.105 -13.406 990 HB2 SER 48 HB2 SER 48 0.061 4.075 -11.688 991 HB3 SER 48 HB1 SER 48 0.252 3.644 -13.390 992 H VAL 49 HN VAL 49 -2.228 7.284 -12.441 993 HA VAL 49 HA VAL 49 -4.226 5.310 -11.870 994 HB VAL 49 HB VAL 49 -4.077 7.323 -10.515 995 HG11 VAL 49 HG11 VAL 49 -3.313 8.898 -12.206 996 HG12 VAL 49 HG12 VAL 49 -4.735 9.511 -11.361 997 HG13 VAL 49 HG13 VAL 49 -4.894 8.839 -12.985 998 HG21 VAL 49 HG21 VAL 49 -6.650 7.177 -12.074 999 HG22 VAL 49 HG22 VAL 49 -6.443 7.972 -10.513 1000 HG23 VAL 49 HG23 VAL 49 -6.230 6.226 -10.650 1001 HA PRO 50 HA PRO 50 -5.981 5.275 -16.030 1002 HB2 PRO 50 HB2 PRO 50 -7.893 3.401 -14.853 1003 HB3 PRO 50 HB1 PRO 50 -6.718 3.134 -16.143 1004 HG2 PRO 50 HG2 PRO 50 -6.450 2.031 -13.690 1005 HG3 PRO 50 HG1 PRO 50 -5.058 2.505 -14.680 1006 HD2 PRO 50 HD2 PRO 50 -6.321 3.941 -12.372 1007 HD3 PRO 50 HD1 PRO 50 -4.600 3.712 -12.749 1008 H GLN 51 HN GLN 51 -7.147 6.475 -13.183 1009 HA GLN 51 HA GLN 51 -8.528 8.216 -12.791 1010 HB2 GLN 51 HB2 GLN 51 -8.081 9.050 -15.021 1011 HB3 GLN 51 HB1 GLN 51 -9.261 7.943 -15.708 1012 HG2 GLN 51 HG2 GLN 51 -11.059 9.114 -14.599 1013 HG3 GLN 51 HG1 GLN 51 -9.906 10.173 -13.789 1014 HE21 GLN 51 HE21 GLN 51 -11.445 9.375 -16.800 1015 HE22 GLN 51 HE22 GLN 51 -10.983 10.814 -17.650 1016 H THR 52 HN THR 52 -10.173 5.852 -14.871 1017 HA THR 52 HA THR 52 -12.608 6.347 -13.322 1018 HB THR 52 HB THR 52 -12.873 6.533 -15.717 1019 HG1 THR 52 HG1 THR 52 -14.525 5.398 -14.301 1020 HG21 THR 52 HG21 THR 52 -11.956 3.661 -15.857 1021 HG22 THR 52 HG22 THR 52 -11.071 5.069 -16.447 1022 HG23 THR 52 HG23 THR 52 -12.594 4.604 -17.204 1023 H GLN 53 HN GLN 53 -10.363 3.737 -14.059 1024 HA GLN 53 HA GLN 53 -12.099 1.778 -12.797 1025 HB2 GLN 53 HB2 GLN 53 -9.309 1.448 -13.911 1026 HB3 GLN 53 HB1 GLN 53 -10.368 0.147 -13.385 1027 HG2 GLN 53 HG2 GLN 53 -11.981 0.816 -15.137 1028 HG3 GLN 53 HG1 GLN 53 -10.813 2.008 -15.704 1029 HE21 GLN 53 HE21 GLN 53 -8.549 0.199 -15.087 1030 HE22 GLN 53 HE22 GLN 53 -8.545 -0.973 -16.367 1031 H CYS 54 HN CYS 54 -9.087 3.452 -12.131 1032 HA CYS 54 HA CYS 54 -8.185 1.897 -9.998 1033 HG CYS 54 HG CYS 54 -6.880 3.424 -7.852 1034 HB2 CYS 54 HB2 CYS 54 -6.812 3.564 -11.199 1035 HB3 CYS 54 HB1 CYS 54 -7.745 4.852 -10.446 1036 H GLU 55 HN GLU 55 -10.357 4.687 -10.043 1037 HA GLU 55 HA GLU 55 -10.411 5.210 -7.301 1038 HB2 GLU 55 HB2 GLU 55 -11.312 6.715 -9.037 1039 HB3 GLU 55 HB1 GLU 55 -12.629 5.584 -9.318 1040 HG2 GLU 55 HG2 GLU 55 -13.309 5.898 -6.946 1041 HG3 GLU 55 HG1 GLU 55 -12.082 7.157 -6.817 1042 H ALA 56 HN ALA 56 -12.817 3.420 -9.221 1043 HA ALA 56 HA ALA 56 -14.371 2.532 -7.099 1044 HB1 ALA 56 HB1 ALA 56 -15.103 2.448 -9.421 1045 HB2 ALA 56 HB2 ALA 56 -15.253 0.866 -8.657 1046 HB3 ALA 56 HB3 ALA 56 -13.915 1.189 -9.760 1047 H LEU 57 HN LEU 57 -11.620 0.940 -8.693 1048 HA LEU 57 HA LEU 57 -11.873 -1.483 -7.248 1049 HG LEU 57 HG LEU 57 -11.363 -0.796 -10.249 1050 HB2 LEU 57 HB2 LEU 57 -9.512 -0.332 -8.728 1051 HB3 LEU 57 HB1 LEU 57 -9.593 -1.970 -8.103 1052 HD11 LEU 57 HD11 LEU 57 -9.127 -1.228 -11.049 1053 HD12 LEU 57 HD12 LEU 57 -10.231 -2.443 -11.692 1054 HD13 LEU 57 HD13 LEU 57 -9.159 -2.847 -10.352 1055 HD21 LEU 57 HD21 LEU 57 -12.271 -3.049 -10.472 1056 HD22 LEU 57 HD22 LEU 57 -12.576 -2.400 -8.860 1057 HD23 LEU 57 HD23 LEU 57 -11.293 -3.587 -9.105 1058 H ALA 58 HN ALA 58 -9.872 1.403 -6.743 1059 HA ALA 58 HA ALA 58 -8.343 0.370 -4.608 1060 HB1 ALA 58 HB1 ALA 58 -9.108 3.240 -5.144 1061 HB2 ALA 58 HB2 ALA 58 -7.713 2.400 -5.819 1062 HB3 ALA 58 HB3 ALA 58 -7.809 2.694 -4.084 1063 H GLN 59 HN GLN 59 -11.368 2.224 -4.664 1064 HA GLN 59 HA GLN 59 -11.726 2.255 -1.855 1065 HB2 GLN 59 HB2 GLN 59 -13.681 2.547 -4.134 1066 HB3 GLN 59 HB1 GLN 59 -14.133 2.738 -2.445 1067 HG2 GLN 59 HG2 GLN 59 -12.698 4.624 -2.199 1068 HG3 GLN 59 HG1 GLN 59 -11.995 4.365 -3.795 1069 HE21 GLN 59 HE21 GLN 59 -14.546 3.702 -5.000 1070 HE22 GLN 59 HE22 GLN 59 -15.406 5.193 -5.183 1071 H ALA 60 HN ALA 60 -12.783 0.054 -4.410 1072 HA ALA 60 HA ALA 60 -14.437 -1.606 -2.890 1073 HB1 ALA 60 HB1 ALA 60 -14.032 -3.308 -4.612 1074 HB2 ALA 60 HB2 ALA 60 -12.704 -2.338 -5.251 1075 HB3 ALA 60 HB3 ALA 60 -14.358 -1.726 -5.319 1076 H PHE 61 HN PHE 61 -10.968 -1.949 -3.632 1077 HA PHE 61 HA PHE 61 -10.495 -4.233 -2.095 1078 HD1 PHE 61 HD2 PHE 61 -8.328 -5.644 -2.779 1079 HD2 PHE 61 HD1 PHE 61 -6.963 -2.023 -1.012 1080 HE1 PHE 61 HE2 PHE 61 -6.564 -6.886 -1.603 1081 HE2 PHE 61 HE1 PHE 61 -5.197 -3.260 0.169 1082 HZ PHE 61 HZ PHE 61 -4.995 -5.698 -0.129 1083 HB2 PHE 61 HB2 PHE 61 -8.869 -3.334 -3.718 1084 HB3 PHE 61 HB1 PHE 61 -8.595 -1.945 -2.672 1085 H SER 62 HN SER 62 -10.254 -0.805 -1.223 1086 HA SER 62 HA SER 62 -9.379 -1.141 1.403 1087 HG SER 62 HG SER 62 -9.297 1.079 -0.883 1088 HB2 SER 62 HB2 SER 62 -11.148 1.048 0.289 1089 HB3 SER 62 HB1 SER 62 -10.217 1.132 1.786 1090 H ASN 63 HN ASN 63 -12.724 -0.705 0.220 1091 HA ASN 63 HA ASN 63 -13.965 -0.964 2.725 1092 HB2 ASN 63 HB2 ASN 63 -14.952 -1.373 -0.090 1093 HB3 ASN 63 HB1 ASN 63 -15.999 -1.670 1.292 1094 HD21 ASN 63 HD21 ASN 63 -13.572 0.838 1.337 1095 HD22 ASN 63 HD22 ASN 63 -14.672 2.175 1.256 1096 H SER 64 HN SER 64 -13.094 -3.392 0.315 1097 HA SER 64 HA SER 64 -14.307 -5.588 1.608 1098 HG SER 64 HG SER 64 -13.579 -4.742 -1.363 1099 HB2 SER 64 HB2 SER 64 -11.895 -5.558 -0.220 1100 HB3 SER 64 HB1 SER 64 -12.852 -6.980 0.197 1101 H LEU 65 HN LEU 65 -11.192 -4.035 1.905 1102 HA LEU 65 HA LEU 65 -9.989 -5.948 3.610 1103 HG LEU 65 HG LEU 65 -8.032 -4.490 5.101 1104 HB2 LEU 65 HB2 LEU 65 -8.899 -4.064 2.244 1105 HB3 LEU 65 HB1 LEU 65 -9.362 -3.004 3.560 1106 HD11 LEU 65 HD11 LEU 65 -7.998 -6.475 3.667 1107 HD12 LEU 65 HD12 LEU 65 -6.367 -5.951 4.089 1108 HD13 LEU 65 HD13 LEU 65 -7.019 -5.602 2.486 1109 HD21 LEU 65 HD21 LEU 65 -6.568 -3.126 2.845 1110 HD22 LEU 65 HD22 LEU 65 -5.876 -3.549 4.410 1111 HD23 LEU 65 HD23 LEU 65 -7.171 -2.355 4.314 1112 H ILE 66 HN ILE 66 -11.888 -3.020 4.172 1113 HA ILE 66 HA ILE 66 -11.473 -2.783 6.929 1114 HB ILE 66 HB ILE 66 -14.036 -2.026 5.528 1115 HG12 ILE 66 HG12 ILE 66 -12.199 -1.075 4.252 1116 HG13 ILE 66 HG11 ILE 66 -13.000 0.195 5.166 1117 HG21 ILE 66 HG21 ILE 66 -14.139 -0.282 7.248 1118 HG22 ILE 66 HG22 ILE 66 -12.663 -0.916 7.972 1119 HG23 ILE 66 HG23 ILE 66 -14.126 -1.899 7.948 1120 HD11 ILE 66 HD11 ILE 66 -10.425 -1.151 5.941 1121 HD12 ILE 66 HD12 ILE 66 -11.208 0.178 6.798 1122 HD13 ILE 66 HD13 ILE 66 -10.569 0.428 5.172 1123 H ASN 67 HN ASN 67 -14.113 -4.461 5.170 1124 HA ASN 67 HA ASN 67 -15.286 -5.344 7.637 1125 HB2 ASN 67 HB2 ASN 67 -16.951 -6.446 6.367 1126 HB3 ASN 67 HB1 ASN 67 -16.592 -4.961 5.499 1127 HD21 ASN 67 HD21 ASN 67 -15.698 -5.063 3.486 1128 HD22 ASN 67 HD22 ASN 67 -15.531 -6.546 2.610 1129 H ALA 68 HN ALA 68 -12.853 -6.563 5.518 1130 HA ALA 68 HA ALA 68 -12.817 -9.238 6.447 1131 HB1 ALA 68 HB1 ALA 68 -11.591 -8.571 4.448 1132 HB2 ALA 68 HB2 ALA 68 -10.500 -9.288 5.636 1133 HB3 ALA 68 HB3 ALA 68 -10.543 -7.538 5.421 1134 H VAL 69 HN VAL 69 -11.135 -6.288 7.488 1135 HA VAL 69 HA VAL 69 -9.848 -7.381 9.733 1136 HB VAL 69 HB VAL 69 -10.847 -4.550 9.338 1137 HG11 VAL 69 HG11 VAL 69 -10.387 -5.013 11.684 1138 HG12 VAL 69 HG12 VAL 69 -9.162 -3.934 11.014 1139 HG13 VAL 69 HG13 VAL 69 -8.794 -5.641 11.263 1140 HG21 VAL 69 HG21 VAL 69 -9.306 -5.273 7.582 1141 HG22 VAL 69 HG22 VAL 69 -8.137 -5.763 8.807 1142 HG23 VAL 69 HG23 VAL 69 -8.562 -4.061 8.627 1143 H LYS 70 HN LYS 70 -13.070 -5.944 9.332 1144 HA LYS 70 HA LYS 70 -13.948 -5.989 11.968 1145 HB2 LYS 70 HB2 LYS 70 -15.413 -6.410 9.372 1146 HB3 LYS 70 HB1 LYS 70 -16.254 -6.440 10.916 1147 HG2 LYS 70 HG2 LYS 70 -15.443 -4.158 11.364 1148 HG3 LYS 70 HG1 LYS 70 -14.694 -4.139 9.765 1149 HD2 LYS 70 HD2 LYS 70 -16.788 -4.256 8.676 1150 HD3 LYS 70 HD1 LYS 70 -17.624 -4.683 10.170 1151 HE2 LYS 70 HE2 LYS 70 -18.014 -2.345 9.500 1152 HE3 LYS 70 HE1 LYS 70 -17.225 -2.480 11.071 1153 HZ1 LYS 70 HZ1 LYS 70 -16.238 -0.748 9.683 1154 HZ2 LYS 70 HZ2 LYS 70 -15.838 -1.906 8.508 1155 HZ3 LYS 70 HZ3 LYS 70 -15.116 -1.970 10.046 1156 H THR 71 HN THR 71 -13.905 -8.580 9.587 1157 HA THR 71 HA THR 71 -15.221 -10.484 11.248 1158 HB THR 71 HB THR 71 -13.484 -10.988 8.822 1159 HG1 THR 71 HG1 THR 71 -15.153 -9.627 8.201 1160 HG21 THR 71 HG21 THR 71 -13.957 -12.998 10.153 1161 HG22 THR 71 HG22 THR 71 -14.794 -13.043 8.601 1162 HG23 THR 71 HG23 THR 71 -15.683 -12.644 10.071 1163 H ARG 72 HN ARG 72 -11.828 -9.785 10.462 1164 HA ARG 72 HA ARG 72 -10.783 -12.034 11.862 1165 HE ARG 72 HE ARG 72 -8.230 -10.448 13.715 1166 HB2 ARG 72 HB2 ARG 72 -9.679 -10.534 10.033 1167 HB3 ARG 72 HB1 ARG 72 -9.209 -9.525 11.392 1168 HG2 ARG 72 HG2 ARG 72 -8.551 -12.220 12.019 1169 HG3 ARG 72 HG1 ARG 72 -7.949 -11.857 10.402 1170 HD2 ARG 72 HD2 ARG 72 -6.209 -11.280 11.887 1171 HD3 ARG 72 HD1 ARG 72 -6.941 -9.759 11.384 1172 HH11 ARG 72 HH11 ARG 72 -4.908 -9.893 12.761 1173 HH12 ARG 72 HH12 ARG 72 -4.411 -9.314 14.321 1174 HH21 ARG 72 HH21 ARG 72 -7.598 -9.685 15.775 1175 HH22 ARG 72 HH22 ARG 72 -5.945 -9.193 16.040 1176 H LEU 73 HN LEU 73 -11.599 -8.761 12.751 1177 HA LEU 73 HA LEU 73 -10.401 -8.876 15.356 1178 HG LEU 73 HG LEU 73 -12.324 -6.934 16.789 1179 HB2 LEU 73 HB2 LEU 73 -10.875 -6.754 14.145 1180 HB3 LEU 73 HB1 LEU 73 -12.591 -7.060 14.333 1181 HD11 LEU 73 HD11 LEU 73 -9.486 -6.164 16.122 1182 HD12 LEU 73 HD12 LEU 73 -10.006 -7.619 16.974 1183 HD13 LEU 73 HD13 LEU 73 -10.232 -6.034 17.715 1184 HD21 LEU 73 HD21 LEU 73 -12.988 -4.959 15.514 1185 HD22 LEU 73 HD22 LEU 73 -11.291 -4.532 15.287 1186 HD23 LEU 73 HD23 LEU 73 -11.996 -4.516 16.903 1187 H GLU 74 HN GLU 74 -13.447 -9.712 13.918 1188 HA GLU 74 HA GLU 74 -15.100 -11.106 14.598 1189 HB2 GLU 74 HB2 GLU 74 -13.045 -12.328 15.528 1190 HB3 GLU 74 HB1 GLU 74 -13.496 -11.659 17.087 1191 HG2 GLU 74 HG2 GLU 74 -15.635 -12.804 16.976 1192 HG3 GLU 74 HG1 GLU 74 -15.213 -13.456 15.391 1193 H HIS 75 HN HIS 75 -14.686 -8.238 15.706 1194 HA HIS 75 HA HIS 75 -16.750 -8.445 17.790 1195 HD1 HIS 75 HD1 HIS 75 -12.950 -8.991 18.586 1196 HD2 HIS 75 HD2 HIS 75 -16.249 -8.054 20.935 1197 HE1 HIS 75 HE1 HIS 75 -12.814 -10.512 20.580 1198 HE2 HIS 75 HE2 HIS 75 -14.938 -10.070 21.874 1199 HB2 HIS 75 HB2 HIS 75 -14.196 -6.866 17.837 1200 HB3 HIS 75 HB1 HIS 75 -15.589 -6.358 18.794 1201 H HIS 76 HN HIS 76 -17.405 -8.059 15.189 1202 HA HIS 76 HA HIS 76 -18.623 -5.415 15.366 1203 HD1 HIS 76 HD1 HIS 76 -17.826 -2.890 14.102 1204 HD2 HIS 76 HD2 HIS 76 -14.634 -5.540 13.856 1205 HE1 HIS 76 HE1 HIS 76 -15.777 -1.527 14.589 1206 HE2 HIS 76 HE2 HIS 76 -13.858 -3.084 14.078 1207 HB2 HIS 76 HB2 HIS 76 -17.073 -6.416 12.982 1208 HB3 HIS 76 HB1 HIS 76 -18.314 -5.177 12.834 1209 H HIS 77 HN HIS 77 -18.483 -8.078 12.998 1210 HA HIS 77 HA HIS 77 -21.269 -8.691 13.626 1211 HD1 HIS 77 HD1 HIS 77 -20.824 -5.740 10.361 1212 HD2 HIS 77 HD2 HIS 77 -23.563 -7.541 12.919 1213 HE1 HIS 77 HE1 HIS 77 -22.586 -3.999 10.804 1214 HE2 HIS 77 HE2 HIS 77 -24.338 -5.185 12.176 1215 HB2 HIS 77 HB2 HIS 77 -20.197 -8.054 10.887 1216 HB3 HIS 77 HB1 HIS 77 -21.613 -9.075 11.099 1217 H HIS 78 HN HIS 78 -19.834 -10.299 14.769 1218 HA HIS 78 HA HIS 78 -19.712 -12.661 13.020 1219 HD1 HIS 78 HD1 HIS 78 -18.064 -14.409 16.473 1220 HD2 HIS 78 HD2 HIS 78 -17.128 -14.548 12.427 1221 HE1 HIS 78 HE1 HIS 78 -17.382 -16.782 16.019 1222 HE2 HIS 78 HE2 HIS 78 -17.134 -16.889 13.522 1223 HB2 HIS 78 HB2 HIS 78 -17.419 -12.027 13.678 1224 HB3 HIS 78 HB1 HIS 78 -17.889 -12.089 15.374 1225 H HIS 79 HN HIS 79 -21.791 -13.240 13.544 1226 HA HIS 79 HA HIS 79 -22.455 -13.723 16.345 1227 HD1 HIS 79 HD1 HIS 79 -24.954 -12.437 17.100 1228 HD2 HIS 79 HD2 HIS 79 -25.868 -16.077 15.303 1229 HE1 HIS 79 HE1 HIS 79 -26.791 -13.442 18.494 1230 HE2 HIS 79 HE2 HIS 79 -27.415 -15.584 17.326 1231 HB2 HIS 79 HB2 HIS 79 -24.087 -12.745 14.612 1232 HB3 HIS 79 HB1 HIS 79 -24.179 -14.376 13.954 1233 H HIS 80 HN HIS 80 -21.571 -15.346 13.421 1234 HA HIS 80 HA HIS 80 -20.613 -17.607 14.826 1235 HD1 HIS 80 HD1 HIS 80 -21.606 -20.180 15.841 1236 HD2 HIS 80 HD2 HIS 80 -21.969 -20.315 11.702 1237 HE1 HIS 80 HE1 HIS 80 -20.879 -22.494 15.171 1238 HE2 HIS 80 HE2 HIS 80 -20.853 -22.447 12.650 1239 HB2 HIS 80 HB2 HIS 80 -23.014 -18.234 14.782 1240 HB3 HIS 80 HB1 HIS 80 -22.997 -18.109 13.024 Start of MODEL 19 1 HA MET 1 HA MET 1 26.472 4.491 13.221 2 H1 MET 1 HT1 MET 1 25.549 6.097 14.790 3 H2 MET 1 HT2 MET 1 26.552 4.961 15.542 4 H3 MET 1 HT3 MET 1 24.867 4.826 15.688 5 HB2 MET 1 HB2 MET 1 24.757 2.548 14.789 6 HB3 MET 1 HB1 MET 1 25.560 2.194 13.267 7 HG2 MET 1 HG2 MET 1 26.928 2.896 15.852 8 HG3 MET 1 HG1 MET 1 26.764 1.277 15.176 9 HE1 MET 1 HE1 MET 1 30.569 2.005 14.733 10 HE2 MET 1 HE2 MET 1 29.361 0.885 15.362 11 HE3 MET 1 HE3 MET 1 29.533 2.489 16.077 12 H ALA 2 HN ALA 2 25.476 5.184 11.481 13 HA ALA 2 HA ALA 2 23.886 5.826 9.996 14 HB1 ALA 2 HB1 ALA 2 22.121 3.881 11.484 15 HB2 ALA 2 HB2 ALA 2 23.183 3.488 10.131 16 HB3 ALA 2 HB3 ALA 2 21.803 4.560 9.887 17 H GLN 3 HN GLN 3 21.207 6.351 10.148 18 HA GLN 3 HA GLN 3 21.149 8.596 11.999 19 HB2 GLN 3 HB2 GLN 3 19.327 7.800 9.720 20 HB3 GLN 3 HB1 GLN 3 18.992 9.155 10.788 21 HG2 GLN 3 HG2 GLN 3 19.967 10.106 8.899 22 HG3 GLN 3 HG1 GLN 3 21.258 10.064 10.095 23 HE21 GLN 3 HE21 GLN 3 20.136 7.273 8.303 24 HE22 GLN 3 HE22 GLN 3 21.581 7.051 7.365 25 H HIS 4 HN HIS 4 19.964 8.654 13.796 26 HA HIS 4 HA HIS 4 18.582 6.292 14.671 27 HD1 HIS 4 HD1 HIS 4 19.287 6.605 18.376 28 HD2 HIS 4 HD2 HIS 4 21.679 8.104 15.317 29 HE1 HIS 4 HE1 HIS 4 21.657 6.075 19.042 30 HE2 HIS 4 HE2 HIS 4 23.081 7.181 17.282 31 HB2 HIS 4 HB2 HIS 4 18.827 9.055 15.879 32 HB3 HIS 4 HB1 HIS 4 17.950 7.738 16.649 33 H SER 5 HN SER 5 16.415 5.909 14.754 34 HA SER 5 HA SER 5 14.795 7.348 12.915 35 HG SER 5 HG SER 5 14.705 3.801 13.411 36 HB2 SER 5 HB2 SER 5 14.024 5.176 14.877 37 HB3 SER 5 HB1 SER 5 13.050 5.731 13.515 38 H LYS 6 HN LYS 6 14.746 9.452 13.761 39 HA LYS 6 HA LYS 6 12.780 9.792 15.939 40 HB2 LYS 6 HB2 LYS 6 14.876 11.794 15.061 41 HB3 LYS 6 HB1 LYS 6 13.782 11.951 16.425 42 HG2 LYS 6 HG2 LYS 6 14.913 10.016 17.487 43 HG3 LYS 6 HG1 LYS 6 16.071 10.017 16.153 44 HD2 LYS 6 HD2 LYS 6 15.577 12.252 18.123 45 HD3 LYS 6 HD1 LYS 6 17.003 11.216 18.037 46 HE2 LYS 6 HE2 LYS 6 17.589 12.128 15.882 47 HE3 LYS 6 HE1 LYS 6 16.102 13.072 15.836 48 HZ1 LYS 6 HZ1 LYS 6 17.902 14.484 16.475 49 HZ2 LYS 6 HZ2 LYS 6 18.377 13.430 17.711 50 HZ3 LYS 6 HZ3 LYS 6 16.906 14.262 17.830 51 H TYR 7 HN TYR 7 12.006 9.248 13.346 52 HA TYR 7 HA TYR 7 10.882 9.943 11.512 53 HD1 TYR 7 HD2 TYR 7 9.044 9.784 10.836 54 HD2 TYR 7 HD1 TYR 7 8.176 12.026 14.345 55 HE1 TYR 7 HE2 TYR 7 6.852 8.678 10.994 56 HE2 TYR 7 HE1 TYR 7 5.985 10.932 14.510 57 HH TYR 7 HH TYR 7 5.169 8.165 12.882 58 HB2 TYR 7 HB2 TYR 7 10.308 12.138 13.427 59 HB3 TYR 7 HB1 TYR 7 10.002 12.463 11.725 60 H SER 8 HN SER 8 12.663 9.904 10.163 61 HA SER 8 HA SER 8 13.814 12.528 9.573 62 HG SER 8 HG SER 8 16.673 10.866 8.104 63 HB2 SER 8 HB2 SER 8 15.516 10.857 10.153 64 HB3 SER 8 HB1 SER 8 14.878 9.759 8.931 65 H ASP 9 HN ASP 9 12.593 13.438 8.025 66 HA ASP 9 HA ASP 9 11.150 11.927 6.094 67 HB2 ASP 9 HB2 ASP 9 10.616 14.057 5.059 68 HB3 ASP 9 HB1 ASP 9 10.461 14.199 6.805 69 H ALA 10 HN ALA 10 14.368 12.786 6.430 70 HA ALA 10 HA ALA 10 15.049 12.779 3.617 71 HB1 ALA 10 HB1 ALA 10 16.401 14.058 5.212 72 HB2 ALA 10 HB2 ALA 10 17.366 12.831 4.390 73 HB3 ALA 10 HB3 ALA 10 16.829 12.565 6.049 74 H GLN 11 HN GLN 11 15.126 10.560 6.353 75 HA GLN 11 HA GLN 11 16.190 8.343 4.934 76 HB2 GLN 11 HB2 GLN 11 15.070 8.842 7.567 77 HB3 GLN 11 HB1 GLN 11 14.502 7.313 6.913 78 HG2 GLN 11 HG2 GLN 11 17.375 8.148 7.261 79 HG3 GLN 11 HG1 GLN 11 16.489 6.986 8.250 80 HE21 GLN 11 HE21 GLN 11 17.985 7.593 5.184 81 HE22 GLN 11 HE22 GLN 11 18.014 5.948 4.645 82 H LEU 12 HN LEU 12 12.943 9.506 5.625 83 HA LEU 12 HA LEU 12 11.439 7.438 4.565 84 HG LEU 12 HG LEU 12 8.433 9.528 4.944 85 HB2 LEU 12 HB2 LEU 12 10.560 9.381 5.847 86 HB3 LEU 12 HB1 LEU 12 10.816 10.394 4.441 87 HD11 LEU 12 HD11 LEU 12 7.900 9.378 2.564 88 HD12 LEU 12 HD12 LEU 12 9.615 9.199 2.191 89 HD13 LEU 12 HD13 LEU 12 9.018 10.701 2.897 90 HD21 LEU 12 HD21 LEU 12 7.918 7.352 3.919 91 HD22 LEU 12 HD22 LEU 12 8.993 7.202 5.311 92 HD23 LEU 12 HD23 LEU 12 9.644 7.075 3.676 93 H SER 13 HN SER 13 12.478 10.419 2.880 94 HA SER 13 HA SER 13 11.441 9.708 0.391 95 HG SER 13 HG SER 13 14.734 11.643 0.977 96 HB2 SER 13 HB2 SER 13 13.205 11.368 -0.466 97 HB3 SER 13 HB1 SER 13 11.999 11.970 0.670 98 H ALA 14 HN ALA 14 14.630 9.113 1.797 99 HA ALA 14 HA ALA 14 15.857 8.036 -0.484 100 HB1 ALA 14 HB1 ALA 14 16.388 7.363 2.408 101 HB2 ALA 14 HB2 ALA 14 17.094 8.709 1.517 102 HB3 ALA 14 HB3 ALA 14 17.471 7.051 1.052 103 H ILE 15 HN ILE 15 13.925 6.483 2.065 104 HA ILE 15 HA ILE 15 14.340 3.826 1.234 105 HB ILE 15 HB ILE 15 11.987 5.031 2.699 106 HG12 ILE 15 HG12 ILE 15 14.360 3.454 3.719 107 HG13 ILE 15 HG11 ILE 15 14.197 5.203 3.827 108 HG21 ILE 15 HG21 ILE 15 11.457 2.735 3.387 109 HG22 ILE 15 HG22 ILE 15 12.741 2.132 2.340 110 HG23 ILE 15 HG23 ILE 15 11.337 2.936 1.638 111 HD11 ILE 15 HD11 ILE 15 12.401 3.175 5.138 112 HD12 ILE 15 HD12 ILE 15 12.226 4.927 5.241 113 HD13 ILE 15 HD13 ILE 15 13.646 4.141 5.932 114 H VAL 16 HN VAL 16 11.787 6.168 0.409 115 HA VAL 16 HA VAL 16 10.368 4.331 -1.254 116 HB VAL 16 HB VAL 16 10.142 7.262 -1.767 117 HG11 VAL 16 HG11 VAL 16 8.100 5.078 -1.386 118 HG12 VAL 16 HG12 VAL 16 8.729 5.635 -2.939 119 HG13 VAL 16 HG13 VAL 16 7.777 6.725 -1.931 120 HG21 VAL 16 HG21 VAL 16 9.103 5.953 0.741 121 HG22 VAL 16 HG22 VAL 16 8.707 7.581 0.188 122 HG23 VAL 16 HG23 VAL 16 10.362 7.185 0.658 123 H ASN 17 HN ASN 17 12.779 6.835 -1.811 124 HA ASN 17 HA ASN 17 12.731 6.874 -4.615 125 HB2 ASN 17 HB2 ASN 17 13.833 8.586 -3.198 126 HB3 ASN 17 HB1 ASN 17 15.076 7.414 -2.776 127 HD21 ASN 17 HD21 ASN 17 13.827 9.513 -5.209 128 HD22 ASN 17 HD22 ASN 17 15.166 9.386 -6.302 129 H ASP 18 HN ASP 18 14.746 4.996 -2.362 130 HA ASP 18 HA ASP 18 16.300 3.758 -4.363 131 HB2 ASP 18 HB2 ASP 18 16.831 3.963 -1.858 132 HB3 ASP 18 HB1 ASP 18 15.741 2.599 -1.631 133 H MET 19 HN MET 19 13.354 2.916 -2.633 134 HA MET 19 HA MET 19 13.020 0.315 -3.637 135 HB2 MET 19 HB2 MET 19 11.757 1.277 -1.724 136 HB3 MET 19 HB1 MET 19 10.854 2.274 -2.855 137 HG2 MET 19 HG2 MET 19 9.551 0.348 -2.221 138 HG3 MET 19 HG1 MET 19 9.977 0.252 -3.928 139 HE1 MET 19 HE1 MET 19 10.714 -1.105 -0.316 140 HE2 MET 19 HE2 MET 19 12.287 -0.485 -0.821 141 HE3 MET 19 HE3 MET 19 12.047 -2.221 -0.620 142 H ILE 20 HN ILE 20 12.112 3.472 -4.956 143 HA ILE 20 HA ILE 20 10.636 2.618 -7.178 144 HB ILE 20 HB ILE 20 12.530 4.971 -6.963 145 HG12 ILE 20 HG12 ILE 20 9.517 4.838 -6.722 146 HG13 ILE 20 HG11 ILE 20 10.632 4.986 -5.369 147 HG21 ILE 20 HG21 ILE 20 11.350 5.899 -8.898 148 HG22 ILE 20 HG22 ILE 20 10.418 4.409 -9.041 149 HG23 ILE 20 HG23 ILE 20 12.162 4.384 -9.298 150 HD11 ILE 20 HD11 ILE 20 9.670 7.127 -5.898 151 HD12 ILE 20 HD12 ILE 20 10.217 6.992 -7.570 152 HD13 ILE 20 HD13 ILE 20 11.394 7.139 -6.266 153 H ALA 21 HN ALA 21 14.122 3.114 -6.787 154 HA ALA 21 HA ALA 21 14.856 2.219 -9.364 155 HB1 ALA 21 HB1 ALA 21 17.117 2.052 -8.463 156 HB2 ALA 21 HB2 ALA 21 16.483 2.217 -6.823 157 HB3 ALA 21 HB3 ALA 21 16.345 3.556 -7.960 158 H VAL 22 HN VAL 22 14.487 0.553 -6.258 159 HA VAL 22 HA VAL 22 15.439 -1.977 -7.014 160 HB VAL 22 HB VAL 22 13.193 -1.391 -5.068 161 HG11 VAL 22 HG11 VAL 22 15.040 -3.768 -5.267 162 HG12 VAL 22 HG12 VAL 22 13.327 -3.748 -5.692 163 HG13 VAL 22 HG13 VAL 22 13.825 -3.505 -4.017 164 HG21 VAL 22 HG21 VAL 22 15.100 -0.102 -4.395 165 HG22 VAL 22 HG22 VAL 22 16.177 -1.482 -4.645 166 HG23 VAL 22 HG23 VAL 22 14.994 -1.514 -3.339 167 H LEU 23 HN LEU 23 12.194 -0.572 -7.193 168 HA LEU 23 HA LEU 23 10.902 -2.826 -8.292 169 HG LEU 23 HG LEU 23 8.849 -1.408 -10.063 170 HB2 LEU 23 HB2 LEU 23 9.760 -0.891 -7.231 171 HB3 LEU 23 HB1 LEU 23 10.199 0.094 -8.614 172 HD11 LEU 23 HD11 LEU 23 7.271 -2.952 -9.020 173 HD12 LEU 23 HD12 LEU 23 7.984 -2.623 -7.440 174 HD13 LEU 23 HD13 LEU 23 8.940 -3.420 -8.691 175 HD21 LEU 23 HD21 LEU 23 7.917 0.675 -9.209 176 HD22 LEU 23 HD22 LEU 23 7.375 -0.154 -7.751 177 HD23 LEU 23 HD23 LEU 23 6.676 -0.573 -9.315 178 H GLU 24 HN GLU 24 12.600 -0.102 -9.718 179 HA GLU 24 HA GLU 24 11.887 -0.612 -12.411 180 HB2 GLU 24 HB2 GLU 24 12.739 1.556 -11.570 181 HB3 GLU 24 HB1 GLU 24 14.314 0.821 -11.315 182 HG2 GLU 24 HG2 GLU 24 14.550 0.432 -13.690 183 HG3 GLU 24 HG1 GLU 24 12.938 1.085 -13.978 184 H LYS 25 HN LYS 25 14.287 -1.954 -10.293 185 HA LYS 25 HA LYS 25 15.997 -3.049 -12.281 186 HB2 LYS 25 HB2 LYS 25 15.558 -3.769 -9.382 187 HB3 LYS 25 HB1 LYS 25 16.776 -4.533 -10.392 188 HG2 LYS 25 HG2 LYS 25 16.631 -1.592 -9.760 189 HG3 LYS 25 HG1 LYS 25 17.709 -2.757 -8.990 190 HD2 LYS 25 HD2 LYS 25 18.773 -3.211 -11.135 191 HD3 LYS 25 HD1 LYS 25 17.668 -2.090 -11.931 192 HE2 LYS 25 HE2 LYS 25 18.568 -0.246 -10.634 193 HE3 LYS 25 HE1 LYS 25 19.632 -1.352 -9.766 194 HZ1 LYS 25 HZ1 LYS 25 19.714 -0.831 -12.688 195 HZ2 LYS 25 HZ2 LYS 25 20.761 -1.854 -11.831 196 HZ3 LYS 25 HZ3 LYS 25 20.788 -0.181 -11.550 197 H HIS 26 HN HIS 26 12.977 -4.072 -10.906 198 HA HIS 26 HA HIS 26 13.294 -6.711 -12.170 199 HD1 HIS 26 HD1 HIS 26 14.014 -8.451 -10.640 200 HD2 HIS 26 HD2 HIS 26 12.457 -6.034 -7.627 201 HE1 HIS 26 HE1 HIS 26 15.385 -8.949 -8.586 202 HE2 HIS 26 HE2 HIS 26 14.445 -7.470 -6.775 203 HB2 HIS 26 HB2 HIS 26 11.340 -5.783 -10.061 204 HB3 HIS 26 HB1 HIS 26 11.300 -7.371 -10.812 205 H LYS 27 HN LYS 27 11.405 -3.806 -12.140 206 HA LYS 27 HA LYS 27 9.733 -2.984 -13.397 207 HB2 LYS 27 HB2 LYS 27 10.822 -4.983 -15.369 208 HB3 LYS 27 HB1 LYS 27 9.501 -3.890 -15.757 209 HG2 LYS 27 HG2 LYS 27 12.321 -3.155 -15.016 210 HG3 LYS 27 HG1 LYS 27 11.527 -2.940 -16.580 211 HD2 LYS 27 HD2 LYS 27 9.895 -1.417 -15.437 212 HD3 LYS 27 HD1 LYS 27 10.900 -1.525 -13.990 213 HE2 LYS 27 HE2 LYS 27 11.598 0.439 -15.048 214 HE3 LYS 27 HE1 LYS 27 12.824 -0.754 -15.477 215 HZ1 LYS 27 HZ1 LYS 27 12.247 0.461 -17.423 216 HZ2 LYS 27 HZ2 LYS 27 10.590 0.214 -17.172 217 HZ3 LYS 27 HZ3 LYS 27 11.587 -1.095 -17.591 218 H ALA 28 HN ALA 28 8.251 -3.790 -11.831 219 HA ALA 28 HA ALA 28 6.815 -6.221 -12.321 220 HB1 ALA 28 HB1 ALA 28 6.055 -3.861 -10.597 221 HB2 ALA 28 HB2 ALA 28 7.005 -5.249 -10.068 222 HB3 ALA 28 HB3 ALA 28 5.324 -5.465 -10.554 223 HA PRO 29 HA PRO 29 4.285 -4.631 -15.571 224 HB2 PRO 29 HB2 PRO 29 2.371 -6.544 -15.600 225 HB3 PRO 29 HB1 PRO 29 4.019 -6.831 -16.172 226 HG2 PRO 29 HG2 PRO 29 2.790 -7.516 -13.524 227 HG3 PRO 29 HG1 PRO 29 3.820 -8.515 -14.567 228 HD2 PRO 29 HD2 PRO 29 4.790 -7.201 -12.411 229 HD3 PRO 29 HD1 PRO 29 5.756 -7.461 -13.877 230 H VAL 30 HN VAL 30 3.797 -3.489 -12.931 231 HA VAL 30 HA VAL 30 2.337 -2.087 -11.927 232 HB VAL 30 HB VAL 30 0.486 -2.699 -14.241 233 HG11 VAL 30 HG11 VAL 30 -0.698 -0.651 -13.568 234 HG12 VAL 30 HG12 VAL 30 0.341 -0.532 -12.147 235 HG13 VAL 30 HG13 VAL 30 -0.764 -1.895 -12.319 236 HG21 VAL 30 HG21 VAL 30 2.576 -1.639 -14.931 237 HG22 VAL 30 HG22 VAL 30 2.323 -0.356 -13.748 238 HG23 VAL 30 HG23 VAL 30 1.216 -0.531 -15.108 239 H ASP 31 HN ASP 31 0.573 -4.843 -13.266 240 HA ASP 31 HA ASP 31 -1.441 -5.047 -11.367 241 HB2 ASP 31 HB2 ASP 31 -0.074 -7.211 -12.970 242 HB3 ASP 31 HB1 ASP 31 -1.503 -7.495 -11.988 243 H LEU 32 HN LEU 32 1.479 -7.076 -11.480 244 HA LEU 32 HA LEU 32 1.033 -8.307 -9.009 245 HG LEU 32 HG LEU 32 2.060 -9.176 -11.859 246 HB2 LEU 32 HB2 LEU 32 3.635 -7.917 -10.483 247 HB3 LEU 32 HB1 LEU 32 3.387 -9.032 -9.151 248 HD11 LEU 32 HD11 LEU 32 4.142 -10.918 -10.554 249 HD12 LEU 32 HD12 LEU 32 4.399 -9.823 -11.913 250 HD13 LEU 32 HD13 LEU 32 3.358 -11.235 -12.100 251 HD21 LEU 32 HD21 LEU 32 0.563 -9.942 -10.090 252 HD22 LEU 32 HD22 LEU 32 1.821 -11.018 -9.480 253 HD23 LEU 32 HD23 LEU 32 1.125 -11.290 -11.078 254 H SER 33 HN SER 33 2.560 -5.273 -9.791 255 HA SER 33 HA SER 33 3.902 -4.913 -7.317 256 HG SER 33 HG SER 33 3.844 -2.376 -6.932 257 HB2 SER 33 HB2 SER 33 4.399 -3.600 -9.390 258 HB3 SER 33 HB1 SER 33 2.857 -2.769 -9.186 259 H LEU 34 HN LEU 34 0.666 -4.227 -8.490 260 HA LEU 34 HA LEU 34 -0.111 -2.814 -6.114 261 HG LEU 34 HG LEU 34 -0.326 -1.998 -9.080 262 HB2 LEU 34 HB2 LEU 34 -1.727 -3.901 -8.417 263 HB3 LEU 34 HB1 LEU 34 -2.399 -2.955 -7.103 264 HD11 LEU 34 HD11 LEU 34 -2.509 -2.232 -10.098 265 HD12 LEU 34 HD12 LEU 34 -2.121 -0.526 -9.874 266 HD13 LEU 34 HD13 LEU 34 -3.248 -1.325 -8.777 267 HD21 LEU 34 HD21 LEU 34 -0.658 0.199 -8.051 268 HD22 LEU 34 HD22 LEU 34 -0.024 -0.967 -6.889 269 HD23 LEU 34 HD23 LEU 34 -1.732 -0.523 -6.853 270 H ILE 35 HN ILE 35 -0.329 -6.114 -7.308 271 HA ILE 35 HA ILE 35 -2.126 -7.022 -5.292 272 HB ILE 35 HB ILE 35 -0.081 -8.829 -6.551 273 HG12 ILE 35 HG12 ILE 35 -1.082 -7.452 -8.370 274 HG13 ILE 35 HG11 ILE 35 -1.498 -9.155 -8.485 275 HG21 ILE 35 HG21 ILE 35 -2.939 -9.214 -5.674 276 HG22 ILE 35 HG22 ILE 35 -1.497 -9.755 -4.816 277 HG23 ILE 35 HG23 ILE 35 -1.909 -10.459 -6.380 278 HD11 ILE 35 HD11 ILE 35 -3.268 -6.950 -7.464 279 HD12 ILE 35 HD12 ILE 35 -3.694 -8.661 -7.512 280 HD13 ILE 35 HD13 ILE 35 -3.399 -7.785 -9.013 281 H ALA 36 HN ALA 36 1.436 -7.256 -5.617 282 HA ALA 36 HA ALA 36 2.177 -8.228 -3.191 283 HB1 ALA 36 HB1 ALA 36 3.440 -5.922 -4.668 284 HB2 ALA 36 HB2 ALA 36 3.752 -7.635 -4.952 285 HB3 ALA 36 HB3 ALA 36 4.219 -6.895 -3.421 286 H LEU 37 HN LEU 37 1.574 -4.787 -3.920 287 HA LEU 37 HA LEU 37 1.841 -3.852 -1.285 288 HG LEU 37 HG LEU 37 2.368 -1.488 -1.618 289 HB2 LEU 37 HB2 LEU 37 0.793 -2.804 -3.826 290 HB3 LEU 37 HB1 LEU 37 0.106 -2.071 -2.388 291 HD11 LEU 37 HD11 LEU 37 3.593 -3.296 -2.739 292 HD12 LEU 37 HD12 LEU 37 4.283 -1.710 -3.085 293 HD13 LEU 37 HD13 LEU 37 3.285 -2.521 -4.293 294 HD21 LEU 37 HD21 LEU 37 2.781 0.279 -3.261 295 HD22 LEU 37 HD22 LEU 37 1.063 0.122 -2.892 296 HD23 LEU 37 HD23 LEU 37 1.705 -0.533 -4.399 297 H GLY 38 HN GLY 38 -1.015 -4.873 -3.101 298 HA2 GLY 38 HA2 GLY 38 -2.974 -4.267 -1.203 299 HA3 GLY 38 HA1 GLY 38 -3.098 -5.540 -2.408 300 H ASN 39 HN ASN 39 -1.248 -7.366 -1.689 301 HA ASN 39 HA ASN 39 -2.416 -8.626 0.565 302 HB2 ASN 39 HB2 ASN 39 -1.276 -9.812 -1.331 303 HB3 ASN 39 HB1 ASN 39 0.267 -9.257 -0.688 304 HD21 ASN 39 HD21 ASN 39 0.995 -11.344 -0.331 305 HD22 ASN 39 HD22 ASN 39 0.367 -12.346 0.931 306 H MET 40 HN MET 40 0.552 -6.776 0.106 307 HA MET 40 HA MET 40 1.708 -7.190 2.625 308 HB2 MET 40 HB2 MET 40 2.871 -6.150 0.702 309 HB3 MET 40 HB1 MET 40 1.869 -4.720 0.890 310 HG2 MET 40 HG2 MET 40 2.802 -4.468 3.195 311 HG3 MET 40 HG1 MET 40 3.920 -5.776 2.817 312 HE1 MET 40 HE1 MET 40 5.686 -5.621 0.769 313 HE2 MET 40 HE2 MET 40 5.883 -4.173 -0.220 314 HE3 MET 40 HE3 MET 40 4.395 -5.113 -0.318 315 H ALA 41 HN ALA 41 -0.450 -4.608 1.484 316 HA ALA 41 HA ALA 41 -0.588 -3.065 3.772 317 HB1 ALA 41 HB1 ALA 41 -1.561 -2.380 1.641 318 HB2 ALA 41 HB2 ALA 41 -2.755 -2.278 2.934 319 HB3 ALA 41 HB3 ALA 41 -2.804 -3.622 1.793 320 H SER 42 HN SER 42 -2.808 -5.679 2.832 321 HA SER 42 HA SER 42 -4.358 -5.669 5.156 322 HG SER 42 HG SER 42 -4.519 -6.582 1.997 323 HB2 SER 42 HB2 SER 42 -3.734 -8.048 3.390 324 HB3 SER 42 HB1 SER 42 -5.146 -7.848 4.429 325 H ASN 43 HN ASN 43 -1.513 -7.625 4.313 326 HA ASN 43 HA ASN 43 -1.555 -9.236 6.621 327 HB2 ASN 43 HB2 ASN 43 -0.314 -9.752 4.507 328 HB3 ASN 43 HB1 ASN 43 0.866 -8.523 4.951 329 HD21 ASN 43 HD21 ASN 43 2.517 -10.058 5.001 330 HD22 ASN 43 HD22 ASN 43 2.671 -11.212 6.280 331 H LEU 44 HN LEU 44 0.229 -6.237 5.895 332 HA LEU 44 HA LEU 44 1.629 -6.249 8.379 333 HG LEU 44 HG LEU 44 2.593 -5.658 5.425 334 HB2 LEU 44 HB2 LEU 44 1.134 -4.019 6.414 335 HB3 LEU 44 HB1 LEU 44 2.171 -3.878 7.820 336 HD11 LEU 44 HD11 LEU 44 4.615 -4.322 5.139 337 HD12 LEU 44 HD12 LEU 44 4.175 -3.349 6.543 338 HD13 LEU 44 HD13 LEU 44 3.169 -3.313 5.095 339 HD21 LEU 44 HD21 LEU 44 4.210 -5.473 7.968 340 HD22 LEU 44 HD22 LEU 44 4.663 -6.376 6.523 341 HD23 LEU 44 HD23 LEU 44 3.240 -6.853 7.450 342 H LEU 45 HN LEU 45 -1.381 -4.752 7.285 343 HA LEU 45 HA LEU 45 -1.693 -3.145 9.603 344 HG LEU 45 HG LEU 45 -2.147 -2.461 6.652 345 HB2 LEU 45 HB2 LEU 45 -3.708 -4.115 7.581 346 HB3 LEU 45 HB1 LEU 45 -4.104 -3.017 8.887 347 HD11 LEU 45 HD11 LEU 45 -4.901 -1.360 7.202 348 HD12 LEU 45 HD12 LEU 45 -4.456 -2.452 5.889 349 HD13 LEU 45 HD13 LEU 45 -3.807 -0.812 5.931 350 HD21 LEU 45 HD21 LEU 45 -2.059 -0.197 7.556 351 HD22 LEU 45 HD22 LEU 45 -1.489 -1.373 8.739 352 HD23 LEU 45 HD23 LEU 45 -3.103 -0.681 8.892 353 H THR 46 HN THR 46 -2.225 -6.490 8.979 354 HA THR 46 HA THR 46 -3.871 -6.695 11.391 355 HB THR 46 HB THR 46 -4.112 -9.119 10.695 356 HG1 THR 46 HG1 THR 46 -3.183 -8.205 8.165 357 HG21 THR 46 HG21 THR 46 -5.855 -7.444 10.286 358 HG22 THR 46 HG22 THR 46 -5.771 -8.615 8.970 359 HG23 THR 46 HG23 THR 46 -5.079 -7.007 8.762 360 H THR 47 HN THR 47 -0.701 -6.504 10.941 361 HA THR 47 HA THR 47 -0.153 -8.430 13.090 362 HB THR 47 HB THR 47 2.057 -8.950 12.000 363 HG1 THR 47 HG1 THR 47 0.935 -8.193 9.539 364 HG21 THR 47 HG21 THR 47 0.206 -10.551 11.942 365 HG22 THR 47 HG22 THR 47 1.135 -10.606 10.443 366 HG23 THR 47 HG23 THR 47 -0.425 -9.783 10.484 367 H SER 48 HN SER 48 1.003 -5.569 11.308 368 HA SER 48 HA SER 48 3.153 -5.279 13.268 369 HG SER 48 HG SER 48 3.209 -6.256 10.798 370 HB2 SER 48 HB2 SER 48 2.716 -3.827 10.652 371 HB3 SER 48 HB1 SER 48 4.165 -3.759 11.657 372 H VAL 49 HN VAL 49 0.453 -3.416 11.917 373 HA VAL 49 HA VAL 49 1.050 -1.193 13.681 374 HB VAL 49 HB VAL 49 -0.781 -0.026 12.654 375 HG11 VAL 49 HG11 VAL 49 -0.128 -0.086 10.290 376 HG12 VAL 49 HG12 VAL 49 0.748 -1.589 10.580 377 HG13 VAL 49 HG13 VAL 49 1.270 -0.098 11.365 378 HG21 VAL 49 HG21 VAL 49 -2.442 -1.764 12.576 379 HG22 VAL 49 HG22 VAL 49 -1.505 -2.659 11.380 380 HG23 VAL 49 HG23 VAL 49 -2.226 -1.106 10.954 381 HA PRO 50 HA PRO 50 -1.549 -2.199 17.116 382 HB2 PRO 50 HB2 PRO 50 -2.880 0.435 16.691 383 HB3 PRO 50 HB1 PRO 50 -2.138 -0.231 18.149 384 HG2 PRO 50 HG2 PRO 50 -0.894 1.650 16.745 385 HG3 PRO 50 HG1 PRO 50 0.012 0.306 17.466 386 HD2 PRO 50 HD2 PRO 50 -0.799 0.745 14.622 387 HD3 PRO 50 HD1 PRO 50 0.698 0.045 15.274 388 H GLN 51 HN GLN 51 -3.078 -3.679 16.821 389 HA GLN 51 HA GLN 51 -4.919 -3.624 14.674 390 HB2 GLN 51 HB2 GLN 51 -5.886 -5.639 15.723 391 HB3 GLN 51 HB1 GLN 51 -4.138 -5.726 15.579 392 HG2 GLN 51 HG2 GLN 51 -4.002 -5.002 17.978 393 HG3 GLN 51 HG1 GLN 51 -5.751 -5.215 18.063 394 HE21 GLN 51 HE21 GLN 51 -3.632 -7.226 16.153 395 HE22 GLN 51 HE22 GLN 51 -3.811 -8.664 17.097 396 H THR 52 HN THR 52 -5.030 -2.328 17.854 397 HA THR 52 HA THR 52 -7.887 -2.079 17.979 398 HB THR 52 HB THR 52 -6.485 -2.139 20.023 399 HG1 THR 52 HG1 THR 52 -8.284 -0.072 19.463 400 HG21 THR 52 HG21 THR 52 -5.210 -0.157 20.690 401 HG22 THR 52 HG22 THR 52 -5.566 0.599 19.139 402 HG23 THR 52 HG23 THR 52 -4.570 -0.855 19.202 403 H GLN 53 HN GLN 53 -5.585 -0.628 16.103 404 HA GLN 53 HA GLN 53 -7.317 1.700 15.601 405 HB2 GLN 53 HB2 GLN 53 -4.290 1.667 15.570 406 HB3 GLN 53 HB1 GLN 53 -5.292 3.022 15.077 407 HG2 GLN 53 HG2 GLN 53 -6.128 3.255 17.343 408 HG3 GLN 53 HG1 GLN 53 -5.177 1.858 17.850 409 HE21 GLN 53 HE21 GLN 53 -2.937 2.612 16.114 410 HE22 GLN 53 HE22 GLN 53 -2.144 3.938 16.893 411 H CYS 54 HN CYS 54 -6.770 -1.072 14.414 412 HA CYS 54 HA CYS 54 -5.296 -0.789 12.030 413 HG CYS 54 HG CYS 54 -4.879 -3.855 10.883 414 HB2 CYS 54 HB2 CYS 54 -5.803 -2.963 13.123 415 HB3 CYS 54 HB1 CYS 54 -7.488 -2.783 12.650 416 H GLU 55 HN GLU 55 -8.778 -0.720 12.667 417 HA GLU 55 HA GLU 55 -9.472 -0.213 9.946 418 HB2 GLU 55 HB2 GLU 55 -11.662 0.582 11.404 419 HB3 GLU 55 HB1 GLU 55 -11.361 -1.045 10.817 420 HG2 GLU 55 HG2 GLU 55 -11.980 -1.179 13.111 421 HG3 GLU 55 HG1 GLU 55 -10.267 -1.567 12.982 422 H ALA 56 HN ALA 56 -8.937 1.748 12.799 423 HA ALA 56 HA ALA 56 -9.870 4.209 11.831 424 HB1 ALA 56 HB1 ALA 56 -8.466 5.221 13.552 425 HB2 ALA 56 HB2 ALA 56 -7.606 3.696 13.758 426 HB3 ALA 56 HB3 ALA 56 -9.314 3.809 14.180 427 H LEU 57 HN LEU 57 -6.556 2.884 11.812 428 HA LEU 57 HA LEU 57 -5.472 5.059 10.353 429 HG LEU 57 HG LEU 57 -3.201 5.087 11.311 430 HB2 LEU 57 HB2 LEU 57 -4.517 2.367 11.164 431 HB3 LEU 57 HB1 LEU 57 -3.673 3.157 9.847 432 HD11 LEU 57 HD11 LEU 57 -4.501 3.417 13.456 433 HD12 LEU 57 HD12 LEU 57 -5.099 4.947 12.811 434 HD13 LEU 57 HD13 LEU 57 -3.589 4.902 13.723 435 HD21 LEU 57 HD21 LEU 57 -1.571 3.301 11.112 436 HD22 LEU 57 HD22 LEU 57 -2.349 2.423 12.428 437 HD23 LEU 57 HD23 LEU 57 -1.562 3.969 12.743 438 H ALA 58 HN ALA 58 -6.792 1.932 9.396 439 HA ALA 58 HA ALA 58 -6.003 1.945 6.712 440 HB1 ALA 58 HB1 ALA 58 -7.839 0.376 6.332 441 HB2 ALA 58 HB2 ALA 58 -8.514 0.780 7.910 442 HB3 ALA 58 HB3 ALA 58 -6.948 -0.023 7.800 443 H GLN 59 HN GLN 59 -9.044 3.118 8.174 444 HA GLN 59 HA GLN 59 -10.095 4.108 5.739 445 HB2 GLN 59 HB2 GLN 59 -10.763 4.623 8.621 446 HB3 GLN 59 HB1 GLN 59 -11.585 5.479 7.324 447 HG2 GLN 59 HG2 GLN 59 -12.265 3.295 6.381 448 HG3 GLN 59 HG1 GLN 59 -11.537 2.507 7.781 449 HE21 GLN 59 HE21 GLN 59 -14.325 2.608 6.833 450 HE22 GLN 59 HE22 GLN 59 -15.249 3.223 8.157 451 H ALA 60 HN ALA 60 -8.272 5.660 8.356 452 HA ALA 60 HA ALA 60 -8.400 8.293 7.415 453 HB1 ALA 60 HB1 ALA 60 -7.560 7.716 9.633 454 HB2 ALA 60 HB2 ALA 60 -6.390 8.693 8.744 455 HB3 ALA 60 HB3 ALA 60 -6.143 6.955 8.906 456 H PHE 61 HN PHE 61 -5.981 5.765 6.789 457 HA PHE 61 HA PHE 61 -4.365 7.214 5.018 458 HD1 PHE 61 HD2 PHE 61 -1.977 6.443 4.556 459 HD2 PHE 61 HD1 PHE 61 -4.346 3.195 3.160 460 HE1 PHE 61 HE2 PHE 61 -0.378 6.069 2.724 461 HE2 PHE 61 HE1 PHE 61 -2.750 2.813 1.327 462 HZ PHE 61 HZ PHE 61 -0.762 4.252 1.107 463 HB2 PHE 61 HB2 PHE 61 -3.686 5.084 6.026 464 HB3 PHE 61 HB1 PHE 61 -4.933 4.241 5.117 465 H SER 62 HN SER 62 -7.175 5.149 4.433 466 HA SER 62 HA SER 62 -7.165 5.226 1.642 467 HG SER 62 HG SER 62 -7.996 3.353 3.838 468 HB2 SER 62 HB2 SER 62 -9.524 5.004 3.522 469 HB3 SER 62 HB1 SER 62 -9.547 4.602 1.805 470 H ASN 63 HN ASN 63 -9.116 7.205 3.886 471 HA ASN 63 HA ASN 63 -10.334 8.763 1.904 472 HB2 ASN 63 HB2 ASN 63 -9.960 9.073 4.852 473 HB3 ASN 63 HB1 ASN 63 -10.589 10.432 3.926 474 HD21 ASN 63 HD21 ASN 63 -11.855 8.701 5.965 475 HD22 ASN 63 HD22 ASN 63 -13.277 8.079 5.204 476 H SER 64 HN SER 64 -7.246 9.161 3.505 477 HA SER 64 HA SER 64 -6.739 11.802 2.629 478 HG SER 64 HG SER 64 -5.846 9.920 5.079 479 HB2 SER 64 HB2 SER 64 -4.766 9.576 3.211 480 HB3 SER 64 HB1 SER 64 -4.378 11.291 3.094 481 H LEU 65 HN LEU 65 -6.092 8.618 1.190 482 HA LEU 65 HA LEU 65 -4.775 9.608 -1.122 483 HG LEU 65 HG LEU 65 -4.332 7.112 0.755 484 HB2 LEU 65 HB2 LEU 65 -6.286 7.028 -0.703 485 HB3 LEU 65 HB1 LEU 65 -5.284 7.383 -2.097 486 HD11 LEU 65 HD11 LEU 65 -4.955 4.999 -0.285 487 HD12 LEU 65 HD12 LEU 65 -3.209 5.115 -0.069 488 HD13 LEU 65 HD13 LEU 65 -3.919 5.364 -1.663 489 HD21 LEU 65 HD21 LEU 65 -2.087 7.323 -0.173 490 HD22 LEU 65 HD22 LEU 65 -3.032 8.781 -0.473 491 HD23 LEU 65 HD23 LEU 65 -2.766 7.620 -1.773 492 H ILE 66 HN ILE 66 -8.129 8.715 -0.422 493 HA ILE 66 HA ILE 66 -9.284 9.100 -2.917 494 HB ILE 66 HB ILE 66 -10.577 9.985 -0.335 495 HG12 ILE 66 HG12 ILE 66 -9.677 7.723 -0.020 496 HG13 ILE 66 HG11 ILE 66 -11.434 7.702 -0.083 497 HG21 ILE 66 HG21 ILE 66 -11.714 8.945 -2.925 498 HG22 ILE 66 HG22 ILE 66 -11.799 10.602 -2.323 499 HG23 ILE 66 HG23 ILE 66 -12.652 9.310 -1.478 500 HD11 ILE 66 HD11 ILE 66 -9.581 6.949 -2.326 501 HD12 ILE 66 HD12 ILE 66 -11.344 6.917 -2.384 502 HD13 ILE 66 HD13 ILE 66 -10.478 5.836 -1.293 503 H ASN 67 HN ASN 67 -8.671 11.429 -0.338 504 HA ASN 67 HA ASN 67 -9.794 13.692 -1.536 505 HB2 ASN 67 HB2 ASN 67 -9.070 13.461 0.864 506 HB3 ASN 67 HB1 ASN 67 -7.405 13.650 0.318 507 HD21 ASN 67 HD21 ASN 67 -10.400 15.203 0.952 508 HD22 ASN 67 HD22 ASN 67 -9.868 16.831 0.693 509 H ALA 68 HN ALA 68 -6.440 12.522 -1.547 510 HA ALA 68 HA ALA 68 -5.351 14.686 -2.977 511 HB1 ALA 68 HB1 ALA 68 -3.391 13.289 -3.279 512 HB2 ALA 68 HB2 ALA 68 -4.318 11.857 -2.830 513 HB3 ALA 68 HB3 ALA 68 -4.014 13.121 -1.637 514 H VAL 69 HN VAL 69 -6.443 11.491 -4.098 515 HA VAL 69 HA VAL 69 -5.714 11.920 -6.803 516 HB VAL 69 HB VAL 69 -7.755 10.002 -5.663 517 HG11 VAL 69 HG11 VAL 69 -7.441 8.733 -7.729 518 HG12 VAL 69 HG12 VAL 69 -6.370 9.993 -8.342 519 HG13 VAL 69 HG13 VAL 69 -8.075 10.346 -8.062 520 HG21 VAL 69 HG21 VAL 69 -5.959 8.345 -5.793 521 HG22 VAL 69 HG22 VAL 69 -5.525 9.680 -4.726 522 HG23 VAL 69 HG23 VAL 69 -4.845 9.595 -6.350 523 H LYS 70 HN LYS 70 -8.741 12.382 -5.025 524 HA LYS 70 HA LYS 70 -10.292 13.015 -7.323 525 HB2 LYS 70 HB2 LYS 70 -11.193 12.201 -5.132 526 HB3 LYS 70 HB1 LYS 70 -10.840 13.783 -4.455 527 HG2 LYS 70 HG2 LYS 70 -12.423 14.830 -5.905 528 HG3 LYS 70 HG1 LYS 70 -12.669 13.327 -6.795 529 HD2 LYS 70 HD2 LYS 70 -13.345 13.788 -3.889 530 HD3 LYS 70 HD1 LYS 70 -14.503 13.752 -5.220 531 HE2 LYS 70 HE2 LYS 70 -13.839 11.421 -5.693 532 HE3 LYS 70 HE1 LYS 70 -12.748 11.470 -4.310 533 HZ1 LYS 70 HZ1 LYS 70 -14.654 11.848 -2.864 534 HZ2 LYS 70 HZ2 LYS 70 -14.843 10.415 -3.749 535 HZ3 LYS 70 HZ3 LYS 70 -15.699 11.800 -4.202 536 H THR 71 HN THR 71 -8.439 14.925 -5.013 537 HA THR 71 HA THR 71 -9.252 17.451 -6.090 538 HB THR 71 HB THR 71 -6.848 16.785 -4.369 539 HG1 THR 71 HG1 THR 71 -8.510 16.336 -3.068 540 HG21 THR 71 HG21 THR 71 -6.896 19.144 -3.745 541 HG22 THR 71 HG22 THR 71 -8.236 19.423 -4.855 542 HG23 THR 71 HG23 THR 71 -6.653 18.965 -5.482 543 H ARG 72 HN ARG 72 -6.873 15.074 -6.916 544 HA ARG 72 HA ARG 72 -5.299 16.768 -8.585 545 HE ARG 72 HE ARG 72 -3.306 15.032 -12.326 546 HB2 ARG 72 HB2 ARG 72 -4.487 14.575 -7.742 547 HB3 ARG 72 HB1 ARG 72 -5.685 13.766 -8.741 548 HG2 ARG 72 HG2 ARG 72 -3.727 15.604 -10.035 549 HG3 ARG 72 HG1 ARG 72 -3.205 13.994 -9.539 550 HD2 ARG 72 HD2 ARG 72 -4.847 12.958 -10.926 551 HD3 ARG 72 HD1 ARG 72 -5.613 14.507 -11.273 552 HH11 ARG 72 HH11 ARG 72 -4.886 11.905 -12.349 553 HH12 ARG 72 HH12 ARG 72 -4.219 11.433 -13.881 554 HH21 ARG 72 HH21 ARG 72 -2.433 14.412 -14.344 555 HH22 ARG 72 HH22 ARG 72 -2.817 12.855 -15.013 556 H LEU 73 HN LEU 73 -8.039 14.596 -9.124 557 HA LEU 73 HA LEU 73 -8.325 15.061 -11.890 558 HG LEU 73 HG LEU 73 -11.353 14.907 -12.169 559 HB2 LEU 73 HB2 LEU 73 -9.408 13.218 -10.590 560 HB3 LEU 73 HB1 LEU 73 -10.492 14.404 -9.888 561 HD11 LEU 73 HD11 LEU 73 -9.656 12.545 -12.967 562 HD12 LEU 73 HD12 LEU 73 -9.410 14.219 -13.463 563 HD13 LEU 73 HD13 LEU 73 -10.850 13.346 -13.986 564 HD21 LEU 73 HD21 LEU 73 -11.537 12.033 -11.273 565 HD22 LEU 73 HD22 LEU 73 -12.640 12.824 -12.399 566 HD23 LEU 73 HD23 LEU 73 -12.550 13.369 -10.724 567 H GLU 74 HN GLU 74 -10.255 16.347 -9.202 568 HA GLU 74 HA GLU 74 -11.430 18.302 -8.947 569 HB2 GLU 74 HB2 GLU 74 -9.129 18.769 -8.262 570 HB3 GLU 74 HB1 GLU 74 -8.754 19.313 -9.889 571 HG2 GLU 74 HG2 GLU 74 -10.453 21.107 -9.612 572 HG3 GLU 74 HG1 GLU 74 -10.641 20.599 -7.931 573 H HIS 75 HN HIS 75 -13.060 18.285 -10.526 574 HA HIS 75 HA HIS 75 -12.443 19.699 -13.014 575 HD1 HIS 75 HD1 HIS 75 -13.886 18.327 -15.761 576 HD2 HIS 75 HD2 HIS 75 -12.628 15.921 -12.605 577 HE1 HIS 75 HE1 HIS 75 -12.629 16.421 -16.814 578 HE2 HIS 75 HE2 HIS 75 -12.065 14.886 -14.905 579 HB2 HIS 75 HB2 HIS 75 -14.686 17.886 -12.201 580 HB3 HIS 75 HB1 HIS 75 -14.888 18.996 -13.552 581 H HIS 76 HN HIS 76 -12.525 21.823 -12.727 582 HA HIS 76 HA HIS 76 -15.077 22.899 -11.787 583 HD1 HIS 76 HD1 HIS 76 -11.668 24.535 -8.697 584 HD2 HIS 76 HD2 HIS 76 -11.165 23.567 -12.714 585 HE1 HIS 76 HE1 HIS 76 -9.206 24.757 -9.149 586 HE2 HIS 76 HE2 HIS 76 -8.901 23.999 -11.528 587 HB2 HIS 76 HB2 HIS 76 -13.875 24.809 -10.677 588 HB3 HIS 76 HB1 HIS 76 -13.724 23.261 -9.868 589 H HIS 77 HN HIS 77 -15.663 23.153 -13.900 590 HA HIS 77 HA HIS 77 -14.027 24.370 -15.869 591 HD1 HIS 77 HD1 HIS 77 -17.171 25.874 -18.010 592 HD2 HIS 77 HD2 HIS 77 -14.414 22.801 -18.475 593 HE1 HIS 77 HE1 HIS 77 -16.481 25.943 -20.425 594 HE2 HIS 77 HE2 HIS 77 -14.662 24.209 -20.626 595 HB2 HIS 77 HB2 HIS 77 -16.111 22.859 -16.173 596 HB3 HIS 77 HB1 HIS 77 -17.036 24.348 -15.995 597 H HIS 78 HN HIS 78 -16.542 25.597 -13.727 598 HA HIS 78 HA HIS 78 -15.476 28.289 -14.230 599 HD1 HIS 78 HD1 HIS 78 -19.744 29.995 -14.622 600 HD2 HIS 78 HD2 HIS 78 -15.616 30.406 -14.315 601 HE1 HIS 78 HE1 HIS 78 -19.274 32.438 -14.980 602 HE2 HIS 78 HE2 HIS 78 -16.762 32.624 -14.991 603 HB2 HIS 78 HB2 HIS 78 -17.898 27.728 -15.120 604 HB3 HIS 78 HB1 HIS 78 -18.342 27.938 -13.429 605 H HIS 79 HN HIS 79 -15.008 29.438 -12.413 606 HA HIS 79 HA HIS 79 -14.790 27.937 -9.990 607 HD1 HIS 79 HD1 HIS 79 -14.121 31.439 -7.813 608 HD2 HIS 79 HD2 HIS 79 -11.943 28.045 -8.851 609 HE1 HIS 79 HE1 HIS 79 -12.796 30.823 -5.765 610 HE2 HIS 79 HE2 HIS 79 -11.627 28.667 -6.363 611 HB2 HIS 79 HB2 HIS 79 -13.139 29.678 -10.897 612 HB3 HIS 79 HB1 HIS 79 -14.255 30.890 -10.281 613 H HIS 80 HN HIS 80 -16.023 27.975 -8.235 614 HA HIS 80 HA HIS 80 -18.437 29.584 -8.210 615 HD1 HIS 80 HD1 HIS 80 -18.287 25.833 -8.601 616 HD2 HIS 80 HD2 HIS 80 -21.146 28.223 -6.753 617 HE1 HIS 80 HE1 HIS 80 -20.512 24.976 -9.401 618 HE2 HIS 80 HE2 HIS 80 -22.218 26.289 -8.084 619 HB2 HIS 80 HB2 HIS 80 -17.389 27.286 -6.634 620 HB3 HIS 80 HB1 HIS 80 -18.534 28.359 -5.836 621 HA MET 1 HA MET 1 -4.423 -24.335 -2.720 622 H1 MET 1 HT1 MET 1 -3.814 -26.252 -4.031 623 H2 MET 1 HT2 MET 1 -3.068 -25.258 -5.183 624 H3 MET 1 HT3 MET 1 -4.743 -25.158 -4.936 625 HB2 MET 1 HB2 MET 1 -2.228 -23.783 -1.871 626 HB3 MET 1 HB1 MET 1 -2.267 -25.484 -2.302 627 HG2 MET 1 HG2 MET 1 -1.071 -25.016 -4.360 628 HG3 MET 1 HG1 MET 1 -1.083 -23.293 -3.993 629 HE1 MET 1 HE1 MET 1 1.200 -23.151 -0.803 630 HE2 MET 1 HE2 MET 1 -0.556 -23.304 -0.858 631 HE3 MET 1 HE3 MET 1 0.270 -22.203 -1.963 632 H ALA 2 HN ALA 2 -2.946 -23.572 -5.801 633 HA ALA 2 HA ALA 2 -2.928 -20.733 -5.375 634 HB1 ALA 2 HB1 ALA 2 -1.410 -21.801 -6.974 635 HB2 ALA 2 HB2 ALA 2 -2.431 -20.598 -7.763 636 HB3 ALA 2 HB3 ALA 2 -2.790 -22.315 -7.943 637 H GLN 3 HN GLN 3 -4.504 -19.274 -5.842 638 HA GLN 3 HA GLN 3 -7.074 -20.403 -6.706 639 HB2 GLN 3 HB2 GLN 3 -6.533 -17.951 -5.022 640 HB3 GLN 3 HB1 GLN 3 -8.127 -18.522 -5.499 641 HG2 GLN 3 HG2 GLN 3 -7.753 -20.599 -4.261 642 HG3 GLN 3 HG1 GLN 3 -6.161 -20.022 -3.776 643 HE21 GLN 3 HE21 GLN 3 -7.111 -17.280 -3.416 644 HE22 GLN 3 HE22 GLN 3 -8.015 -17.279 -1.941 645 H HIS 4 HN HIS 4 -6.305 -20.183 -8.894 646 HA HIS 4 HA HIS 4 -6.268 -19.214 -10.930 647 HD1 HIS 4 HD1 HIS 4 -7.871 -15.102 -11.038 648 HD2 HIS 4 HD2 HIS 4 -8.001 -18.607 -13.271 649 HE1 HIS 4 HE1 HIS 4 -8.025 -14.372 -13.440 650 HE2 HIS 4 HE2 HIS 4 -7.796 -16.502 -14.761 651 HB2 HIS 4 HB2 HIS 4 -8.573 -18.600 -10.388 652 HB3 HIS 4 HB1 HIS 4 -8.014 -17.127 -9.604 653 H SER 5 HN SER 5 -4.037 -18.847 -10.804 654 HA SER 5 HA SER 5 -2.922 -16.416 -9.856 655 HG SER 5 HG SER 5 -0.880 -19.018 -9.580 656 HB2 SER 5 HB2 SER 5 -1.688 -18.231 -11.928 657 HB3 SER 5 HB1 SER 5 -0.870 -17.242 -10.718 658 H LYS 6 HN LYS 6 -3.298 -14.485 -10.761 659 HA LYS 6 HA LYS 6 -4.382 -14.096 -13.332 660 HB2 LYS 6 HB2 LYS 6 -4.504 -12.487 -11.383 661 HB3 LYS 6 HB1 LYS 6 -2.834 -12.059 -11.723 662 HG2 LYS 6 HG2 LYS 6 -3.499 -11.316 -13.971 663 HG3 LYS 6 HG1 LYS 6 -5.177 -11.696 -13.580 664 HD2 LYS 6 HD2 LYS 6 -5.010 -10.094 -11.667 665 HD3 LYS 6 HD1 LYS 6 -3.415 -9.631 -12.266 666 HE2 LYS 6 HE2 LYS 6 -4.430 -8.961 -14.401 667 HE3 LYS 6 HE1 LYS 6 -6.016 -9.408 -13.777 668 HZ1 LYS 6 HZ1 LYS 6 -5.887 -7.124 -13.465 669 HZ2 LYS 6 HZ2 LYS 6 -4.274 -7.168 -12.949 670 HZ3 LYS 6 HZ3 LYS 6 -5.510 -7.746 -11.932 671 H TYR 7 HN TYR 7 -1.097 -13.854 -12.086 672 HA TYR 7 HA TYR 7 -0.115 -14.130 -14.843 673 HD1 TYR 7 HD2 TYR 7 1.430 -11.941 -16.211 674 HD2 TYR 7 HD1 TYR 7 -0.746 -10.789 -12.735 675 HE1 TYR 7 HE2 TYR 7 0.538 -9.995 -17.420 676 HE2 TYR 7 HE1 TYR 7 -1.640 -8.845 -13.942 677 HH TYR 7 HH TYR 7 -1.079 -7.428 -15.840 678 HB2 TYR 7 HB2 TYR 7 1.039 -12.447 -12.611 679 HB3 TYR 7 HB1 TYR 7 1.961 -12.895 -14.042 680 H SER 8 HN SER 8 1.587 -14.085 -11.768 681 HA SER 8 HA SER 8 1.781 -16.960 -11.650 682 HG SER 8 HG SER 8 2.890 -16.602 -13.721 683 HB2 SER 8 HB2 SER 8 4.262 -15.225 -11.748 684 HB3 SER 8 HB1 SER 8 4.212 -16.977 -11.560 685 H ASP 9 HN ASP 9 1.073 -17.260 -9.646 686 HA ASP 9 HA ASP 9 1.106 -15.327 -7.605 687 HB2 ASP 9 HB2 ASP 9 0.559 -17.274 -6.102 688 HB3 ASP 9 HB1 ASP 9 -0.499 -17.106 -7.500 689 H ALA 10 HN ALA 10 3.440 -17.593 -8.697 690 HA ALA 10 HA ALA 10 5.080 -17.517 -6.332 691 HB1 ALA 10 HB1 ALA 10 5.737 -18.447 -9.127 692 HB2 ALA 10 HB2 ALA 10 5.142 -19.456 -7.808 693 HB3 ALA 10 HB3 ALA 10 6.732 -18.703 -7.693 694 H GLN 11 HN GLN 11 4.977 -15.912 -9.465 695 HA GLN 11 HA GLN 11 7.406 -14.456 -9.109 696 HB2 GLN 11 HB2 GLN 11 6.535 -14.858 -11.338 697 HB3 GLN 11 HB1 GLN 11 5.049 -14.004 -10.951 698 HG2 GLN 11 HG2 GLN 11 6.251 -11.922 -10.769 699 HG3 GLN 11 HG1 GLN 11 7.783 -12.758 -11.039 700 HE21 GLN 11 HE21 GLN 11 6.659 -14.539 -13.047 701 HE22 GLN 11 HE22 GLN 11 6.459 -13.579 -14.473 702 H LEU 12 HN LEU 12 3.986 -13.761 -8.626 703 HA LEU 12 HA LEU 12 4.088 -11.098 -7.881 704 HG LEU 12 HG LEU 12 2.421 -11.626 -5.158 705 HB2 LEU 12 HB2 LEU 12 1.955 -12.086 -8.106 706 HB3 LEU 12 HB1 LEU 12 2.335 -13.363 -6.961 707 HD11 LEU 12 HD11 LEU 12 2.847 -9.691 -6.559 708 HD12 LEU 12 HD12 LEU 12 1.398 -9.463 -5.583 709 HD13 LEU 12 HD13 LEU 12 1.252 -9.859 -7.295 710 HD21 LEU 12 HD21 LEU 12 0.449 -13.015 -5.441 711 HD22 LEU 12 HD22 LEU 12 -0.190 -11.892 -6.641 712 HD23 LEU 12 HD23 LEU 12 -0.008 -11.375 -4.961 713 H SER 13 HN SER 13 4.317 -13.948 -5.755 714 HA SER 13 HA SER 13 4.690 -12.245 -3.503 715 HG SER 13 HG SER 13 4.044 -15.647 -4.613 716 HB2 SER 13 HB2 SER 13 4.978 -14.404 -2.252 717 HB3 SER 13 HB1 SER 13 3.441 -14.188 -3.086 718 H ALA 14 HN ALA 14 6.807 -13.666 -5.772 719 HA ALA 14 HA ALA 14 9.146 -13.672 -4.154 720 HB1 ALA 14 HB1 ALA 14 8.891 -13.320 -7.141 721 HB2 ALA 14 HB2 ALA 14 9.063 -14.856 -6.290 722 HB3 ALA 14 HB3 ALA 14 10.380 -13.682 -6.268 723 H ILE 15 HN ILE 15 7.508 -11.270 -6.138 724 HA ILE 15 HA ILE 15 9.434 -9.216 -5.854 725 HB ILE 15 HB ILE 15 6.498 -9.162 -6.531 726 HG12 ILE 15 HG12 ILE 15 9.019 -8.731 -8.146 727 HG13 ILE 15 HG11 ILE 15 7.949 -10.128 -8.222 728 HG21 ILE 15 HG21 ILE 15 6.965 -7.062 -5.442 729 HG22 ILE 15 HG22 ILE 15 6.799 -6.799 -7.179 730 HG23 ILE 15 HG23 ILE 15 8.401 -6.826 -6.439 731 HD11 ILE 15 HD11 ILE 15 6.157 -8.678 -9.067 732 HD12 ILE 15 HD12 ILE 15 7.577 -8.687 -10.113 733 HD13 ILE 15 HD13 ILE 15 7.278 -7.314 -9.046 734 H VAL 16 HN VAL 16 6.409 -9.909 -4.100 735 HA VAL 16 HA VAL 16 6.767 -7.709 -2.320 736 HB VAL 16 HB VAL 16 4.544 -8.737 -2.894 737 HG11 VAL 16 HG11 VAL 16 3.830 -10.717 -2.205 738 HG12 VAL 16 HG12 VAL 16 4.793 -10.686 -0.724 739 HG13 VAL 16 HG13 VAL 16 5.558 -11.091 -2.259 740 HG21 VAL 16 HG21 VAL 16 4.787 -7.136 -1.076 741 HG22 VAL 16 HG22 VAL 16 5.179 -8.447 0.037 742 HG23 VAL 16 HG23 VAL 16 3.574 -8.356 -0.688 743 H ASN 17 HN ASN 17 7.917 -10.961 -2.393 744 HA ASN 17 HA ASN 17 8.629 -11.327 0.306 745 HB2 ASN 17 HB2 ASN 17 8.784 -13.037 -1.590 746 HB3 ASN 17 HB1 ASN 17 10.271 -12.234 -2.071 747 HD21 ASN 17 HD21 ASN 17 9.886 -14.959 -1.238 748 HD22 ASN 17 HD22 ASN 17 10.869 -15.202 0.171 749 H ASP 18 HN ASP 18 10.538 -10.052 -2.424 750 HA ASP 18 HA ASP 18 12.739 -9.146 -0.995 751 HB2 ASP 18 HB2 ASP 18 11.464 -8.259 -3.562 752 HB3 ASP 18 HB1 ASP 18 12.803 -7.340 -2.882 753 H MET 19 HN MET 19 9.798 -7.355 -1.891 754 HA MET 19 HA MET 19 10.420 -4.890 -0.860 755 HB2 MET 19 HB2 MET 19 7.762 -6.307 -0.944 756 HB3 MET 19 HB1 MET 19 7.933 -4.621 -0.476 757 HG2 MET 19 HG2 MET 19 8.890 -4.112 -2.666 758 HG3 MET 19 HG1 MET 19 8.717 -5.803 -3.131 759 HE1 MET 19 HE1 MET 19 7.460 -4.775 -5.308 760 HE2 MET 19 HE2 MET 19 7.513 -3.136 -4.661 761 HE3 MET 19 HE3 MET 19 5.982 -3.817 -5.211 762 H ILE 20 HN ILE 20 8.716 -7.477 0.923 763 HA ILE 20 HA ILE 20 8.620 -6.015 3.351 764 HB ILE 20 HB ILE 20 8.355 -8.994 2.902 765 HG12 ILE 20 HG12 ILE 20 6.260 -6.827 3.197 766 HG13 ILE 20 HG11 ILE 20 6.683 -7.640 1.694 767 HG21 ILE 20 HG21 ILE 20 7.234 -9.030 5.084 768 HG22 ILE 20 HG22 ILE 20 7.606 -7.320 5.300 769 HG23 ILE 20 HG23 ILE 20 8.911 -8.503 5.219 770 HD11 ILE 20 HD11 ILE 20 5.881 -9.751 2.605 771 HD12 ILE 20 HD12 ILE 20 4.623 -8.515 2.644 772 HD13 ILE 20 HD13 ILE 20 5.480 -8.948 4.123 773 H ALA 21 HN ALA 21 10.837 -8.508 2.131 774 HA ALA 21 HA ALA 21 12.268 -8.807 4.558 775 HB1 ALA 21 HB1 ALA 21 12.264 -10.510 2.804 776 HB2 ALA 21 HB2 ALA 21 13.903 -10.028 3.244 777 HB3 ALA 21 HB3 ALA 21 13.177 -9.427 1.752 778 H VAL 22 HN VAL 22 12.674 -6.669 1.791 779 HA VAL 22 HA VAL 22 15.220 -5.658 2.556 780 HB VAL 22 HB VAL 22 13.076 -4.432 0.802 781 HG11 VAL 22 HG11 VAL 22 14.516 -2.686 1.739 782 HG12 VAL 22 HG12 VAL 22 14.798 -2.889 0.011 783 HG13 VAL 22 HG13 VAL 22 15.942 -3.558 1.175 784 HG21 VAL 22 HG21 VAL 22 13.982 -6.467 -0.127 785 HG22 VAL 22 HG22 VAL 22 15.630 -5.908 0.167 786 HG23 VAL 22 HG23 VAL 22 14.620 -5.088 -1.025 787 H LEU 23 HN LEU 23 11.887 -4.580 3.146 788 HA LEU 23 HA LEU 23 12.511 -2.285 4.644 789 HG LEU 23 HG LEU 23 10.253 -3.051 2.679 790 HB2 LEU 23 HB2 LEU 23 10.152 -4.160 4.884 791 HB3 LEU 23 HB1 LEU 23 10.259 -2.593 5.664 792 HD11 LEU 23 HD11 LEU 23 8.013 -2.104 2.738 793 HD12 LEU 23 HD12 LEU 23 8.091 -1.994 4.496 794 HD13 LEU 23 HD13 LEU 23 8.099 -3.573 3.710 795 HD21 LEU 23 HD21 LEU 23 11.507 -1.065 3.315 796 HD22 LEU 23 HD22 LEU 23 10.153 -0.509 4.300 797 HD23 LEU 23 HD23 LEU 23 9.983 -0.622 2.548 798 H GLU 24 HN GLU 24 12.126 -5.663 5.543 799 HA GLU 24 HA GLU 24 12.460 -5.407 8.316 800 HB2 GLU 24 HB2 GLU 24 11.642 -7.447 7.186 801 HB3 GLU 24 HB1 GLU 24 13.251 -7.712 6.528 802 HG2 GLU 24 HG2 GLU 24 14.128 -7.952 8.803 803 HG3 GLU 24 HG1 GLU 24 12.498 -7.729 9.442 804 H LYS 25 HN LYS 25 14.872 -6.197 5.799 805 HA LYS 25 HA LYS 25 17.108 -6.261 7.490 806 HB2 LYS 25 HB2 LYS 25 16.896 -5.610 4.552 807 HB3 LYS 25 HB1 LYS 25 18.426 -5.787 5.394 808 HG2 LYS 25 HG2 LYS 25 17.794 -8.103 5.979 809 HG3 LYS 25 HG1 LYS 25 16.325 -7.910 5.016 810 HD2 LYS 25 HD2 LYS 25 17.661 -7.487 3.030 811 HD3 LYS 25 HD1 LYS 25 19.143 -7.599 3.979 812 HE2 LYS 25 HE2 LYS 25 18.788 -9.663 2.785 813 HE3 LYS 25 HE1 LYS 25 18.592 -9.939 4.513 814 HZ1 LYS 25 HZ1 LYS 25 16.896 -10.987 2.991 815 HZ2 LYS 25 HZ2 LYS 25 16.285 -9.426 2.727 816 HZ3 LYS 25 HZ3 LYS 25 16.279 -10.089 4.291 817 H HIS 26 HN HIS 26 15.498 -3.589 5.898 818 HA HIS 26 HA HIS 26 17.545 -1.670 6.480 819 HD1 HIS 26 HD1 HIS 26 17.506 0.286 3.903 820 HD2 HIS 26 HD2 HIS 26 14.952 1.481 6.969 821 HE1 HIS 26 HE1 HIS 26 17.812 2.775 4.116 822 HE2 HIS 26 HE2 HIS 26 16.371 3.454 6.070 823 HB2 HIS 26 HB2 HIS 26 15.832 -1.511 4.609 824 HB3 HIS 26 HB1 HIS 26 14.646 -1.097 5.840 825 H LYS 27 HN LYS 27 15.020 -3.117 8.247 826 HA LYS 27 HA LYS 27 14.227 -2.882 10.355 827 HB2 LYS 27 HB2 LYS 27 16.677 -1.154 10.752 828 HB3 LYS 27 HB1 LYS 27 15.691 -1.846 12.034 829 HG2 LYS 27 HG2 LYS 27 16.286 -4.100 11.230 830 HG3 LYS 27 HG1 LYS 27 17.335 -3.362 10.019 831 HD2 LYS 27 HD2 LYS 27 18.620 -2.290 11.837 832 HD3 LYS 27 HD1 LYS 27 17.605 -3.125 13.014 833 HE2 LYS 27 HE2 LYS 27 19.391 -4.423 10.961 834 HE3 LYS 27 HE1 LYS 27 19.719 -4.295 12.689 835 HZ1 LYS 27 HZ1 LYS 27 17.445 -5.774 11.469 836 HZ2 LYS 27 HZ2 LYS 27 17.775 -5.666 13.126 837 HZ3 LYS 27 HZ3 LYS 27 18.853 -6.475 12.096 838 H ALA 28 HN ALA 28 13.189 -1.188 8.389 839 HA ALA 28 HA ALA 28 13.002 1.498 9.397 840 HB1 ALA 28 HB1 ALA 28 12.870 1.047 6.997 841 HB2 ALA 28 HB2 ALA 28 11.410 1.852 7.577 842 HB3 ALA 28 HB3 ALA 28 11.392 0.119 7.250 843 HA PRO 29 HA PRO 29 9.830 0.628 12.395 844 HB2 PRO 29 HB2 PRO 29 9.043 3.233 12.747 845 HB3 PRO 29 HB1 PRO 29 10.455 2.514 13.529 846 HG2 PRO 29 HG2 PRO 29 10.310 4.218 11.073 847 HG3 PRO 29 HG1 PRO 29 11.476 4.275 12.409 848 HD2 PRO 29 HD2 PRO 29 12.086 3.117 10.066 849 HD3 PRO 29 HD1 PRO 29 12.674 2.458 11.609 850 H VAL 30 HN VAL 30 7.505 0.928 12.636 851 HA VAL 30 HA VAL 30 6.116 0.467 10.243 852 HB VAL 30 HB VAL 30 4.035 0.699 11.584 853 HG11 VAL 30 HG11 VAL 30 4.473 -1.185 13.083 854 HG12 VAL 30 HG12 VAL 30 6.209 -0.945 12.875 855 HG13 VAL 30 HG13 VAL 30 5.214 -1.432 11.500 856 HG21 VAL 30 HG21 VAL 30 5.923 1.416 13.828 857 HG22 VAL 30 HG22 VAL 30 4.199 1.080 13.999 858 HG23 VAL 30 HG23 VAL 30 4.736 2.489 13.084 859 H ASP 31 HN ASP 31 6.935 3.410 11.813 860 HA ASP 31 HA ASP 31 4.934 5.096 10.755 861 HB2 ASP 31 HB2 ASP 31 7.787 5.745 11.539 862 HB3 ASP 31 HB1 ASP 31 6.530 6.935 11.222 863 H LEU 32 HN LEU 32 8.334 4.823 9.738 864 HA LEU 32 HA LEU 32 7.906 6.409 7.430 865 HG LEU 32 HG LEU 32 9.969 6.545 9.743 866 HB2 LEU 32 HB2 LEU 32 10.234 4.657 8.203 867 HB3 LEU 32 HB1 LEU 32 10.235 5.759 6.838 868 HD11 LEU 32 HD11 LEU 32 12.227 5.846 9.173 869 HD12 LEU 32 HD12 LEU 32 12.157 7.592 9.414 870 HD13 LEU 32 HD13 LEU 32 12.227 6.930 7.780 871 HD21 LEU 32 HD21 LEU 32 10.126 8.268 7.276 872 HD22 LEU 32 HD22 LEU 32 10.092 8.837 8.945 873 HD23 LEU 32 HD23 LEU 32 8.687 8.013 8.266 874 H SER 33 HN SER 33 7.877 2.948 7.985 875 HA SER 33 HA SER 33 8.189 2.147 5.297 876 HG SER 33 HG SER 33 7.415 0.839 8.720 877 HB2 SER 33 HB2 SER 33 7.027 0.022 6.119 878 HB3 SER 33 HB1 SER 33 8.513 0.481 6.955 879 H LEU 34 HN LEU 34 5.286 2.788 7.252 880 HA LEU 34 HA LEU 34 3.439 2.189 5.201 881 HG LEU 34 HG LEU 34 3.395 1.561 8.215 882 HB2 LEU 34 HB2 LEU 34 3.173 3.929 7.647 883 HB3 LEU 34 HB1 LEU 34 1.839 3.560 6.570 884 HD11 LEU 34 HD11 LEU 34 0.567 2.581 8.454 885 HD12 LEU 34 HD12 LEU 34 1.902 2.940 9.549 886 HD13 LEU 34 HD13 LEU 34 1.282 1.294 9.424 887 HD21 LEU 34 HD21 LEU 34 1.033 1.156 6.381 888 HD22 LEU 34 HD22 LEU 34 1.758 -0.070 7.420 889 HD23 LEU 34 HD23 LEU 34 2.683 0.610 6.082 890 H ILE 35 HN ILE 35 5.111 5.165 6.103 891 HA ILE 35 HA ILE 35 3.641 6.886 4.411 892 HB ILE 35 HB ILE 35 6.519 7.208 5.287 893 HG12 ILE 35 HG12 ILE 35 3.971 8.234 6.562 894 HG13 ILE 35 HG11 ILE 35 4.952 6.912 7.184 895 HG21 ILE 35 HG21 ILE 35 5.948 8.673 3.440 896 HG22 ILE 35 HG22 ILE 35 6.087 9.611 4.928 897 HG23 ILE 35 HG23 ILE 35 4.496 9.210 4.282 898 HD11 ILE 35 HD11 ILE 35 5.372 8.973 8.395 899 HD12 ILE 35 HD12 ILE 35 5.834 9.774 6.892 900 HD13 ILE 35 HD13 ILE 35 6.812 8.448 7.523 901 H ALA 36 HN ALA 36 6.657 5.066 3.894 902 HA ALA 36 HA ALA 36 7.171 5.870 1.273 903 HB1 ALA 36 HB1 ALA 36 8.485 3.811 1.081 904 HB2 ALA 36 HB2 ALA 36 7.750 3.203 2.564 905 HB3 ALA 36 HB3 ALA 36 8.789 4.629 2.612 906 H LEU 37 HN LEU 37 5.178 3.217 2.521 907 HA LEU 37 HA LEU 37 4.351 2.206 0.022 908 HG LEU 37 HG LEU 37 5.067 0.929 2.770 909 HB2 LEU 37 HB2 LEU 37 2.948 2.166 2.696 910 HB3 LEU 37 HB1 LEU 37 2.449 1.236 1.296 911 HD11 LEU 37 HD11 LEU 37 4.153 -1.249 3.428 912 HD12 LEU 37 HD12 LEU 37 2.628 -0.838 2.646 913 HD13 LEU 37 HD13 LEU 37 3.179 0.084 4.045 914 HD21 LEU 37 HD21 LEU 37 5.306 0.470 0.383 915 HD22 LEU 37 HD22 LEU 37 3.927 -0.628 0.453 916 HD23 LEU 37 HD23 LEU 37 5.408 -1.017 1.327 917 H GLY 38 HN GLY 38 3.042 4.709 2.137 918 HA2 GLY 38 HA2 GLY 38 0.703 5.286 0.684 919 HA3 GLY 38 HA1 GLY 38 1.547 6.403 1.749 920 H ASN 39 HN ASN 39 4.011 6.518 0.369 921 HA ASN 39 HA ASN 39 3.464 8.442 -1.624 922 HB2 ASN 39 HB2 ASN 39 5.948 6.921 -0.870 923 HB3 ASN 39 HB1 ASN 39 5.934 7.980 -2.275 924 HD21 ASN 39 HD21 ASN 39 4.154 8.587 0.688 925 HD22 ASN 39 HD22 ASN 39 5.076 9.963 1.173 926 H MET 40 HN MET 40 4.431 5.039 -1.836 927 HA MET 40 HA MET 40 4.489 4.864 -4.644 928 HB2 MET 40 HB2 MET 40 4.022 2.794 -2.502 929 HB3 MET 40 HB1 MET 40 4.074 2.385 -4.210 930 HG2 MET 40 HG2 MET 40 6.298 3.672 -2.648 931 HG3 MET 40 HG1 MET 40 6.204 1.970 -3.102 932 HE1 MET 40 HE1 MET 40 8.518 1.942 -4.303 933 HE2 MET 40 HE2 MET 40 8.766 3.607 -3.777 934 HE3 MET 40 HE3 MET 40 9.041 3.163 -5.462 935 H ALA 41 HN ALA 41 1.922 4.079 -2.325 936 HA ALA 41 HA ALA 41 0.009 3.125 -4.082 937 HB1 ALA 41 HB1 ALA 41 -0.472 4.724 -1.567 938 HB2 ALA 41 HB2 ALA 41 -0.189 2.984 -1.647 939 HB3 ALA 41 HB3 ALA 41 -1.640 3.676 -2.373 940 H SER 42 HN SER 42 0.314 6.470 -2.879 941 HA SER 42 HA SER 42 -1.756 7.520 -4.457 942 HG SER 42 HG SER 42 1.059 8.287 -2.253 943 HB2 SER 42 HB2 SER 42 -0.624 9.743 -3.975 944 HB3 SER 42 HB1 SER 42 -1.036 8.775 -2.560 945 H ASN 43 HN ASN 43 1.734 7.344 -5.018 946 HA ASN 43 HA ASN 43 1.852 8.854 -7.370 947 HB2 ASN 43 HB2 ASN 43 3.827 8.188 -6.051 948 HB3 ASN 43 HB1 ASN 43 3.594 6.518 -6.552 949 HD21 ASN 43 HD21 ASN 43 4.200 5.888 -8.596 950 HD22 ASN 43 HD22 ASN 43 5.123 6.900 -9.653 951 H LEU 44 HN LEU 44 1.278 5.384 -6.901 952 HA LEU 44 HA LEU 44 1.180 4.890 -9.735 953 HG LEU 44 HG LEU 44 2.799 3.537 -7.408 954 HB2 LEU 44 HB2 LEU 44 0.394 3.150 -7.397 955 HB3 LEU 44 HB1 LEU 44 0.453 2.616 -9.068 956 HD11 LEU 44 HD11 LEU 44 2.067 0.821 -8.494 957 HD12 LEU 44 HD12 LEU 44 1.988 1.319 -6.805 958 HD13 LEU 44 HD13 LEU 44 3.547 1.221 -7.623 959 HD21 LEU 44 HD21 LEU 44 4.173 2.945 -9.318 960 HD22 LEU 44 HD22 LEU 44 3.011 4.197 -9.762 961 HD23 LEU 44 HD23 LEU 44 2.734 2.524 -10.246 962 H LEU 45 HN LEU 45 -1.139 5.395 -7.153 963 HA LEU 45 HA LEU 45 -3.418 4.559 -8.636 964 HG LEU 45 HG LEU 45 -5.597 6.099 -7.243 965 HB2 LEU 45 HB2 LEU 45 -3.198 4.649 -6.130 966 HB3 LEU 45 HB1 LEU 45 -3.333 6.392 -6.238 967 HD11 LEU 45 HD11 LEU 45 -5.168 3.210 -6.489 968 HD12 LEU 45 HD12 LEU 45 -5.311 3.846 -8.128 969 HD13 LEU 45 HD13 LEU 45 -6.687 3.922 -7.029 970 HD21 LEU 45 HD21 LEU 45 -5.146 4.863 -4.529 971 HD22 LEU 45 HD22 LEU 45 -6.683 5.489 -5.128 972 HD23 LEU 45 HD23 LEU 45 -5.321 6.583 -4.876 973 H THR 46 HN THR 46 -1.554 7.412 -8.719 974 HA THR 46 HA THR 46 -3.774 8.967 -9.815 975 HB THR 46 HB THR 46 -1.962 10.785 -9.963 976 HG1 THR 46 HG1 THR 46 -0.633 9.251 -8.003 977 HG21 THR 46 HG21 THR 46 -3.734 10.760 -8.263 978 HG22 THR 46 HG22 THR 46 -2.211 11.355 -7.603 979 HG23 THR 46 HG23 THR 46 -2.744 9.711 -7.250 980 H THR 47 HN THR 47 -1.015 7.162 -10.858 981 HA THR 47 HA THR 47 -1.070 8.496 -13.474 982 HB THR 47 HB THR 47 1.208 7.481 -13.778 983 HG1 THR 47 HG1 THR 47 1.349 7.135 -10.988 984 HG21 THR 47 HG21 THR 47 0.839 9.333 -11.417 985 HG22 THR 47 HG22 THR 47 0.956 9.817 -13.109 986 HG23 THR 47 HG23 THR 47 2.346 9.090 -12.303 987 H SER 48 HN SER 48 -1.264 5.315 -11.929 988 HA SER 48 HA SER 48 -0.917 4.007 -14.503 989 HG SER 48 HG SER 48 0.638 4.213 -12.420 990 HB2 SER 48 HB2 SER 48 -1.343 2.752 -11.784 991 HB3 SER 48 HB1 SER 48 -0.751 1.955 -13.244 992 H VAL 49 HN VAL 49 -3.403 4.063 -11.932 993 HA VAL 49 HA VAL 49 -5.181 2.407 -13.433 994 HB VAL 49 HB VAL 49 -6.836 2.851 -11.713 995 HG11 VAL 49 HG11 VAL 49 -4.080 2.425 -10.566 996 HG12 VAL 49 HG12 VAL 49 -5.143 1.187 -11.239 997 HG13 VAL 49 HG13 VAL 49 -5.600 2.033 -9.761 998 HG21 VAL 49 HG21 VAL 49 -6.383 4.359 -9.843 999 HG22 VAL 49 HG22 VAL 49 -6.442 5.231 -11.373 1000 HG23 VAL 49 HG23 VAL 49 -4.888 4.881 -10.618 1001 HA PRO 50 HA PRO 50 -7.181 5.183 -16.175 1002 HB2 PRO 50 HB2 PRO 50 -9.822 4.404 -15.757 1003 HB3 PRO 50 HB1 PRO 50 -8.688 3.640 -16.875 1004 HG2 PRO 50 HG2 PRO 50 -9.459 2.837 -14.105 1005 HG3 PRO 50 HG1 PRO 50 -9.135 1.821 -15.523 1006 HD2 PRO 50 HD2 PRO 50 -7.331 2.085 -13.567 1007 HD3 PRO 50 HD1 PRO 50 -6.833 1.994 -15.270 1008 H GLN 51 HN GLN 51 -7.463 7.267 -15.848 1009 HA GLN 51 HA GLN 51 -8.149 8.417 -13.385 1010 HB2 GLN 51 HB2 GLN 51 -8.228 10.549 -14.603 1011 HB3 GLN 51 HB1 GLN 51 -6.810 9.603 -15.033 1012 HG2 GLN 51 HG2 GLN 51 -7.897 8.895 -17.095 1013 HG3 GLN 51 HG1 GLN 51 -9.337 9.811 -16.659 1014 HE21 GLN 51 HE21 GLN 51 -9.236 11.105 -18.473 1015 HE22 GLN 51 HE22 GLN 51 -8.029 12.341 -18.670 1016 H THR 52 HN THR 52 -10.155 7.226 -15.902 1017 HA THR 52 HA THR 52 -12.453 8.823 -15.337 1018 HB THR 52 HB THR 52 -12.163 7.724 -17.516 1019 HG1 THR 52 HG1 THR 52 -14.410 7.448 -15.939 1020 HG21 THR 52 HG21 THR 52 -11.091 5.661 -16.779 1021 HG22 THR 52 HG22 THR 52 -12.523 5.308 -17.746 1022 HG23 THR 52 HG23 THR 52 -12.584 5.152 -15.989 1023 H GLN 53 HN GLN 53 -10.959 6.242 -13.739 1024 HA GLN 53 HA GLN 53 -13.364 5.772 -12.106 1025 HB2 GLN 53 HB2 GLN 53 -11.455 3.694 -13.193 1026 HB3 GLN 53 HB1 GLN 53 -12.618 3.376 -11.912 1027 HG2 GLN 53 HG2 GLN 53 -14.451 3.774 -13.387 1028 HG3 GLN 53 HG1 GLN 53 -13.372 4.347 -14.657 1029 HE21 GLN 53 HE21 GLN 53 -12.599 1.605 -12.654 1030 HE22 GLN 53 HE22 GLN 53 -12.767 0.407 -13.890 1031 H CYS 54 HN CYS 54 -10.890 7.412 -11.831 1032 HA CYS 54 HA CYS 54 -8.979 6.157 -10.231 1033 HG CYS 54 HG CYS 54 -10.410 9.725 -11.978 1034 HB2 CYS 54 HB2 CYS 54 -8.386 8.528 -9.553 1035 HB3 CYS 54 HB1 CYS 54 -8.380 8.188 -11.281 1036 H GLU 55 HN GLU 55 -11.769 8.144 -9.262 1037 HA GLU 55 HA GLU 55 -11.195 7.834 -6.482 1038 HB2 GLU 55 HB2 GLU 55 -13.690 8.732 -6.378 1039 HB3 GLU 55 HB1 GLU 55 -12.334 9.782 -6.752 1040 HG2 GLU 55 HG2 GLU 55 -14.146 10.253 -8.246 1041 HG3 GLU 55 HG1 GLU 55 -12.822 9.522 -9.149 1042 H ALA 56 HN ALA 56 -13.108 6.088 -8.796 1043 HA ALA 56 HA ALA 56 -14.612 4.574 -6.907 1044 HB1 ALA 56 HB1 ALA 56 -13.939 3.914 -9.772 1045 HB2 ALA 56 HB2 ALA 56 -15.336 4.846 -9.231 1046 HB3 ALA 56 HB3 ALA 56 -15.186 3.143 -8.791 1047 H LEU 57 HN LEU 57 -11.670 3.909 -8.790 1048 HA LEU 57 HA LEU 57 -11.263 1.316 -7.706 1049 HG LEU 57 HG LEU 57 -11.074 2.473 -10.575 1050 HB2 LEU 57 HB2 LEU 57 -9.325 3.218 -9.024 1051 HB3 LEU 57 HB1 LEU 57 -8.959 1.551 -8.627 1052 HD11 LEU 57 HD11 LEU 57 -8.834 2.811 -11.433 1053 HD12 LEU 57 HD12 LEU 57 -9.606 1.455 -12.257 1054 HD13 LEU 57 HD13 LEU 57 -8.399 1.156 -11.006 1055 HD21 LEU 57 HD21 LEU 57 -11.722 0.418 -9.445 1056 HD22 LEU 57 HD22 LEU 57 -10.162 -0.304 -9.833 1057 HD23 LEU 57 HD23 LEU 57 -11.293 0.097 -11.124 1058 H ALA 58 HN ALA 58 -10.258 4.534 -6.749 1059 HA ALA 58 HA ALA 58 -8.426 3.831 -4.742 1060 HB1 ALA 58 HB1 ALA 58 -8.870 6.052 -3.815 1061 HB2 ALA 58 HB2 ALA 58 -10.291 6.201 -4.849 1062 HB3 ALA 58 HB3 ALA 58 -8.683 6.116 -5.568 1063 H GLN 59 HN GLN 59 -11.944 4.249 -4.662 1064 HA GLN 59 HA GLN 59 -12.239 3.642 -1.904 1065 HB2 GLN 59 HB2 GLN 59 -14.125 3.724 -4.237 1066 HB3 GLN 59 HB1 GLN 59 -14.659 3.097 -2.684 1067 HG2 GLN 59 HG2 GLN 59 -13.484 5.837 -3.115 1068 HG3 GLN 59 HG1 GLN 59 -15.209 5.480 -3.025 1069 HE21 GLN 59 HE21 GLN 59 -13.556 7.178 -1.308 1070 HE22 GLN 59 HE22 GLN 59 -13.730 6.552 0.293 1071 H ALA 60 HN ALA 60 -12.324 1.692 -4.847 1072 HA ALA 60 HA ALA 60 -13.142 -0.734 -3.704 1073 HB1 ALA 60 HB1 ALA 60 -12.146 -1.810 -5.650 1074 HB2 ALA 60 HB2 ALA 60 -11.262 -0.334 -6.035 1075 HB3 ALA 60 HB3 ALA 60 -13.024 -0.358 -6.128 1076 H PHE 61 HN PHE 61 -9.901 0.645 -4.131 1077 HA PHE 61 HA PHE 61 -8.407 -1.436 -2.999 1078 HD1 PHE 61 HD1 PHE 61 -5.892 -1.610 -2.973 1079 HD2 PHE 61 HD2 PHE 61 -6.406 2.377 -1.567 1080 HE1 PHE 61 HE1 PHE 61 -3.798 -1.790 -1.702 1081 HE2 PHE 61 HE2 PHE 61 -4.315 2.198 -0.291 1082 HZ PHE 61 HZ PHE 61 -3.006 0.115 -0.357 1083 HB2 PHE 61 HB2 PHE 61 -7.325 0.366 -4.195 1084 HB3 PHE 61 HB1 PHE 61 -7.923 1.549 -3.044 1085 H SER 62 HN SER 62 -9.949 1.378 -1.509 1086 HA SER 62 HA SER 62 -9.122 0.889 1.129 1087 HG SER 62 HG SER 62 -10.206 2.633 2.573 1088 HB2 SER 62 HB2 SER 62 -10.097 3.029 0.369 1089 HB3 SER 62 HB1 SER 62 -11.659 2.236 0.169 1090 H ASN 63 HN ASN 63 -12.250 0.167 -0.418 1091 HA ASN 63 HA ASN 63 -13.494 -1.020 1.763 1092 HB2 ASN 63 HB2 ASN 63 -13.922 -1.575 -1.181 1093 HB3 ASN 63 HB1 ASN 63 -15.002 -2.105 0.098 1094 HD21 ASN 63 HD21 ASN 63 -14.653 0.387 1.621 1095 HD22 ASN 63 HD22 ASN 63 -15.567 1.580 0.765 1096 H SER 64 HN SER 64 -11.476 -2.474 -0.741 1097 HA SER 64 HA SER 64 -11.992 -5.147 0.025 1098 HG SER 64 HG SER 64 -9.891 -2.916 -1.951 1099 HB2 SER 64 HB2 SER 64 -10.019 -5.686 -1.397 1100 HB3 SER 64 HB1 SER 64 -11.208 -4.664 -2.199 1101 H LEU 65 HN LEU 65 -9.458 -2.825 0.911 1102 HA LEU 65 HA LEU 65 -7.933 -4.617 2.485 1103 HG LEU 65 HG LEU 65 -7.168 -2.226 0.593 1104 HB2 LEU 65 HB2 LEU 65 -8.240 -1.621 2.687 1105 HB3 LEU 65 HB1 LEU 65 -7.064 -2.556 3.589 1106 HD11 LEU 65 HD11 LEU 65 -5.073 -1.030 0.895 1107 HD12 LEU 65 HD12 LEU 65 -5.171 -1.271 2.640 1108 HD13 LEU 65 HD13 LEU 65 -6.367 -0.265 1.819 1109 HD21 LEU 65 HD21 LEU 65 -5.064 -3.492 0.583 1110 HD22 LEU 65 HD22 LEU 65 -6.419 -4.463 1.157 1111 HD23 LEU 65 HD23 LEU 65 -5.255 -3.808 2.309 1112 H ILE 66 HN ILE 66 -10.565 -2.371 3.305 1113 HA ILE 66 HA ILE 66 -10.527 -2.839 6.085 1114 HB ILE 66 HB ILE 66 -13.108 -2.267 4.662 1115 HG12 ILE 66 HG12 ILE 66 -11.513 -0.818 3.537 1116 HG13 ILE 66 HG11 ILE 66 -12.536 0.133 4.603 1117 HG21 ILE 66 HG21 ILE 66 -13.518 -0.855 6.613 1118 HG22 ILE 66 HG22 ILE 66 -11.910 -1.232 7.229 1119 HG23 ILE 66 HG23 ILE 66 -13.121 -2.507 7.092 1120 HD11 ILE 66 HD11 ILE 66 -9.726 -0.744 5.220 1121 HD12 ILE 66 HD12 ILE 66 -10.749 0.288 6.223 1122 HD13 ILE 66 HD13 ILE 66 -10.207 0.849 4.640 1123 H ASN 67 HN ASN 67 -12.225 -4.406 3.426 1124 HA ASN 67 HA ASN 67 -13.734 -6.185 5.049 1125 HB2 ASN 67 HB2 ASN 67 -14.361 -5.608 2.719 1126 HB3 ASN 67 HB1 ASN 67 -12.957 -6.499 2.140 1127 HD21 ASN 67 HD21 ASN 67 -13.059 -8.705 1.990 1128 HD22 ASN 67 HD22 ASN 67 -14.472 -9.624 2.369 1129 H ALA 68 HN ALA 68 -10.561 -6.359 3.516 1130 HA ALA 68 HA ALA 68 -10.030 -9.077 3.975 1131 HB1 ALA 68 HB1 ALA 68 -8.632 -7.645 2.550 1132 HB2 ALA 68 HB2 ALA 68 -7.676 -8.491 3.767 1133 HB3 ALA 68 HB3 ALA 68 -8.064 -6.783 3.980 1134 H VAL 69 HN VAL 69 -9.376 -6.217 5.981 1135 HA VAL 69 HA VAL 69 -8.310 -7.536 8.208 1136 HB VAL 69 HB VAL 69 -10.016 -5.035 8.190 1137 HG11 VAL 69 HG11 VAL 69 -8.071 -6.066 10.249 1138 HG12 VAL 69 HG12 VAL 69 -9.822 -5.952 10.425 1139 HG13 VAL 69 HG13 VAL 69 -8.851 -4.486 10.284 1140 HG21 VAL 69 HG21 VAL 69 -7.018 -5.340 8.027 1141 HG22 VAL 69 HG22 VAL 69 -7.902 -3.817 8.124 1142 HG23 VAL 69 HG23 VAL 69 -8.082 -4.851 6.706 1143 H LYS 70 HN LYS 70 -11.660 -6.837 7.320 1144 HA LYS 70 HA LYS 70 -12.874 -7.884 9.638 1145 HB2 LYS 70 HB2 LYS 70 -13.880 -7.540 6.817 1146 HB3 LYS 70 HB1 LYS 70 -14.896 -8.145 8.118 1147 HG2 LYS 70 HG2 LYS 70 -14.550 -6.064 9.351 1148 HG3 LYS 70 HG1 LYS 70 -13.539 -5.456 8.037 1149 HD2 LYS 70 HD2 LYS 70 -15.386 -5.471 6.518 1150 HD3 LYS 70 HD1 LYS 70 -16.403 -6.322 7.680 1151 HE2 LYS 70 HE2 LYS 70 -15.273 -3.555 8.074 1152 HE3 LYS 70 HE1 LYS 70 -16.913 -3.904 7.528 1153 HZ1 LYS 70 HZ1 LYS 70 -16.891 -3.464 9.888 1154 HZ2 LYS 70 HZ2 LYS 70 -15.736 -4.680 10.149 1155 HZ3 LYS 70 HZ3 LYS 70 -17.292 -5.090 9.622 1156 H THR 71 HN THR 71 -11.668 -9.395 6.727 1157 HA THR 71 HA THR 71 -12.900 -11.948 7.331 1158 HB THR 71 HB THR 71 -10.795 -11.393 5.229 1159 HG1 THR 71 HG1 THR 71 -12.696 -9.996 5.052 1160 HG21 THR 71 HG21 THR 71 -11.243 -13.761 5.679 1161 HG22 THR 71 HG22 THR 71 -11.844 -13.300 4.084 1162 HG23 THR 71 HG23 THR 71 -12.968 -13.487 5.431 1163 H ARG 72 HN ARG 72 -10.171 -10.278 8.327 1164 HA ARG 72 HA ARG 72 -8.688 -12.695 9.024 1165 HE ARG 72 HE ARG 72 -8.492 -12.830 7.321 1166 HB2 ARG 72 HB2 ARG 72 -8.101 -9.760 9.429 1167 HB3 ARG 72 HB1 ARG 72 -7.074 -11.044 10.049 1168 HG2 ARG 72 HG2 ARG 72 -7.716 -10.551 7.148 1169 HG3 ARG 72 HG1 ARG 72 -6.207 -10.141 7.966 1170 HD2 ARG 72 HD2 ARG 72 -5.795 -12.180 6.860 1171 HD3 ARG 72 HD1 ARG 72 -6.020 -12.579 8.562 1172 HH11 ARG 72 HH11 ARG 72 -5.336 -14.349 7.140 1173 HH12 ARG 72 HH12 ARG 72 -5.988 -15.906 6.721 1174 HH21 ARG 72 HH21 ARG 72 -9.336 -14.866 6.806 1175 HH22 ARG 72 HH22 ARG 72 -8.261 -16.206 6.523 1176 H LEU 73 HN LEU 73 -10.157 -9.924 10.596 1177 HA LEU 73 HA LEU 73 -9.971 -10.792 13.247 1178 HG LEU 73 HG LEU 73 -12.669 -9.770 14.332 1179 HB2 LEU 73 HB2 LEU 73 -10.591 -8.505 12.542 1180 HB3 LEU 73 HB1 LEU 73 -12.143 -9.109 11.996 1181 HD11 LEU 73 HD11 LEU 73 -11.281 -8.902 16.149 1182 HD12 LEU 73 HD12 LEU 73 -10.103 -8.321 14.972 1183 HD13 LEU 73 HD13 LEU 73 -10.389 -10.052 15.152 1184 HD21 LEU 73 HD21 LEU 73 -13.044 -7.493 15.156 1185 HD22 LEU 73 HD22 LEU 73 -13.453 -7.643 13.447 1186 HD23 LEU 73 HD23 LEU 73 -11.942 -6.870 13.926 1187 H GLU 74 HN GLU 74 -12.435 -11.403 10.782 1188 HA GLU 74 HA GLU 74 -13.820 -13.216 12.606 1189 HB2 GLU 74 HB2 GLU 74 -14.547 -11.875 10.046 1190 HB3 GLU 74 HB1 GLU 74 -15.327 -13.403 10.436 1191 HG2 GLU 74 HG2 GLU 74 -15.282 -11.050 12.306 1192 HG3 GLU 74 HG1 GLU 74 -16.572 -11.345 11.140 1193 H HIS 75 HN HIS 75 -13.000 -15.142 12.731 1194 HA HIS 75 HA HIS 75 -12.382 -16.593 10.270 1195 HD1 HIS 75 HD1 HIS 75 -9.856 -18.198 13.713 1196 HD2 HIS 75 HD2 HIS 75 -10.465 -14.103 13.302 1197 HE1 HIS 75 HE1 HIS 75 -9.305 -17.195 15.960 1198 HE2 HIS 75 HE2 HIS 75 -9.906 -14.756 15.742 1199 HB2 HIS 75 HB2 HIS 75 -10.321 -17.538 11.356 1200 HB3 HIS 75 HB1 HIS 75 -10.208 -15.828 10.958 1201 H HIS 76 HN HIS 76 -13.831 -18.168 10.317 1202 HA HIS 76 HA HIS 76 -14.300 -19.555 12.878 1203 HD1 HIS 76 HD1 HIS 76 -17.699 -17.239 10.553 1204 HD2 HIS 76 HD2 HIS 76 -15.667 -17.627 14.173 1205 HE1 HIS 76 HE1 HIS 76 -18.230 -15.164 11.864 1206 HE2 HIS 76 HE2 HIS 76 -16.805 -15.313 13.930 1207 HB2 HIS 76 HB2 HIS 76 -16.284 -19.258 10.612 1208 HB3 HIS 76 HB1 HIS 76 -16.582 -19.992 12.178 1209 H HIS 77 HN HIS 77 -14.455 -21.801 12.827 1210 HA HIS 77 HA HIS 77 -13.363 -23.064 10.428 1211 HD1 HIS 77 HD1 HIS 77 -11.013 -24.115 10.690 1212 HD2 HIS 77 HD2 HIS 77 -11.783 -23.233 14.682 1213 HE1 HIS 77 HE1 HIS 77 -8.797 -23.460 11.682 1214 HE2 HIS 77 HE2 HIS 77 -9.253 -23.165 14.143 1215 HB2 HIS 77 HB2 HIS 77 -13.863 -24.115 13.217 1216 HB3 HIS 77 HB1 HIS 77 -13.340 -25.138 11.885 1217 H HIS 78 HN HIS 78 -16.128 -23.337 12.613 1218 HA HIS 78 HA HIS 78 -17.602 -24.907 10.634 1219 HD1 HIS 78 HD1 HIS 78 -19.631 -27.121 13.398 1220 HD2 HIS 78 HD2 HIS 78 -15.649 -25.982 13.025 1221 HE1 HIS 78 HE1 HIS 78 -18.282 -29.146 14.035 1222 HE2 HIS 78 HE2 HIS 78 -15.886 -28.494 13.590 1223 HB2 HIS 78 HB2 HIS 78 -18.220 -24.077 13.481 1224 HB3 HIS 78 HB1 HIS 78 -19.402 -24.861 12.442 1225 H HIS 79 HN HIS 79 -18.471 -23.741 9.061 1226 HA HIS 79 HA HIS 79 -19.519 -22.093 7.909 1227 HD1 HIS 79 HD1 HIS 79 -20.960 -19.118 10.751 1228 HD2 HIS 79 HD2 HIS 79 -22.495 -20.740 7.244 1229 HE1 HIS 79 HE1 HIS 79 -22.228 -17.253 9.644 1230 HE2 HIS 79 HE2 HIS 79 -23.320 -18.312 7.640 1231 HB2 HIS 79 HB2 HIS 79 -21.455 -22.464 9.241 1232 HB3 HIS 79 HB1 HIS 79 -20.750 -21.650 10.632 1233 H HIS 80 HN HIS 80 -17.931 -20.791 7.201 1234 HA HIS 80 HA HIS 80 -16.545 -18.959 8.872 1235 HD1 HIS 80 HD1 HIS 80 -17.491 -17.468 4.806 1236 HD2 HIS 80 HD2 HIS 80 -16.394 -21.467 5.157 1237 HE1 HIS 80 HE1 HIS 80 -18.261 -18.577 2.683 1238 HE2 HIS 80 HE2 HIS 80 -17.408 -20.943 2.834 1239 HB2 HIS 80 HB2 HIS 80 -15.721 -17.980 6.678 1240 HB3 HIS 80 HB1 HIS 80 -15.332 -19.667 6.974 Start of MODEL 20 1 HA MET 1 HA MET 1 10.104 8.643 21.835 2 H1 MET 1 HT1 MET 1 12.157 10.411 23.022 3 H2 MET 1 HT2 MET 1 11.053 9.449 23.877 4 H3 MET 1 HT3 MET 1 10.494 10.743 22.935 5 HB2 MET 1 HB2 MET 1 12.275 10.320 20.556 6 HB3 MET 1 HB1 MET 1 11.292 9.138 19.706 7 HG2 MET 1 HG2 MET 1 9.285 10.441 20.234 8 HG3 MET 1 HG1 MET 1 10.289 11.633 21.059 9 HE1 MET 1 HE1 MET 1 9.205 13.554 17.833 10 HE2 MET 1 HE2 MET 1 9.278 13.587 19.596 11 HE3 MET 1 HE3 MET 1 8.237 12.423 18.777 12 H ALA 2 HN ALA 2 10.861 6.672 21.091 13 HA ALA 2 HA ALA 2 13.010 5.581 22.601 14 HB1 ALA 2 HB1 ALA 2 12.471 3.486 21.547 15 HB2 ALA 2 HB2 ALA 2 11.523 4.309 20.310 16 HB3 ALA 2 HB3 ALA 2 10.975 4.312 21.987 17 H GLN 3 HN GLN 3 15.044 6.081 22.141 18 HA GLN 3 HA GLN 3 17.040 6.176 21.062 19 HB2 GLN 3 HB2 GLN 3 15.580 4.276 19.222 20 HB3 GLN 3 HB1 GLN 3 17.276 4.681 19.023 21 HG2 GLN 3 HG2 GLN 3 17.201 2.622 20.162 22 HG3 GLN 3 HG1 GLN 3 17.655 3.837 21.351 23 HE21 GLN 3 HE21 GLN 3 15.142 1.710 20.240 24 HE22 GLN 3 HE22 GLN 3 14.181 1.768 21.679 25 H HIS 4 HN HIS 4 17.488 6.032 18.178 26 HA HIS 4 HA HIS 4 16.591 8.715 17.460 27 HD1 HIS 4 HD1 HIS 4 18.937 10.553 16.515 28 HD2 HIS 4 HD2 HIS 4 20.296 7.150 18.482 29 HE1 HIS 4 HE1 HIS 4 20.773 11.338 18.044 30 HE2 HIS 4 HE2 HIS 4 21.712 9.233 19.065 31 HB2 HIS 4 HB2 HIS 4 18.624 6.841 16.256 32 HB3 HIS 4 HB1 HIS 4 18.140 8.335 15.467 33 H SER 5 HN SER 5 14.824 6.317 17.494 34 HA SER 5 HA SER 5 14.113 5.969 14.696 35 HG SER 5 HG SER 5 11.399 4.864 15.423 36 HB2 SER 5 HB2 SER 5 13.981 4.055 16.274 37 HB3 SER 5 HB1 SER 5 12.775 4.928 17.216 38 H LYS 6 HN LYS 6 14.037 8.597 15.510 39 HA LYS 6 HA LYS 6 11.371 9.303 16.401 40 HB2 LYS 6 HB2 LYS 6 13.617 11.144 15.579 41 HB3 LYS 6 HB1 LYS 6 12.212 11.545 16.557 42 HG2 LYS 6 HG2 LYS 6 13.053 9.961 18.290 43 HG3 LYS 6 HG1 LYS 6 14.518 9.768 17.326 44 HD2 LYS 6 HD2 LYS 6 13.488 12.319 18.565 45 HD3 LYS 6 HD1 LYS 6 14.910 11.402 19.061 46 HE2 LYS 6 HE2 LYS 6 15.986 11.870 16.938 47 HE3 LYS 6 HE1 LYS 6 14.546 12.716 16.370 48 HZ1 LYS 6 HZ1 LYS 6 14.894 14.217 18.366 49 HZ2 LYS 6 HZ2 LYS 6 15.979 14.386 17.079 50 HZ3 LYS 6 HZ3 LYS 6 16.451 13.545 18.477 51 H TYR 7 HN TYR 7 11.835 8.071 13.760 52 HA TYR 7 HA TYR 7 10.956 8.137 11.683 53 HD1 TYR 7 HD2 TYR 7 9.099 6.890 12.421 54 HD2 TYR 7 HD1 TYR 7 7.929 10.569 14.209 55 HE1 TYR 7 HE2 TYR 7 7.706 5.661 14.028 56 HE2 TYR 7 HE1 TYR 7 6.534 9.350 15.820 57 HH TYR 7 HH TYR 7 5.357 7.126 15.913 58 HB2 TYR 7 HB2 TYR 7 9.447 10.621 12.504 59 HB3 TYR 7 HB1 TYR 7 9.025 9.474 11.237 60 H SER 8 HN SER 8 13.018 8.626 10.811 61 HA SER 8 HA SER 8 13.644 11.360 10.185 62 HG SER 8 HG SER 8 14.857 9.830 11.697 63 HB2 SER 8 HB2 SER 8 15.003 8.821 9.264 64 HB3 SER 8 HB1 SER 8 15.659 10.459 9.188 65 H ASP 9 HN ASP 9 12.324 12.252 8.748 66 HA ASP 9 HA ASP 9 11.054 10.933 6.610 67 HB2 ASP 9 HB2 ASP 9 10.465 13.109 5.805 68 HB3 ASP 9 HB1 ASP 9 10.448 13.202 7.563 69 H ALA 10 HN ALA 10 14.256 11.830 7.141 70 HA ALA 10 HA ALA 10 15.040 12.110 4.371 71 HB1 ALA 10 HB1 ALA 10 16.727 11.646 6.836 72 HB2 ALA 10 HB2 ALA 10 16.315 13.219 6.153 73 HB3 ALA 10 HB3 ALA 10 17.327 12.100 5.241 74 H GLN 11 HN GLN 11 15.140 9.623 6.885 75 HA GLN 11 HA GLN 11 16.309 7.634 5.197 76 HB2 GLN 11 HB2 GLN 11 16.572 7.273 7.521 77 HB3 GLN 11 HB1 GLN 11 14.859 7.511 7.836 78 HG2 GLN 11 HG2 GLN 11 14.296 5.419 6.899 79 HG3 GLN 11 HG1 GLN 11 15.905 5.215 6.206 80 HE21 GLN 11 HE21 GLN 11 17.341 6.080 8.520 81 HE22 GLN 11 HE22 GLN 11 17.181 4.834 9.713 82 H LEU 12 HN LEU 12 13.025 8.545 6.096 83 HA LEU 12 HA LEU 12 11.590 6.493 4.911 84 HG LEU 12 HG LEU 12 9.499 8.164 3.375 85 HB2 LEU 12 HB2 LEU 12 10.499 8.224 6.223 86 HB3 LEU 12 HB1 LEU 12 10.913 9.434 5.021 87 HD11 LEU 12 HD11 LEU 12 7.880 6.575 4.245 88 HD12 LEU 12 HD12 LEU 12 8.618 6.690 5.845 89 HD13 LEU 12 HD13 LEU 12 9.533 6.013 4.497 90 HD21 LEU 12 HD21 LEU 12 7.362 8.970 4.255 91 HD22 LEU 12 HD22 LEU 12 8.648 10.166 4.455 92 HD23 LEU 12 HD23 LEU 12 8.111 9.210 5.836 93 H SER 13 HN SER 13 12.361 9.633 3.403 94 HA SER 13 HA SER 13 11.390 9.003 0.879 95 HG SER 13 HG SER 13 13.232 11.438 2.866 96 HB2 SER 13 HB2 SER 13 13.008 10.868 0.133 97 HB3 SER 13 HB1 SER 13 11.761 11.279 1.312 98 H ALA 14 HN ALA 14 14.596 8.463 2.271 99 HA ALA 14 HA ALA 14 15.907 7.626 -0.064 100 HB1 ALA 14 HB1 ALA 14 17.497 6.524 1.412 101 HB2 ALA 14 HB2 ALA 14 16.372 6.683 2.762 102 HB3 ALA 14 HB3 ALA 14 17.078 8.122 2.027 103 H ILE 15 HN ILE 15 13.918 5.860 2.264 104 HA ILE 15 HA ILE 15 14.293 3.288 1.131 105 HB ILE 15 HB ILE 15 12.019 4.355 2.815 106 HG12 ILE 15 HG12 ILE 15 14.414 2.674 3.580 107 HG13 ILE 15 HG11 ILE 15 14.248 4.398 3.894 108 HG21 ILE 15 HG21 ILE 15 12.710 1.497 2.147 109 HG22 ILE 15 HG22 ILE 15 11.315 2.394 1.549 110 HG23 ILE 15 HG23 ILE 15 11.453 2.025 3.267 111 HD11 ILE 15 HD11 ILE 15 13.764 3.083 5.875 112 HD12 ILE 15 HD12 ILE 15 12.486 2.229 5.009 113 HD13 ILE 15 HD13 ILE 15 12.332 3.957 5.330 114 H VAL 16 HN VAL 16 11.712 5.722 0.776 115 HA VAL 16 HA VAL 16 10.085 4.141 -0.904 116 HB VAL 16 HB VAL 16 10.006 7.114 -1.189 117 HG11 VAL 16 HG11 VAL 16 7.841 5.056 -0.778 118 HG12 VAL 16 HG12 VAL 16 8.401 5.636 -2.352 119 HG13 VAL 16 HG13 VAL 16 7.618 6.747 -1.227 120 HG21 VAL 16 HG21 VAL 16 9.083 5.663 1.288 121 HG22 VAL 16 HG22 VAL 16 8.767 7.354 0.901 122 HG23 VAL 16 HG23 VAL 16 10.418 6.811 1.196 123 H ASN 17 HN ASN 17 12.596 6.547 -1.616 124 HA ASN 17 HA ASN 17 12.248 6.602 -4.410 125 HB2 ASN 17 HB2 ASN 17 14.464 7.354 -2.565 126 HB3 ASN 17 HB1 ASN 17 14.842 7.184 -4.275 127 HD21 ASN 17 HD21 ASN 17 13.125 9.010 -1.882 128 HD22 ASN 17 HD22 ASN 17 12.703 10.342 -2.906 129 H ASP 18 HN ASP 18 14.233 4.509 -2.348 130 HA ASP 18 HA ASP 18 15.556 3.190 -4.466 131 HB2 ASP 18 HB2 ASP 18 16.325 3.184 -2.082 132 HB3 ASP 18 HB1 ASP 18 14.969 2.134 -1.689 133 H MET 19 HN MET 19 12.776 2.336 -2.437 134 HA MET 19 HA MET 19 12.045 -0.059 -3.590 135 HB2 MET 19 HB2 MET 19 10.988 0.787 -1.584 136 HB3 MET 19 HB1 MET 19 10.295 2.133 -2.474 137 HG2 MET 19 HG2 MET 19 8.878 0.619 -3.723 138 HG3 MET 19 HG1 MET 19 9.616 -0.767 -2.920 139 HE1 MET 19 HE1 MET 19 7.609 2.569 -2.305 140 HE2 MET 19 HE2 MET 19 8.887 2.619 -1.091 141 HE3 MET 19 HE3 MET 19 7.207 2.411 -0.596 142 H ILE 20 HN ILE 20 11.080 3.221 -4.624 143 HA ILE 20 HA ILE 20 9.480 2.433 -6.793 144 HB ILE 20 HB ILE 20 11.128 4.942 -6.440 145 HG12 ILE 20 HG12 ILE 20 8.169 4.423 -6.061 146 HG13 ILE 20 HG11 ILE 20 9.349 4.581 -4.765 147 HG21 ILE 20 HG21 ILE 20 8.974 4.365 -8.475 148 HG22 ILE 20 HG22 ILE 20 10.695 4.577 -8.805 149 HG23 ILE 20 HG23 ILE 20 9.740 5.931 -8.201 150 HD11 ILE 20 HD11 ILE 20 9.781 6.885 -5.441 151 HD12 ILE 20 HD12 ILE 20 8.082 6.625 -5.047 152 HD13 ILE 20 HD13 ILE 20 8.591 6.725 -6.732 153 H ALA 21 HN ALA 21 12.938 3.293 -6.694 154 HA ALA 21 HA ALA 21 13.433 2.954 -9.442 155 HB1 ALA 21 HB1 ALA 21 14.944 4.169 -7.954 156 HB2 ALA 21 HB2 ALA 21 15.792 2.902 -8.840 157 HB3 ALA 21 HB3 ALA 21 15.364 2.659 -7.146 158 H VAL 22 HN VAL 22 13.672 0.702 -6.729 159 HA VAL 22 HA VAL 22 14.825 -1.462 -8.071 160 HB VAL 22 HB VAL 22 12.830 -1.565 -5.798 161 HG11 VAL 22 HG11 VAL 22 13.842 -3.746 -5.298 162 HG12 VAL 22 HG12 VAL 22 14.824 -3.614 -6.757 163 HG13 VAL 22 HG13 VAL 22 13.067 -3.720 -6.881 164 HG21 VAL 22 HG21 VAL 22 15.837 -1.371 -5.786 165 HG22 VAL 22 HG22 VAL 22 14.869 -1.787 -4.374 166 HG23 VAL 22 HG23 VAL 22 14.686 -0.200 -5.130 167 H LEU 23 HN LEU 23 11.409 -0.611 -7.619 168 HA LEU 23 HA LEU 23 10.367 -2.854 -8.975 169 HG LEU 23 HG LEU 23 7.494 -1.561 -7.111 170 HB2 LEU 23 HB2 LEU 23 9.303 -0.245 -8.062 171 HB3 LEU 23 HB1 LEU 23 8.403 -1.053 -9.331 172 HD11 LEU 23 HD11 LEU 23 7.260 -3.214 -8.876 173 HD12 LEU 23 HD12 LEU 23 7.462 -3.998 -7.308 174 HD13 LEU 23 HD13 LEU 23 8.816 -3.922 -8.437 175 HD21 LEU 23 HD21 LEU 23 9.541 -1.374 -5.799 176 HD22 LEU 23 HD22 LEU 23 10.181 -2.823 -6.575 177 HD23 LEU 23 HD23 LEU 23 8.762 -2.934 -5.533 178 H GLU 24 HN GLU 24 11.348 0.340 -10.099 179 HA GLU 24 HA GLU 24 10.407 0.092 -12.750 180 HB2 GLU 24 HB2 GLU 24 12.759 1.672 -11.682 181 HB3 GLU 24 HB1 GLU 24 12.066 1.860 -13.286 182 HG2 GLU 24 HG2 GLU 24 10.646 2.381 -10.682 183 HG3 GLU 24 HG1 GLU 24 11.302 3.602 -11.773 184 H LYS 25 HN LYS 25 13.473 -0.764 -11.214 185 HA LYS 25 HA LYS 25 14.756 -1.673 -13.577 186 HB2 LYS 25 HB2 LYS 25 15.278 -2.311 -10.666 187 HB3 LYS 25 HB1 LYS 25 16.338 -2.784 -11.989 188 HG2 LYS 25 HG2 LYS 25 16.810 -0.492 -12.508 189 HG3 LYS 25 HG1 LYS 25 15.607 0.063 -11.344 190 HD2 LYS 25 HD2 LYS 25 17.706 0.333 -10.294 191 HD3 LYS 25 HD1 LYS 25 16.976 -1.093 -9.563 192 HE2 LYS 25 HE2 LYS 25 18.917 -1.275 -11.852 193 HE3 LYS 25 HE1 LYS 25 19.450 -1.213 -10.176 194 HZ1 LYS 25 HZ1 LYS 25 19.338 -3.474 -10.818 195 HZ2 LYS 25 HZ2 LYS 25 17.778 -3.303 -11.456 196 HZ3 LYS 25 HZ3 LYS 25 18.023 -3.201 -9.779 197 H HIS 26 HN HIS 26 12.658 -3.186 -11.218 198 HA HIS 26 HA HIS 26 13.133 -5.874 -12.131 199 HD1 HIS 26 HD1 HIS 26 10.728 -7.509 -12.295 200 HD2 HIS 26 HD2 HIS 26 11.757 -7.339 -8.268 201 HE1 HIS 26 HE1 HIS 26 10.298 -9.815 -11.384 202 HE2 HIS 26 HE2 HIS 26 11.123 -9.739 -9.000 203 HB2 HIS 26 HB2 HIS 26 12.356 -5.163 -9.799 204 HB3 HIS 26 HB1 HIS 26 10.771 -4.902 -10.513 205 H LYS 27 HN LYS 27 11.009 -3.264 -12.931 206 HA LYS 27 HA LYS 27 9.303 -2.979 -14.385 207 HB2 LYS 27 HB2 LYS 27 11.069 -3.664 -15.987 208 HB3 LYS 27 HB1 LYS 27 10.542 -5.334 -15.823 209 HG2 LYS 27 HG2 LYS 27 8.371 -4.763 -16.759 210 HG3 LYS 27 HG1 LYS 27 8.853 -3.070 -16.874 211 HD2 LYS 27 HD2 LYS 27 10.200 -5.364 -18.298 212 HD3 LYS 27 HD1 LYS 27 9.035 -4.256 -19.028 213 HE2 LYS 27 HE2 LYS 27 10.530 -2.386 -18.602 214 HE3 LYS 27 HE1 LYS 27 11.684 -3.467 -17.820 215 HZ1 LYS 27 HZ1 LYS 27 12.369 -3.030 -20.063 216 HZ2 LYS 27 HZ2 LYS 27 10.864 -3.523 -20.674 217 HZ3 LYS 27 HZ3 LYS 27 11.895 -4.653 -19.945 218 H ALA 28 HN ALA 28 7.888 -3.636 -12.663 219 HA ALA 28 HA ALA 28 6.627 -6.256 -13.120 220 HB1 ALA 28 HB1 ALA 28 5.796 -6.116 -10.832 221 HB2 ALA 28 HB2 ALA 28 6.556 -4.535 -10.644 222 HB3 ALA 28 HB3 ALA 28 7.553 -5.972 -10.873 223 HA PRO 29 HA PRO 29 3.156 -3.996 -14.706 224 HB2 PRO 29 HB2 PRO 29 1.311 -5.990 -14.615 225 HB3 PRO 29 HB1 PRO 29 2.581 -5.909 -15.841 226 HG2 PRO 29 HG2 PRO 29 2.464 -7.537 -13.334 227 HG3 PRO 29 HG1 PRO 29 3.023 -8.006 -14.951 228 HD2 PRO 29 HD2 PRO 29 4.723 -7.344 -12.947 229 HD3 PRO 29 HD1 PRO 29 5.091 -7.038 -14.654 230 H VAL 30 HN VAL 30 1.207 -3.082 -13.997 231 HA VAL 30 HA VAL 30 1.093 -2.489 -11.265 232 HB VAL 30 HB VAL 30 -1.044 -1.364 -11.738 233 HG11 VAL 30 HG11 VAL 30 -0.170 0.231 -13.391 234 HG12 VAL 30 HG12 VAL 30 1.099 -0.919 -13.814 235 HG13 VAL 30 HG13 VAL 30 1.049 -0.217 -12.198 236 HG21 VAL 30 HG21 VAL 30 -1.940 -1.358 -14.029 237 HG22 VAL 30 HG22 VAL 30 -2.002 -2.966 -13.305 238 HG23 VAL 30 HG23 VAL 30 -0.752 -2.579 -14.487 239 H ASP 31 HN ASP 31 -0.225 -5.142 -12.985 240 HA ASP 31 HA ASP 31 -2.381 -5.798 -11.291 241 HB2 ASP 31 HB2 ASP 31 -0.581 -7.614 -12.911 242 HB3 ASP 31 HB1 ASP 31 -2.086 -8.113 -12.149 243 H LEU 32 HN LEU 32 0.819 -7.340 -11.410 244 HA LEU 32 HA LEU 32 0.529 -8.582 -8.888 245 HG LEU 32 HG LEU 32 1.455 -9.507 -11.709 246 HB2 LEU 32 HB2 LEU 32 3.020 -8.026 -10.500 247 HB3 LEU 32 HB1 LEU 32 2.940 -9.090 -9.109 248 HD11 LEU 32 HD11 LEU 32 3.013 -11.350 -12.061 249 HD12 LEU 32 HD12 LEU 32 3.869 -10.917 -10.581 250 HD13 LEU 32 HD13 LEU 32 3.863 -9.808 -11.953 251 HD21 LEU 32 HD21 LEU 32 0.256 -10.420 -9.785 252 HD22 LEU 32 HD22 LEU 32 1.709 -11.282 -9.280 253 HD23 LEU 32 HD23 LEU 32 0.913 -11.707 -10.795 254 H SER 33 HN SER 33 1.994 -5.568 -9.937 255 HA SER 33 HA SER 33 3.460 -4.936 -7.653 256 HG SER 33 HG SER 33 4.088 -1.832 -8.981 257 HB2 SER 33 HB2 SER 33 3.578 -3.760 -9.856 258 HB3 SER 33 HB1 SER 33 2.033 -3.001 -9.490 259 H LEU 34 HN LEU 34 0.119 -3.984 -8.497 260 HA LEU 34 HA LEU 34 -0.252 -2.641 -6.009 261 HG LEU 34 HG LEU 34 -2.558 -0.898 -8.272 262 HB2 LEU 34 HB2 LEU 34 -2.020 -3.302 -8.318 263 HB3 LEU 34 HB1 LEU 34 -2.751 -2.807 -6.805 264 HD11 LEU 34 HD11 LEU 34 -1.245 0.608 -6.847 265 HD12 LEU 34 HD12 LEU 34 -0.551 -0.793 -6.031 266 HD13 LEU 34 HD13 LEU 34 -2.281 -0.468 -5.909 267 HD21 LEU 34 HD21 LEU 34 -0.702 -1.681 -9.663 268 HD22 LEU 34 HD22 LEU 34 0.410 -1.436 -8.317 269 HD23 LEU 34 HD23 LEU 34 -0.410 -0.055 -9.046 270 H ILE 35 HN ILE 35 -0.846 -5.912 -7.129 271 HA ILE 35 HA ILE 35 -2.525 -6.613 -4.926 272 HB ILE 35 HB ILE 35 -0.877 -8.399 -6.726 273 HG12 ILE 35 HG12 ILE 35 -3.848 -7.805 -6.672 274 HG13 ILE 35 HG11 ILE 35 -2.705 -7.153 -7.842 275 HG21 ILE 35 HG21 ILE 35 -2.234 -10.245 -5.843 276 HG22 ILE 35 HG22 ILE 35 -3.003 -9.135 -4.709 277 HG23 ILE 35 HG23 ILE 35 -1.279 -9.482 -4.570 278 HD11 ILE 35 HD11 ILE 35 -2.256 -9.409 -8.660 279 HD12 ILE 35 HD12 ILE 35 -3.968 -9.001 -8.777 280 HD13 ILE 35 HD13 ILE 35 -3.400 -10.061 -7.487 281 H ALA 36 HN ALA 36 0.960 -6.819 -5.542 282 HA ALA 36 HA ALA 36 1.703 -8.101 -3.170 283 HB1 ALA 36 HB1 ALA 36 3.247 -7.750 -5.039 284 HB2 ALA 36 HB2 ALA 36 3.911 -7.119 -3.531 285 HB3 ALA 36 HB3 ALA 36 3.234 -6.014 -4.726 286 H LEU 37 HN LEU 37 1.337 -4.652 -3.935 287 HA LEU 37 HA LEU 37 1.903 -3.724 -1.325 288 HG LEU 37 HG LEU 37 2.716 -2.645 -4.100 289 HB2 LEU 37 HB2 LEU 37 0.335 -2.478 -3.578 290 HB3 LEU 37 HB1 LEU 37 0.706 -1.647 -2.081 291 HD11 LEU 37 HD11 LEU 37 1.886 0.144 -3.318 292 HD12 LEU 37 HD12 LEU 37 1.491 -0.671 -4.831 293 HD13 LEU 37 HD13 LEU 37 3.167 -0.273 -4.455 294 HD21 LEU 37 HD21 LEU 37 3.594 -2.832 -1.836 295 HD22 LEU 37 HD22 LEU 37 3.130 -1.165 -1.503 296 HD23 LEU 37 HD23 LEU 37 4.378 -1.510 -2.700 297 H GLY 38 HN GLY 38 -1.076 -4.726 -2.922 298 HA2 GLY 38 HA2 GLY 38 -2.878 -3.912 -0.910 299 HA3 GLY 38 HA1 GLY 38 -3.164 -5.184 -2.090 300 H ASN 39 HN ASN 39 -1.473 -7.131 -1.530 301 HA ASN 39 HA ASN 39 -2.468 -8.354 0.785 302 HB2 ASN 39 HB2 ASN 39 -1.624 -9.730 -0.968 303 HB3 ASN 39 HB1 ASN 39 -0.053 -8.936 -0.931 304 HD21 ASN 39 HD21 ASN 39 1.480 -9.663 0.428 305 HD22 ASN 39 HD22 ASN 39 1.281 -11.007 1.503 306 H MET 40 HN MET 40 0.510 -6.548 0.210 307 HA MET 40 HA MET 40 1.680 -7.013 2.741 308 HB2 MET 40 HB2 MET 40 2.887 -6.131 0.738 309 HB3 MET 40 HB1 MET 40 2.055 -4.600 0.958 310 HG2 MET 40 HG2 MET 40 4.143 -4.258 1.913 311 HG3 MET 40 HG1 MET 40 3.088 -4.567 3.287 312 HE1 MET 40 HE1 MET 40 3.314 -6.597 4.915 313 HE2 MET 40 HE2 MET 40 4.156 -8.090 4.496 314 HE3 MET 40 HE3 MET 40 2.728 -7.596 3.586 315 H ALA 41 HN ALA 41 -0.267 -4.292 1.505 316 HA ALA 41 HA ALA 41 -0.275 -2.747 3.830 317 HB1 ALA 41 HB1 ALA 41 -1.032 -1.933 1.633 318 HB2 ALA 41 HB2 ALA 41 -2.211 -1.615 2.904 319 HB3 ALA 41 HB3 ALA 41 -2.473 -2.940 1.769 320 H SER 42 HN SER 42 -2.562 -5.245 2.756 321 HA SER 42 HA SER 42 -4.357 -5.042 4.892 322 HG SER 42 HG SER 42 -4.268 -5.807 1.959 323 HB2 SER 42 HB2 SER 42 -3.623 -7.526 3.322 324 HB3 SER 42 HB1 SER 42 -5.104 -7.278 4.249 325 H ASN 43 HN ASN 43 -1.523 -7.140 4.478 326 HA ASN 43 HA ASN 43 -1.742 -8.464 6.953 327 HB2 ASN 43 HB2 ASN 43 -0.360 -9.257 5.036 328 HB3 ASN 43 HB1 ASN 43 0.776 -7.952 5.356 329 HD21 ASN 43 HD21 ASN 43 2.451 -9.387 5.754 330 HD22 ASN 43 HD22 ASN 43 2.540 -10.326 7.201 331 H LEU 44 HN LEU 44 -0.062 -5.508 5.987 332 HA LEU 44 HA LEU 44 1.192 -5.091 8.500 333 HG LEU 44 HG LEU 44 2.212 -4.747 5.567 334 HB2 LEU 44 HB2 LEU 44 0.524 -3.145 6.294 335 HB3 LEU 44 HB1 LEU 44 1.483 -2.741 7.705 336 HD11 LEU 44 HD11 LEU 44 3.413 -2.080 6.298 337 HD12 LEU 44 HD12 LEU 44 2.434 -2.419 4.870 338 HD13 LEU 44 HD13 LEU 44 4.011 -3.184 5.060 339 HD21 LEU 44 HD21 LEU 44 3.725 -3.917 8.043 340 HD22 LEU 44 HD22 LEU 44 4.338 -4.959 6.760 341 HD23 LEU 44 HD23 LEU 44 2.985 -5.492 7.758 342 H LEU 45 HN LEU 45 -1.894 -4.017 7.131 343 HA LEU 45 HA LEU 45 -2.565 -2.328 9.306 344 HG LEU 45 HG LEU 45 -2.864 -1.914 6.305 345 HB2 LEU 45 HB2 LEU 45 -4.287 -3.691 7.244 346 HB3 LEU 45 HB1 LEU 45 -4.912 -2.564 8.432 347 HD11 LEU 45 HD11 LEU 45 -5.102 -2.267 5.393 348 HD12 LEU 45 HD12 LEU 45 -4.638 -0.568 5.312 349 HD13 LEU 45 HD13 LEU 45 -5.762 -1.118 6.556 350 HD21 LEU 45 HD21 LEU 45 -2.523 -0.609 8.340 351 HD22 LEU 45 HD22 LEU 45 -4.223 -0.137 8.331 352 HD23 LEU 45 HD23 LEU 45 -3.152 0.399 7.037 353 H THR 46 HN THR 46 -2.578 -5.749 8.955 354 HA THR 46 HA THR 46 -4.212 -5.987 11.390 355 HB THR 46 HB THR 46 -4.024 -8.502 10.842 356 HG1 THR 46 HG1 THR 46 -3.491 -7.458 8.244 357 HG21 THR 46 HG21 THR 46 -5.920 -8.376 9.316 358 HG22 THR 46 HG22 THR 46 -5.564 -6.679 8.993 359 HG23 THR 46 HG23 THR 46 -6.079 -7.182 10.603 360 H THR 47 HN THR 47 -1.136 -5.346 10.917 361 HA THR 47 HA THR 47 -0.248 -7.087 13.114 362 HB THR 47 HB THR 47 1.428 -6.584 10.645 363 HG1 THR 47 HG1 THR 47 -0.046 -8.068 9.993 364 HG21 THR 47 HG21 THR 47 2.904 -8.302 11.615 365 HG22 THR 47 HG22 THR 47 1.880 -8.357 13.050 366 HG23 THR 47 HG23 THR 47 2.768 -6.885 12.655 367 H SER 48 HN SER 48 0.444 -4.223 11.142 368 HA SER 48 HA SER 48 2.501 -3.305 12.942 369 HG SER 48 HG SER 48 3.737 -2.738 10.052 370 HB2 SER 48 HB2 SER 48 1.269 -2.033 10.490 371 HB3 SER 48 HB1 SER 48 2.695 -1.440 11.337 372 H VAL 49 HN VAL 49 -0.861 -2.977 12.785 373 HA VAL 49 HA VAL 49 -0.913 -0.331 13.998 374 HB VAL 49 HB VAL 49 -3.325 -0.483 13.892 375 HG11 VAL 49 HG11 VAL 49 -2.037 -1.489 11.356 376 HG12 VAL 49 HG12 VAL 49 -2.210 0.194 11.851 377 HG13 VAL 49 HG13 VAL 49 -3.640 -0.762 11.462 378 HG21 VAL 49 HG21 VAL 49 -2.920 -3.326 12.964 379 HG22 VAL 49 HG22 VAL 49 -4.462 -2.472 13.014 380 HG23 VAL 49 HG23 VAL 49 -3.597 -2.821 14.512 381 HA PRO 50 HA PRO 50 -1.382 -1.545 18.274 382 HB2 PRO 50 HB2 PRO 50 -3.835 -0.305 18.826 383 HB3 PRO 50 HB1 PRO 50 -2.240 0.423 19.020 384 HG2 PRO 50 HG2 PRO 50 -4.200 0.705 16.799 385 HG3 PRO 50 HG1 PRO 50 -3.067 1.897 17.460 386 HD2 PRO 50 HD2 PRO 50 -2.619 0.666 15.114 387 HD3 PRO 50 HD1 PRO 50 -1.288 1.070 16.220 388 H GLN 51 HN GLN 51 -4.772 -1.285 17.282 389 HA GLN 51 HA GLN 51 -5.251 -3.952 16.648 390 HB2 GLN 51 HB2 GLN 51 -4.682 -4.391 19.014 391 HB3 GLN 51 HB1 GLN 51 -5.961 -3.293 19.513 392 HG2 GLN 51 HG2 GLN 51 -7.635 -4.742 18.560 393 HG3 GLN 51 HG1 GLN 51 -6.385 -5.814 17.928 394 HE21 GLN 51 HE21 GLN 51 -5.284 -7.161 19.317 395 HE22 GLN 51 HE22 GLN 51 -5.832 -7.483 20.925 396 H THR 52 HN THR 52 -7.146 -1.981 18.908 397 HA THR 52 HA THR 52 -9.518 -2.380 17.405 398 HB THR 52 HB THR 52 -9.115 -0.312 19.569 399 HG1 THR 52 HG1 THR 52 -8.497 -2.046 20.675 400 HG21 THR 52 HG21 THR 52 -11.466 -0.843 20.081 401 HG22 THR 52 HG22 THR 52 -11.502 -1.952 18.710 402 HG23 THR 52 HG23 THR 52 -11.274 -0.224 18.440 403 H GLN 53 HN GLN 53 -7.212 0.243 17.658 404 HA GLN 53 HA GLN 53 -8.818 2.245 16.450 405 HB2 GLN 53 HB2 GLN 53 -5.804 2.124 16.639 406 HB3 GLN 53 HB1 GLN 53 -6.764 3.554 16.299 407 HG2 GLN 53 HG2 GLN 53 -6.357 3.885 18.501 408 HG3 GLN 53 HG1 GLN 53 -7.853 2.965 18.621 409 HE21 GLN 53 HE21 GLN 53 -5.608 3.305 20.492 410 HE22 GLN 53 HE22 GLN 53 -5.068 1.701 20.867 411 H CYS 54 HN CYS 54 -7.451 -0.472 15.110 412 HA CYS 54 HA CYS 54 -6.279 0.394 12.744 413 HG CYS 54 HG CYS 54 -5.571 -2.969 11.265 414 HB2 CYS 54 HB2 CYS 54 -6.187 -1.930 13.532 415 HB3 CYS 54 HB1 CYS 54 -7.904 -2.115 13.191 416 H GLU 55 HN GLU 55 -9.691 -0.096 13.515 417 HA GLU 55 HA GLU 55 -10.710 0.037 10.905 418 HB2 GLU 55 HB2 GLU 55 -11.948 -0.705 12.961 419 HB3 GLU 55 HB1 GLU 55 -12.081 0.980 13.432 420 HG2 GLU 55 HG2 GLU 55 -13.103 0.130 10.764 421 HG3 GLU 55 HG1 GLU 55 -14.042 -0.236 12.209 422 H ALA 56 HN ALA 56 -10.081 2.591 13.274 423 HA ALA 56 HA ALA 56 -11.045 4.707 11.635 424 HB1 ALA 56 HB1 ALA 56 -9.138 4.825 13.967 425 HB2 ALA 56 HB2 ALA 56 -10.896 4.897 14.070 426 HB3 ALA 56 HB3 ALA 56 -10.007 6.187 13.261 427 H LEU 57 HN LEU 57 -7.818 3.399 12.290 428 HA LEU 57 HA LEU 57 -6.407 5.344 10.799 429 HG LEU 57 HG LEU 57 -4.300 5.331 12.107 430 HB2 LEU 57 HB2 LEU 57 -5.760 2.687 11.965 431 HB3 LEU 57 HB1 LEU 57 -4.679 3.317 10.738 432 HD11 LEU 57 HD11 LEU 57 -5.068 5.377 14.437 433 HD12 LEU 57 HD12 LEU 57 -6.035 3.933 14.133 434 HD13 LEU 57 HD13 LEU 57 -6.410 5.437 13.292 435 HD21 LEU 57 HD21 LEU 57 -2.798 3.424 12.313 436 HD22 LEU 57 HD22 LEU 57 -3.826 2.740 13.572 437 HD23 LEU 57 HD23 LEU 57 -2.978 4.259 13.856 438 H ALA 58 HN ALA 58 -7.651 2.134 9.936 439 HA ALA 58 HA ALA 58 -6.494 2.019 7.366 440 HB1 ALA 58 HB1 ALA 58 -9.006 0.694 8.381 441 HB2 ALA 58 HB2 ALA 58 -7.371 0.039 8.478 442 HB3 ALA 58 HB3 ALA 58 -8.140 0.263 6.906 443 H GLN 59 HN GLN 59 -9.635 3.197 8.509 444 HA GLN 59 HA GLN 59 -10.601 3.846 5.915 445 HB2 GLN 59 HB2 GLN 59 -11.991 3.473 8.000 446 HB3 GLN 59 HB1 GLN 59 -11.502 5.081 8.517 447 HG2 GLN 59 HG2 GLN 59 -13.716 5.064 7.467 448 HG3 GLN 59 HG1 GLN 59 -12.561 6.069 6.588 449 HE21 GLN 59 HE21 GLN 59 -14.319 3.050 6.580 450 HE22 GLN 59 HE22 GLN 59 -14.140 2.724 4.881 451 H ALA 60 HN ALA 60 -8.718 5.548 8.326 452 HA ALA 60 HA ALA 60 -8.813 8.112 7.153 453 HB1 ALA 60 HB1 ALA 60 -7.985 7.761 9.418 454 HB2 ALA 60 HB2 ALA 60 -6.762 8.560 8.430 455 HB3 ALA 60 HB3 ALA 60 -6.620 6.839 8.790 456 H PHE 61 HN PHE 61 -6.512 5.422 6.798 457 HA PHE 61 HA PHE 61 -4.890 6.618 4.830 458 HD1 PHE 61 HD1 PHE 61 -2.393 5.697 4.746 459 HD2 PHE 61 HD2 PHE 61 -4.916 2.615 3.248 460 HE1 PHE 61 HE1 PHE 61 -0.730 5.182 3.003 461 HE2 PHE 61 HE2 PHE 61 -3.259 2.095 1.510 462 HZ PHE 61 HZ PHE 61 -1.165 3.378 1.383 463 HB2 PHE 61 HB2 PHE 61 -4.249 4.598 6.123 464 HB3 PHE 61 HB1 PHE 61 -5.464 3.673 5.250 465 H SER 62 HN SER 62 -7.775 4.609 4.635 466 HA SER 62 HA SER 62 -8.030 4.291 1.900 467 HG SER 62 HG SER 62 -11.633 4.233 2.599 468 HB2 SER 62 HB2 SER 62 -9.511 3.171 3.452 469 HB3 SER 62 HB1 SER 62 -10.141 4.711 4.032 470 H ASN 63 HN ASN 63 -9.615 6.835 3.838 471 HA ASN 63 HA ASN 63 -10.467 8.363 1.651 472 HB2 ASN 63 HB2 ASN 63 -10.093 8.999 4.561 473 HB3 ASN 63 HB1 ASN 63 -10.595 10.242 3.419 474 HD21 ASN 63 HD21 ASN 63 -11.484 7.257 4.987 475 HD22 ASN 63 HD22 ASN 63 -13.167 7.327 4.593 476 H SER 64 HN SER 64 -7.405 8.311 3.323 477 HA SER 64 HA SER 64 -6.372 10.747 2.369 478 HG SER 64 HG SER 64 -4.007 10.857 3.430 479 HB2 SER 64 HB2 SER 64 -5.339 9.280 4.148 480 HB3 SER 64 HB1 SER 64 -4.797 8.207 2.859 481 H LEU 65 HN LEU 65 -6.308 7.457 1.027 482 HA LEU 65 HA LEU 65 -4.953 8.140 -1.367 483 HG LEU 65 HG LEU 65 -4.796 5.715 0.584 484 HB2 LEU 65 HB2 LEU 65 -6.840 5.862 -0.762 485 HB3 LEU 65 HB1 LEU 65 -5.879 5.990 -2.222 486 HD11 LEU 65 HD11 LEU 65 -4.053 3.512 -0.192 487 HD12 LEU 65 HD12 LEU 65 -4.882 3.780 -1.726 488 HD13 LEU 65 HD13 LEU 65 -5.809 3.666 -0.230 489 HD21 LEU 65 HD21 LEU 65 -3.339 7.069 -0.847 490 HD22 LEU 65 HD22 LEU 65 -3.358 5.796 -2.068 491 HD23 LEU 65 HD23 LEU 65 -2.617 5.498 -0.495 492 H ILE 66 HN ILE 66 -8.361 7.973 -0.458 493 HA ILE 66 HA ILE 66 -9.518 8.432 -2.960 494 HB ILE 66 HB ILE 66 -10.552 9.549 -0.347 495 HG12 ILE 66 HG12 ILE 66 -10.116 7.196 -0.009 496 HG13 ILE 66 HG11 ILE 66 -11.851 7.438 -0.167 497 HG21 ILE 66 HG21 ILE 66 -12.749 9.324 -1.410 498 HG22 ILE 66 HG22 ILE 66 -11.969 8.757 -2.886 499 HG23 ILE 66 HG23 ILE 66 -11.687 10.402 -2.318 500 HD11 ILE 66 HD11 ILE 66 -11.760 6.635 -2.460 501 HD12 ILE 66 HD12 ILE 66 -11.102 5.445 -1.334 502 HD13 ILE 66 HD13 ILE 66 -10.014 6.422 -2.321 503 H ASN 67 HN ASN 67 -8.547 10.741 -0.439 504 HA ASN 67 HA ASN 67 -9.235 13.074 -1.866 505 HB2 ASN 67 HB2 ASN 67 -8.828 12.969 0.600 506 HB3 ASN 67 HB1 ASN 67 -7.107 12.799 0.267 507 HD21 ASN 67 HD21 ASN 67 -6.512 14.678 1.261 508 HD22 ASN 67 HD22 ASN 67 -6.896 16.247 0.623 509 H ALA 68 HN ALA 68 -6.273 11.169 -1.711 510 HA ALA 68 HA ALA 68 -4.548 12.894 -3.070 511 HB1 ALA 68 HB1 ALA 68 -3.262 10.880 -3.647 512 HB2 ALA 68 HB2 ALA 68 -4.613 9.880 -3.112 513 HB3 ALA 68 HB3 ALA 68 -3.754 10.896 -1.954 514 H VAL 69 HN VAL 69 -6.686 10.358 -4.351 515 HA VAL 69 HA VAL 69 -6.090 10.788 -7.078 516 HB VAL 69 HB VAL 69 -8.636 9.698 -5.861 517 HG11 VAL 69 HG11 VAL 69 -8.972 8.618 -8.038 518 HG12 VAL 69 HG12 VAL 69 -7.553 9.455 -8.665 519 HG13 VAL 69 HG13 VAL 69 -8.973 10.376 -8.172 520 HG21 VAL 69 HG21 VAL 69 -7.648 7.500 -6.300 521 HG22 VAL 69 HG22 VAL 69 -6.671 8.440 -5.172 522 HG23 VAL 69 HG23 VAL 69 -6.167 8.282 -6.855 523 H LYS 70 HN LYS 70 -8.621 12.123 -4.973 524 HA LYS 70 HA LYS 70 -9.960 13.622 -6.946 525 HB2 LYS 70 HB2 LYS 70 -9.811 13.701 -3.976 526 HB3 LYS 70 HB1 LYS 70 -10.444 15.124 -4.789 527 HG2 LYS 70 HG2 LYS 70 -12.219 13.601 -4.085 528 HG3 LYS 70 HG1 LYS 70 -12.174 13.786 -5.839 529 HD2 LYS 70 HD2 LYS 70 -11.085 11.658 -6.089 530 HD3 LYS 70 HD1 LYS 70 -10.916 11.493 -4.341 531 HE2 LYS 70 HE2 LYS 70 -12.750 10.133 -5.106 532 HE3 LYS 70 HE1 LYS 70 -13.369 11.465 -4.134 533 HZ1 LYS 70 HZ1 LYS 70 -13.815 10.850 -6.913 534 HZ2 LYS 70 HZ2 LYS 70 -13.430 12.479 -6.640 535 HZ3 LYS 70 HZ3 LYS 70 -14.747 11.774 -5.839 536 H THR 71 HN THR 71 -7.211 14.412 -4.873 537 HA THR 71 HA THR 71 -7.013 17.113 -5.798 538 HB THR 71 HB THR 71 -4.911 15.451 -4.391 539 HG1 THR 71 HG1 THR 71 -6.403 15.512 -2.862 540 HG21 THR 71 HG21 THR 71 -4.080 17.638 -3.608 541 HG22 THR 71 HG22 THR 71 -5.291 18.442 -4.609 542 HG23 THR 71 HG23 THR 71 -4.007 17.498 -5.364 543 H ARG 72 HN ARG 72 -5.940 14.056 -6.970 544 HA ARG 72 HA ARG 72 -3.852 15.032 -8.665 545 HE ARG 72 HE ARG 72 -2.287 11.433 -11.863 546 HB2 ARG 72 HB2 ARG 72 -4.342 12.599 -7.849 547 HB3 ARG 72 HB1 ARG 72 -5.458 12.541 -9.202 548 HG2 ARG 72 HG2 ARG 72 -2.543 13.210 -9.512 549 HG3 ARG 72 HG1 ARG 72 -3.175 11.567 -9.595 550 HD2 ARG 72 HD2 ARG 72 -4.661 12.295 -11.447 551 HD3 ARG 72 HD1 ARG 72 -3.871 13.872 -11.404 552 HH11 ARG 72 HH11 ARG 72 -3.439 14.562 -12.946 553 HH12 ARG 72 HH12 ARG 72 -2.357 14.631 -14.303 554 HH21 ARG 72 HH21 ARG 72 -0.887 11.509 -13.683 555 HH22 ARG 72 HH22 ARG 72 -0.960 12.872 -14.761 556 H LEU 73 HN LEU 73 -7.301 14.456 -8.970 557 HA LEU 73 HA LEU 73 -7.387 15.205 -11.758 558 HG LEU 73 HG LEU 73 -8.403 12.709 -10.116 559 HB2 LEU 73 HB2 LEU 73 -9.634 14.827 -9.771 560 HB3 LEU 73 HB1 LEU 73 -9.818 14.986 -11.507 561 HD11 LEU 73 HD11 LEU 73 -10.343 11.380 -10.817 562 HD12 LEU 73 HD12 LEU 73 -11.121 12.848 -11.411 563 HD13 LEU 73 HD13 LEU 73 -10.790 12.660 -9.689 564 HD21 LEU 73 HD21 LEU 73 -8.421 11.652 -12.320 565 HD22 LEU 73 HD22 LEU 73 -7.506 13.158 -12.342 566 HD23 LEU 73 HD23 LEU 73 -9.134 13.105 -13.018 567 H GLU 74 HN GLU 74 -8.116 16.643 -8.652 568 HA GLU 74 HA GLU 74 -8.486 18.733 -7.927 569 HB2 GLU 74 HB2 GLU 74 -7.417 19.485 -10.640 570 HB3 GLU 74 HB1 GLU 74 -7.891 20.677 -9.434 571 HG2 GLU 74 HG2 GLU 74 -6.284 19.468 -7.866 572 HG3 GLU 74 HG1 GLU 74 -5.664 18.676 -9.312 573 H HIS 75 HN HIS 75 -10.278 19.821 -7.588 574 HA HIS 75 HA HIS 75 -12.558 19.257 -9.226 575 HD1 HIS 75 HD1 HIS 75 -14.621 22.287 -6.615 576 HD2 HIS 75 HD2 HIS 75 -14.965 18.553 -8.413 577 HE1 HIS 75 HE1 HIS 75 -17.079 21.948 -7.008 578 HE2 HIS 75 HE2 HIS 75 -17.276 19.587 -7.866 579 HB2 HIS 75 HB2 HIS 75 -12.545 19.489 -6.695 580 HB3 HIS 75 HB1 HIS 75 -12.419 21.227 -6.941 581 H HIS 76 HN HIS 76 -10.244 21.792 -9.041 582 HA HIS 76 HA HIS 76 -11.861 23.432 -10.889 583 HD1 HIS 76 HD1 HIS 76 -12.220 26.577 -9.366 584 HD2 HIS 76 HD2 HIS 76 -11.013 23.427 -6.931 585 HE1 HIS 76 HE1 HIS 76 -13.505 26.844 -7.221 586 HE2 HIS 76 HE2 HIS 76 -12.905 24.819 -5.850 587 HB2 HIS 76 HB2 HIS 76 -9.438 24.230 -9.249 588 HB3 HIS 76 HB1 HIS 76 -10.318 25.288 -10.344 589 H HIS 77 HN HIS 77 -11.396 22.697 -12.904 590 HA HIS 77 HA HIS 77 -8.567 22.162 -13.532 591 HD1 HIS 77 HD1 HIS 77 -12.855 21.204 -14.310 592 HD2 HIS 77 HD2 HIS 77 -10.270 21.355 -17.571 593 HE1 HIS 77 HE1 HIS 77 -14.319 21.532 -16.331 594 HE2 HIS 77 HE2 HIS 77 -12.721 21.788 -18.267 595 HB2 HIS 77 HB2 HIS 77 -9.220 20.594 -15.140 596 HB3 HIS 77 HB1 HIS 77 -10.385 20.344 -13.853 597 H HIS 78 HN HIS 78 -11.264 24.162 -14.229 598 HA HIS 78 HA HIS 78 -11.641 25.920 -15.596 599 HD1 HIS 78 HD1 HIS 78 -9.740 29.037 -14.517 600 HD2 HIS 78 HD2 HIS 78 -10.062 27.501 -18.369 601 HE1 HIS 78 HE1 HIS 78 -10.199 31.013 -16.002 602 HE2 HIS 78 HE2 HIS 78 -10.579 30.034 -18.293 603 HB2 HIS 78 HB2 HIS 78 -9.415 26.603 -14.555 604 HB3 HIS 78 HB1 HIS 78 -8.661 26.061 -16.049 605 H HIS 79 HN HIS 79 -8.747 24.915 -17.317 606 HA HIS 79 HA HIS 79 -9.703 23.363 -19.350 607 HD1 HIS 79 HD1 HIS 79 -8.970 26.338 -22.437 608 HD2 HIS 79 HD2 HIS 79 -11.444 23.049 -21.838 609 HE1 HIS 79 HE1 HIS 79 -9.176 25.229 -24.678 610 HE2 HIS 79 HE2 HIS 79 -10.528 23.151 -24.258 611 HB2 HIS 79 HB2 HIS 79 -11.310 25.195 -19.864 612 HB3 HIS 79 HB1 HIS 79 -9.954 26.288 -20.127 613 H HIS 80 HN HIS 80 -7.600 25.684 -18.076 614 HA HIS 80 HA HIS 80 -5.396 26.122 -18.285 615 HD1 HIS 80 HD1 HIS 80 -3.476 25.216 -21.671 616 HD2 HIS 80 HD2 HIS 80 -2.510 24.266 -17.739 617 HE1 HIS 80 HE1 HIS 80 -0.987 25.513 -21.493 618 HE2 HIS 80 HE2 HIS 80 -0.462 25.138 -19.057 619 HB2 HIS 80 HB2 HIS 80 -5.058 23.693 -18.595 620 HB3 HIS 80 HB1 HIS 80 -5.339 23.883 -20.322 621 HA MET 1 HA MET 1 -12.556 -18.766 -8.284 622 H1 MET 1 HT1 MET 1 -14.018 -20.613 -8.805 623 H2 MET 1 HT2 MET 1 -14.735 -19.543 -7.708 624 H3 MET 1 HT3 MET 1 -14.109 -21.025 -7.163 625 HB2 MET 1 HB2 MET 1 -12.773 -19.905 -5.488 626 HB3 MET 1 HB1 MET 1 -11.543 -18.750 -5.982 627 HG2 MET 1 HG2 MET 1 -13.205 -17.081 -6.424 628 HG3 MET 1 HG1 MET 1 -14.505 -18.237 -6.137 629 HE1 MET 1 HE1 MET 1 -11.650 -16.762 -2.813 630 HE2 MET 1 HE2 MET 1 -11.574 -16.165 -4.471 631 HE3 MET 1 HE3 MET 1 -11.160 -17.843 -4.117 632 H ALA 2 HN ALA 2 -11.107 -19.670 -9.602 633 HA ALA 2 HA ALA 2 -9.577 -21.967 -8.570 634 HB1 ALA 2 HB1 ALA 2 -9.492 -22.935 -10.790 635 HB2 ALA 2 HB2 ALA 2 -10.449 -21.601 -11.433 636 HB3 ALA 2 HB3 ALA 2 -11.169 -22.728 -10.284 637 H GLN 3 HN GLN 3 -9.641 -19.001 -10.424 638 HA GLN 3 HA GLN 3 -6.757 -19.204 -10.915 639 HB2 GLN 3 HB2 GLN 3 -8.475 -18.539 -12.725 640 HB3 GLN 3 HB1 GLN 3 -8.553 -16.993 -11.890 641 HG2 GLN 3 HG2 GLN 3 -7.015 -16.779 -13.692 642 HG3 GLN 3 HG1 GLN 3 -6.095 -16.775 -12.187 643 HE21 GLN 3 HE21 GLN 3 -7.478 -19.631 -13.672 644 HE22 GLN 3 HE22 GLN 3 -5.968 -20.386 -14.068 645 H HIS 4 HN HIS 4 -5.529 -18.462 -9.306 646 HA HIS 4 HA HIS 4 -6.543 -16.322 -7.587 647 HD1 HIS 4 HD1 HIS 4 -2.684 -16.564 -5.634 648 HD2 HIS 4 HD2 HIS 4 -6.741 -16.616 -4.707 649 HE1 HIS 4 HE1 HIS 4 -2.893 -15.383 -3.418 650 HE2 HIS 4 HE2 HIS 4 -5.322 -15.652 -2.773 651 HB2 HIS 4 HB2 HIS 4 -5.546 -18.479 -6.670 652 HB3 HIS 4 HB1 HIS 4 -3.989 -17.896 -7.245 653 H SER 5 HN SER 5 -3.794 -17.136 -9.640 654 HA SER 5 HA SER 5 -3.459 -14.322 -10.280 655 HG SER 5 HG SER 5 -0.449 -13.524 -9.347 656 HB2 SER 5 HB2 SER 5 -1.904 -14.695 -8.385 657 HB3 SER 5 HB1 SER 5 -1.144 -16.007 -9.281 658 H LYS 6 HN LYS 6 -3.734 -14.401 -12.407 659 HA LYS 6 HA LYS 6 -3.238 -16.727 -13.966 660 HB2 LYS 6 HB2 LYS 6 -4.952 -15.021 -14.533 661 HB3 LYS 6 HB1 LYS 6 -3.662 -13.887 -14.916 662 HG2 LYS 6 HG2 LYS 6 -2.855 -15.534 -16.623 663 HG3 LYS 6 HG1 LYS 6 -4.329 -16.455 -16.323 664 HD2 LYS 6 HD2 LYS 6 -5.678 -14.554 -17.007 665 HD3 LYS 6 HD1 LYS 6 -4.221 -13.585 -17.249 666 HE2 LYS 6 HE2 LYS 6 -3.475 -15.312 -18.914 667 HE3 LYS 6 HE1 LYS 6 -5.076 -16.036 -18.773 668 HZ1 LYS 6 HZ1 LYS 6 -4.569 -13.230 -19.599 669 HZ2 LYS 6 HZ2 LYS 6 -6.067 -14.027 -19.594 670 HZ3 LYS 6 HZ3 LYS 6 -4.845 -14.514 -20.671 671 H TYR 7 HN TYR 7 -1.368 -13.943 -13.118 672 HA TYR 7 HA TYR 7 0.653 -14.303 -15.110 673 HD1 TYR 7 HD1 TYR 7 -1.446 -11.587 -13.102 674 HD2 TYR 7 HD2 TYR 7 1.899 -11.580 -15.725 675 HE1 TYR 7 HE1 TYR 7 -2.438 -9.718 -14.353 676 HE2 TYR 7 HE2 TYR 7 0.917 -9.712 -16.984 677 HH TYR 7 HH TYR 7 -1.539 -7.806 -15.842 678 HB2 TYR 7 HB2 TYR 7 0.621 -12.750 -12.516 679 HB3 TYR 7 HB1 TYR 7 1.990 -12.763 -13.621 680 H SER 8 HN SER 8 0.874 -14.593 -11.572 681 HA SER 8 HA SER 8 1.855 -17.153 -11.375 682 HG SER 8 HG SER 8 4.699 -17.799 -11.489 683 HB2 SER 8 HB2 SER 8 3.741 -16.435 -12.776 684 HB3 SER 8 HB1 SER 8 4.083 -15.119 -11.653 685 H ASP 9 HN ASP 9 1.308 -17.510 -9.341 686 HA ASP 9 HA ASP 9 1.255 -15.562 -7.292 687 HB2 ASP 9 HB2 ASP 9 1.328 -18.587 -7.164 688 HB3 ASP 9 HB1 ASP 9 1.136 -17.561 -5.747 689 H ALA 10 HN ALA 10 3.712 -17.516 -8.660 690 HA ALA 10 HA ALA 10 5.581 -17.366 -6.494 691 HB1 ALA 10 HB1 ALA 10 7.204 -18.225 -8.100 692 HB2 ALA 10 HB2 ALA 10 6.064 -17.944 -9.417 693 HB3 ALA 10 HB3 ALA 10 5.703 -19.146 -8.178 694 H GLN 11 HN GLN 11 4.974 -15.532 -9.453 695 HA GLN 11 HA GLN 11 7.183 -13.763 -9.112 696 HB2 GLN 11 HB2 GLN 11 4.662 -13.592 -10.746 697 HB3 GLN 11 HB1 GLN 11 5.824 -12.275 -10.698 698 HG2 GLN 11 HG2 GLN 11 6.560 -15.077 -11.484 699 HG3 GLN 11 HG1 GLN 11 6.000 -13.873 -12.639 700 HE21 GLN 11 HE21 GLN 11 8.037 -13.113 -9.885 701 HE22 GLN 11 HE22 GLN 11 9.455 -12.730 -10.797 702 H LEU 12 HN LEU 12 3.779 -13.642 -8.172 703 HA LEU 12 HA LEU 12 3.719 -11.011 -7.230 704 HG LEU 12 HG LEU 12 2.116 -11.528 -4.595 705 HB2 LEU 12 HB2 LEU 12 1.685 -12.339 -7.477 706 HB3 LEU 12 HB1 LEU 12 2.216 -13.424 -6.204 707 HD11 LEU 12 HD11 LEU 12 2.420 -9.726 -6.229 708 HD12 LEU 12 HD12 LEU 12 1.002 -9.482 -5.210 709 HD13 LEU 12 HD13 LEU 12 0.808 -10.050 -6.869 710 HD21 LEU 12 HD21 LEU 12 -0.446 -12.119 -6.076 711 HD22 LEU 12 HD22 LEU 12 -0.334 -11.411 -4.463 712 HD23 LEU 12 HD23 LEU 12 0.240 -13.056 -4.747 713 H SER 13 HN SER 13 4.268 -14.017 -5.394 714 HA SER 13 HA SER 13 4.758 -12.789 -2.933 715 HG SER 13 HG SER 13 4.844 -16.000 -4.760 716 HB2 SER 13 HB2 SER 13 5.944 -14.997 -2.410 717 HB3 SER 13 HB1 SER 13 4.259 -15.101 -2.923 718 H ALA 14 HN ALA 14 6.955 -13.581 -5.579 719 HA ALA 14 HA ALA 14 9.384 -13.092 -4.272 720 HB1 ALA 14 HB1 ALA 14 10.338 -12.824 -6.493 721 HB2 ALA 14 HB2 ALA 14 8.723 -12.650 -7.181 722 HB3 ALA 14 HB3 ALA 14 9.213 -14.182 -6.459 723 H ILE 15 HN ILE 15 7.116 -10.883 -5.845 724 HA ILE 15 HA ILE 15 8.817 -8.605 -5.698 725 HB ILE 15 HB ILE 15 5.809 -8.767 -5.947 726 HG12 ILE 15 HG12 ILE 15 7.993 -8.319 -7.995 727 HG13 ILE 15 HG11 ILE 15 7.021 -9.778 -7.818 728 HG21 ILE 15 HG21 ILE 15 5.912 -6.433 -6.690 729 HG22 ILE 15 HG22 ILE 15 7.639 -6.397 -6.335 730 HG23 ILE 15 HG23 ILE 15 6.475 -6.608 -5.027 731 HD11 ILE 15 HD11 ILE 15 6.027 -7.053 -8.627 732 HD12 ILE 15 HD12 ILE 15 5.018 -8.483 -8.400 733 HD13 ILE 15 HD13 ILE 15 6.236 -8.455 -9.675 734 H VAL 16 HN VAL 16 6.241 -9.874 -3.587 735 HA VAL 16 HA VAL 16 6.422 -7.704 -1.747 736 HB VAL 16 HB VAL 16 5.516 -10.147 -0.474 737 HG11 VAL 16 HG11 VAL 16 3.552 -8.810 -0.019 738 HG12 VAL 16 HG12 VAL 16 4.055 -7.615 -1.215 739 HG13 VAL 16 HG13 VAL 16 5.009 -7.853 0.252 740 HG21 VAL 16 HG21 VAL 16 4.971 -10.892 -2.713 741 HG22 VAL 16 HG22 VAL 16 4.140 -9.372 -3.045 742 HG23 VAL 16 HG23 VAL 16 3.498 -10.483 -1.834 743 H ASN 17 HN ASN 17 8.110 -10.726 -2.143 744 HA ASN 17 HA ASN 17 9.392 -10.774 0.383 745 HB2 ASN 17 HB2 ASN 17 10.033 -12.029 -2.272 746 HB3 ASN 17 HB1 ASN 17 11.156 -12.150 -0.925 747 HD21 ASN 17 HD21 ASN 17 9.738 -14.250 -2.279 748 HD22 ASN 17 HD22 ASN 17 8.760 -15.045 -1.084 749 H ASP 18 HN ASP 18 10.098 -9.115 -2.637 750 HA ASP 18 HA ASP 18 12.703 -8.283 -1.888 751 HB2 ASP 18 HB2 ASP 18 11.947 -8.228 -4.246 752 HB3 ASP 18 HB1 ASP 18 10.784 -6.971 -3.832 753 H MET 19 HN MET 19 9.468 -6.888 -1.651 754 HA MET 19 HA MET 19 10.022 -4.445 -0.482 755 HB2 MET 19 HB2 MET 19 7.748 -6.338 0.148 756 HB3 MET 19 HB1 MET 19 7.797 -4.645 0.616 757 HG2 MET 19 HG2 MET 19 7.827 -5.666 -2.215 758 HG3 MET 19 HG1 MET 19 6.412 -5.052 -1.362 759 HE1 MET 19 HE1 MET 19 7.369 -3.956 -4.189 760 HE2 MET 19 HE2 MET 19 7.174 -2.219 -3.953 761 HE3 MET 19 HE3 MET 19 5.958 -3.336 -3.332 762 H ILE 20 HN ILE 20 9.636 -7.594 1.104 763 HA ILE 20 HA ILE 20 10.068 -6.788 3.746 764 HB ILE 20 HB ILE 20 10.859 -9.409 2.458 765 HG12 ILE 20 HG12 ILE 20 8.337 -8.645 3.951 766 HG13 ILE 20 HG11 ILE 20 8.460 -8.848 2.207 767 HG21 ILE 20 HG21 ILE 20 10.735 -10.327 4.736 768 HG22 ILE 20 HG22 ILE 20 10.449 -8.703 5.362 769 HG23 ILE 20 HG23 ILE 20 11.983 -9.090 4.584 770 HD11 ILE 20 HD11 ILE 20 9.005 -11.203 2.514 771 HD12 ILE 20 HD12 ILE 20 7.460 -10.795 3.263 772 HD13 ILE 20 HD13 ILE 20 8.899 -11.003 4.263 773 H ALA 21 HN ALA 21 12.343 -7.733 1.217 774 HA ALA 21 HA ALA 21 14.686 -7.559 2.797 775 HB1 ALA 21 HB1 ALA 21 14.403 -7.253 -0.188 776 HB2 ALA 21 HB2 ALA 21 14.574 -8.784 0.669 777 HB3 ALA 21 HB3 ALA 21 15.890 -7.608 0.690 778 H VAL 22 HN VAL 22 12.946 -5.251 0.780 779 HA VAL 22 HA VAL 22 14.735 -3.108 0.837 780 HB VAL 22 HB VAL 22 11.713 -2.925 0.898 781 HG11 VAL 22 HG11 VAL 22 12.813 -0.796 1.314 782 HG12 VAL 22 HG12 VAL 22 12.047 -0.798 -0.275 783 HG13 VAL 22 HG13 VAL 22 13.793 -1.001 -0.137 784 HG21 VAL 22 HG21 VAL 22 12.364 -4.402 -0.904 785 HG22 VAL 22 HG22 VAL 22 13.578 -3.243 -1.456 786 HG23 VAL 22 HG23 VAL 22 11.863 -2.847 -1.573 787 H LEU 23 HN LEU 23 12.116 -3.959 3.069 788 HA LEU 23 HA LEU 23 12.529 -1.852 4.900 789 HG LEU 23 HG LEU 23 10.132 -3.660 3.678 790 HB2 LEU 23 HB2 LEU 23 11.471 -4.620 5.480 791 HB3 LEU 23 HB1 LEU 23 11.220 -3.182 6.453 792 HD11 LEU 23 HD11 LEU 23 9.015 -4.985 5.389 793 HD12 LEU 23 HD12 LEU 23 7.960 -3.703 4.796 794 HD13 LEU 23 HD13 LEU 23 8.760 -3.536 6.360 795 HD21 LEU 23 HD21 LEU 23 9.754 -1.320 5.542 796 HD22 LEU 23 HD22 LEU 23 8.923 -1.562 4.006 797 HD23 LEU 23 HD23 LEU 23 10.668 -1.309 4.034 798 H GLU 24 HN GLU 24 13.743 -5.149 4.735 799 HA GLU 24 HA GLU 24 15.193 -5.230 7.118 800 HB2 GLU 24 HB2 GLU 24 14.633 -7.203 5.778 801 HB3 GLU 24 HB1 GLU 24 15.697 -6.654 4.497 802 HG2 GLU 24 HG2 GLU 24 16.724 -8.431 5.762 803 HG3 GLU 24 HG1 GLU 24 17.620 -6.928 5.972 804 H LYS 25 HN LYS 25 15.974 -3.767 4.033 805 HA LYS 25 HA LYS 25 18.750 -3.547 4.257 806 HB2 LYS 25 HB2 LYS 25 16.830 -1.546 3.043 807 HB3 LYS 25 HB1 LYS 25 18.564 -1.579 2.774 808 HG2 LYS 25 HG2 LYS 25 18.350 -3.773 1.701 809 HG3 LYS 25 HG1 LYS 25 16.606 -3.715 1.962 810 HD2 LYS 25 HD2 LYS 25 16.576 -1.582 0.633 811 HD3 LYS 25 HD1 LYS 25 18.265 -1.893 0.227 812 HE2 LYS 25 HE2 LYS 25 17.615 -4.039 -0.772 813 HE3 LYS 25 HE1 LYS 25 15.930 -3.705 -0.381 814 HZ1 LYS 25 HZ1 LYS 25 17.651 -2.439 -2.409 815 HZ2 LYS 25 HZ2 LYS 25 16.341 -1.572 -1.772 816 HZ3 LYS 25 HZ3 LYS 25 16.077 -3.052 -2.567 817 H HIS 26 HN HIS 26 16.212 -1.330 5.397 818 HA HIS 26 HA HIS 26 18.271 0.270 6.736 819 HD1 HIS 26 HD1 HIS 26 18.153 3.351 6.256 820 HD2 HIS 26 HD2 HIS 26 16.220 1.111 3.332 821 HE1 HIS 26 HE1 HIS 26 18.833 4.371 4.055 822 HE2 HIS 26 HE2 HIS 26 17.517 3.103 2.311 823 HB2 HIS 26 HB2 HIS 26 15.411 0.827 5.993 824 HB3 HIS 26 HB1 HIS 26 16.265 1.838 7.153 825 H LYS 27 HN LYS 27 15.880 -2.059 7.405 826 HA LYS 27 HA LYS 27 14.995 -2.920 9.312 827 HB2 LYS 27 HB2 LYS 27 17.480 -3.123 9.771 828 HB3 LYS 27 HB1 LYS 27 17.354 -1.645 10.711 829 HG2 LYS 27 HG2 LYS 27 15.849 -2.710 12.263 830 HG3 LYS 27 HG1 LYS 27 15.829 -4.176 11.280 831 HD2 LYS 27 HD2 LYS 27 18.232 -4.458 11.659 832 HD3 LYS 27 HD1 LYS 27 18.244 -2.998 12.650 833 HE2 LYS 27 HE2 LYS 27 16.626 -5.473 13.233 834 HE3 LYS 27 HE1 LYS 27 18.170 -5.077 13.987 835 HZ1 LYS 27 HZ1 LYS 27 15.728 -3.390 14.150 836 HZ2 LYS 27 HZ2 LYS 27 17.199 -3.118 14.948 837 HZ3 LYS 27 HZ3 LYS 27 16.249 -4.464 15.354 838 H ALA 28 HN ALA 28 13.512 -1.022 8.682 839 HA ALA 28 HA ALA 28 13.535 1.183 10.601 840 HB1 ALA 28 HB1 ALA 28 13.368 1.747 8.234 841 HB2 ALA 28 HB2 ALA 28 11.907 2.227 9.098 842 HB3 ALA 28 HB3 ALA 28 11.902 0.775 8.096 843 HA PRO 29 HA PRO 29 10.000 -0.334 12.853 844 HB2 PRO 29 HB2 PRO 29 8.773 1.981 13.536 845 HB3 PRO 29 HB1 PRO 29 10.284 1.449 14.282 846 HG2 PRO 29 HG2 PRO 29 9.857 3.431 12.076 847 HG3 PRO 29 HG1 PRO 29 10.926 3.542 13.488 848 HD2 PRO 29 HD2 PRO 29 11.827 2.853 11.033 849 HD3 PRO 29 HD1 PRO 29 12.545 2.212 12.524 850 H VAL 30 HN VAL 30 7.556 -0.082 12.945 851 HA VAL 30 HA VAL 30 6.518 -0.687 10.416 852 HB VAL 30 HB VAL 30 4.306 -0.660 11.476 853 HG11 VAL 30 HG11 VAL 30 6.451 -1.966 13.143 854 HG12 VAL 30 HG12 VAL 30 5.721 -2.629 11.682 855 HG13 VAL 30 HG13 VAL 30 4.744 -2.407 13.134 856 HG21 VAL 30 HG21 VAL 30 4.072 -0.140 13.856 857 HG22 VAL 30 HG22 VAL 30 4.590 1.276 12.939 858 HG23 VAL 30 HG23 VAL 30 5.758 0.378 13.909 859 H ASP 31 HN ASP 31 6.600 2.357 12.162 860 HA ASP 31 HA ASP 31 4.585 3.681 10.714 861 HB2 ASP 31 HB2 ASP 31 7.011 4.796 12.127 862 HB3 ASP 31 HB1 ASP 31 5.689 5.776 11.503 863 H LEU 32 HN LEU 32 8.122 3.832 10.316 864 HA LEU 32 HA LEU 32 8.081 5.437 8.017 865 HG LEU 32 HG LEU 32 9.891 5.327 10.529 866 HB2 LEU 32 HB2 LEU 32 10.154 3.461 8.966 867 HB3 LEU 32 HB1 LEU 32 10.401 4.587 7.645 868 HD11 LEU 32 HD11 LEU 32 12.123 4.418 10.139 869 HD12 LEU 32 HD12 LEU 32 12.183 6.143 10.494 870 HD13 LEU 32 HD13 LEU 32 12.370 5.579 8.834 871 HD21 LEU 32 HD21 LEU 32 10.350 7.628 9.785 872 HD22 LEU 32 HD22 LEU 32 8.902 6.962 9.031 873 HD23 LEU 32 HD23 LEU 32 10.406 7.062 8.115 874 H SER 33 HN SER 33 8.061 1.931 8.419 875 HA SER 33 HA SER 33 8.254 1.221 5.713 876 HG SER 33 HG SER 33 6.876 -0.778 5.405 877 HB2 SER 33 HB2 SER 33 8.530 -0.422 7.489 878 HB3 SER 33 HB1 SER 33 6.860 -0.179 8.008 879 H LEU 34 HN LEU 34 5.511 2.141 7.712 880 HA LEU 34 HA LEU 34 3.530 1.395 5.801 881 HG LEU 34 HG LEU 34 1.142 2.599 6.562 882 HB2 LEU 34 HB2 LEU 34 3.381 1.746 8.396 883 HB3 LEU 34 HB1 LEU 34 3.050 3.411 7.956 884 HD11 LEU 34 HD11 LEU 34 1.859 0.339 6.159 885 HD12 LEU 34 HD12 LEU 34 0.319 0.314 7.019 886 HD13 LEU 34 HD13 LEU 34 1.820 -0.022 7.886 887 HD21 LEU 34 HD21 LEU 34 -0.337 2.152 8.466 888 HD22 LEU 34 HD22 LEU 34 0.770 3.485 8.796 889 HD23 LEU 34 HD23 LEU 34 1.072 1.894 9.496 890 H ILE 35 HN ILE 35 5.146 4.425 6.671 891 HA ILE 35 HA ILE 35 3.484 6.062 5.043 892 HB ILE 35 HB ILE 35 6.288 6.703 5.975 893 HG12 ILE 35 HG12 ILE 35 3.651 7.295 7.346 894 HG13 ILE 35 HG11 ILE 35 4.762 6.021 7.835 895 HG21 ILE 35 HG21 ILE 35 5.432 8.189 4.236 896 HG22 ILE 35 HG22 ILE 35 5.541 9.029 5.782 897 HG23 ILE 35 HG23 ILE 35 3.975 8.478 5.186 898 HD11 ILE 35 HD11 ILE 35 5.387 8.965 7.815 899 HD12 ILE 35 HD12 ILE 35 6.460 7.673 8.355 900 HD13 ILE 35 HD13 ILE 35 4.968 8.007 9.235 901 H ALA 36 HN ALA 36 6.582 4.430 4.481 902 HA ALA 36 HA ALA 36 7.123 5.445 1.935 903 HB1 ALA 36 HB1 ALA 36 8.730 4.105 3.216 904 HB2 ALA 36 HB2 ALA 36 8.470 3.436 1.605 905 HB3 ALA 36 HB3 ALA 36 7.708 2.682 3.005 906 H LEU 37 HN LEU 37 5.236 2.629 2.974 907 HA LEU 37 HA LEU 37 4.393 1.814 0.414 908 HG LEU 37 HG LEU 37 2.960 -0.159 0.469 909 HB2 LEU 37 HB2 LEU 37 4.246 0.544 2.621 910 HB3 LEU 37 HB1 LEU 37 2.825 1.503 2.972 911 HD11 LEU 37 HD11 LEU 37 2.089 -1.081 3.205 912 HD12 LEU 37 HD12 LEU 37 3.501 -1.654 2.318 913 HD13 LEU 37 HD13 LEU 37 1.881 -1.977 1.700 914 HD21 LEU 37 HD21 LEU 37 0.683 0.781 2.214 915 HD22 LEU 37 HD22 LEU 37 0.526 -0.180 0.744 916 HD23 LEU 37 HD23 LEU 37 1.147 1.468 0.657 917 H GLY 38 HN GLY 38 3.056 4.071 2.777 918 HA2 GLY 38 HA2 GLY 38 0.653 4.695 1.493 919 HA3 GLY 38 HA1 GLY 38 1.531 5.766 2.574 920 H ASN 39 HN ASN 39 3.784 6.419 1.275 921 HA ASN 39 HA ASN 39 2.937 8.259 -0.679 922 HB2 ASN 39 HB2 ASN 39 5.027 8.464 0.695 923 HB3 ASN 39 HB1 ASN 39 5.753 7.209 -0.306 924 HD21 ASN 39 HD21 ASN 39 7.372 8.637 -1.003 925 HD22 ASN 39 HD22 ASN 39 7.049 9.890 -2.155 926 H MET 40 HN MET 40 4.378 5.043 -0.949 927 HA MET 40 HA MET 40 4.743 5.045 -3.749 928 HB2 MET 40 HB2 MET 40 5.805 3.420 -2.223 929 HB3 MET 40 HB1 MET 40 4.232 2.697 -1.912 930 HG2 MET 40 HG2 MET 40 5.458 1.359 -3.490 931 HG3 MET 40 HG1 MET 40 4.067 2.089 -4.288 932 HE1 MET 40 HE1 MET 40 6.905 1.887 -7.048 933 HE2 MET 40 HE2 MET 40 5.281 1.361 -6.608 934 HE3 MET 40 HE3 MET 40 6.674 0.759 -5.711 935 H ALA 41 HN ALA 41 2.083 3.837 -1.721 936 HA ALA 41 HA ALA 41 0.455 2.842 -3.757 937 HB1 ALA 41 HB1 ALA 41 0.068 2.408 -1.370 938 HB2 ALA 41 HB2 ALA 41 -1.382 3.015 -2.172 939 HB3 ALA 41 HB3 ALA 41 -0.425 4.088 -1.152 940 H SER 42 HN SER 42 0.451 6.047 -2.227 941 HA SER 42 HA SER 42 -1.578 7.206 -3.754 942 HG SER 42 HG SER 42 -0.025 7.589 -0.918 943 HB2 SER 42 HB2 SER 42 0.882 8.582 -2.641 944 HB3 SER 42 HB1 SER 42 -0.661 9.341 -3.036 945 H ASN 43 HN ASN 43 1.941 7.212 -4.266 946 HA ASN 43 HA ASN 43 2.048 8.676 -6.615 947 HB2 ASN 43 HB2 ASN 43 4.067 8.097 -5.426 948 HB3 ASN 43 HB1 ASN 43 3.787 6.379 -5.691 949 HD21 ASN 43 HD21 ASN 43 4.345 5.466 -7.635 950 HD22 ASN 43 HD22 ASN 43 5.220 6.312 -8.863 951 H LEU 44 HN LEU 44 1.689 5.145 -6.250 952 HA LEU 44 HA LEU 44 1.632 4.651 -9.039 953 HG LEU 44 HG LEU 44 3.075 3.193 -6.670 954 HB2 LEU 44 HB2 LEU 44 0.667 2.984 -6.725 955 HB3 LEU 44 HB1 LEU 44 0.717 2.421 -8.385 956 HD11 LEU 44 HD11 LEU 44 2.142 1.011 -6.162 957 HD12 LEU 44 HD12 LEU 44 3.703 0.848 -6.965 958 HD13 LEU 44 HD13 LEU 44 2.215 0.565 -7.867 959 HD21 LEU 44 HD21 LEU 44 3.458 3.928 -8.956 960 HD22 LEU 44 HD22 LEU 44 2.997 2.337 -9.562 961 HD23 LEU 44 HD23 LEU 44 4.456 2.520 -8.589 962 H LEU 45 HN LEU 45 -0.934 5.162 -6.654 963 HA LEU 45 HA LEU 45 -3.014 4.461 -8.491 964 HG LEU 45 HG LEU 45 -2.469 3.529 -5.618 965 HB2 LEU 45 HB2 LEU 45 -3.117 5.900 -5.841 966 HB3 LEU 45 HB1 LEU 45 -4.534 5.419 -6.753 967 HD11 LEU 45 HD11 LEU 45 -3.763 4.571 -3.861 968 HD12 LEU 45 HD12 LEU 45 -4.268 2.894 -4.066 969 HD13 LEU 45 HD13 LEU 45 -5.263 4.199 -4.710 970 HD21 LEU 45 HD21 LEU 45 -5.119 2.974 -6.957 971 HD22 LEU 45 HD22 LEU 45 -4.046 1.773 -6.235 972 HD23 LEU 45 HD23 LEU 45 -3.528 2.677 -7.659 973 H THR 46 HN THR 46 -1.124 7.243 -8.154 974 HA THR 46 HA THR 46 -3.218 8.867 -9.416 975 HB THR 46 HB THR 46 -1.629 10.787 -8.993 976 HG1 THR 46 HG1 THR 46 -0.374 9.059 -7.135 977 HG21 THR 46 HG21 THR 46 -2.610 9.236 -6.595 978 HG22 THR 46 HG22 THR 46 -3.568 10.356 -7.563 979 HG23 THR 46 HG23 THR 46 -2.204 10.952 -6.617 980 H THR 47 HN THR 47 -0.761 6.903 -10.387 981 HA THR 47 HA THR 47 -0.273 8.536 -12.784 982 HB THR 47 HB THR 47 2.071 7.652 -12.846 983 HG1 THR 47 HG1 THR 47 1.777 7.091 -10.084 984 HG21 THR 47 HG21 THR 47 1.300 9.343 -10.466 985 HG22 THR 47 HG22 THR 47 1.644 9.921 -12.097 986 HG23 THR 47 HG23 THR 47 2.930 9.207 -11.124 987 H SER 48 HN SER 48 -0.395 5.252 -11.419 988 HA SER 48 HA SER 48 -0.058 4.234 -14.166 989 HG SER 48 HG SER 48 0.065 3.382 -10.838 990 HB2 SER 48 HB2 SER 48 0.728 2.107 -12.930 991 HB3 SER 48 HB1 SER 48 1.817 3.493 -12.994 992 H VAL 49 HN VAL 49 -2.603 4.948 -12.841 993 HA VAL 49 HA VAL 49 -3.874 2.297 -13.069 994 HB VAL 49 HB VAL 49 -5.749 3.152 -11.734 995 HG11 VAL 49 HG11 VAL 49 -4.610 3.225 -9.558 996 HG12 VAL 49 HG12 VAL 49 -3.068 3.437 -10.390 997 HG13 VAL 49 HG13 VAL 49 -3.987 1.946 -10.600 998 HG21 VAL 49 HG21 VAL 49 -4.049 5.615 -11.377 999 HG22 VAL 49 HG22 VAL 49 -5.553 5.273 -10.522 1000 HG23 VAL 49 HG23 VAL 49 -5.566 5.518 -12.268 1001 HA PRO 50 HA PRO 50 -6.173 3.647 -16.647 1002 HB2 PRO 50 HB2 PRO 50 -8.575 2.705 -15.151 1003 HB3 PRO 50 HB1 PRO 50 -8.055 2.316 -16.795 1004 HG2 PRO 50 HG2 PRO 50 -7.737 0.551 -14.831 1005 HG3 PRO 50 HG1 PRO 50 -6.488 0.763 -16.073 1006 HD2 PRO 50 HD2 PRO 50 -6.528 1.707 -13.242 1007 HD3 PRO 50 HD1 PRO 50 -5.165 1.131 -14.223 1008 H GLN 51 HN GLN 51 -6.403 5.771 -16.874 1009 HA GLN 51 HA GLN 51 -7.008 7.518 -14.785 1010 HB2 GLN 51 HB2 GLN 51 -7.440 9.052 -16.993 1011 HB3 GLN 51 HB1 GLN 51 -5.875 8.755 -16.256 1012 HG2 GLN 51 HG2 GLN 51 -5.681 8.432 -18.613 1013 HG3 GLN 51 HG1 GLN 51 -5.554 6.861 -17.829 1014 HE21 GLN 51 HE21 GLN 51 -7.509 8.911 -19.849 1015 HE22 GLN 51 HE22 GLN 51 -8.587 7.674 -20.392 1016 H THR 52 HN THR 52 -9.145 6.031 -17.118 1017 HA THR 52 HA THR 52 -11.291 7.885 -16.583 1018 HB THR 52 HB THR 52 -12.629 6.289 -17.979 1019 HG1 THR 52 HG1 THR 52 -11.771 4.347 -18.129 1020 HG21 THR 52 HG21 THR 52 -10.014 7.322 -19.049 1021 HG22 THR 52 HG22 THR 52 -11.535 8.208 -18.949 1022 HG23 THR 52 HG23 THR 52 -11.383 6.836 -20.050 1023 H GLN 53 HN GLN 53 -10.284 4.746 -15.508 1024 HA GLN 53 HA GLN 53 -12.785 4.435 -13.995 1025 HB2 GLN 53 HB2 GLN 53 -11.890 2.630 -15.619 1026 HB3 GLN 53 HB1 GLN 53 -10.691 2.302 -14.377 1027 HG2 GLN 53 HG2 GLN 53 -12.397 1.702 -12.804 1028 HG3 GLN 53 HG1 GLN 53 -13.665 2.201 -13.924 1029 HE21 GLN 53 HE21 GLN 53 -10.791 0.487 -14.908 1030 HE22 GLN 53 HE22 GLN 53 -11.573 -1.000 -15.320 1031 H CYS 54 HN CYS 54 -10.233 6.039 -13.501 1032 HA CYS 54 HA CYS 54 -8.766 4.967 -11.384 1033 HG CYS 54 HG CYS 54 -9.535 8.752 -13.464 1034 HB2 CYS 54 HB2 CYS 54 -8.251 7.346 -10.798 1035 HB3 CYS 54 HB1 CYS 54 -8.002 6.949 -12.495 1036 H GLU 55 HN GLU 55 -11.722 6.901 -11.280 1037 HA GLU 55 HA GLU 55 -12.010 7.266 -8.552 1038 HB2 GLU 55 HB2 GLU 55 -13.417 8.251 -10.388 1039 HB3 GLU 55 HB1 GLU 55 -14.238 6.704 -10.520 1040 HG2 GLU 55 HG2 GLU 55 -15.641 8.044 -9.220 1041 HG3 GLU 55 HG1 GLU 55 -14.838 6.968 -8.077 1042 H ALA 56 HN ALA 56 -13.090 4.564 -10.565 1043 HA ALA 56 HA ALA 56 -14.409 3.151 -8.501 1044 HB1 ALA 56 HB1 ALA 56 -13.329 2.127 -11.122 1045 HB2 ALA 56 HB2 ALA 56 -14.934 2.812 -10.858 1046 HB3 ALA 56 HB3 ALA 56 -14.483 1.295 -10.080 1047 H LEU 57 HN LEU 57 -11.158 2.880 -9.900 1048 HA LEU 57 HA LEU 57 -10.474 0.558 -8.393 1049 HG LEU 57 HG LEU 57 -9.078 -0.578 -9.987 1050 HB2 LEU 57 HB2 LEU 57 -9.004 2.436 -10.159 1051 HB3 LEU 57 HB1 LEU 57 -8.057 1.486 -9.032 1052 HD11 LEU 57 HD11 LEU 57 -11.123 0.381 -10.880 1053 HD12 LEU 57 HD12 LEU 57 -10.205 -0.436 -12.148 1054 HD13 LEU 57 HD13 LEU 57 -10.190 1.325 -12.040 1055 HD21 LEU 57 HD21 LEU 57 -7.615 1.225 -11.906 1056 HD22 LEU 57 HD22 LEU 57 -7.771 -0.524 -12.063 1057 HD23 LEU 57 HD23 LEU 57 -6.887 0.163 -10.700 1058 H ALA 58 HN ALA 58 -9.967 4.018 -7.893 1059 HA ALA 58 HA ALA 58 -8.216 3.865 -5.718 1060 HB1 ALA 58 HB1 ALA 58 -8.703 5.954 -6.877 1061 HB2 ALA 58 HB2 ALA 58 -9.004 6.113 -5.145 1062 HB3 ALA 58 HB3 ALA 58 -10.355 5.920 -6.262 1063 H GLN 59 HN GLN 59 -11.769 4.024 -5.778 1064 HA GLN 59 HA GLN 59 -12.029 3.718 -2.956 1065 HB2 GLN 59 HB2 GLN 59 -14.018 3.364 -5.199 1066 HB3 GLN 59 HB1 GLN 59 -14.439 3.289 -3.493 1067 HG2 GLN 59 HG2 GLN 59 -13.748 5.576 -3.177 1068 HG3 GLN 59 HG1 GLN 59 -13.181 5.667 -4.842 1069 HE21 GLN 59 HE21 GLN 59 -14.664 5.838 -6.501 1070 HE22 GLN 59 HE22 GLN 59 -16.330 6.227 -6.229 1071 H ALA 60 HN ALA 60 -11.884 1.490 -5.650 1072 HA ALA 60 HA ALA 60 -12.847 -0.801 -4.323 1073 HB1 ALA 60 HB1 ALA 60 -11.769 -2.081 -6.094 1074 HB2 ALA 60 HB2 ALA 60 -10.863 -0.651 -6.588 1075 HB3 ALA 60 HB3 ALA 60 -12.617 -0.684 -6.755 1076 H PHE 61 HN PHE 61 -9.523 0.391 -4.807 1077 HA PHE 61 HA PHE 61 -8.248 -1.751 -3.488 1078 HD1 PHE 61 HD2 PHE 61 -5.736 0.746 -1.719 1079 HD2 PHE 61 HD1 PHE 61 -5.642 -1.888 -5.064 1080 HE1 PHE 61 HE2 PHE 61 -3.581 -0.150 -0.950 1081 HE2 PHE 61 HE1 PHE 61 -3.486 -2.788 -4.296 1082 HZ PHE 61 HZ PHE 61 -2.454 -1.920 -2.238 1083 HB2 PHE 61 HB2 PHE 61 -7.169 -0.032 -5.013 1084 HB3 PHE 61 HB1 PHE 61 -7.209 1.084 -3.654 1085 H SER 62 HN SER 62 -9.304 1.431 -2.342 1086 HA SER 62 HA SER 62 -8.201 1.198 0.241 1087 HG SER 62 HG SER 62 -10.181 3.362 -2.006 1088 HB2 SER 62 HB2 SER 62 -9.894 3.069 0.745 1089 HB3 SER 62 HB1 SER 62 -8.680 3.381 -0.496 1090 H ASN 63 HN ASN 63 -11.573 0.776 -0.875 1091 HA ASN 63 HA ASN 63 -12.544 -0.059 1.643 1092 HB2 ASN 63 HB2 ASN 63 -13.678 -0.520 -1.124 1093 HB3 ASN 63 HB1 ASN 63 -14.530 -0.897 0.371 1094 HD21 ASN 63 HD21 ASN 63 -15.337 0.927 -1.693 1095 HD22 ASN 63 HD22 ASN 63 -15.438 2.498 -0.977 1096 H SER 64 HN SER 64 -10.958 -1.774 -0.936 1097 HA SER 64 HA SER 64 -11.637 -4.400 -0.161 1098 HG SER 64 HG SER 64 -9.188 -5.683 -0.686 1099 HB2 SER 64 HB2 SER 64 -10.554 -3.816 -2.327 1100 HB3 SER 64 HB1 SER 64 -9.068 -3.449 -1.456 1101 H LEU 65 HN LEU 65 -9.058 -2.194 0.836 1102 HA LEU 65 HA LEU 65 -7.683 -3.983 2.523 1103 HG LEU 65 HG LEU 65 -6.938 -1.606 0.597 1104 HB2 LEU 65 HB2 LEU 65 -7.954 -0.982 2.751 1105 HB3 LEU 65 HB1 LEU 65 -6.766 -1.957 3.592 1106 HD11 LEU 65 HD11 LEU 65 -4.883 -0.310 0.858 1107 HD12 LEU 65 HD12 LEU 65 -4.998 -0.477 2.610 1108 HD13 LEU 65 HD13 LEU 65 -6.229 0.428 1.727 1109 HD21 LEU 65 HD21 LEU 65 -4.766 -2.747 0.571 1110 HD22 LEU 65 HD22 LEU 65 -6.043 -3.784 1.203 1111 HD23 LEU 65 HD23 LEU 65 -4.898 -3.025 2.308 1112 H ILE 66 HN ILE 66 -10.356 -1.746 3.102 1113 HA ILE 66 HA ILE 66 -10.575 -1.992 5.875 1114 HB ILE 66 HB ILE 66 -12.977 -1.782 4.071 1115 HG12 ILE 66 HG12 ILE 66 -11.329 -0.222 3.172 1116 HG13 ILE 66 HG11 ILE 66 -12.621 0.657 3.980 1117 HG21 ILE 66 HG21 ILE 66 -13.830 -0.338 5.863 1118 HG22 ILE 66 HG22 ILE 66 -12.343 -0.610 6.774 1119 HG23 ILE 66 HG23 ILE 66 -13.431 -1.957 6.440 1120 HD11 ILE 66 HD11 ILE 66 -9.900 0.091 5.120 1121 HD12 ILE 66 HD12 ILE 66 -11.186 1.006 5.909 1122 HD13 ILE 66 HD13 ILE 66 -10.442 1.621 4.430 1123 H ASN 67 HN ASN 67 -12.128 -3.850 3.294 1124 HA ASN 67 HA ASN 67 -13.542 -5.600 5.023 1125 HB2 ASN 67 HB2 ASN 67 -12.894 -5.620 2.096 1126 HB3 ASN 67 HB1 ASN 67 -13.637 -7.028 2.846 1127 HD21 ASN 67 HD21 ASN 67 -14.048 -3.653 2.035 1128 HD22 ASN 67 HD22 ASN 67 -15.767 -3.625 2.219 1129 H ALA 68 HN ALA 68 -10.427 -5.824 3.358 1130 HA ALA 68 HA ALA 68 -9.861 -8.507 3.891 1131 HB1 ALA 68 HB1 ALA 68 -8.563 -7.118 2.332 1132 HB2 ALA 68 HB2 ALA 68 -7.532 -7.941 3.501 1133 HB3 ALA 68 HB3 ALA 68 -7.894 -6.228 3.698 1134 H VAL 69 HN VAL 69 -9.008 -5.603 5.772 1135 HA VAL 69 HA VAL 69 -7.730 -6.930 7.892 1136 HB VAL 69 HB VAL 69 -9.255 -4.315 7.937 1137 HG11 VAL 69 HG11 VAL 69 -7.933 -3.802 9.946 1138 HG12 VAL 69 HG12 VAL 69 -7.279 -5.440 9.923 1139 HG13 VAL 69 HG13 VAL 69 -9.003 -5.183 10.189 1140 HG21 VAL 69 HG21 VAL 69 -7.427 -4.279 6.351 1141 HG22 VAL 69 HG22 VAL 69 -6.320 -4.909 7.572 1142 HG23 VAL 69 HG23 VAL 69 -7.015 -3.298 7.758 1143 H LYS 70 HN LYS 70 -11.080 -5.858 7.507 1144 HA LYS 70 HA LYS 70 -12.103 -6.636 9.966 1145 HB2 LYS 70 HB2 LYS 70 -13.398 -5.269 8.462 1146 HB3 LYS 70 HB1 LYS 70 -13.412 -6.538 7.245 1147 HG2 LYS 70 HG2 LYS 70 -14.723 -7.946 8.820 1148 HG3 LYS 70 HG1 LYS 70 -14.816 -6.559 9.907 1149 HD2 LYS 70 HD2 LYS 70 -16.834 -6.737 8.552 1150 HD3 LYS 70 HD1 LYS 70 -15.942 -5.269 8.153 1151 HE2 LYS 70 HE2 LYS 70 -16.755 -6.362 6.137 1152 HE3 LYS 70 HE1 LYS 70 -14.994 -6.380 6.187 1153 HZ1 LYS 70 HZ1 LYS 70 -14.981 -8.660 6.735 1154 HZ2 LYS 70 HZ2 LYS 70 -16.110 -8.504 5.484 1155 HZ3 LYS 70 HZ3 LYS 70 -16.638 -8.679 7.085 1156 H THR 71 HN THR 71 -12.043 -8.498 6.930 1157 HA THR 71 HA THR 71 -13.367 -10.742 8.064 1158 HB THR 71 HB THR 71 -11.747 -10.612 5.517 1159 HG1 THR 71 HG1 THR 71 -13.531 -9.772 4.575 1160 HG21 THR 71 HG21 THR 71 -14.004 -12.438 6.366 1161 HG22 THR 71 HG22 THR 71 -12.310 -12.897 6.199 1162 HG23 THR 71 HG23 THR 71 -13.238 -12.423 4.776 1163 H ARG 72 HN ARG 72 -9.997 -9.820 7.795 1164 HA ARG 72 HA ARG 72 -8.975 -12.428 8.407 1165 HE ARG 72 HE ARG 72 -7.312 -12.586 10.619 1166 HB2 ARG 72 HB2 ARG 72 -7.749 -10.347 7.367 1167 HB3 ARG 72 HB1 ARG 72 -7.481 -9.901 9.044 1168 HG2 ARG 72 HG2 ARG 72 -6.740 -12.658 8.238 1169 HG3 ARG 72 HG1 ARG 72 -5.744 -11.342 7.629 1170 HD2 ARG 72 HD2 ARG 72 -4.745 -12.135 9.644 1171 HD3 ARG 72 HD1 ARG 72 -5.461 -10.564 9.990 1172 HH11 ARG 72 HH11 ARG 72 -4.199 -11.458 11.755 1173 HH12 ARG 72 HH12 ARG 72 -4.572 -11.742 13.433 1174 HH21 ARG 72 HH21 ARG 72 -7.798 -12.975 12.791 1175 HH22 ARG 72 HH22 ARG 72 -6.634 -12.607 14.029 1176 H LEU 73 HN LEU 73 -9.451 -9.437 10.276 1177 HA LEU 73 HA LEU 73 -8.627 -10.496 12.756 1178 HG LEU 73 HG LEU 73 -10.475 -8.848 14.605 1179 HB2 LEU 73 HB2 LEU 73 -8.764 -8.086 12.236 1180 HB3 LEU 73 HB1 LEU 73 -10.512 -8.200 12.199 1181 HD11 LEU 73 HD11 LEU 73 -8.427 -8.469 15.889 1182 HD12 LEU 73 HD12 LEU 73 -7.546 -8.159 14.394 1183 HD13 LEU 73 HD13 LEU 73 -8.218 -9.760 14.706 1184 HD21 LEU 73 HD21 LEU 73 -10.889 -6.544 13.919 1185 HD22 LEU 73 HD22 LEU 73 -9.155 -6.220 13.932 1186 HD23 LEU 73 HD23 LEU 73 -9.991 -6.603 15.436 1187 H GLU 74 HN GLU 74 -11.661 -10.562 11.061 1188 HA GLU 74 HA GLU 74 -13.442 -11.249 13.074 1189 HB2 GLU 74 HB2 GLU 74 -14.194 -10.775 10.828 1190 HB3 GLU 74 HB1 GLU 74 -13.307 -12.151 10.189 1191 HG2 GLU 74 HG2 GLU 74 -14.768 -13.657 11.465 1192 HG3 GLU 74 HG1 GLU 74 -15.680 -12.260 12.038 1193 H HIS 75 HN HIS 75 -13.426 -12.878 14.468 1194 HA HIS 75 HA HIS 75 -11.820 -15.240 13.937 1195 HD1 HIS 75 HD1 HIS 75 -10.087 -15.978 15.247 1196 HD2 HIS 75 HD2 HIS 75 -13.050 -16.923 18.015 1197 HE1 HIS 75 HE1 HIS 75 -9.242 -18.000 16.487 1198 HE2 HIS 75 HE2 HIS 75 -10.966 -18.438 18.274 1199 HB2 HIS 75 HB2 HIS 75 -12.026 -13.970 16.198 1200 HB3 HIS 75 HB1 HIS 75 -13.546 -14.839 16.370 1201 H HIS 76 HN HIS 76 -13.330 -15.531 12.064 1202 HA HIS 76 HA HIS 76 -16.051 -16.139 12.378 1203 HD1 HIS 76 HD1 HIS 76 -15.405 -18.491 8.572 1204 HD2 HIS 76 HD2 HIS 76 -17.965 -15.823 10.483 1205 HE1 HIS 76 HE1 HIS 76 -17.699 -18.957 7.637 1206 HE2 HIS 76 HE2 HIS 76 -19.202 -17.229 8.697 1207 HB2 HIS 76 HB2 HIS 76 -14.921 -15.453 10.253 1208 HB3 HIS 76 HB1 HIS 76 -14.204 -17.056 10.164 1209 H HIS 77 HN HIS 77 -17.129 -17.948 12.866 1210 HA HIS 77 HA HIS 77 -15.627 -20.279 13.708 1211 HD1 HIS 77 HD1 HIS 77 -19.268 -18.192 15.515 1212 HD2 HIS 77 HD2 HIS 77 -15.682 -20.123 16.367 1213 HE1 HIS 77 HE1 HIS 77 -18.514 -17.277 17.733 1214 HE2 HIS 77 HE2 HIS 77 -16.264 -18.337 18.149 1215 HB2 HIS 77 HB2 HIS 77 -18.608 -19.734 13.712 1216 HB3 HIS 77 HB1 HIS 77 -17.850 -21.170 14.391 1217 H HIS 78 HN HIS 78 -16.708 -22.479 13.056 1218 HA HIS 78 HA HIS 78 -16.998 -22.457 10.113 1219 HD1 HIS 78 HD1 HIS 78 -13.106 -23.797 12.312 1220 HD2 HIS 78 HD2 HIS 78 -14.615 -21.531 9.171 1221 HE1 HIS 78 HE1 HIS 78 -11.335 -22.091 11.796 1222 HE2 HIS 78 HE2 HIS 78 -12.189 -20.867 9.766 1223 HB2 HIS 78 HB2 HIS 78 -15.400 -24.467 11.723 1224 HB3 HIS 78 HB1 HIS 78 -15.561 -24.421 9.973 1225 H HIS 79 HN HIS 79 -19.061 -22.567 12.069 1226 HA HIS 79 HA HIS 79 -20.939 -23.695 12.651 1227 HD1 HIS 79 HD1 HIS 79 -20.318 -24.811 8.424 1228 HD2 HIS 79 HD2 HIS 79 -23.238 -23.620 11.135 1229 HE1 HIS 79 HE1 HIS 79 -21.968 -23.462 7.095 1230 HE2 HIS 79 HE2 HIS 79 -23.839 -22.958 8.705 1231 HB2 HIS 79 HB2 HIS 79 -19.912 -25.730 10.673 1232 HB3 HIS 79 HB1 HIS 79 -21.387 -25.976 11.600 1233 H HIS 80 HN HIS 80 -21.586 -25.193 14.227 1234 HA HIS 80 HA HIS 80 -19.444 -26.876 15.323 1235 HD1 HIS 80 HD1 HIS 80 -21.239 -26.920 19.008 1236 HD2 HIS 80 HD2 HIS 80 -17.436 -26.034 17.580 1237 HE1 HIS 80 HE1 HIS 80 -19.639 -27.947 20.654 1238 HE2 HIS 80 HE2 HIS 80 -17.347 -27.260 19.853 1239 HB2 HIS 80 HB2 HIS 80 -19.684 -24.636 16.545 1240 HB3 HIS 80 HB1 HIS 80 -21.244 -25.235 17.102
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