NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
622384 | 5xqm | 36096 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 9.666 -15.697 -3.807 2 HA MET 1 HA MET 1 7.500 -15.229 -1.862 3 HB2 MET 1 HB2 MET 1 9.501 -13.336 -3.107 4 HB3 MET 1 HB3 MET 1 8.018 -12.797 -2.336 5 HG2 MET 1 HG2 MET 1 8.748 -13.732 -0.224 6 HG3 MET 1 HG3 MET 1 10.205 -14.363 -0.988 7 HE1 MET 1 HE1 MET 1 8.313 -11.241 0.354 8 HE2 MET 1 HE2 MET 1 8.351 -10.869 -1.370 9 HE3 MET 1 HE3 MET 1 9.294 -9.900 -0.238 10 H ALA 2 H ALA 2 5.717 -14.096 -2.719 11 HA ALA 2 HA ALA 2 5.026 -14.872 -5.368 12 HB1 ALA 2 HB1 ALA 2 3.622 -12.964 -3.495 13 HB2 ALA 2 HB2 ALA 2 3.358 -14.706 -3.579 14 HB3 ALA 2 HB3 ALA 2 2.933 -13.683 -4.951 15 H ASP 3 H ASP 3 4.621 -13.539 -7.167 16 HA ASP 3 HA ASP 3 6.510 -11.511 -7.641 17 HB2 ASP 3 HB2 ASP 3 3.955 -12.163 -9.128 18 HB3 ASP 3 HB3 ASP 3 5.167 -11.025 -9.703 19 H ASP 4 H ASP 4 6.366 -9.298 -7.696 20 HA ASP 4 HA ASP 4 4.806 -8.119 -5.667 21 HB2 ASP 4 HB2 ASP 4 6.324 -6.812 -7.928 22 HB3 ASP 4 HB3 ASP 4 5.666 -5.962 -6.536 23 H ALA 5 H ALA 5 4.488 -8.133 -9.165 24 HA ALA 5 HA ALA 5 2.782 -7.699 -10.577 25 HB1 ALA 5 HB1 ALA 5 1.030 -7.960 -8.134 26 HB2 ALA 5 HB2 ALA 5 1.552 -9.285 -9.174 27 HB3 ALA 5 HB3 ALA 5 0.493 -8.028 -9.812 28 H ALA 6 H ALA 6 3.954 -5.513 -8.633 29 HA ALA 6 HA ALA 6 3.953 -3.267 -8.559 30 HB1 ALA 6 HB1 ALA 6 1.891 -3.365 -10.754 31 HB2 ALA 6 HB2 ALA 6 3.637 -3.417 -10.996 32 HB3 ALA 6 HB3 ALA 6 2.886 -1.981 -10.300 33 H GLN 7 H GLN 7 3.159 -2.031 -6.999 34 HA GLN 7 HA GLN 7 0.681 -2.655 -5.766 35 HB2 GLN 7 HB2 GLN 7 1.162 -0.923 -4.199 36 HB3 GLN 7 HB3 GLN 7 2.687 -1.702 -4.587 37 HG2 GLN 7 HG2 GLN 7 1.920 0.737 -6.109 38 HG3 GLN 7 HG3 GLN 7 2.459 0.922 -4.444 39 HE21 GLN 7 HE21 GLN 7 4.303 2.009 -5.032 40 HE22 GLN 7 HE22 GLN 7 5.648 1.226 -5.787 41 H ALA 8 H ALA 8 -0.986 -0.940 -5.328 42 HA ALA 8 HA ALA 8 -2.183 -0.218 -7.756 43 HB1 ALA 8 HB1 ALA 8 -3.901 0.802 -6.418 44 HB2 ALA 8 HB2 ALA 8 -2.838 0.832 -5.014 45 HB3 ALA 8 HB3 ALA 8 -3.398 -0.711 -5.661 46 H GLY 9 H GLY 9 -0.361 1.672 -5.367 47 HA2 GLY 9 HA2 GLY 9 0.882 3.589 -5.836 48 HA3 GLY 9 HA3 GLY 9 0.060 3.727 -7.389 49 H ASP 10 H ASP 10 -2.292 3.070 -5.460 50 HA ASP 10 HA ASP 10 -3.202 5.803 -5.247 51 HB2 ASP 10 HB2 ASP 10 -4.709 4.044 -6.085 52 HB3 ASP 10 HB3 ASP 10 -4.557 3.183 -4.561 53 H ASN 11 H ASN 11 -1.742 6.560 -3.626 54 HA ASN 11 HA ASN 11 -2.617 6.168 -0.981 55 HB2 ASN 11 HB2 ASN 11 -0.473 5.352 -0.080 56 HB3 ASN 11 HB3 ASN 11 -1.192 4.175 -1.167 57 HD21 ASN 11 HD21 ASN 11 0.626 3.136 -1.721 58 HD22 ASN 11 HD22 ASN 11 1.944 3.842 -2.601 59 H ALA 12 H ALA 12 -0.929 7.337 0.417 60 HA ALA 12 HA ALA 12 0.660 9.346 -0.798 61 HB1 ALA 12 HB1 ALA 12 -0.609 11.310 -0.178 62 HB2 ALA 12 HB2 ALA 12 -1.879 10.304 0.520 63 HB3 ALA 12 HB3 ALA 12 -1.586 10.270 -1.220 64 H GLU 13 H GLU 13 -1.306 9.467 2.136 65 HA GLU 13 HA GLU 13 1.174 9.287 3.681 66 HB2 GLU 13 HB2 GLU 13 -1.469 10.481 4.490 67 HB3 GLU 13 HB3 GLU 13 -0.020 10.453 5.485 68 HG2 GLU 13 HG2 GLU 13 1.116 11.897 3.932 69 HG3 GLU 13 HG3 GLU 13 -0.271 11.867 2.847 70 H TYR 14 H TYR 14 -1.485 7.818 2.819 71 HA TYR 14 HA TYR 14 -1.272 5.772 4.882 72 HB2 TYR 14 HB2 TYR 14 -3.898 7.012 4.027 73 HB3 TYR 14 HB3 TYR 14 -3.727 5.594 5.057 74 HD1 TYR 14 HD1 TYR 14 -3.462 9.242 4.891 75 HD2 TYR 14 HD2 TYR 14 -2.934 5.816 7.353 76 HE1 TYR 14 HE1 TYR 14 -3.362 10.690 6.880 77 HE2 TYR 14 HE2 TYR 14 -2.833 7.251 9.342 78 HH TYR 14 HH TYR 14 -3.684 10.564 9.265 79 H ILE 15 H ILE 15 -2.363 3.772 4.278 80 HA ILE 15 HA ILE 15 -2.135 3.283 1.379 81 HB ILE 15 HB ILE 15 -1.209 1.139 1.877 82 HG12 ILE 15 HG12 ILE 15 -1.916 1.711 4.759 83 HG13 ILE 15 HG13 ILE 15 -2.686 0.547 3.676 84 HG21 ILE 15 HG21 ILE 15 -0.016 3.140 3.762 85 HG22 ILE 15 HG22 ILE 15 0.367 2.959 2.050 86 HG23 ILE 15 HG23 ILE 15 0.769 1.670 3.186 87 HD11 ILE 15 HD11 ILE 15 -0.701 -0.778 3.610 88 HD12 ILE 15 HD12 ILE 15 -1.169 -0.484 5.292 89 HD13 ILE 15 HD13 ILE 15 0.170 0.414 4.578 90 H LYS 16 H LYS 16 -3.401 1.386 0.693 91 HA LYS 16 HA LYS 16 -6.029 1.405 1.979 92 HB2 LYS 16 HB2 LYS 16 -5.031 1.218 -0.687 93 HB3 LYS 16 HB3 LYS 16 -6.105 -0.124 -0.359 94 HG2 LYS 16 HG2 LYS 16 -6.877 2.701 0.260 95 HG3 LYS 16 HG3 LYS 16 -7.110 1.999 -1.344 96 HD2 LYS 16 HD2 LYS 16 -8.270 0.986 1.254 97 HD3 LYS 16 HD3 LYS 16 -9.151 1.815 -0.029 98 HE2 LYS 16 HE2 LYS 16 -7.765 -0.859 -0.292 99 HE3 LYS 16 HE3 LYS 16 -9.491 -0.623 -0.096 100 HZ1 LYS 16 HZ1 LYS 16 -7.990 0.545 -2.367 101 HZ2 LYS 16 HZ2 LYS 16 -9.664 0.337 -2.222 102 HZ3 LYS 16 HZ3 LYS 16 -8.653 -1.006 -2.413 103 H ILE 17 H ILE 17 -6.977 -0.393 2.798 104 HA ILE 17 HA ILE 17 -5.699 -2.976 2.342 105 HB ILE 17 HB ILE 17 -6.328 -1.919 5.105 106 HG12 ILE 17 HG12 ILE 17 -3.749 -2.952 3.899 107 HG13 ILE 17 HG13 ILE 17 -4.145 -1.254 4.141 108 HG21 ILE 17 HG21 ILE 17 -5.566 -4.705 4.221 109 HG22 ILE 17 HG22 ILE 17 -7.083 -4.210 4.974 110 HG23 ILE 17 HG23 ILE 17 -5.578 -4.149 5.893 111 HD11 ILE 17 HD11 ILE 17 -2.691 -2.017 5.885 112 HD12 ILE 17 HD12 ILE 17 -3.792 -3.340 6.267 113 HD13 ILE 17 HD13 ILE 17 -4.285 -1.673 6.556 114 H LYS 18 H LYS 18 -7.057 -4.683 2.174 115 HA LYS 18 HA LYS 18 -9.917 -4.051 2.410 116 HB2 LYS 18 HB2 LYS 18 -8.954 -6.583 1.147 117 HB3 LYS 18 HB3 LYS 18 -10.370 -5.628 0.797 118 HG2 LYS 18 HG2 LYS 18 -8.774 -3.861 -0.200 119 HG3 LYS 18 HG3 LYS 18 -7.557 -5.128 -0.081 120 HD2 LYS 18 HD2 LYS 18 -10.161 -5.721 -1.411 121 HD3 LYS 18 HD3 LYS 18 -8.905 -4.847 -2.286 122 HE2 LYS 18 HE2 LYS 18 -8.446 -7.488 -0.914 123 HE3 LYS 18 HE3 LYS 18 -8.922 -7.339 -2.606 124 HZ1 LYS 18 HZ1 LYS 18 -6.926 -5.891 -2.888 125 HZ2 LYS 18 HZ2 LYS 18 -6.583 -7.515 -2.574 126 HZ3 LYS 18 HZ3 LYS 18 -6.415 -6.361 -1.348 127 H VAL 19 H VAL 19 -10.585 -4.541 4.394 128 HA VAL 19 HA VAL 19 -9.541 -6.757 5.899 129 HB VAL 19 HB VAL 19 -11.827 -4.843 6.426 130 HG11 VAL 19 HG11 VAL 19 -10.507 -6.769 8.320 131 HG12 VAL 19 HG12 VAL 19 -12.109 -6.962 7.608 132 HG13 VAL 19 HG13 VAL 19 -11.790 -5.623 8.711 133 HG21 VAL 19 HG21 VAL 19 -10.286 -3.797 8.026 134 HG22 VAL 19 HG22 VAL 19 -9.692 -3.706 6.367 135 HG23 VAL 19 HG23 VAL 19 -9.006 -4.884 7.487 136 H VAL 20 H VAL 20 -10.292 -8.791 5.621 137 HA VAL 20 HA VAL 20 -13.022 -9.106 4.571 138 HB VAL 20 HB VAL 20 -10.728 -11.080 4.471 139 HG11 VAL 20 HG11 VAL 20 -13.482 -11.201 3.245 140 HG12 VAL 20 HG12 VAL 20 -12.877 -12.199 4.567 141 HG13 VAL 20 HG13 VAL 20 -12.184 -12.359 2.953 142 HG21 VAL 20 HG21 VAL 20 -10.313 -9.188 2.998 143 HG22 VAL 20 HG22 VAL 20 -11.911 -9.377 2.277 144 HG23 VAL 20 HG23 VAL 20 -10.691 -10.630 2.055 145 H GLY 21 H GLY 21 -14.456 -9.721 6.007 146 HA2 GLY 21 HA2 GLY 21 -13.555 -10.931 8.509 147 HA3 GLY 21 HA3 GLY 21 -15.171 -10.343 8.179 148 H GLN 22 H GLN 22 -14.951 -12.687 9.463 149 HA GLN 22 HA GLN 22 -14.803 -14.939 7.739 150 HB2 GLN 22 HB2 GLN 22 -16.012 -14.644 10.487 151 HB3 GLN 22 HB3 GLN 22 -15.855 -16.176 9.645 152 HG2 GLN 22 HG2 GLN 22 -13.591 -14.367 10.448 153 HG3 GLN 22 HG3 GLN 22 -14.077 -15.842 11.283 154 HE21 GLN 22 HE21 GLN 22 -11.577 -15.012 9.908 155 HE22 GLN 22 HE22 GLN 22 -11.228 -16.282 8.789 156 H ASP 23 H ASP 23 -17.241 -12.765 8.600 157 HA ASP 23 HA ASP 23 -19.504 -14.219 7.684 158 HB2 ASP 23 HB2 ASP 23 -19.608 -12.204 9.158 159 HB3 ASP 23 HB3 ASP 23 -19.065 -11.218 7.809 160 H SER 24 H SER 24 -16.826 -13.406 6.047 161 HA SER 24 HA SER 24 -16.191 -13.227 3.893 162 HB2 SER 24 HB2 SER 24 -19.116 -13.710 3.246 163 HB3 SER 24 HB3 SER 24 -17.784 -13.782 2.091 164 HG SER 24 HG SER 24 -17.935 -15.397 4.418 165 H ASN 25 H ASN 25 -17.052 -11.094 5.555 166 HA ASN 25 HA ASN 25 -18.132 -9.112 3.682 167 HB2 ASN 25 HB2 ASN 25 -19.197 -9.276 5.874 168 HB3 ASN 25 HB3 ASN 25 -17.666 -8.906 6.662 169 HD21 ASN 25 HD21 ASN 25 -18.353 -7.052 7.632 170 HD22 ASN 25 HD22 ASN 25 -18.770 -5.615 6.770 171 H GLU 26 H GLU 26 -16.603 -8.272 2.491 172 HA GLU 26 HA GLU 26 -14.044 -7.542 3.700 173 HB2 GLU 26 HB2 GLU 26 -13.818 -8.791 1.653 174 HB3 GLU 26 HB3 GLU 26 -14.888 -7.682 0.801 175 HG2 GLU 26 HG2 GLU 26 -13.200 -5.898 1.151 176 HG3 GLU 26 HG3 GLU 26 -12.142 -7.095 1.895 177 H VAL 27 H VAL 27 -13.448 -5.522 4.024 178 HA VAL 27 HA VAL 27 -15.042 -3.355 2.867 179 HB VAL 27 HB VAL 27 -15.908 -3.698 5.137 180 HG11 VAL 27 HG11 VAL 27 -13.955 -4.738 6.130 181 HG12 VAL 27 HG12 VAL 27 -14.496 -3.359 7.090 182 HG13 VAL 27 HG13 VAL 27 -13.085 -3.206 6.041 183 HG21 VAL 27 HG21 VAL 27 -15.562 -1.432 6.017 184 HG22 VAL 27 HG22 VAL 27 -15.856 -1.427 4.277 185 HG23 VAL 27 HG23 VAL 27 -14.218 -1.211 4.895 186 H HIS 28 H HIS 28 -13.933 -1.552 2.354 187 HA HIS 28 HA HIS 28 -11.048 -1.927 2.335 188 HB2 HIS 28 HB2 HIS 28 -12.896 -0.213 0.712 189 HB3 HIS 28 HB3 HIS 28 -11.146 -0.053 0.628 190 HD2 HIS 28 HD2 HIS 28 -12.532 -3.658 0.843 191 HE1 HIS 28 HE1 HIS 28 -11.392 -2.964 -3.179 192 HE2 HIS 28 HE2 HIS 28 -12.139 -4.691 -1.492 193 H PHE 29 H PHE 29 -9.970 -1.035 3.850 194 HA PHE 29 HA PHE 29 -10.821 1.575 4.882 195 HB2 PHE 29 HB2 PHE 29 -9.465 -0.730 6.192 196 HB3 PHE 29 HB3 PHE 29 -9.223 0.885 6.825 197 HD1 PHE 29 HD1 PHE 29 -11.077 -1.985 7.223 198 HD2 PHE 29 HD2 PHE 29 -11.583 2.231 6.982 199 HE1 PHE 29 HE1 PHE 29 -13.188 -2.164 8.461 200 HE2 PHE 29 HE2 PHE 29 -13.696 2.054 8.220 201 HZ PHE 29 HZ PHE 29 -14.499 -0.147 8.965 202 H ARG 30 H ARG 30 -9.348 3.163 5.281 203 HA ARG 30 HA ARG 30 -6.786 2.916 3.872 204 HB2 ARG 30 HB2 ARG 30 -8.246 4.711 3.051 205 HB3 ARG 30 HB3 ARG 30 -8.378 5.361 4.676 206 HG2 ARG 30 HG2 ARG 30 -6.828 6.722 3.571 207 HG3 ARG 30 HG3 ARG 30 -5.885 5.685 4.621 208 HD2 ARG 30 HD2 ARG 30 -4.785 5.825 2.496 209 HD3 ARG 30 HD3 ARG 30 -5.448 4.203 2.690 210 HE ARG 30 HE ARG 30 -7.355 5.702 1.343 211 HH11 ARG 30 HH11 ARG 30 -4.051 4.657 0.752 212 HH12 ARG 30 HH12 ARG 30 -4.268 4.512 -0.962 213 HH21 ARG 30 HH21 ARG 30 -7.636 5.536 -0.910 214 HH22 ARG 30 HH22 ARG 30 -6.332 4.999 -1.921 215 H VAL 31 H VAL 31 -5.128 2.643 5.174 216 HA VAL 31 HA VAL 31 -5.035 3.943 7.805 217 HB VAL 31 HB VAL 31 -4.165 1.942 8.912 218 HG11 VAL 31 HG11 VAL 31 -6.863 1.485 7.648 219 HG12 VAL 31 HG12 VAL 31 -6.538 2.402 9.118 220 HG13 VAL 31 HG13 VAL 31 -6.251 0.662 9.083 221 HG21 VAL 31 HG21 VAL 31 -3.247 0.815 6.961 222 HG22 VAL 31 HG22 VAL 31 -4.881 0.485 6.380 223 HG23 VAL 31 HG23 VAL 31 -4.312 -0.245 7.883 224 H LYS 32 H LYS 32 -2.743 3.612 8.737 225 HA LYS 32 HA LYS 32 -0.944 4.422 6.596 226 HB2 LYS 32 HB2 LYS 32 -1.258 5.694 8.785 227 HB3 LYS 32 HB3 LYS 32 -0.398 4.379 9.557 228 HG2 LYS 32 HG2 LYS 32 1.557 4.818 8.173 229 HG3 LYS 32 HG3 LYS 32 0.702 6.140 7.378 230 HD2 LYS 32 HD2 LYS 32 0.454 7.247 9.578 231 HD3 LYS 32 HD3 LYS 32 1.413 5.950 10.295 232 HE2 LYS 32 HE2 LYS 32 2.819 7.865 9.891 233 HE3 LYS 32 HE3 LYS 32 3.287 6.550 8.815 234 HZ1 LYS 32 HZ1 LYS 32 3.190 8.742 7.715 235 HZ2 LYS 32 HZ2 LYS 32 1.536 8.816 8.024 236 HZ3 LYS 32 HZ3 LYS 32 2.152 7.615 7.008 237 H TYR 33 H TYR 33 1.231 3.523 6.479 238 HA TYR 33 HA TYR 33 1.484 0.762 6.493 239 HB2 TYR 33 HB2 TYR 33 3.621 2.871 6.867 240 HB3 TYR 33 HB3 TYR 33 3.975 1.174 6.583 241 HD1 TYR 33 HD1 TYR 33 3.042 4.341 5.089 242 HD2 TYR 33 HD2 TYR 33 3.447 0.168 4.372 243 HE1 TYR 33 HE1 TYR 33 3.042 4.763 2.664 244 HE2 TYR 33 HE2 TYR 33 3.446 0.575 1.948 245 HH TYR 33 HH TYR 33 2.613 2.319 0.382 246 H GLY 34 H GLY 34 2.164 3.092 9.056 247 HA2 GLY 34 HA2 GLY 34 3.016 0.927 10.842 248 HA3 GLY 34 HA3 GLY 34 3.336 2.637 11.086 249 H THR 35 H THR 35 0.149 1.648 10.109 250 HA THR 35 HA THR 35 -1.048 2.876 12.298 251 HB THR 35 HB THR 35 -1.918 1.348 9.946 252 HG1 THR 35 HG1 THR 35 -3.092 3.624 11.184 253 HG21 THR 35 HG21 THR 35 -4.252 1.142 10.751 254 HG22 THR 35 HG22 THR 35 -3.689 1.569 12.371 255 HG23 THR 35 HG23 THR 35 -3.122 0.087 11.602 256 H SER 36 H SER 36 -2.056 2.084 14.109 257 HA SER 36 HA SER 36 -1.041 -0.463 15.069 258 HB2 SER 36 HB2 SER 36 -2.462 1.803 16.475 259 HB3 SER 36 HB3 SER 36 -1.857 0.348 17.268 260 HG SER 36 HG SER 36 0.181 1.169 15.947 261 H MET 37 H MET 37 -2.409 -2.013 16.086 262 HA MET 37 HA MET 37 -4.529 -2.887 14.572 263 HB2 MET 37 HB2 MET 37 -5.058 -4.438 16.354 264 HB3 MET 37 HB3 MET 37 -3.317 -4.282 16.190 265 HG2 MET 37 HG2 MET 37 -3.281 -2.766 18.111 266 HG3 MET 37 HG3 MET 37 -5.023 -2.958 18.286 267 HE1 MET 37 HE1 MET 37 -2.946 -3.425 20.637 268 HE2 MET 37 HE2 MET 37 -3.564 -4.909 21.358 269 HE3 MET 37 HE3 MET 37 -4.684 -3.649 20.839 270 H ALA 38 H ALA 38 -4.688 -0.652 17.265 271 HA ALA 38 HA ALA 38 -7.426 -0.849 17.804 272 HB1 ALA 38 HB1 ALA 38 -5.847 0.231 19.324 273 HB2 ALA 38 HB2 ALA 38 -7.214 1.279 18.933 274 HB3 ALA 38 HB3 ALA 38 -5.650 1.548 18.166 275 H LYS 39 H LYS 39 -5.679 1.024 15.399 276 HA LYS 39 HA LYS 39 -7.682 2.890 14.765 277 HB2 LYS 39 HB2 LYS 39 -5.584 1.693 12.935 278 HB3 LYS 39 HB3 LYS 39 -6.517 3.137 12.613 279 HG2 LYS 39 HG2 LYS 39 -4.596 2.827 14.907 280 HG3 LYS 39 HG3 LYS 39 -4.239 3.631 13.379 281 HD2 LYS 39 HD2 LYS 39 -6.065 5.219 13.822 282 HD3 LYS 39 HD3 LYS 39 -6.347 4.429 15.376 283 HE2 LYS 39 HE2 LYS 39 -4.079 4.990 16.072 284 HE3 LYS 39 HE3 LYS 39 -3.791 5.777 14.523 285 HZ1 LYS 39 HZ1 LYS 39 -4.331 7.408 16.172 286 HZ2 LYS 39 HZ2 LYS 39 -5.752 6.599 16.587 287 HZ3 LYS 39 HZ3 LYS 39 -5.605 7.320 15.067 288 H LEU 40 H LEU 40 -7.073 -0.365 13.601 289 HA LEU 40 HA LEU 40 -9.223 -0.168 11.671 290 HB2 LEU 40 HB2 LEU 40 -8.603 -2.630 11.256 291 HB3 LEU 40 HB3 LEU 40 -7.512 -1.373 10.723 292 HG LEU 40 HG LEU 40 -7.009 -2.653 13.397 293 HD11 LEU 40 HD11 LEU 40 -7.422 -4.532 11.885 294 HD12 LEU 40 HD12 LEU 40 -5.713 -4.407 12.303 295 HD13 LEU 40 HD13 LEU 40 -6.278 -3.856 10.726 296 HD21 LEU 40 HD21 LEU 40 -4.689 -2.226 12.726 297 HD22 LEU 40 HD22 LEU 40 -5.652 -0.752 12.639 298 HD23 LEU 40 HD23 LEU 40 -5.246 -1.628 11.166 299 H LYS 41 H LYS 41 -8.503 -1.967 14.614 300 HA LYS 41 HA LYS 41 -10.812 -3.568 14.579 301 HB2 LYS 41 HB2 LYS 41 -9.033 -2.656 16.813 302 HB3 LYS 41 HB3 LYS 41 -10.312 -3.845 16.999 303 HG2 LYS 41 HG2 LYS 41 -9.236 -5.349 15.519 304 HG3 LYS 41 HG3 LYS 41 -8.039 -4.132 15.071 305 HD2 LYS 41 HD2 LYS 41 -7.032 -5.618 16.616 306 HD3 LYS 41 HD3 LYS 41 -7.322 -4.062 17.405 307 HE2 LYS 41 HE2 LYS 41 -9.297 -4.934 18.518 308 HE3 LYS 41 HE3 LYS 41 -9.156 -6.461 17.652 309 HZ1 LYS 41 HZ1 LYS 41 -8.347 -6.619 19.923 310 HZ2 LYS 41 HZ2 LYS 41 -7.197 -5.417 19.623 311 HZ3 LYS 41 HZ3 LYS 41 -7.105 -6.899 18.815 312 H LYS 42 H LYS 42 -10.108 -0.553 16.235 313 HA LYS 42 HA LYS 42 -12.617 -0.225 17.454 314 HB2 LYS 42 HB2 LYS 42 -10.702 1.209 17.999 315 HB3 LYS 42 HB3 LYS 42 -10.734 1.891 16.381 316 HG2 LYS 42 HG2 LYS 42 -13.033 2.760 16.888 317 HG3 LYS 42 HG3 LYS 42 -12.787 2.238 18.554 318 HD2 LYS 42 HD2 LYS 42 -10.983 4.160 17.080 319 HD3 LYS 42 HD3 LYS 42 -12.283 4.649 18.162 320 HE2 LYS 42 HE2 LYS 42 -9.933 2.932 18.959 321 HE3 LYS 42 HE3 LYS 42 -10.040 4.670 19.221 322 HZ1 LYS 42 HZ1 LYS 42 -10.655 3.465 21.195 323 HZ2 LYS 42 HZ2 LYS 42 -11.862 2.623 20.367 324 HZ3 LYS 42 HZ3 LYS 42 -11.998 4.292 20.594 325 H SER 43 H SER 43 -11.397 0.663 14.309 326 HA SER 43 HA SER 43 -13.641 2.172 13.483 327 HB2 SER 43 HB2 SER 43 -11.427 2.415 12.458 328 HB3 SER 43 HB3 SER 43 -11.520 0.776 11.830 329 HG SER 43 HG SER 43 -12.131 2.572 10.373 330 H TYR 44 H TYR 44 -12.662 -1.172 12.748 331 HA TYR 44 HA TYR 44 -14.937 -1.768 11.171 332 HB2 TYR 44 HB2 TYR 44 -12.782 -2.982 11.093 333 HB3 TYR 44 HB3 TYR 44 -13.159 -3.661 12.670 334 HD1 TYR 44 HD1 TYR 44 -13.856 -3.824 9.101 335 HD2 TYR 44 HD2 TYR 44 -14.973 -5.287 12.923 336 HE1 TYR 44 HE1 TYR 44 -15.071 -5.660 8.023 337 HE2 TYR 44 HE2 TYR 44 -16.194 -7.141 11.867 338 HH TYR 44 HH TYR 44 -17.150 -7.794 9.830 339 H ALA 45 H ALA 45 -14.121 -2.441 14.527 340 HA ALA 45 HA ALA 45 -16.383 -3.949 15.130 341 HB1 ALA 45 HB1 ALA 45 -14.840 -2.112 16.950 342 HB2 ALA 45 HB2 ALA 45 -14.458 -3.801 16.617 343 HB3 ALA 45 HB3 ALA 45 -15.947 -3.383 17.468 344 H ASP 46 H ASP 46 -15.825 -0.550 14.949 345 HA ASP 46 HA ASP 46 -18.211 0.289 16.268 346 HB2 ASP 46 HB2 ASP 46 -16.248 1.756 15.987 347 HB3 ASP 46 HB3 ASP 46 -16.558 1.807 14.254 348 H ARG 47 H ARG 47 -17.349 -0.078 12.846 349 HA ARG 47 HA ARG 47 -19.833 0.830 11.827 350 HB2 ARG 47 HB2 ARG 47 -19.122 -0.037 9.682 351 HB3 ARG 47 HB3 ARG 47 -17.743 0.701 10.492 352 HG2 ARG 47 HG2 ARG 47 -16.899 -1.456 11.125 353 HG3 ARG 47 HG3 ARG 47 -18.306 -2.245 10.421 354 HD2 ARG 47 HD2 ARG 47 -16.461 -0.509 8.810 355 HD3 ARG 47 HD3 ARG 47 -16.172 -2.233 9.044 356 HE ARG 47 HE ARG 47 -18.240 -2.673 7.900 357 HH11 ARG 47 HH11 ARG 47 -17.088 0.653 7.630 358 HH12 ARG 47 HH12 ARG 47 -17.928 0.943 6.150 359 HH21 ARG 47 HH21 ARG 47 -19.344 -2.258 5.932 360 HH22 ARG 47 HH22 ARG 47 -19.220 -0.701 5.191 361 H THR 48 H THR 48 -18.825 -2.200 13.119 362 HA THR 48 HA THR 48 -21.171 -3.506 11.989 363 HB THR 48 HB THR 48 -19.019 -4.668 11.716 364 HG1 THR 48 HG1 THR 48 -21.027 -5.893 13.312 365 HG21 THR 48 HG21 THR 48 -17.976 -5.755 13.689 366 HG22 THR 48 HG22 THR 48 -19.045 -4.809 14.729 367 HG23 THR 48 HG23 THR 48 -17.856 -3.996 13.708 368 H GLY 49 H GLY 49 -20.379 -1.830 14.755 369 HA2 GLY 49 HA2 GLY 49 -21.581 -1.501 16.696 370 HA3 GLY 49 HA3 GLY 49 -22.816 -2.562 16.037 371 H VAL 50 H VAL 50 -19.492 -3.503 16.502 372 HA VAL 50 HA VAL 50 -20.366 -5.371 18.598 373 HB VAL 50 HB VAL 50 -18.333 -5.841 16.401 374 HG11 VAL 50 HG11 VAL 50 -18.104 -8.112 17.348 375 HG12 VAL 50 HG12 VAL 50 -19.072 -7.608 18.733 376 HG13 VAL 50 HG13 VAL 50 -17.503 -6.856 18.427 377 HG21 VAL 50 HG21 VAL 50 -20.952 -7.211 17.004 378 HG22 VAL 50 HG22 VAL 50 -19.841 -7.628 15.700 379 HG23 VAL 50 HG23 VAL 50 -20.664 -6.069 15.693 380 H ALA 51 H ALA 51 -18.932 -5.805 20.270 381 HA ALA 51 HA ALA 51 -17.354 -3.823 21.333 382 HB1 ALA 51 HB1 ALA 51 -17.113 -6.819 21.649 383 HB2 ALA 51 HB2 ALA 51 -18.109 -5.736 22.623 384 HB3 ALA 51 HB3 ALA 51 -16.348 -5.630 22.707 385 H VAL 52 H VAL 52 -15.311 -3.162 21.071 386 HA VAL 52 HA VAL 52 -13.903 -3.723 18.714 387 HB VAL 52 HB VAL 52 -12.981 -2.373 21.260 388 HG11 VAL 52 HG11 VAL 52 -11.137 -1.443 19.937 389 HG12 VAL 52 HG12 VAL 52 -11.625 -2.438 18.566 390 HG13 VAL 52 HG13 VAL 52 -11.042 -3.201 20.045 391 HG21 VAL 52 HG21 VAL 52 -13.275 -0.311 19.919 392 HG22 VAL 52 HG22 VAL 52 -14.778 -1.187 20.200 393 HG23 VAL 52 HG23 VAL 52 -13.979 -1.289 18.633 394 H ASN 53 H ASN 53 -13.443 -4.809 22.045 395 HA ASN 53 HA ASN 53 -11.057 -6.267 21.452 396 HB2 ASN 53 HB2 ASN 53 -11.181 -7.134 23.684 397 HB3 ASN 53 HB3 ASN 53 -11.649 -5.440 23.736 398 HD21 ASN 53 HD21 ASN 53 -12.198 -7.629 25.573 399 HD22 ASN 53 HD22 ASN 53 -13.919 -7.719 25.720 400 H SER 54 H SER 54 -14.339 -6.858 20.943 401 HA SER 54 HA SER 54 -14.137 -9.731 20.953 402 HB2 SER 54 HB2 SER 54 -16.323 -7.881 20.006 403 HB3 SER 54 HB3 SER 54 -16.441 -9.640 19.999 404 HG SER 54 HG SER 54 -15.687 -8.377 22.377 405 H LEU 55 H LEU 55 -13.354 -7.246 18.833 406 HA LEU 55 HA LEU 55 -13.495 -8.967 16.487 407 HB2 LEU 55 HB2 LEU 55 -13.145 -6.085 16.961 408 HB3 LEU 55 HB3 LEU 55 -12.197 -6.737 15.642 409 HG LEU 55 HG LEU 55 -14.216 -5.851 14.758 410 HD11 LEU 55 HD11 LEU 55 -14.422 -8.854 14.814 411 HD12 LEU 55 HD12 LEU 55 -13.400 -7.907 13.737 412 HD13 LEU 55 HD13 LEU 55 -15.154 -7.775 13.629 413 HD21 LEU 55 HD21 LEU 55 -15.581 -5.872 16.757 414 HD22 LEU 55 HD22 LEU 55 -15.665 -7.632 16.702 415 HD23 LEU 55 HD23 LEU 55 -16.424 -6.672 15.431 416 H ARG 56 H ARG 56 -11.796 -9.876 15.536 417 HA ARG 56 HA ARG 56 -9.163 -9.447 16.775 418 HB2 ARG 56 HB2 ARG 56 -10.558 -12.051 16.182 419 HB3 ARG 56 HB3 ARG 56 -8.808 -11.968 16.268 420 HG2 ARG 56 HG2 ARG 56 -9.518 -12.698 18.395 421 HG3 ARG 56 HG3 ARG 56 -9.095 -10.999 18.598 422 HD2 ARG 56 HD2 ARG 56 -11.144 -11.389 19.773 423 HD3 ARG 56 HD3 ARG 56 -11.524 -10.444 18.338 424 HE ARG 56 HE ARG 56 -12.566 -12.329 17.390 425 HH11 ARG 56 HH11 ARG 56 -11.469 -12.905 20.673 426 HH12 ARG 56 HH12 ARG 56 -12.385 -14.357 20.858 427 HH21 ARG 56 HH21 ARG 56 -13.809 -14.258 17.654 428 HH22 ARG 56 HH22 ARG 56 -13.710 -15.127 19.146 429 H PHE 57 H PHE 57 -7.853 -8.644 15.297 430 HA PHE 57 HA PHE 57 -8.304 -9.354 12.486 431 HB2 PHE 57 HB2 PHE 57 -7.050 -6.964 13.797 432 HB3 PHE 57 HB3 PHE 57 -6.826 -7.330 12.091 433 HD1 PHE 57 HD1 PHE 57 -9.618 -7.014 14.551 434 HD2 PHE 57 HD2 PHE 57 -8.201 -6.336 10.612 435 HE1 PHE 57 HE1 PHE 57 -11.705 -5.832 14.001 436 HE2 PHE 57 HE2 PHE 57 -10.279 -5.167 10.056 437 HZ PHE 57 HZ PHE 57 -12.032 -4.918 11.748 438 H LEU 58 H LEU 58 -6.848 -10.393 11.346 439 HA LEU 58 HA LEU 58 -4.140 -10.655 12.421 440 HB2 LEU 58 HB2 LEU 58 -5.999 -12.826 11.544 441 HB3 LEU 58 HB3 LEU 58 -4.284 -13.020 11.261 442 HG LEU 58 HG LEU 58 -4.069 -12.511 13.794 443 HD11 LEU 58 HD11 LEU 58 -6.400 -11.851 14.109 444 HD12 LEU 58 HD12 LEU 58 -5.880 -13.156 15.176 445 HD13 LEU 58 HD13 LEU 58 -6.874 -13.517 13.767 446 HD21 LEU 58 HD21 LEU 58 -5.176 -15.141 12.869 447 HD22 LEU 58 HD22 LEU 58 -4.222 -14.849 14.325 448 HD23 LEU 58 HD23 LEU 58 -3.498 -14.617 12.734 449 H PHE 59 H PHE 59 -2.535 -10.581 10.985 450 HA PHE 59 HA PHE 59 -3.300 -10.097 8.190 451 HB2 PHE 59 HB2 PHE 59 -2.251 -8.140 9.226 452 HB3 PHE 59 HB3 PHE 59 -0.882 -9.124 9.728 453 HD1 PHE 59 HD1 PHE 59 -2.708 -8.024 6.696 454 HD2 PHE 59 HD2 PHE 59 0.975 -9.324 8.362 455 HE1 PHE 59 HE1 PHE 59 -1.584 -7.568 4.554 456 HE2 PHE 59 HE2 PHE 59 2.107 -8.882 6.227 457 HZ PHE 59 HZ PHE 59 0.828 -8.000 4.319 458 H ASP 60 H ASP 60 -2.731 -11.612 6.831 459 HA ASP 60 HA ASP 60 -1.800 -13.499 5.932 460 HB2 ASP 60 HB2 ASP 60 0.108 -11.841 5.896 461 HB3 ASP 60 HB3 ASP 60 0.725 -12.626 7.341 462 H GLY 61 H GLY 61 -2.840 -13.592 8.768 463 HA2 GLY 61 HA2 GLY 61 -3.373 -15.603 9.905 464 HA3 GLY 61 HA3 GLY 61 -1.885 -16.311 9.289 465 H ARG 62 H ARG 62 -1.269 -13.225 10.452 466 HA ARG 62 HA ARG 62 -0.751 -14.231 13.174 467 HB2 ARG 62 HB2 ARG 62 1.318 -12.891 13.212 468 HB3 ARG 62 HB3 ARG 62 1.340 -14.121 11.956 469 HG2 ARG 62 HG2 ARG 62 2.279 -12.328 10.882 470 HG3 ARG 62 HG3 ARG 62 0.589 -12.204 10.399 471 HD2 ARG 62 HD2 ARG 62 0.745 -10.075 11.071 472 HD3 ARG 62 HD3 ARG 62 0.644 -10.731 12.703 473 HE ARG 62 HE ARG 62 3.307 -10.545 11.548 474 HH11 ARG 62 HH11 ARG 62 0.900 -9.174 13.690 475 HH12 ARG 62 HH12 ARG 62 1.992 -8.065 14.442 476 HH21 ARG 62 HH21 ARG 62 4.792 -9.076 12.569 477 HH22 ARG 62 HH22 ARG 62 4.206 -8.018 13.815 478 H ARG 63 H ARG 63 -1.082 -12.895 14.798 479 HA ARG 63 HA ARG 63 -3.206 -11.079 14.357 480 HB2 ARG 63 HB2 ARG 63 -3.168 -10.798 16.786 481 HB3 ARG 63 HB3 ARG 63 -3.190 -12.481 16.284 482 HG2 ARG 63 HG2 ARG 63 -0.628 -12.356 16.570 483 HG3 ARG 63 HG3 ARG 63 -0.978 -10.912 17.527 484 HD2 ARG 63 HD2 ARG 63 -2.578 -12.264 18.859 485 HD3 ARG 63 HD3 ARG 63 -2.046 -13.670 17.925 486 HE ARG 63 HE ARG 63 0.229 -12.526 19.021 487 HH11 ARG 63 HH11 ARG 63 -2.714 -14.050 20.185 488 HH12 ARG 63 HH12 ARG 63 -1.976 -14.677 21.612 489 HH21 ARG 63 HH21 ARG 63 1.211 -13.386 20.916 490 HH22 ARG 63 HH22 ARG 63 0.261 -14.307 22.030 491 H ILE 64 H ILE 64 -3.414 -9.022 14.479 492 HA ILE 64 HA ILE 64 -1.021 -7.422 14.030 493 HB ILE 64 HB ILE 64 -3.971 -6.718 13.875 494 HG12 ILE 64 HG12 ILE 64 -2.007 -7.210 11.628 495 HG13 ILE 64 HG13 ILE 64 -3.145 -8.414 12.221 496 HG21 ILE 64 HG21 ILE 64 -3.270 -4.702 12.690 497 HG22 ILE 64 HG22 ILE 64 -1.579 -5.136 12.930 498 HG23 ILE 64 HG23 ILE 64 -2.597 -4.746 14.318 499 HD11 ILE 64 HD11 ILE 64 -3.814 -5.788 10.912 500 HD12 ILE 64 HD12 ILE 64 -4.993 -6.897 11.604 501 HD13 ILE 64 HD13 ILE 64 -4.017 -7.403 10.228 502 H ASN 65 H ASN 65 -0.076 -6.338 15.592 503 HA ASN 65 HA ASN 65 -1.599 -5.718 18.034 504 HB2 ASN 65 HB2 ASN 65 1.397 -5.926 17.628 505 HB3 ASN 65 HB3 ASN 65 0.592 -5.562 19.149 506 HD21 ASN 65 HD21 ASN 65 1.461 -7.965 16.883 507 HD22 ASN 65 HD22 ASN 65 0.965 -9.344 17.810 508 H ASP 66 H ASP 66 -0.958 -3.677 19.101 509 HA ASP 66 HA ASP 66 -0.844 -1.538 17.168 510 HB2 ASP 66 HB2 ASP 66 -1.112 -0.066 19.110 511 HB3 ASP 66 HB3 ASP 66 -2.305 -1.358 19.146 512 H ASP 67 H ASP 67 1.361 -3.442 18.715 513 HA ASP 67 HA ASP 67 3.422 -1.397 18.944 514 HB2 ASP 67 HB2 ASP 67 3.238 -3.021 20.758 515 HB3 ASP 67 HB3 ASP 67 3.473 -4.343 19.620 516 H ASP 68 H ASP 68 2.310 -3.759 16.705 517 HA ASP 68 HA ASP 68 4.765 -4.485 15.540 518 HB2 ASP 68 HB2 ASP 68 1.962 -4.491 14.453 519 HB3 ASP 68 HB3 ASP 68 3.342 -5.031 13.507 520 H THR 69 H THR 69 5.940 -3.693 13.926 521 HA THR 69 HA THR 69 5.542 -0.890 13.289 522 HB THR 69 HB THR 69 7.840 -1.029 12.392 523 HG1 THR 69 HG1 THR 69 8.809 -3.262 13.101 524 HG21 THR 69 HG21 THR 69 7.558 -2.297 15.123 525 HG22 THR 69 HG22 THR 69 7.532 -0.567 14.784 526 HG23 THR 69 HG23 THR 69 9.003 -1.498 14.501 527 HA PRO 70 HA PRO 70 4.274 -1.500 9.068 528 HB2 PRO 70 HB2 PRO 70 6.108 0.084 7.711 529 HB3 PRO 70 HB3 PRO 70 4.635 0.683 8.481 530 HG2 PRO 70 HG2 PRO 70 7.441 0.663 9.520 531 HG3 PRO 70 HG3 PRO 70 6.212 1.937 9.634 532 HD2 PRO 70 HD2 PRO 70 6.748 0.370 11.711 533 HD3 PRO 70 HD3 PRO 70 5.080 0.854 11.348 534 H LYS 71 H LYS 71 7.637 -1.932 9.937 535 HA LYS 71 HA LYS 71 8.628 -3.219 7.607 536 HB2 LYS 71 HB2 LYS 71 9.395 -3.419 10.512 537 HB3 LYS 71 HB3 LYS 71 10.204 -4.354 9.276 538 HG2 LYS 71 HG2 LYS 71 11.448 -2.425 9.922 539 HG3 LYS 71 HG3 LYS 71 10.971 -2.323 8.224 540 HD2 LYS 71 HD2 LYS 71 9.168 -1.128 10.215 541 HD3 LYS 71 HD3 LYS 71 10.707 -0.282 9.958 542 HE2 LYS 71 HE2 LYS 71 8.565 -0.926 7.930 543 HE3 LYS 71 HE3 LYS 71 9.071 0.672 8.472 544 HZ1 LYS 71 HZ1 LYS 71 10.054 0.334 6.380 545 HZ2 LYS 71 HZ2 LYS 71 10.564 -1.222 6.756 546 HZ3 LYS 71 HZ3 LYS 71 11.313 0.102 7.485 547 H THR 72 H THR 72 7.255 -4.331 10.564 548 HA THR 72 HA THR 72 7.471 -7.069 9.716 549 HB THR 72 HB THR 72 7.959 -6.329 12.036 550 HG1 THR 72 HG1 THR 72 7.279 -8.569 11.337 551 HG21 THR 72 HG21 THR 72 6.074 -4.824 12.380 552 HG22 THR 72 HG22 THR 72 6.069 -6.096 13.602 553 HG23 THR 72 HG23 THR 72 4.947 -6.173 12.242 554 H LEU 73 H LEU 73 4.958 -4.657 9.865 555 HA LEU 73 HA LEU 73 2.886 -6.624 9.413 556 HB2 LEU 73 HB2 LEU 73 2.795 -3.615 9.261 557 HB3 LEU 73 HB3 LEU 73 1.412 -4.677 9.063 558 HG LEU 73 HG LEU 73 3.058 -4.447 11.577 559 HD11 LEU 73 HD11 LEU 73 0.337 -3.331 10.914 560 HD12 LEU 73 HD12 LEU 73 1.817 -2.399 11.139 561 HD13 LEU 73 HD13 LEU 73 1.114 -3.280 12.496 562 HD21 LEU 73 HD21 LEU 73 0.478 -5.903 10.989 563 HD22 LEU 73 HD22 LEU 73 1.213 -5.730 12.581 564 HD23 LEU 73 HD23 LEU 73 2.044 -6.643 11.324 565 H GLU 74 H GLU 74 5.051 -4.744 7.541 566 HA GLU 74 HA GLU 74 5.259 -4.243 5.325 567 HB2 GLU 74 HB2 GLU 74 5.505 -6.244 3.932 568 HB3 GLU 74 HB3 GLU 74 6.273 -6.425 5.499 569 HG2 GLU 74 HG2 GLU 74 4.398 -7.778 6.266 570 HG3 GLU 74 HG3 GLU 74 3.611 -7.578 4.700 571 H MET 75 H MET 75 2.578 -3.683 6.116 572 HA MET 75 HA MET 75 0.797 -4.641 4.106 573 HB2 MET 75 HB2 MET 75 0.544 -2.311 6.016 574 HB3 MET 75 HB3 MET 75 -0.754 -2.949 5.008 575 HG2 MET 75 HG2 MET 75 -0.649 -5.068 6.167 576 HG3 MET 75 HG3 MET 75 0.708 -4.502 7.127 577 HE1 MET 75 HE1 MET 75 -0.581 -5.254 9.324 578 HE2 MET 75 HE2 MET 75 -1.967 -5.779 8.369 579 HE3 MET 75 HE3 MET 75 -2.202 -4.704 9.747 580 H GLU 76 H GLU 76 -0.132 -3.404 2.392 581 HA GLU 76 HA GLU 76 1.113 -0.933 1.667 582 HB2 GLU 76 HB2 GLU 76 1.901 -1.715 -0.527 583 HB3 GLU 76 HB3 GLU 76 2.764 -2.485 0.793 584 HG2 GLU 76 HG2 GLU 76 1.403 -4.488 0.513 585 HG3 GLU 76 HG3 GLU 76 0.538 -3.705 -0.810 586 H ASP 77 H ASP 77 0.328 -0.677 -0.856 587 HA ASP 77 HA ASP 77 -2.255 0.159 -0.693 588 HB2 ASP 77 HB2 ASP 77 -0.743 -0.744 -3.133 589 HB3 ASP 77 HB3 ASP 77 -2.277 0.115 -3.175 590 H ASP 78 H ASP 78 -3.977 -0.896 -0.295 591 HA ASP 78 HA ASP 78 -5.783 -2.224 -0.461 592 HB2 ASP 78 HB2 ASP 78 -5.529 -1.511 -2.884 593 HB3 ASP 78 HB3 ASP 78 -4.766 -3.074 -3.164 594 H ASP 79 H ASP 79 -3.432 -3.264 0.812 595 HA ASP 79 HA ASP 79 -3.115 -6.000 0.069 596 HB2 ASP 79 HB2 ASP 79 -1.646 -4.417 1.664 597 HB3 ASP 79 HB3 ASP 79 -2.619 -5.238 2.886 598 H VAL 80 H VAL 80 -3.514 -7.609 2.101 599 HA VAL 80 HA VAL 80 -6.415 -7.361 2.470 600 HB VAL 80 HB VAL 80 -6.513 -9.841 2.394 601 HG11 VAL 80 HG11 VAL 80 -7.024 -8.546 0.407 602 HG12 VAL 80 HG12 VAL 80 -6.158 -10.013 -0.053 603 HG13 VAL 80 HG13 VAL 80 -5.313 -8.463 -0.007 604 HG21 VAL 80 HG21 VAL 80 -4.245 -10.373 3.044 605 HG22 VAL 80 HG22 VAL 80 -3.613 -9.553 1.618 606 HG23 VAL 80 HG23 VAL 80 -4.554 -11.037 1.436 607 H ILE 81 H ILE 81 -7.320 -8.130 4.322 608 HA ILE 81 HA ILE 81 -5.559 -8.799 6.541 609 HB ILE 81 HB ILE 81 -7.398 -6.489 6.327 610 HG12 ILE 81 HG12 ILE 81 -4.930 -7.065 7.969 611 HG13 ILE 81 HG13 ILE 81 -5.011 -6.143 6.473 612 HG21 ILE 81 HG21 ILE 81 -7.233 -8.011 8.917 613 HG22 ILE 81 HG22 ILE 81 -8.661 -7.795 7.894 614 HG23 ILE 81 HG23 ILE 81 -7.931 -6.403 8.686 615 HD11 ILE 81 HD11 ILE 81 -6.417 -4.467 7.643 616 HD12 ILE 81 HD12 ILE 81 -4.804 -4.641 8.333 617 HD13 ILE 81 HD13 ILE 81 -6.190 -5.378 9.135 618 H GLU 82 H GLU 82 -6.332 -10.286 7.932 619 HA GLU 82 HA GLU 82 -8.825 -11.597 7.108 620 HB2 GLU 82 HB2 GLU 82 -6.467 -12.636 8.666 621 HB3 GLU 82 HB3 GLU 82 -7.884 -13.570 8.234 622 HG2 GLU 82 HG2 GLU 82 -6.037 -12.311 6.222 623 HG3 GLU 82 HG3 GLU 82 -5.902 -13.986 6.774 624 H VAL 83 H VAL 83 -10.419 -11.739 8.527 625 HA VAL 83 HA VAL 83 -9.891 -10.909 11.294 626 HB VAL 83 HB VAL 83 -12.352 -10.275 9.656 627 HG11 VAL 83 HG11 VAL 83 -12.939 -10.730 11.978 628 HG12 VAL 83 HG12 VAL 83 -13.115 -9.014 11.608 629 HG13 VAL 83 HG13 VAL 83 -11.715 -9.581 12.518 630 HG21 VAL 83 HG21 VAL 83 -11.686 -7.972 9.907 631 HG22 VAL 83 HG22 VAL 83 -10.419 -8.906 9.106 632 HG23 VAL 83 HG23 VAL 83 -10.258 -8.471 10.811 633 H TYR 84 H TYR 84 -10.723 -12.154 12.837 634 HA TYR 84 HA TYR 84 -12.090 -14.556 11.946 635 HB2 TYR 84 HB2 TYR 84 -10.563 -13.866 14.442 636 HB3 TYR 84 HB3 TYR 84 -11.570 -15.306 14.332 637 HD1 TYR 84 HD1 TYR 84 -8.553 -13.640 12.961 638 HD2 TYR 84 HD2 TYR 84 -10.883 -17.204 13.068 639 HE1 TYR 84 HE1 TYR 84 -6.746 -14.857 11.846 640 HE2 TYR 84 HE2 TYR 84 -9.068 -18.423 11.961 641 HH TYR 84 HH TYR 84 -5.958 -17.264 11.720 642 H GLN 85 H GLN 85 -13.788 -15.384 13.545 643 HA GLN 85 HA GLN 85 -15.826 -13.438 13.315 644 HB2 GLN 85 HB2 GLN 85 -16.163 -15.892 13.045 645 HB3 GLN 85 HB3 GLN 85 -15.932 -16.078 14.778 646 HG2 GLN 85 HG2 GLN 85 -18.280 -16.099 14.240 647 HG3 GLN 85 HG3 GLN 85 -17.886 -14.659 15.180 648 HE21 GLN 85 HE21 GLN 85 -19.661 -13.543 14.431 649 HE22 GLN 85 HE22 GLN 85 -19.768 -12.919 12.824 650 H GLU 86 H GLU 86 -16.589 -12.051 14.680 651 HA GLU 86 HA GLU 86 -15.177 -11.427 17.009 652 HB2 GLU 86 HB2 GLU 86 -16.904 -9.704 17.334 653 HB3 GLU 86 HB3 GLU 86 -16.200 -9.697 15.726 654 HG2 GLU 86 HG2 GLU 86 -18.687 -11.235 16.151 655 HG3 GLU 86 HG3 GLU 86 -18.804 -9.481 16.132 656 H GLN 87 H GLN 87 -15.912 -11.261 19.136 657 HA GLN 87 HA GLN 87 -16.832 -13.738 20.129 658 HB2 GLN 87 HB2 GLN 87 -15.263 -12.256 21.314 659 HB3 GLN 87 HB3 GLN 87 -16.545 -11.075 21.531 660 HG2 GLN 87 HG2 GLN 87 -16.259 -12.246 23.560 661 HG3 GLN 87 HG3 GLN 87 -17.790 -12.753 22.846 662 HE21 GLN 87 HE21 GLN 87 -17.861 -14.731 23.870 663 HE22 GLN 87 HE22 GLN 87 -16.771 -16.021 23.504 664 H LEU 88 H LEU 88 -18.315 -10.518 20.169 665 HA LEU 88 HA LEU 88 -20.757 -11.461 21.255 666 HB2 LEU 88 HB2 LEU 88 -19.964 -8.823 20.080 667 HB3 LEU 88 HB3 LEU 88 -21.584 -9.138 20.688 668 HG LEU 88 HG LEU 88 -19.039 -9.289 22.300 669 HD11 LEU 88 HD11 LEU 88 -21.218 -7.218 22.278 670 HD12 LEU 88 HD12 LEU 88 -19.590 -7.016 21.630 671 HD13 LEU 88 HD13 LEU 88 -19.827 -7.256 23.362 672 HD21 LEU 88 HD21 LEU 88 -20.564 -9.425 24.225 673 HD22 LEU 88 HD22 LEU 88 -20.724 -10.811 23.151 674 HD23 LEU 88 HD23 LEU 88 -21.933 -9.527 23.119 675 H GLY 89 H GLY 89 -19.650 -10.878 17.996 676 HA2 GLY 89 HA2 GLY 89 -22.176 -10.884 16.743 677 HA3 GLY 89 HA3 GLY 89 -20.661 -11.316 15.965 678 H GLY 90 H GLY 90 -19.948 -13.520 17.501 679 HA2 GLY 90 HA2 GLY 90 -20.581 -15.694 18.098 680 HA3 GLY 90 HA3 GLY 90 -22.196 -15.372 17.482 Start of MODEL 2 1 H MET 1 H MET 1 7.524 -10.603 -9.684 2 HA MET 1 HA MET 1 6.286 -8.270 -10.983 3 HB2 MET 1 HB2 MET 1 4.886 -10.249 -11.208 4 HB3 MET 1 HB3 MET 1 5.063 -10.599 -9.494 5 HG2 MET 1 HG2 MET 1 2.903 -9.618 -9.951 6 HG3 MET 1 HG3 MET 1 3.871 -8.545 -8.944 7 HE1 MET 1 HE1 MET 1 2.850 -7.884 -13.389 8 HE2 MET 1 HE2 MET 1 2.131 -9.120 -12.358 9 HE3 MET 1 HE3 MET 1 3.820 -9.251 -12.842 10 H ALA 2 H ALA 2 6.647 -6.535 -9.778 11 HA ALA 2 HA ALA 2 6.182 -6.694 -6.912 12 HB1 ALA 2 HB1 ALA 2 8.783 -5.650 -8.036 13 HB2 ALA 2 HB2 ALA 2 8.579 -7.134 -7.105 14 HB3 ALA 2 HB3 ALA 2 8.282 -5.571 -6.348 15 H ASP 3 H ASP 3 5.675 -4.703 -5.981 16 HA ASP 3 HA ASP 3 4.699 -2.719 -7.845 17 HB2 ASP 3 HB2 ASP 3 3.310 -3.320 -5.915 18 HB3 ASP 3 HB3 ASP 3 4.586 -2.803 -4.818 19 H ASP 4 H ASP 4 5.589 -0.779 -8.259 20 HA ASP 4 HA ASP 4 8.330 -0.364 -7.682 21 HB2 ASP 4 HB2 ASP 4 7.119 0.470 -9.715 22 HB3 ASP 4 HB3 ASP 4 6.377 1.701 -8.702 23 H ALA 5 H ALA 5 5.514 0.411 -5.921 24 HA ALA 5 HA ALA 5 5.141 1.413 -3.929 25 HB1 ALA 5 HB1 ALA 5 8.096 2.059 -3.876 26 HB2 ALA 5 HB2 ALA 5 7.332 0.653 -3.135 27 HB3 ALA 5 HB3 ALA 5 6.972 2.269 -2.534 28 H ALA 6 H ALA 6 5.387 2.651 -6.633 29 HA ALA 6 HA ALA 6 4.732 5.335 -5.764 30 HB1 ALA 6 HB1 ALA 6 6.013 6.321 -7.624 31 HB2 ALA 6 HB2 ALA 6 6.666 4.729 -8.013 32 HB3 ALA 6 HB3 ALA 6 7.072 5.497 -6.479 33 H GLN 7 H GLN 7 3.002 6.060 -6.860 34 HA GLN 7 HA GLN 7 1.992 4.306 -8.999 35 HB2 GLN 7 HB2 GLN 7 0.322 5.905 -7.065 36 HB3 GLN 7 HB3 GLN 7 -0.242 4.717 -8.232 37 HG2 GLN 7 HG2 GLN 7 1.399 4.181 -5.765 38 HG3 GLN 7 HG3 GLN 7 -0.301 3.791 -6.011 39 HE21 GLN 7 HE21 GLN 7 2.002 2.104 -5.357 40 HE22 GLN 7 HE22 GLN 7 2.062 0.868 -6.562 41 H ALA 8 H ALA 8 0.121 5.587 -10.173 42 HA ALA 8 HA ALA 8 1.408 7.572 -11.672 43 HB1 ALA 8 HB1 ALA 8 -1.549 7.023 -11.459 44 HB2 ALA 8 HB2 ALA 8 -0.424 6.169 -12.512 45 HB3 ALA 8 HB3 ALA 8 -0.738 7.889 -12.767 46 H GLY 9 H GLY 9 -0.965 7.755 -9.074 47 HA2 GLY 9 HA2 GLY 9 -0.827 10.652 -9.052 48 HA3 GLY 9 HA3 GLY 9 -1.777 9.636 -7.971 49 H ASP 10 H ASP 10 0.015 7.970 -6.913 50 HA ASP 10 HA ASP 10 1.497 7.702 -5.216 51 HB2 ASP 10 HB2 ASP 10 3.055 8.309 -7.120 52 HB3 ASP 10 HB3 ASP 10 3.064 9.953 -6.495 53 H ASN 11 H ASN 11 -0.690 9.492 -4.805 54 HA ASN 11 HA ASN 11 0.467 11.340 -2.839 55 HB2 ASN 11 HB2 ASN 11 -1.505 12.722 -3.034 56 HB3 ASN 11 HB3 ASN 11 -0.845 12.446 -4.637 57 HD21 ASN 11 HD21 ASN 11 -3.501 13.229 -3.835 58 HD22 ASN 11 HD22 ASN 11 -4.581 12.035 -4.472 59 H ALA 12 H ALA 12 -0.022 8.537 -2.528 60 HA ALA 12 HA ALA 12 -1.690 8.664 -0.181 61 HB1 ALA 12 HB1 ALA 12 -2.051 6.639 -2.365 62 HB2 ALA 12 HB2 ALA 12 -3.159 7.958 -1.982 63 HB3 ALA 12 HB3 ALA 12 -2.887 6.660 -0.808 64 H GLU 13 H GLU 13 -1.170 7.073 1.288 65 HA GLU 13 HA GLU 13 1.340 5.652 0.742 66 HB2 GLU 13 HB2 GLU 13 0.508 6.916 3.335 67 HB3 GLU 13 HB3 GLU 13 2.081 6.227 2.948 68 HG2 GLU 13 HG2 GLU 13 2.564 8.014 1.459 69 HG3 GLU 13 HG3 GLU 13 0.911 8.623 1.584 70 H TYR 14 H TYR 14 -1.141 4.543 0.414 71 HA TYR 14 HA TYR 14 -1.347 2.805 2.763 72 HB2 TYR 14 HB2 TYR 14 -3.705 3.961 1.281 73 HB3 TYR 14 HB3 TYR 14 -3.762 2.818 2.622 74 HD1 TYR 14 HD1 TYR 14 -3.405 6.288 1.665 75 HD2 TYR 14 HD2 TYR 14 -3.047 3.553 4.904 76 HE1 TYR 14 HE1 TYR 14 -3.452 8.168 3.250 77 HE2 TYR 14 HE2 TYR 14 -3.098 5.427 6.495 78 HH TYR 14 HH TYR 14 -2.695 7.793 6.578 79 H ILE 15 H ILE 15 -2.463 0.836 2.424 80 HA ILE 15 HA ILE 15 -2.167 -0.297 -0.282 81 HB ILE 15 HB ILE 15 -1.319 -2.312 0.689 82 HG12 ILE 15 HG12 ILE 15 -1.970 -1.081 3.371 83 HG13 ILE 15 HG13 ILE 15 -2.842 -2.389 2.565 84 HG21 ILE 15 HG21 ILE 15 0.686 -1.589 1.862 85 HG22 ILE 15 HG22 ILE 15 -0.035 0.003 2.102 86 HG23 ILE 15 HG23 ILE 15 0.338 -0.560 0.473 87 HD11 ILE 15 HD11 ILE 15 0.017 -2.539 3.470 88 HD12 ILE 15 HD12 ILE 15 -0.962 -3.851 2.801 89 HD13 ILE 15 HD13 ILE 15 -1.367 -3.148 4.373 90 H LYS 16 H LYS 16 -3.563 -2.284 -0.476 91 HA LYS 16 HA LYS 16 -6.097 -1.755 0.919 92 HB2 LYS 16 HB2 LYS 16 -5.776 -1.903 -1.647 93 HB3 LYS 16 HB3 LYS 16 -5.775 -3.631 -1.369 94 HG2 LYS 16 HG2 LYS 16 -7.984 -3.724 -0.828 95 HG3 LYS 16 HG3 LYS 16 -8.016 -2.063 -0.213 96 HD2 LYS 16 HD2 LYS 16 -9.292 -2.159 -2.258 97 HD3 LYS 16 HD3 LYS 16 -7.817 -1.244 -2.549 98 HE2 LYS 16 HE2 LYS 16 -8.088 -2.642 -4.433 99 HE3 LYS 16 HE3 LYS 16 -6.829 -3.396 -3.459 100 HZ1 LYS 16 HZ1 LYS 16 -8.577 -4.903 -4.394 101 HZ2 LYS 16 HZ2 LYS 16 -9.669 -4.226 -3.299 102 HZ3 LYS 16 HZ3 LYS 16 -8.303 -5.064 -2.740 103 H ILE 17 H ILE 17 -7.115 -3.319 2.103 104 HA ILE 17 HA ILE 17 -5.911 -5.974 2.149 105 HB ILE 17 HB ILE 17 -6.542 -4.399 4.655 106 HG12 ILE 17 HG12 ILE 17 -3.974 -5.673 3.668 107 HG13 ILE 17 HG13 ILE 17 -4.337 -3.950 3.649 108 HG21 ILE 17 HG21 ILE 17 -5.859 -7.323 4.315 109 HG22 ILE 17 HG22 ILE 17 -7.349 -6.646 4.976 110 HG23 ILE 17 HG23 ILE 17 -5.830 -6.468 5.855 111 HD11 ILE 17 HD11 ILE 17 -4.484 -3.995 6.104 112 HD12 ILE 17 HD12 ILE 17 -2.896 -4.461 5.497 113 HD13 ILE 17 HD13 ILE 17 -4.018 -5.694 6.075 114 H LYS 18 H LYS 18 -7.280 -7.626 2.220 115 HA LYS 18 HA LYS 18 -10.117 -6.919 2.172 116 HB2 LYS 18 HB2 LYS 18 -9.152 -9.695 1.670 117 HB3 LYS 18 HB3 LYS 18 -10.492 -8.835 0.942 118 HG2 LYS 18 HG2 LYS 18 -8.718 -7.452 -0.330 119 HG3 LYS 18 HG3 LYS 18 -7.574 -8.652 0.254 120 HD2 LYS 18 HD2 LYS 18 -10.036 -9.274 -1.369 121 HD3 LYS 18 HD3 LYS 18 -8.394 -9.172 -2.003 122 HE2 LYS 18 HE2 LYS 18 -7.722 -11.010 -0.520 123 HE3 LYS 18 HE3 LYS 18 -9.373 -11.110 0.091 124 HZ1 LYS 18 HZ1 LYS 18 -8.918 -12.767 -1.620 125 HZ2 LYS 18 HZ2 LYS 18 -8.564 -11.554 -2.732 126 HZ3 LYS 18 HZ3 LYS 18 -10.131 -11.701 -2.115 127 H VAL 19 H VAL 19 -10.938 -6.909 4.190 128 HA VAL 19 HA VAL 19 -10.023 -8.721 6.224 129 HB VAL 19 HB VAL 19 -12.320 -6.731 6.172 130 HG11 VAL 19 HG11 VAL 19 -12.503 -7.049 8.558 131 HG12 VAL 19 HG12 VAL 19 -11.210 -8.250 8.520 132 HG13 VAL 19 HG13 VAL 19 -12.747 -8.582 7.722 133 HG21 VAL 19 HG21 VAL 19 -10.894 -5.384 7.650 134 HG22 VAL 19 HG22 VAL 19 -10.119 -5.669 6.087 135 HG23 VAL 19 HG23 VAL 19 -9.613 -6.588 7.504 136 H VAL 20 H VAL 20 -10.713 -10.748 6.301 137 HA VAL 20 HA VAL 20 -13.341 -11.388 5.156 138 HB VAL 20 HB VAL 20 -10.972 -13.219 5.615 139 HG11 VAL 20 HG11 VAL 20 -13.597 -13.741 4.224 140 HG12 VAL 20 HG12 VAL 20 -13.097 -14.393 5.784 141 HG13 VAL 20 HG13 VAL 20 -12.240 -14.863 4.316 142 HG21 VAL 20 HG21 VAL 20 -12.042 -12.065 3.040 143 HG22 VAL 20 HG22 VAL 20 -10.751 -13.259 3.172 144 HG23 VAL 20 HG23 VAL 20 -10.520 -11.635 3.820 145 H GLY 21 H GLY 21 -14.836 -11.733 6.608 146 HA2 GLY 21 HA2 GLY 21 -14.123 -12.289 9.360 147 HA3 GLY 21 HA3 GLY 21 -15.748 -12.050 8.741 148 H GLN 22 H GLN 22 -15.726 -13.966 10.451 149 HA GLN 22 HA GLN 22 -14.817 -16.466 9.532 150 HB2 GLN 22 HB2 GLN 22 -16.771 -15.747 11.698 151 HB3 GLN 22 HB3 GLN 22 -16.332 -17.411 11.335 152 HG2 GLN 22 HG2 GLN 22 -14.034 -16.971 11.862 153 HG3 GLN 22 HG3 GLN 22 -14.375 -15.259 12.081 154 HE21 GLN 22 HE21 GLN 22 -13.262 -17.253 13.893 155 HE22 GLN 22 HE22 GLN 22 -14.261 -17.225 15.304 156 H ASP 23 H ASP 23 -17.870 -14.835 9.239 157 HA ASP 23 HA ASP 23 -19.143 -17.086 7.955 158 HB2 ASP 23 HB2 ASP 23 -20.372 -15.321 9.272 159 HB3 ASP 23 HB3 ASP 23 -20.010 -14.179 7.986 160 H SER 24 H SER 24 -16.597 -15.885 6.990 161 HA SER 24 HA SER 24 -15.458 -15.408 5.135 162 HB2 SER 24 HB2 SER 24 -16.230 -16.326 2.985 163 HB3 SER 24 HB3 SER 24 -16.356 -17.497 4.292 164 HG SER 24 HG SER 24 -18.662 -16.374 4.284 165 H ASN 25 H ASN 25 -17.102 -13.464 6.243 166 HA ASN 25 HA ASN 25 -18.158 -11.892 4.033 167 HB2 ASN 25 HB2 ASN 25 -19.270 -11.823 6.218 168 HB3 ASN 25 HB3 ASN 25 -17.818 -11.138 6.942 169 HD21 ASN 25 HD21 ASN 25 -18.863 -9.283 7.589 170 HD22 ASN 25 HD22 ASN 25 -19.368 -8.057 6.480 171 H GLU 26 H GLU 26 -16.743 -11.043 2.752 172 HA GLU 26 HA GLU 26 -14.245 -9.995 3.854 173 HB2 GLU 26 HB2 GLU 26 -13.941 -11.683 2.167 174 HB3 GLU 26 HB3 GLU 26 -14.955 -10.790 1.042 175 HG2 GLU 26 HG2 GLU 26 -13.289 -8.955 1.084 176 HG3 GLU 26 HG3 GLU 26 -12.266 -9.957 2.111 177 H VAL 27 H VAL 27 -13.795 -7.957 3.832 178 HA VAL 27 HA VAL 27 -15.198 -6.129 2.031 179 HB VAL 27 HB VAL 27 -16.386 -5.957 4.168 180 HG11 VAL 27 HG11 VAL 27 -13.699 -5.323 5.352 181 HG12 VAL 27 HG12 VAL 27 -14.637 -6.792 5.629 182 HG13 VAL 27 HG13 VAL 27 -15.243 -5.235 6.200 183 HG21 VAL 27 HG21 VAL 27 -16.131 -3.909 2.892 184 HG22 VAL 27 HG22 VAL 27 -14.572 -3.603 3.655 185 HG23 VAL 27 HG23 VAL 27 -16.050 -3.553 4.618 186 H HIS 28 H HIS 28 -13.974 -4.430 1.333 187 HA HIS 28 HA HIS 28 -11.135 -4.874 1.786 188 HB2 HIS 28 HB2 HIS 28 -12.627 -3.497 -0.422 189 HB3 HIS 28 HB3 HIS 28 -10.874 -3.411 -0.269 190 HD2 HIS 28 HD2 HIS 28 -12.513 -6.835 0.477 191 HE1 HIS 28 HE1 HIS 28 -10.725 -7.081 -3.352 192 HE2 HIS 28 HE2 HIS 28 -11.927 -8.346 -1.528 193 H PHE 29 H PHE 29 -10.153 -3.720 3.117 194 HA PHE 29 HA PHE 29 -10.946 -0.934 3.565 195 HB2 PHE 29 HB2 PHE 29 -9.627 -2.965 5.317 196 HB3 PHE 29 HB3 PHE 29 -9.419 -1.256 5.647 197 HD1 PHE 29 HD1 PHE 29 -11.584 -4.111 5.922 198 HD2 PHE 29 HD2 PHE 29 -11.454 0.134 6.100 199 HE1 PHE 29 HE1 PHE 29 -13.712 -4.099 7.115 200 HE2 PHE 29 HE2 PHE 29 -13.594 0.148 7.306 201 HZ PHE 29 HZ PHE 29 -14.721 -1.979 7.812 202 H ARG 30 H ARG 30 -9.410 0.654 3.638 203 HA ARG 30 HA ARG 30 -6.885 -0.028 2.307 204 HB2 ARG 30 HB2 ARG 30 -8.473 1.540 1.177 205 HB3 ARG 30 HB3 ARG 30 -8.240 2.665 2.512 206 HG2 ARG 30 HG2 ARG 30 -6.825 3.405 0.800 207 HG3 ARG 30 HG3 ARG 30 -5.777 2.580 1.939 208 HD2 ARG 30 HD2 ARG 30 -5.618 0.663 0.574 209 HD3 ARG 30 HD3 ARG 30 -6.940 1.196 -0.460 210 HE ARG 30 HE ARG 30 -4.960 3.127 -0.631 211 HH11 ARG 30 HH11 ARG 30 -5.310 -0.261 -1.401 212 HH12 ARG 30 HH12 ARG 30 -4.217 -0.219 -2.738 213 HH21 ARG 30 HH21 ARG 30 -3.536 3.209 -2.432 214 HH22 ARG 30 HH22 ARG 30 -3.209 1.763 -3.330 215 H VAL 31 H VAL 31 -5.208 -0.008 3.591 216 HA VAL 31 HA VAL 31 -5.059 1.858 5.849 217 HB VAL 31 HB VAL 31 -4.235 0.166 7.391 218 HG11 VAL 31 HG11 VAL 31 -6.605 0.657 7.455 219 HG12 VAL 31 HG12 VAL 31 -6.322 -1.045 7.829 220 HG13 VAL 31 HG13 VAL 31 -6.915 -0.577 6.234 221 HG21 VAL 31 HG21 VAL 31 -4.388 -2.210 6.888 222 HG22 VAL 31 HG22 VAL 31 -3.278 -1.386 5.793 223 HG23 VAL 31 HG23 VAL 31 -4.893 -1.835 5.241 224 H LYS 32 H LYS 32 -2.790 1.649 6.838 225 HA LYS 32 HA LYS 32 -0.957 1.979 4.602 226 HB2 LYS 32 HB2 LYS 32 -1.307 3.656 6.498 227 HB3 LYS 32 HB3 LYS 32 -0.443 2.519 7.511 228 HG2 LYS 32 HG2 LYS 32 1.497 2.683 6.054 229 HG3 LYS 32 HG3 LYS 32 0.644 3.850 5.048 230 HD2 LYS 32 HD2 LYS 32 1.207 4.229 7.987 231 HD3 LYS 32 HD3 LYS 32 2.196 4.896 6.687 232 HE2 LYS 32 HE2 LYS 32 0.253 6.132 5.851 233 HE3 LYS 32 HE3 LYS 32 -0.727 5.475 7.158 234 HZ1 LYS 32 HZ1 LYS 32 0.074 7.726 7.610 235 HZ2 LYS 32 HZ2 LYS 32 1.669 7.184 7.526 236 HZ3 LYS 32 HZ3 LYS 32 0.650 6.619 8.749 237 H TYR 33 H TYR 33 1.147 0.970 4.599 238 HA TYR 33 HA TYR 33 1.342 -1.718 5.329 239 HB2 TYR 33 HB2 TYR 33 3.473 0.371 4.874 240 HB3 TYR 33 HB3 TYR 33 3.897 -1.265 5.335 241 HD1 TYR 33 HD1 TYR 33 3.319 0.936 2.639 242 HD2 TYR 33 HD2 TYR 33 2.958 -3.149 3.780 243 HE1 TYR 33 HE1 TYR 33 3.350 0.274 0.267 244 HE2 TYR 33 HE2 TYR 33 2.983 -3.819 1.416 245 HH TYR 33 HH TYR 33 3.878 -1.701 -1.084 246 H GLY 34 H GLY 34 2.228 1.200 7.098 247 HA2 GLY 34 HA2 GLY 34 3.163 -0.379 9.374 248 HA3 GLY 34 HA3 GLY 34 3.422 1.344 9.135 249 H THR 35 H THR 35 0.271 -0.019 8.594 250 HA THR 35 HA THR 35 -0.907 1.704 10.440 251 HB THR 35 HB THR 35 -1.779 -0.342 8.541 252 HG1 THR 35 HG1 THR 35 -2.124 2.294 9.062 253 HG21 THR 35 HG21 THR 35 -4.091 -0.434 9.460 254 HG22 THR 35 HG22 THR 35 -3.472 0.306 10.943 255 HG23 THR 35 HG23 THR 35 -2.891 -1.280 10.439 256 H SER 36 H SER 36 -1.761 1.389 12.432 257 HA SER 36 HA SER 36 -0.771 -0.903 13.928 258 HB2 SER 36 HB2 SER 36 -2.055 1.691 14.800 259 HB3 SER 36 HB3 SER 36 -1.501 0.432 15.907 260 HG SER 36 HG SER 36 0.429 1.061 14.123 261 H MET 37 H MET 37 -2.214 -2.038 15.414 262 HA MET 37 HA MET 37 -4.389 -3.199 14.175 263 HB2 MET 37 HB2 MET 37 -4.927 -4.241 16.249 264 HB3 MET 37 HB3 MET 37 -3.179 -4.093 16.167 265 HG2 MET 37 HG2 MET 37 -3.272 -2.147 17.642 266 HG3 MET 37 HG3 MET 37 -5.026 -2.287 17.721 267 HE1 MET 37 HE1 MET 37 -3.240 -2.148 20.347 268 HE2 MET 37 HE2 MET 37 -3.996 -3.416 21.311 269 HE3 MET 37 HE3 MET 37 -4.994 -2.324 20.351 270 H ALA 38 H ALA 38 -4.345 -0.324 16.130 271 HA ALA 38 HA ALA 38 -7.061 -0.179 16.777 272 HB1 ALA 38 HB1 ALA 38 -5.344 1.151 17.884 273 HB2 ALA 38 HB2 ALA 38 -6.653 2.156 17.256 274 HB3 ALA 38 HB3 ALA 38 -5.113 2.080 16.402 275 H LYS 39 H LYS 39 -5.309 0.857 13.912 276 HA LYS 39 HA LYS 39 -7.248 2.620 12.897 277 HB2 LYS 39 HB2 LYS 39 -5.238 0.944 11.383 278 HB3 LYS 39 HB3 LYS 39 -6.136 2.298 10.728 279 HG2 LYS 39 HG2 LYS 39 -4.190 2.494 13.018 280 HG3 LYS 39 HG3 LYS 39 -3.839 2.929 11.346 281 HD2 LYS 39 HD2 LYS 39 -5.639 4.604 11.430 282 HD3 LYS 39 HD3 LYS 39 -5.940 4.175 13.115 283 HE2 LYS 39 HE2 LYS 39 -3.663 4.872 13.688 284 HE3 LYS 39 HE3 LYS 39 -3.377 5.312 12.004 285 HZ1 LYS 39 HZ1 LYS 39 -5.169 6.936 12.182 286 HZ2 LYS 39 HZ2 LYS 39 -3.942 7.248 13.294 287 HZ3 LYS 39 HZ3 LYS 39 -5.388 6.543 13.813 288 H LEU 40 H LEU 40 -6.866 -0.841 12.594 289 HA LEU 40 HA LEU 40 -9.048 -0.996 10.696 290 HB2 LEU 40 HB2 LEU 40 -8.608 -3.516 10.947 291 HB3 LEU 40 HB3 LEU 40 -7.445 -2.529 10.095 292 HG LEU 40 HG LEU 40 -6.970 -3.090 13.011 293 HD11 LEU 40 HD11 LEU 40 -5.824 -5.160 12.412 294 HD12 LEU 40 HD12 LEU 40 -6.373 -4.997 10.744 295 HD13 LEU 40 HD13 LEU 40 -7.543 -5.267 12.035 296 HD21 LEU 40 HD21 LEU 40 -4.645 -3.016 12.245 297 HD22 LEU 40 HD22 LEU 40 -5.508 -1.558 11.759 298 HD23 LEU 40 HD23 LEU 40 -5.190 -2.827 10.582 299 H LYS 41 H LYS 41 -8.361 -2.066 13.983 300 HA LYS 41 HA LYS 41 -10.798 -3.384 14.457 301 HB2 LYS 41 HB2 LYS 41 -8.770 -2.117 16.257 302 HB3 LYS 41 HB3 LYS 41 -10.152 -3.021 16.855 303 HG2 LYS 41 HG2 LYS 41 -9.378 -5.025 15.865 304 HG3 LYS 41 HG3 LYS 41 -8.105 -4.170 14.981 305 HD2 LYS 41 HD2 LYS 41 -7.033 -3.583 16.973 306 HD3 LYS 41 HD3 LYS 41 -8.323 -4.273 17.978 307 HE2 LYS 41 HE2 LYS 41 -7.760 -6.502 17.006 308 HE3 LYS 41 HE3 LYS 41 -6.428 -5.748 16.136 309 HZ1 LYS 41 HZ1 LYS 41 -6.743 -5.898 19.082 310 HZ2 LYS 41 HZ2 LYS 41 -5.489 -5.087 18.302 311 HZ3 LYS 41 HZ3 LYS 41 -5.623 -6.764 18.159 312 H LYS 42 H LYS 42 -9.756 -0.150 15.246 313 HA LYS 42 HA LYS 42 -12.171 0.634 16.439 314 HB2 LYS 42 HB2 LYS 42 -10.062 1.807 16.797 315 HB3 LYS 42 HB3 LYS 42 -10.016 2.274 15.110 316 HG2 LYS 42 HG2 LYS 42 -11.810 3.789 15.389 317 HG3 LYS 42 HG3 LYS 42 -12.189 3.146 16.993 318 HD2 LYS 42 HD2 LYS 42 -10.967 5.266 17.160 319 HD3 LYS 42 HD3 LYS 42 -10.029 3.932 17.831 320 HE2 LYS 42 HE2 LYS 42 -8.747 3.794 15.739 321 HE3 LYS 42 HE3 LYS 42 -9.679 5.135 15.082 322 HZ1 LYS 42 HZ1 LYS 42 -7.554 5.884 15.927 323 HZ2 LYS 42 HZ2 LYS 42 -7.891 5.246 17.454 324 HZ3 LYS 42 HZ3 LYS 42 -8.801 6.539 16.860 325 H SER 43 H SER 43 -11.007 0.670 13.144 326 HA SER 43 HA SER 43 -13.111 2.263 12.077 327 HB2 SER 43 HB2 SER 43 -10.958 2.023 10.938 328 HB3 SER 43 HB3 SER 43 -11.233 0.300 10.731 329 HG SER 43 HG SER 43 -12.363 2.470 9.398 330 H TYR 44 H TYR 44 -12.495 -1.266 11.951 331 HA TYR 44 HA TYR 44 -14.904 -1.905 10.654 332 HB2 TYR 44 HB2 TYR 44 -12.880 -3.299 10.714 333 HB3 TYR 44 HB3 TYR 44 -13.206 -3.659 12.398 334 HD1 TYR 44 HD1 TYR 44 -14.069 -4.413 8.960 335 HD2 TYR 44 HD2 TYR 44 -15.178 -5.012 13.019 336 HE1 TYR 44 HE1 TYR 44 -15.487 -6.304 8.283 337 HE2 TYR 44 HE2 TYR 44 -16.596 -6.913 12.360 338 HH TYR 44 HH TYR 44 -17.763 -7.726 10.366 339 H ALA 45 H ALA 45 -14.000 -2.069 14.070 340 HA ALA 45 HA ALA 45 -16.400 -3.181 14.952 341 HB1 ALA 45 HB1 ALA 45 -14.418 -3.043 16.370 342 HB2 ALA 45 HB2 ALA 45 -15.828 -2.342 17.166 343 HB3 ALA 45 HB3 ALA 45 -14.601 -1.291 16.457 344 H ASP 46 H ASP 46 -15.470 0.040 14.208 345 HA ASP 46 HA ASP 46 -17.671 1.396 15.416 346 HB2 ASP 46 HB2 ASP 46 -15.615 2.558 14.851 347 HB3 ASP 46 HB3 ASP 46 -15.899 2.266 13.140 348 H ARG 47 H ARG 47 -17.059 0.329 12.089 349 HA ARG 47 HA ARG 47 -19.464 1.357 11.009 350 HB2 ARG 47 HB2 ARG 47 -18.958 0.102 9.032 351 HB3 ARG 47 HB3 ARG 47 -17.433 0.680 9.693 352 HG2 ARG 47 HG2 ARG 47 -17.166 -1.561 10.774 353 HG3 ARG 47 HG3 ARG 47 -18.561 -2.096 9.840 354 HD2 ARG 47 HD2 ARG 47 -16.031 -0.955 8.696 355 HD3 ARG 47 HD3 ARG 47 -16.408 -2.675 8.805 356 HE ARG 47 HE ARG 47 -17.512 -0.728 6.955 357 HH11 ARG 47 HH11 ARG 47 -17.775 -3.969 8.304 358 HH12 ARG 47 HH12 ARG 47 -18.611 -4.610 6.937 359 HH21 ARG 47 HH21 ARG 47 -18.640 -1.585 5.143 360 HH22 ARG 47 HH22 ARG 47 -19.112 -3.247 5.137 361 H THR 48 H THR 48 -18.724 -1.572 12.719 362 HA THR 48 HA THR 48 -21.294 -2.732 11.994 363 HB THR 48 HB THR 48 -19.387 -4.261 11.946 364 HG1 THR 48 HG1 THR 48 -21.250 -4.778 14.041 365 HG21 THR 48 HG21 THR 48 -19.112 -3.637 14.876 366 HG22 THR 48 HG22 THR 48 -17.950 -3.269 13.596 367 HG23 THR 48 HG23 THR 48 -18.274 -4.944 14.040 368 H GLY 49 H GLY 49 -20.133 -0.641 14.293 369 HA2 GLY 49 HA2 GLY 49 -21.166 0.301 16.116 370 HA3 GLY 49 HA3 GLY 49 -22.577 -0.673 15.741 371 H VAL 50 H VAL 50 -19.377 -1.964 16.417 372 HA VAL 50 HA VAL 50 -20.512 -3.142 18.856 373 HB VAL 50 HB VAL 50 -19.958 -4.649 16.795 374 HG11 VAL 50 HG11 VAL 50 -17.694 -3.823 16.420 375 HG12 VAL 50 HG12 VAL 50 -17.714 -5.553 16.743 376 HG13 VAL 50 HG13 VAL 50 -17.201 -4.431 18.005 377 HG21 VAL 50 HG21 VAL 50 -20.666 -5.422 19.001 378 HG22 VAL 50 HG22 VAL 50 -18.980 -5.405 19.531 379 HG23 VAL 50 HG23 VAL 50 -19.492 -6.501 18.252 380 H ALA 51 H ALA 51 -18.796 -3.843 20.423 381 HA ALA 51 HA ALA 51 -17.228 -1.683 21.238 382 HB1 ALA 51 HB1 ALA 51 -16.239 -3.404 22.815 383 HB2 ALA 51 HB2 ALA 51 -17.273 -4.601 22.014 384 HB3 ALA 51 HB3 ALA 51 -17.993 -3.240 22.861 385 H VAL 52 H VAL 52 -15.249 -1.061 20.684 386 HA VAL 52 HA VAL 52 -13.835 -2.207 18.532 387 HB VAL 52 HB VAL 52 -12.961 -0.176 20.600 388 HG11 VAL 52 HG11 VAL 52 -10.996 -1.242 19.658 389 HG12 VAL 52 HG12 VAL 52 -11.145 0.410 19.057 390 HG13 VAL 52 HG13 VAL 52 -11.594 -0.947 18.024 391 HG21 VAL 52 HG21 VAL 52 -13.906 0.165 17.754 392 HG22 VAL 52 HG22 VAL 52 -13.365 1.459 18.822 393 HG23 VAL 52 HG23 VAL 52 -14.827 0.553 19.207 394 H ASN 53 H ASN 53 -13.349 -2.281 22.007 395 HA ASN 53 HA ASN 53 -10.879 -3.645 21.933 396 HB2 ASN 53 HB2 ASN 53 -12.873 -3.185 24.131 397 HB3 ASN 53 HB3 ASN 53 -11.395 -4.109 24.388 398 HD21 ASN 53 HD21 ASN 53 -9.418 -3.054 24.301 399 HD22 ASN 53 HD22 ASN 53 -9.288 -1.336 24.414 400 H SER 54 H SER 54 -14.191 -4.828 21.861 401 HA SER 54 HA SER 54 -13.337 -7.494 22.581 402 HB2 SER 54 HB2 SER 54 -15.688 -8.120 22.212 403 HB3 SER 54 HB3 SER 54 -15.561 -6.716 23.269 404 HG SER 54 HG SER 54 -16.912 -6.928 20.989 405 H LEU 55 H LEU 55 -13.500 -5.619 19.760 406 HA LEU 55 HA LEU 55 -13.797 -7.890 17.965 407 HB2 LEU 55 HB2 LEU 55 -14.806 -5.480 17.724 408 HB3 LEU 55 HB3 LEU 55 -13.211 -5.044 17.167 409 HG LEU 55 HG LEU 55 -14.760 -5.387 15.306 410 HD11 LEU 55 HD11 LEU 55 -12.663 -7.537 15.410 411 HD12 LEU 55 HD12 LEU 55 -12.409 -5.858 14.941 412 HD13 LEU 55 HD13 LEU 55 -13.437 -6.901 13.958 413 HD21 LEU 55 HD21 LEU 55 -16.259 -7.009 16.292 414 HD22 LEU 55 HD22 LEU 55 -14.980 -8.221 16.330 415 HD23 LEU 55 HD23 LEU 55 -15.604 -7.642 14.784 416 H ARG 56 H ARG 56 -12.102 -8.759 16.802 417 HA ARG 56 HA ARG 56 -9.534 -7.442 17.027 418 HB2 ARG 56 HB2 ARG 56 -8.388 -9.477 17.756 419 HB3 ARG 56 HB3 ARG 56 -9.533 -8.905 18.957 420 HG2 ARG 56 HG2 ARG 56 -10.317 -11.040 17.018 421 HG3 ARG 56 HG3 ARG 56 -9.349 -11.431 18.439 422 HD2 ARG 56 HD2 ARG 56 -11.121 -10.311 19.828 423 HD3 ARG 56 HD3 ARG 56 -12.100 -10.200 18.366 424 HE ARG 56 HE ARG 56 -11.324 -12.839 18.598 425 HH11 ARG 56 HH11 ARG 56 -13.226 -10.566 20.496 426 HH12 ARG 56 HH12 ARG 56 -14.224 -11.801 21.189 427 HH21 ARG 56 HH21 ARG 56 -12.663 -14.465 19.515 428 HH22 ARG 56 HH22 ARG 56 -13.911 -14.012 20.617 429 H PHE 57 H PHE 57 -8.043 -8.034 15.554 430 HA PHE 57 HA PHE 57 -9.027 -9.587 13.262 431 HB2 PHE 57 HB2 PHE 57 -7.288 -7.137 13.417 432 HB3 PHE 57 HB3 PHE 57 -7.399 -8.136 11.972 433 HD1 PHE 57 HD1 PHE 57 -9.394 -6.078 14.297 434 HD2 PHE 57 HD2 PHE 57 -9.109 -7.848 10.485 435 HE1 PHE 57 HE1 PHE 57 -11.349 -4.784 13.541 436 HE2 PHE 57 HE2 PHE 57 -11.040 -6.564 9.724 437 HZ PHE 57 HZ PHE 57 -12.162 -5.036 11.252 438 H LEU 58 H LEU 58 -7.699 -11.103 12.456 439 HA LEU 58 HA LEU 58 -5.048 -11.345 13.674 440 HB2 LEU 58 HB2 LEU 58 -7.173 -13.416 13.376 441 HB3 LEU 58 HB3 LEU 58 -5.496 -13.905 13.257 442 HG LEU 58 HG LEU 58 -5.163 -12.796 15.518 443 HD11 LEU 58 HD11 LEU 58 -7.174 -11.455 15.581 444 HD12 LEU 58 HD12 LEU 58 -7.098 -12.556 16.956 445 HD13 LEU 58 HD13 LEU 58 -8.158 -12.917 15.598 446 HD21 LEU 58 HD21 LEU 58 -5.916 -14.713 16.748 447 HD22 LEU 58 HD22 LEU 58 -5.238 -15.207 15.195 448 HD23 LEU 58 HD23 LEU 58 -6.988 -15.173 15.428 449 H PHE 59 H PHE 59 -3.419 -11.846 12.375 450 HA PHE 59 HA PHE 59 -4.016 -12.015 9.501 451 HB2 PHE 59 HB2 PHE 59 -2.569 -10.116 10.400 452 HB3 PHE 59 HB3 PHE 59 -1.379 -11.336 10.828 453 HD1 PHE 59 HD1 PHE 59 -2.639 -9.213 8.258 454 HD2 PHE 59 HD2 PHE 59 -0.445 -12.783 8.958 455 HE1 PHE 59 HE1 PHE 59 -1.689 -9.063 5.993 456 HE2 PHE 59 HE2 PHE 59 0.527 -12.637 6.698 457 HZ PHE 59 HZ PHE 59 -0.099 -10.773 5.213 458 H ASP 60 H ASP 60 -3.894 -14.030 8.766 459 HA ASP 60 HA ASP 60 -3.436 -16.258 8.577 460 HB2 ASP 60 HB2 ASP 60 -1.313 -15.239 7.813 461 HB3 ASP 60 HB3 ASP 60 -0.665 -15.411 9.437 462 H GLY 61 H GLY 61 -4.328 -15.303 11.178 463 HA2 GLY 61 HA2 GLY 61 -5.083 -16.713 12.930 464 HA3 GLY 61 HA3 GLY 61 -3.694 -17.748 12.651 465 H ARG 62 H ARG 62 -2.382 -14.772 12.637 466 HA ARG 62 HA ARG 62 -1.950 -14.894 15.542 467 HB2 ARG 62 HB2 ARG 62 0.217 -13.816 15.182 468 HB3 ARG 62 HB3 ARG 62 0.067 -15.285 14.230 469 HG2 ARG 62 HG2 ARG 62 1.085 -13.872 12.749 470 HG3 ARG 62 HG3 ARG 62 -0.613 -13.681 12.321 471 HD2 ARG 62 HD2 ARG 62 0.209 -11.498 12.376 472 HD3 ARG 62 HD3 ARG 62 -0.599 -11.692 13.933 473 HE ARG 62 HE ARG 62 2.183 -12.346 14.062 474 HH11 ARG 62 HH11 ARG 62 -0.102 -9.710 14.114 475 HH12 ARG 62 HH12 ARG 62 0.962 -8.615 14.931 476 HH21 ARG 62 HH21 ARG 62 3.633 -10.890 15.097 477 HH22 ARG 62 HH22 ARG 62 3.104 -9.275 15.464 478 H ARG 63 H ARG 63 -2.135 -13.197 16.784 479 HA ARG 63 HA ARG 63 -4.160 -11.360 16.045 480 HB2 ARG 63 HB2 ARG 63 -2.425 -11.615 18.481 481 HB3 ARG 63 HB3 ARG 63 -3.781 -10.502 18.346 482 HG2 ARG 63 HG2 ARG 63 -5.346 -12.229 18.263 483 HG3 ARG 63 HG3 ARG 63 -4.120 -13.441 17.885 484 HD2 ARG 63 HD2 ARG 63 -4.863 -13.633 20.181 485 HD3 ARG 63 HD3 ARG 63 -3.166 -13.176 20.082 486 HE ARG 63 HE ARG 63 -5.371 -11.333 20.757 487 HH11 ARG 63 HH11 ARG 63 -1.996 -12.300 20.999 488 HH12 ARG 63 HH12 ARG 63 -1.574 -11.009 22.072 489 HH21 ARG 63 HH21 ARG 63 -4.794 -9.621 22.171 490 HH22 ARG 63 HH22 ARG 63 -3.159 -9.485 22.732 491 H ILE 64 H ILE 64 -4.102 -9.314 15.501 492 HA ILE 64 HA ILE 64 -1.496 -8.138 14.874 493 HB ILE 64 HB ILE 64 -4.298 -7.193 14.183 494 HG12 ILE 64 HG12 ILE 64 -2.239 -8.507 12.394 495 HG13 ILE 64 HG13 ILE 64 -3.577 -9.368 13.145 496 HG21 ILE 64 HG21 ILE 64 -1.627 -6.238 13.136 497 HG22 ILE 64 HG22 ILE 64 -2.655 -5.353 14.260 498 HG23 ILE 64 HG23 ILE 64 -3.208 -5.658 12.612 499 HD11 ILE 64 HD11 ILE 64 -5.149 -7.902 11.937 500 HD12 ILE 64 HD12 ILE 64 -4.125 -8.849 10.864 501 HD13 ILE 64 HD13 ILE 64 -3.778 -7.139 11.132 502 H ASN 65 H ASN 65 -0.570 -6.752 16.212 503 HA ASN 65 HA ASN 65 -2.286 -5.229 18.060 504 HB2 ASN 65 HB2 ASN 65 0.494 -6.336 18.477 505 HB3 ASN 65 HB3 ASN 65 -0.230 -5.132 19.538 506 HD21 ASN 65 HD21 ASN 65 -0.071 -8.440 18.681 507 HD22 ASN 65 HD22 ASN 65 -1.183 -9.019 19.872 508 H ASP 66 H ASP 66 -1.388 -3.108 18.719 509 HA ASP 66 HA ASP 66 -0.563 -1.633 16.408 510 HB2 ASP 66 HB2 ASP 66 -0.555 0.327 17.880 511 HB3 ASP 66 HB3 ASP 66 -2.016 -0.618 18.130 512 H ASP 67 H ASP 67 1.038 -3.401 18.746 513 HA ASP 67 HA ASP 67 3.518 -1.965 18.772 514 HB2 ASP 67 HB2 ASP 67 2.964 -3.354 20.670 515 HB3 ASP 67 HB3 ASP 67 2.789 -4.769 19.638 516 H ASP 68 H ASP 68 2.001 -4.215 16.676 517 HA ASP 68 HA ASP 68 4.372 -5.328 15.580 518 HB2 ASP 68 HB2 ASP 68 1.553 -5.262 14.517 519 HB3 ASP 68 HB3 ASP 68 2.880 -6.126 13.751 520 H THR 69 H THR 69 5.466 -4.834 13.828 521 HA THR 69 HA THR 69 5.085 -2.149 12.757 522 HB THR 69 HB THR 69 7.490 -2.407 12.068 523 HG1 THR 69 HG1 THR 69 8.505 -4.249 13.281 524 HG21 THR 69 HG21 THR 69 8.409 -2.255 14.338 525 HG22 THR 69 HG22 THR 69 6.915 -2.927 14.989 526 HG23 THR 69 HG23 THR 69 6.903 -1.346 14.208 527 HA PRO 70 HA PRO 70 3.960 -3.395 8.680 528 HB2 PRO 70 HB2 PRO 70 5.974 -2.352 7.065 529 HB3 PRO 70 HB3 PRO 70 4.565 -1.460 7.644 530 HG2 PRO 70 HG2 PRO 70 7.344 -1.542 8.752 531 HG3 PRO 70 HG3 PRO 70 6.251 -0.156 8.571 532 HD2 PRO 70 HD2 PRO 70 6.599 -1.283 10.941 533 HD3 PRO 70 HD3 PRO 70 4.983 -0.762 10.431 534 H LYS 71 H LYS 71 7.442 -3.911 9.266 535 HA LYS 71 HA LYS 71 7.606 -5.970 7.292 536 HB2 LYS 71 HB2 LYS 71 9.857 -6.457 8.428 537 HB3 LYS 71 HB3 LYS 71 9.651 -4.928 7.597 538 HG2 LYS 71 HG2 LYS 71 10.837 -4.523 9.629 539 HG3 LYS 71 HG3 LYS 71 9.217 -3.861 9.803 540 HD2 LYS 71 HD2 LYS 71 9.998 -5.025 11.830 541 HD3 LYS 71 HD3 LYS 71 8.543 -5.745 11.149 542 HE2 LYS 71 HE2 LYS 71 9.826 -7.528 10.177 543 HE3 LYS 71 HE3 LYS 71 11.342 -6.785 10.702 544 HZ1 LYS 71 HZ1 LYS 71 9.196 -7.711 12.543 545 HZ2 LYS 71 HZ2 LYS 71 10.741 -7.175 12.977 546 HZ3 LYS 71 HZ3 LYS 71 10.554 -8.627 12.137 547 H THR 72 H THR 72 6.547 -5.926 10.506 548 HA THR 72 HA THR 72 7.050 -8.659 11.045 549 HB THR 72 HB THR 72 5.610 -6.454 12.462 550 HG1 THR 72 HG1 THR 72 7.568 -6.020 13.087 551 HG21 THR 72 HG21 THR 72 4.603 -8.553 13.011 552 HG22 THR 72 HG22 THR 72 5.521 -7.933 14.387 553 HG23 THR 72 HG23 THR 72 6.180 -9.242 13.392 554 H LEU 73 H LEU 73 4.346 -6.505 10.368 555 HA LEU 73 HA LEU 73 2.377 -8.565 10.409 556 HB2 LEU 73 HB2 LEU 73 2.332 -5.771 9.273 557 HB3 LEU 73 HB3 LEU 73 0.935 -6.828 9.305 558 HG LEU 73 HG LEU 73 2.422 -5.915 11.767 559 HD11 LEU 73 HD11 LEU 73 -0.215 -4.929 10.702 560 HD12 LEU 73 HD12 LEU 73 1.309 -4.051 10.587 561 HD13 LEU 73 HD13 LEU 73 0.605 -4.394 12.167 562 HD21 LEU 73 HD21 LEU 73 -0.212 -7.346 11.416 563 HD22 LEU 73 HD22 LEU 73 0.448 -6.770 12.947 564 HD23 LEU 73 HD23 LEU 73 1.276 -8.043 12.054 565 H GLU 74 H GLU 74 4.570 -7.335 8.062 566 HA GLU 74 HA GLU 74 5.040 -7.830 5.914 567 HB2 GLU 74 HB2 GLU 74 3.946 -10.388 6.956 568 HB3 GLU 74 HB3 GLU 74 4.698 -10.276 5.361 569 HG2 GLU 74 HG2 GLU 74 6.758 -9.508 6.472 570 HG3 GLU 74 HG3 GLU 74 5.960 -9.712 8.031 571 H MET 75 H MET 75 2.399 -6.680 6.365 572 HA MET 75 HA MET 75 0.566 -7.958 4.587 573 HB2 MET 75 HB2 MET 75 -0.778 -5.870 4.816 574 HB3 MET 75 HB3 MET 75 -0.375 -6.643 6.342 575 HG2 MET 75 HG2 MET 75 1.356 -5.016 6.756 576 HG3 MET 75 HG3 MET 75 1.081 -4.275 5.184 577 HE1 MET 75 HE1 MET 75 -1.866 -4.127 8.731 578 HE2 MET 75 HE2 MET 75 -0.301 -4.944 8.743 579 HE3 MET 75 HE3 MET 75 -1.630 -5.598 7.788 580 H GLU 76 H GLU 76 -0.384 -6.829 2.691 581 HA GLU 76 HA GLU 76 1.408 -5.136 1.194 582 HB2 GLU 76 HB2 GLU 76 1.491 -6.705 -0.720 583 HB3 GLU 76 HB3 GLU 76 2.325 -7.327 0.697 584 HG2 GLU 76 HG2 GLU 76 0.364 -8.701 1.226 585 HG3 GLU 76 HG3 GLU 76 -0.427 -8.105 -0.232 586 H ASP 77 H ASP 77 0.354 -4.867 -1.113 587 HA ASP 77 HA ASP 77 -2.206 -3.820 -0.656 588 HB2 ASP 77 HB2 ASP 77 -0.637 -2.898 -2.320 589 HB3 ASP 77 HB3 ASP 77 -0.865 -4.340 -3.308 590 H ASP 78 H ASP 78 -3.956 -4.772 -0.509 591 HA ASP 78 HA ASP 78 -5.786 -5.985 -0.795 592 HB2 ASP 78 HB2 ASP 78 -5.313 -5.682 -3.266 593 HB3 ASP 78 HB3 ASP 78 -4.598 -7.294 -3.226 594 H ASP 79 H ASP 79 -3.595 -6.878 0.829 595 HA ASP 79 HA ASP 79 -3.536 -9.753 0.591 596 HB2 ASP 79 HB2 ASP 79 -1.738 -8.233 1.746 597 HB3 ASP 79 HB3 ASP 79 -2.818 -8.348 3.137 598 H VAL 80 H VAL 80 -4.061 -10.834 2.941 599 HA VAL 80 HA VAL 80 -6.910 -10.206 3.247 600 HB VAL 80 HB VAL 80 -7.236 -12.611 3.756 601 HG11 VAL 80 HG11 VAL 80 -7.659 -11.799 1.515 602 HG12 VAL 80 HG12 VAL 80 -6.919 -13.401 1.424 603 HG13 VAL 80 HG13 VAL 80 -5.952 -11.958 1.107 604 HG21 VAL 80 HG21 VAL 80 -5.415 -14.175 3.149 605 HG22 VAL 80 HG22 VAL 80 -5.010 -13.156 4.531 606 HG23 VAL 80 HG23 VAL 80 -4.339 -12.791 2.942 607 H ILE 81 H ILE 81 -7.816 -10.321 5.214 608 HA ILE 81 HA ILE 81 -6.116 -10.765 7.545 609 HB ILE 81 HB ILE 81 -7.425 -8.270 6.724 610 HG12 ILE 81 HG12 ILE 81 -5.210 -8.946 8.659 611 HG13 ILE 81 HG13 ILE 81 -5.041 -8.370 7.006 612 HG21 ILE 81 HG21 ILE 81 -9.030 -8.768 8.365 613 HG22 ILE 81 HG22 ILE 81 -7.944 -7.527 8.996 614 HG23 ILE 81 HG23 ILE 81 -7.784 -9.203 9.543 615 HD11 ILE 81 HD11 ILE 81 -4.576 -6.566 8.503 616 HD12 ILE 81 HD12 ILE 81 -6.081 -6.838 9.376 617 HD13 ILE 81 HD13 ILE 81 -6.124 -6.234 7.724 618 H GLU 82 H GLU 82 -7.180 -11.650 9.344 619 HA GLU 82 HA GLU 82 -9.848 -12.719 8.686 620 HB2 GLU 82 HB2 GLU 82 -7.774 -13.796 10.593 621 HB3 GLU 82 HB3 GLU 82 -9.304 -14.561 10.185 622 HG2 GLU 82 HG2 GLU 82 -8.583 -14.821 7.880 623 HG3 GLU 82 HG3 GLU 82 -7.061 -14.016 8.256 624 H VAL 83 H VAL 83 -11.483 -12.712 10.216 625 HA VAL 83 HA VAL 83 -11.006 -11.108 12.642 626 HB VAL 83 HB VAL 83 -13.460 -11.033 10.885 627 HG11 VAL 83 HG11 VAL 83 -14.318 -9.344 12.446 628 HG12 VAL 83 HG12 VAL 83 -12.913 -9.594 13.482 629 HG13 VAL 83 HG13 VAL 83 -14.079 -10.897 13.249 630 HG21 VAL 83 HG21 VAL 83 -11.505 -8.885 11.594 631 HG22 VAL 83 HG22 VAL 83 -12.901 -8.739 10.518 632 HG23 VAL 83 HG23 VAL 83 -11.540 -9.766 10.063 633 H TYR 84 H TYR 84 -11.659 -11.962 14.466 634 HA TYR 84 HA TYR 84 -13.272 -14.394 14.340 635 HB2 TYR 84 HB2 TYR 84 -11.392 -13.298 16.411 636 HB3 TYR 84 HB3 TYR 84 -12.533 -14.584 16.785 637 HD1 TYR 84 HD1 TYR 84 -9.609 -13.694 14.699 638 HD2 TYR 84 HD2 TYR 84 -12.177 -16.788 16.053 639 HE1 TYR 84 HE1 TYR 84 -8.060 -15.367 13.786 640 HE2 TYR 84 HE2 TYR 84 -10.633 -18.477 15.152 641 HH TYR 84 HH TYR 84 -8.884 -18.613 13.394 642 H GLN 85 H GLN 85 -15.141 -14.621 15.569 643 HA GLN 85 HA GLN 85 -16.621 -12.189 15.731 644 HB2 GLN 85 HB2 GLN 85 -17.616 -14.400 15.091 645 HB3 GLN 85 HB3 GLN 85 -17.447 -14.906 16.767 646 HG2 GLN 85 HG2 GLN 85 -19.710 -14.180 16.320 647 HG3 GLN 85 HG3 GLN 85 -18.925 -13.091 17.464 648 HE21 GLN 85 HE21 GLN 85 -20.219 -11.350 17.013 649 HE22 GLN 85 HE22 GLN 85 -20.167 -10.485 15.518 650 H GLU 86 H GLU 86 -17.238 -11.026 17.478 651 HA GLU 86 HA GLU 86 -15.509 -11.495 19.735 652 HB2 GLU 86 HB2 GLU 86 -15.950 -9.063 20.238 653 HB3 GLU 86 HB3 GLU 86 -15.074 -9.447 18.781 654 HG2 GLU 86 HG2 GLU 86 -16.534 -7.731 18.228 655 HG3 GLU 86 HG3 GLU 86 -17.234 -9.198 17.543 656 H GLN 87 H GLN 87 -17.028 -9.579 21.403 657 HA GLN 87 HA GLN 87 -18.378 -11.629 22.906 658 HB2 GLN 87 HB2 GLN 87 -16.788 -10.247 24.041 659 HB3 GLN 87 HB3 GLN 87 -17.587 -8.784 23.489 660 HG2 GLN 87 HG2 GLN 87 -18.018 -9.200 25.831 661 HG3 GLN 87 HG3 GLN 87 -19.502 -9.282 24.887 662 HE21 GLN 87 HE21 GLN 87 -17.116 -11.136 26.638 663 HE22 GLN 87 HE22 GLN 87 -18.085 -12.554 26.828 664 H LEU 88 H LEU 88 -19.210 -8.340 21.793 665 HA LEU 88 HA LEU 88 -21.814 -8.452 22.882 666 HB2 LEU 88 HB2 LEU 88 -20.501 -6.567 20.955 667 HB3 LEU 88 HB3 LEU 88 -22.175 -6.369 21.459 668 HG LEU 88 HG LEU 88 -19.777 -6.378 23.288 669 HD11 LEU 88 HD11 LEU 88 -20.209 -3.979 23.501 670 HD12 LEU 88 HD12 LEU 88 -21.464 -4.104 22.268 671 HD13 LEU 88 HD13 LEU 88 -19.782 -4.430 21.851 672 HD21 LEU 88 HD21 LEU 88 -21.386 -5.527 24.952 673 HD22 LEU 88 HD22 LEU 88 -21.759 -7.164 24.424 674 HD23 LEU 88 HD23 LEU 88 -22.692 -5.802 23.801 675 H GLY 89 H GLY 89 -20.603 -9.055 19.634 676 HA2 GLY 89 HA2 GLY 89 -23.370 -9.712 18.832 677 HA3 GLY 89 HA3 GLY 89 -22.038 -9.394 17.731 678 H GLY 90 H GLY 90 -20.953 -11.268 20.236 679 HA2 GLY 90 HA2 GLY 90 -20.709 -13.552 18.506 680 HA3 GLY 90 HA3 GLY 90 -20.055 -13.387 20.129 Start of MODEL 3 1 H MET 1 H MET 1 20.794 -3.148 -19.835 2 HA MET 1 HA MET 1 19.750 -1.048 -19.321 3 HB2 MET 1 HB2 MET 1 21.878 -1.022 -20.530 4 HB3 MET 1 HB3 MET 1 21.024 -1.142 -22.060 5 HG2 MET 1 HG2 MET 1 19.989 1.045 -21.643 6 HG3 MET 1 HG3 MET 1 20.883 1.167 -20.129 7 HE1 MET 1 HE1 MET 1 20.988 1.340 -24.005 8 HE2 MET 1 HE2 MET 1 21.948 -0.116 -23.739 9 HE3 MET 1 HE3 MET 1 22.716 1.344 -24.360 10 H ALA 2 H ALA 2 17.572 -0.809 -19.292 11 HA ALA 2 HA ALA 2 16.388 0.154 -21.780 12 HB1 ALA 2 HB1 ALA 2 15.041 -1.873 -19.994 13 HB2 ALA 2 HB2 ALA 2 15.711 -2.197 -21.593 14 HB3 ALA 2 HB3 ALA 2 14.334 -1.109 -21.417 15 H ASP 3 H ASP 3 15.436 2.030 -21.456 16 HA ASP 3 HA ASP 3 15.035 2.995 -18.756 17 HB2 ASP 3 HB2 ASP 3 16.029 4.457 -20.494 18 HB3 ASP 3 HB3 ASP 3 14.536 4.354 -21.417 19 H ASP 4 H ASP 4 13.271 2.330 -17.771 20 HA ASP 4 HA ASP 4 11.017 1.241 -19.028 21 HB2 ASP 4 HB2 ASP 4 11.657 0.676 -16.753 22 HB3 ASP 4 HB3 ASP 4 11.332 2.323 -16.229 23 H ALA 5 H ALA 5 11.421 4.413 -17.473 24 HA ALA 5 HA ALA 5 10.269 6.369 -17.615 25 HB1 ALA 5 HB1 ALA 5 9.708 5.424 -20.424 26 HB2 ALA 5 HB2 ALA 5 11.182 6.230 -19.895 27 HB3 ALA 5 HB3 ALA 5 9.643 7.089 -19.846 28 H ALA 6 H ALA 6 8.709 3.975 -16.731 29 HA ALA 6 HA ALA 6 6.044 4.991 -17.390 30 HB1 ALA 6 HB1 ALA 6 6.829 2.106 -17.000 31 HB2 ALA 6 HB2 ALA 6 6.393 2.866 -18.529 32 HB3 ALA 6 HB3 ALA 6 5.188 2.698 -17.253 33 H GLN 7 H GLN 7 4.695 5.283 -15.723 34 HA GLN 7 HA GLN 7 5.565 4.397 -13.065 35 HB2 GLN 7 HB2 GLN 7 4.566 7.140 -13.823 36 HB3 GLN 7 HB3 GLN 7 4.834 6.595 -12.172 37 HG2 GLN 7 HG2 GLN 7 7.218 6.335 -12.668 38 HG3 GLN 7 HG3 GLN 7 6.928 6.896 -14.314 39 HE21 GLN 7 HE21 GLN 7 8.209 8.692 -14.148 40 HE22 GLN 7 HE22 GLN 7 7.812 10.049 -13.156 41 H ALA 8 H ALA 8 3.868 3.902 -11.644 42 HA ALA 8 HA ALA 8 1.428 3.134 -12.890 43 HB1 ALA 8 HB1 ALA 8 2.422 1.861 -11.033 44 HB2 ALA 8 HB2 ALA 8 0.769 2.363 -10.677 45 HB3 ALA 8 HB3 ALA 8 2.126 3.224 -9.952 46 H GLY 9 H GLY 9 2.556 5.927 -11.227 47 HA2 GLY 9 HA2 GLY 9 1.557 8.000 -11.036 48 HA3 GLY 9 HA3 GLY 9 0.106 7.344 -11.792 49 H ASP 10 H ASP 10 1.371 5.570 -9.257 50 HA ASP 10 HA ASP 10 -0.486 6.755 -7.326 51 HB2 ASP 10 HB2 ASP 10 -1.579 4.802 -8.333 52 HB3 ASP 10 HB3 ASP 10 -0.185 3.808 -7.926 53 H ASN 11 H ASN 11 1.085 7.621 -6.058 54 HA ASN 11 HA ASN 11 3.107 5.786 -5.019 55 HB2 ASN 11 HB2 ASN 11 3.917 7.938 -6.047 56 HB3 ASN 11 HB3 ASN 11 3.038 8.807 -4.793 57 HD21 ASN 11 HD21 ASN 11 5.778 6.866 -5.547 58 HD22 ASN 11 HD22 ASN 11 6.614 7.059 -4.050 59 H ALA 12 H ALA 12 2.191 4.804 -3.366 60 HA ALA 12 HA ALA 12 1.205 6.375 -1.169 61 HB1 ALA 12 HB1 ALA 12 -0.786 6.052 -2.533 62 HB2 ALA 12 HB2 ALA 12 -0.884 5.161 -1.009 63 HB3 ALA 12 HB3 ALA 12 -0.515 4.307 -2.509 64 H GLU 13 H GLU 13 1.053 5.147 0.747 65 HA GLU 13 HA GLU 13 2.513 2.634 0.545 66 HB2 GLU 13 HB2 GLU 13 2.882 4.797 2.586 67 HB3 GLU 13 HB3 GLU 13 3.726 3.247 2.579 68 HG2 GLU 13 HG2 GLU 13 4.735 3.807 0.441 69 HG3 GLU 13 HG3 GLU 13 3.867 5.340 0.433 70 H TYR 14 H TYR 14 -0.120 2.630 0.563 71 HA TYR 14 HA TYR 14 -0.725 1.559 3.224 72 HB2 TYR 14 HB2 TYR 14 -2.655 2.849 1.299 73 HB3 TYR 14 HB3 TYR 14 -3.108 1.986 2.760 74 HD1 TYR 14 HD1 TYR 14 -1.703 5.060 1.416 75 HD2 TYR 14 HD2 TYR 14 -2.674 2.931 4.958 76 HE1 TYR 14 HE1 TYR 14 -1.561 7.154 2.712 77 HE2 TYR 14 HE2 TYR 14 -2.530 5.007 6.263 78 HH TYR 14 HH TYR 14 -1.440 7.221 6.083 79 H ILE 15 H ILE 15 -2.212 -0.211 3.239 80 HA ILE 15 HA ILE 15 -1.998 -1.874 0.820 81 HB ILE 15 HB ILE 15 -1.540 -3.783 2.191 82 HG12 ILE 15 HG12 ILE 15 -1.993 -1.953 4.549 83 HG13 ILE 15 HG13 ILE 15 -3.023 -3.281 3.999 84 HG21 ILE 15 HG21 ILE 15 0.141 -1.492 3.139 85 HG22 ILE 15 HG22 ILE 15 0.394 -2.439 1.672 86 HG23 ILE 15 HG23 ILE 15 0.563 -3.200 3.256 87 HD11 ILE 15 HD11 ILE 15 -1.336 -4.878 4.557 88 HD12 ILE 15 HD12 ILE 15 -1.689 -3.855 5.959 89 HD13 ILE 15 HD13 ILE 15 -0.220 -3.589 5.019 90 H LYS 16 H LYS 16 -3.622 -3.542 0.789 91 HA LYS 16 HA LYS 16 -6.131 -2.648 1.971 92 HB2 LYS 16 HB2 LYS 16 -5.512 -4.625 -0.183 93 HB3 LYS 16 HB3 LYS 16 -7.147 -4.263 0.370 94 HG2 LYS 16 HG2 LYS 16 -6.789 -1.917 -0.272 95 HG3 LYS 16 HG3 LYS 16 -5.209 -2.377 -0.918 96 HD2 LYS 16 HD2 LYS 16 -7.820 -3.551 -1.860 97 HD3 LYS 16 HD3 LYS 16 -7.006 -2.198 -2.648 98 HE2 LYS 16 HE2 LYS 16 -5.836 -4.943 -2.230 99 HE3 LYS 16 HE3 LYS 16 -6.524 -4.353 -3.738 100 HZ1 LYS 16 HZ1 LYS 16 -4.130 -3.218 -2.361 101 HZ2 LYS 16 HZ2 LYS 16 -4.802 -2.650 -3.806 102 HZ3 LYS 16 HZ3 LYS 16 -4.125 -4.189 -3.745 103 H ILE 17 H ILE 17 -7.339 -3.940 3.248 104 HA ILE 17 HA ILE 17 -6.166 -6.513 4.063 105 HB ILE 17 HB ILE 17 -7.413 -4.429 5.849 106 HG12 ILE 17 HG12 ILE 17 -5.081 -3.975 5.275 107 HG13 ILE 17 HG13 ILE 17 -5.239 -4.405 6.976 108 HG21 ILE 17 HG21 ILE 17 -7.189 -5.918 7.683 109 HG22 ILE 17 HG22 ILE 17 -6.399 -7.134 6.677 110 HG23 ILE 17 HG23 ILE 17 -8.100 -6.744 6.420 111 HD11 ILE 17 HD11 ILE 17 -4.256 -6.194 4.760 112 HD12 ILE 17 HD12 ILE 17 -4.467 -6.678 6.441 113 HD13 ILE 17 HD13 ILE 17 -3.283 -5.441 6.022 114 H LYS 18 H LYS 18 -7.518 -8.195 3.939 115 HA LYS 18 HA LYS 18 -10.354 -7.563 3.618 116 HB2 LYS 18 HB2 LYS 18 -9.263 -10.353 3.509 117 HB3 LYS 18 HB3 LYS 18 -10.690 -9.692 2.748 118 HG2 LYS 18 HG2 LYS 18 -9.075 -8.359 1.257 119 HG3 LYS 18 HG3 LYS 18 -7.839 -9.451 1.888 120 HD2 LYS 18 HD2 LYS 18 -10.382 -10.314 0.520 121 HD3 LYS 18 HD3 LYS 18 -8.783 -10.264 -0.223 122 HE2 LYS 18 HE2 LYS 18 -7.970 -11.921 1.348 123 HE3 LYS 18 HE3 LYS 18 -9.519 -11.919 2.189 124 HZ1 LYS 18 HZ1 LYS 18 -10.579 -12.822 0.283 125 HZ2 LYS 18 HZ2 LYS 18 -9.236 -13.795 0.632 126 HZ3 LYS 18 HZ3 LYS 18 -9.173 -12.699 -0.649 127 H VAL 19 H VAL 19 -11.205 -7.249 5.556 128 HA VAL 19 HA VAL 19 -10.458 -8.838 7.818 129 HB VAL 19 HB VAL 19 -12.674 -6.810 7.415 130 HG11 VAL 19 HG11 VAL 19 -12.903 -6.795 9.829 131 HG12 VAL 19 HG12 VAL 19 -11.672 -8.053 9.964 132 HG13 VAL 19 HG13 VAL 19 -13.213 -8.407 9.182 133 HG21 VAL 19 HG21 VAL 19 -10.000 -6.559 8.787 134 HG22 VAL 19 HG22 VAL 19 -11.249 -5.315 8.740 135 HG23 VAL 19 HG23 VAL 19 -10.453 -5.824 7.250 136 H VAL 20 H VAL 20 -11.157 -10.868 7.910 137 HA VAL 20 HA VAL 20 -13.789 -11.488 6.780 138 HB VAL 20 HB VAL 20 -11.491 -13.362 7.399 139 HG11 VAL 20 HG11 VAL 20 -13.651 -14.459 7.605 140 HG12 VAL 20 HG12 VAL 20 -12.798 -15.037 6.174 141 HG13 VAL 20 HG13 VAL 20 -14.117 -13.878 6.007 142 HG21 VAL 20 HG21 VAL 20 -10.960 -11.908 5.518 143 HG22 VAL 20 HG22 VAL 20 -12.485 -12.332 4.741 144 HG23 VAL 20 HG23 VAL 20 -11.240 -13.560 4.964 145 H GLY 21 H GLY 21 -15.314 -11.687 8.195 146 HA2 GLY 21 HA2 GLY 21 -14.629 -12.285 10.982 147 HA3 GLY 21 HA3 GLY 21 -16.187 -11.706 10.403 148 H GLN 22 H GLN 22 -16.040 -13.788 12.176 149 HA GLN 22 HA GLN 22 -16.048 -16.298 10.878 150 HB2 GLN 22 HB2 GLN 22 -17.143 -15.412 13.537 151 HB3 GLN 22 HB3 GLN 22 -17.219 -17.076 12.979 152 HG2 GLN 22 HG2 GLN 22 -14.808 -17.191 12.878 153 HG3 GLN 22 HG3 GLN 22 -14.686 -15.488 13.304 154 HE21 GLN 22 HE21 GLN 22 -13.623 -17.864 14.598 155 HE22 GLN 22 HE22 GLN 22 -14.224 -17.843 16.221 156 H ASP 23 H ASP 23 -18.332 -13.840 11.298 157 HA ASP 23 HA ASP 23 -20.678 -15.294 10.602 158 HB2 ASP 23 HB2 ASP 23 -20.685 -13.068 11.729 159 HB3 ASP 23 HB3 ASP 23 -20.071 -12.341 10.249 160 H SER 24 H SER 24 -17.998 -15.126 8.904 161 HA SER 24 HA SER 24 -17.393 -15.512 6.754 162 HB2 SER 24 HB2 SER 24 -20.372 -15.601 6.180 163 HB3 SER 24 HB3 SER 24 -19.097 -16.141 5.087 164 HG SER 24 HG SER 24 -18.825 -17.304 7.518 165 H ASN 25 H ASN 25 -17.925 -12.881 7.900 166 HA ASN 25 HA ASN 25 -18.714 -11.296 5.563 167 HB2 ASN 25 HB2 ASN 25 -19.717 -10.738 7.741 168 HB3 ASN 25 HB3 ASN 25 -18.122 -10.370 8.383 169 HD21 ASN 25 HD21 ASN 25 -20.343 -8.608 8.276 170 HD22 ASN 25 HD22 ASN 25 -19.916 -7.274 7.269 171 H GLU 26 H GLU 26 -17.122 -11.040 4.222 172 HA GLU 26 HA GLU 26 -14.476 -10.251 5.211 173 HB2 GLU 26 HB2 GLU 26 -14.299 -12.110 3.757 174 HB3 GLU 26 HB3 GLU 26 -15.396 -11.398 2.577 175 HG2 GLU 26 HG2 GLU 26 -13.635 -9.625 2.225 176 HG3 GLU 26 HG3 GLU 26 -12.570 -10.606 3.229 177 H VAL 27 H VAL 27 -13.896 -8.197 5.033 178 HA VAL 27 HA VAL 27 -15.143 -6.523 2.982 179 HB VAL 27 HB VAL 27 -16.466 -6.151 4.999 180 HG11 VAL 27 HG11 VAL 27 -15.466 -5.214 7.020 181 HG12 VAL 27 HG12 VAL 27 -13.865 -5.392 6.296 182 HG13 VAL 27 HG13 VAL 27 -14.835 -6.823 6.656 183 HG21 VAL 27 HG21 VAL 27 -14.630 -3.832 4.397 184 HG22 VAL 27 HG22 VAL 27 -16.185 -3.716 5.223 185 HG23 VAL 27 HG23 VAL 27 -16.117 -4.237 3.539 186 H HIS 28 H HIS 28 -13.913 -4.949 2.152 187 HA HIS 28 HA HIS 28 -11.079 -5.171 2.696 188 HB2 HIS 28 HB2 HIS 28 -12.629 -3.773 0.531 189 HB3 HIS 28 HB3 HIS 28 -10.880 -3.674 0.678 190 HD2 HIS 28 HD2 HIS 28 -10.932 -7.116 1.393 191 HE1 HIS 28 HE1 HIS 28 -11.801 -7.137 -2.753 192 HE2 HIS 28 HE2 HIS 28 -10.677 -8.338 -0.875 193 H PHE 29 H PHE 29 -10.193 -3.945 4.100 194 HA PHE 29 HA PHE 29 -10.904 -1.090 4.176 195 HB2 PHE 29 HB2 PHE 29 -9.806 -2.884 6.321 196 HB3 PHE 29 HB3 PHE 29 -9.717 -1.139 6.425 197 HD1 PHE 29 HD1 PHE 29 -11.767 -4.051 6.914 198 HD2 PHE 29 HD2 PHE 29 -11.840 0.175 6.458 199 HE1 PHE 29 HE1 PHE 29 -14.004 -3.984 7.889 200 HE2 PHE 29 HE2 PHE 29 -14.087 0.244 7.440 201 HZ PHE 29 HZ PHE 29 -15.168 -1.845 8.159 202 H ARG 30 H ARG 30 -9.236 0.377 3.984 203 HA ARG 30 HA ARG 30 -6.683 -0.847 3.273 204 HB2 ARG 30 HB2 ARG 30 -7.620 0.421 1.435 205 HB3 ARG 30 HB3 ARG 30 -7.770 1.845 2.456 206 HG2 ARG 30 HG2 ARG 30 -5.430 2.124 2.583 207 HG3 ARG 30 HG3 ARG 30 -5.133 0.529 1.893 208 HD2 ARG 30 HD2 ARG 30 -4.719 2.261 0.263 209 HD3 ARG 30 HD3 ARG 30 -6.087 1.263 -0.215 210 HE ARG 30 HE ARG 30 -6.996 3.532 1.193 211 HH11 ARG 30 HH11 ARG 30 -5.621 2.609 -1.892 212 HH12 ARG 30 HH12 ARG 30 -6.382 3.887 -2.773 213 HH21 ARG 30 HH21 ARG 30 -8.031 5.247 0.021 214 HH22 ARG 30 HH22 ARG 30 -7.748 5.393 -1.678 215 H VAL 31 H VAL 31 -5.073 -0.626 4.505 216 HA VAL 31 HA VAL 31 -4.895 1.570 6.432 217 HB VAL 31 HB VAL 31 -4.234 0.057 8.234 218 HG11 VAL 31 HG11 VAL 31 -6.565 0.703 8.145 219 HG12 VAL 31 HG12 VAL 31 -6.423 -0.953 8.734 220 HG13 VAL 31 HG13 VAL 31 -6.925 -0.649 7.070 221 HG21 VAL 31 HG21 VAL 31 -4.950 -2.170 6.335 222 HG22 VAL 31 HG22 VAL 31 -4.561 -2.370 8.043 223 HG23 VAL 31 HG23 VAL 31 -3.335 -1.776 6.923 224 H LYS 32 H LYS 32 -2.627 1.337 7.520 225 HA LYS 32 HA LYS 32 -0.782 1.116 5.284 226 HB2 LYS 32 HB2 LYS 32 -0.940 3.079 6.995 227 HB3 LYS 32 HB3 LYS 32 -0.037 2.006 8.045 228 HG2 LYS 32 HG2 LYS 32 1.765 1.877 6.444 229 HG3 LYS 32 HG3 LYS 32 0.865 2.877 5.311 230 HD2 LYS 32 HD2 LYS 32 0.849 4.682 7.044 231 HD3 LYS 32 HD3 LYS 32 1.942 3.680 8.001 232 HE2 LYS 32 HE2 LYS 32 2.510 4.651 5.198 233 HE3 LYS 32 HE3 LYS 32 3.114 5.419 6.665 234 HZ1 LYS 32 HZ1 LYS 32 4.779 3.975 5.729 235 HZ2 LYS 32 HZ2 LYS 32 3.724 2.661 5.747 236 HZ3 LYS 32 HZ3 LYS 32 4.250 3.339 7.202 237 H TYR 33 H TYR 33 1.266 -0.031 5.571 238 HA TYR 33 HA TYR 33 1.136 -2.634 6.486 239 HB2 TYR 33 HB2 TYR 33 3.535 -0.806 6.327 240 HB3 TYR 33 HB3 TYR 33 3.654 -2.536 6.594 241 HD1 TYR 33 HD1 TYR 33 2.932 0.109 4.158 242 HD2 TYR 33 HD2 TYR 33 3.332 -4.084 4.765 243 HE1 TYR 33 HE1 TYR 33 3.077 -0.223 1.727 244 HE2 TYR 33 HE2 TYR 33 3.471 -4.430 2.334 245 HH TYR 33 HH TYR 33 3.834 -1.788 0.126 246 H GLY 34 H GLY 34 2.217 0.270 8.212 247 HA2 GLY 34 HA2 GLY 34 2.729 -1.293 10.629 248 HA3 GLY 34 HA3 GLY 34 3.235 0.364 10.342 249 H THR 35 H THR 35 -0.011 -0.530 9.557 250 HA THR 35 HA THR 35 -1.096 1.403 11.208 251 HB THR 35 HB THR 35 -2.062 -0.632 9.364 252 HG1 THR 35 HG1 THR 35 -2.379 2.064 9.900 253 HG21 THR 35 HG21 THR 35 -3.899 0.287 11.578 254 HG22 THR 35 HG22 THR 35 -3.342 -1.365 11.302 255 HG23 THR 35 HG23 THR 35 -4.402 -0.583 10.126 256 H SER 36 H SER 36 -2.227 1.313 13.127 257 HA SER 36 HA SER 36 -1.534 -0.905 14.863 258 HB2 SER 36 HB2 SER 36 -2.770 1.790 15.450 259 HB3 SER 36 HB3 SER 36 -2.333 0.591 16.668 260 HG SER 36 HG SER 36 -0.191 0.818 15.277 261 H MET 37 H MET 37 -3.098 -2.015 16.104 262 HA MET 37 HA MET 37 -5.275 -3.022 14.778 263 HB2 MET 37 HB2 MET 37 -6.005 -3.987 16.857 264 HB3 MET 37 HB3 MET 37 -4.248 -3.997 16.820 265 HG2 MET 37 HG2 MET 37 -4.168 -2.072 18.275 266 HG3 MET 37 HG3 MET 37 -5.924 -1.955 18.260 267 HE1 MET 37 HE1 MET 37 -5.194 -3.062 21.919 268 HE2 MET 37 HE2 MET 37 -5.990 -1.882 20.880 269 HE3 MET 37 HE3 MET 37 -4.230 -1.970 20.927 270 H ALA 38 H ALA 38 -5.193 -0.155 16.757 271 HA ALA 38 HA ALA 38 -7.919 0.136 17.265 272 HB1 ALA 38 HB1 ALA 38 -7.420 2.448 17.773 273 HB2 ALA 38 HB2 ALA 38 -5.849 2.301 16.985 274 HB3 ALA 38 HB3 ALA 38 -6.188 1.384 18.454 275 H LYS 39 H LYS 39 -5.984 1.054 14.487 276 HA LYS 39 HA LYS 39 -7.764 2.931 13.383 277 HB2 LYS 39 HB2 LYS 39 -5.816 1.126 11.924 278 HB3 LYS 39 HB3 LYS 39 -6.537 2.597 11.295 279 HG2 LYS 39 HG2 LYS 39 -4.646 2.435 13.637 280 HG3 LYS 39 HG3 LYS 39 -4.248 2.991 12.011 281 HD2 LYS 39 HD2 LYS 39 -5.843 4.829 12.258 282 HD3 LYS 39 HD3 LYS 39 -6.237 4.264 13.885 283 HE2 LYS 39 HE2 LYS 39 -3.904 4.621 14.557 284 HE3 LYS 39 HE3 LYS 39 -3.536 5.220 12.940 285 HZ1 LYS 39 HZ1 LYS 39 -5.092 7.023 13.292 286 HZ2 LYS 39 HZ2 LYS 39 -3.916 7.021 14.508 287 HZ3 LYS 39 HZ3 LYS 39 -5.467 6.442 14.834 288 H LEU 40 H LEU 40 -7.507 -0.554 13.037 289 HA LEU 40 HA LEU 40 -9.683 -0.601 11.126 290 HB2 LEU 40 HB2 LEU 40 -9.341 -3.110 11.211 291 HB3 LEU 40 HB3 LEU 40 -8.063 -2.145 10.517 292 HG LEU 40 HG LEU 40 -7.831 -2.946 13.404 293 HD11 LEU 40 HD11 LEU 40 -8.485 -5.004 12.246 294 HD12 LEU 40 HD12 LEU 40 -6.791 -5.051 12.732 295 HD13 LEU 40 HD13 LEU 40 -7.218 -4.738 11.049 296 HD21 LEU 40 HD21 LEU 40 -5.454 -3.014 12.787 297 HD22 LEU 40 HD22 LEU 40 -6.174 -1.450 12.402 298 HD23 LEU 40 HD23 LEU 40 -5.878 -2.622 11.122 299 H LYS 41 H LYS 41 -9.064 -1.714 14.418 300 HA LYS 41 HA LYS 41 -11.511 -3.047 14.804 301 HB2 LYS 41 HB2 LYS 41 -9.594 -1.747 16.710 302 HB3 LYS 41 HB3 LYS 41 -10.977 -2.697 17.226 303 HG2 LYS 41 HG2 LYS 41 -10.102 -4.660 16.271 304 HG3 LYS 41 HG3 LYS 41 -8.846 -3.764 15.413 305 HD2 LYS 41 HD2 LYS 41 -7.866 -4.815 17.308 306 HD3 LYS 41 HD3 LYS 41 -7.937 -3.071 17.572 307 HE2 LYS 41 HE2 LYS 41 -9.920 -3.344 18.972 308 HE3 LYS 41 HE3 LYS 41 -9.904 -5.082 18.681 309 HZ1 LYS 41 HZ1 LYS 41 -7.750 -5.194 19.789 310 HZ2 LYS 41 HZ2 LYS 41 -8.932 -4.551 20.811 311 HZ3 LYS 41 HZ3 LYS 41 -7.802 -3.528 20.084 312 H LYS 42 H LYS 42 -10.508 0.216 15.627 313 HA LYS 42 HA LYS 42 -12.951 1.009 16.761 314 HB2 LYS 42 HB2 LYS 42 -10.852 2.305 16.975 315 HB3 LYS 42 HB3 LYS 42 -10.954 2.720 15.272 316 HG2 LYS 42 HG2 LYS 42 -13.014 3.937 15.673 317 HG3 LYS 42 HG3 LYS 42 -12.965 3.493 17.376 318 HD2 LYS 42 HD2 LYS 42 -12.100 5.701 17.236 319 HD3 LYS 42 HD3 LYS 42 -10.713 4.644 17.474 320 HE2 LYS 42 HE2 LYS 42 -10.158 6.252 15.783 321 HE3 LYS 42 HE3 LYS 42 -10.336 4.673 15.018 322 HZ1 LYS 42 HZ1 LYS 42 -12.540 5.304 14.281 323 HZ2 LYS 42 HZ2 LYS 42 -11.419 6.444 13.744 324 HZ3 LYS 42 HZ3 LYS 42 -12.418 6.795 15.059 325 H SER 43 H SER 43 -11.739 1.006 13.498 326 HA SER 43 HA SER 43 -13.877 2.453 12.339 327 HB2 SER 43 HB2 SER 43 -11.705 2.244 11.230 328 HB3 SER 43 HB3 SER 43 -11.908 0.504 11.094 329 HG SER 43 HG SER 43 -12.469 1.523 9.152 330 H TYR 44 H TYR 44 -13.165 -1.039 12.468 331 HA TYR 44 HA TYR 44 -15.501 -1.858 11.117 332 HB2 TYR 44 HB2 TYR 44 -13.429 -3.192 11.371 333 HB3 TYR 44 HB3 TYR 44 -13.841 -3.422 13.064 334 HD1 TYR 44 HD1 TYR 44 -14.582 -4.413 9.640 335 HD2 TYR 44 HD2 TYR 44 -15.751 -4.804 13.703 336 HE1 TYR 44 HE1 TYR 44 -15.948 -6.371 9.045 337 HE2 TYR 44 HE2 TYR 44 -17.114 -6.770 13.135 338 HH TYR 44 HH TYR 44 -16.897 -8.331 10.089 339 H ALA 45 H ALA 45 -14.701 -1.703 14.543 340 HA ALA 45 HA ALA 45 -17.064 -2.825 15.498 341 HB1 ALA 45 HB1 ALA 45 -15.360 -0.702 16.798 342 HB2 ALA 45 HB2 ALA 45 -15.112 -2.444 16.914 343 HB3 ALA 45 HB3 ALA 45 -16.554 -1.710 17.616 344 H ASP 46 H ASP 46 -16.259 0.354 14.441 345 HA ASP 46 HA ASP 46 -18.553 1.692 15.478 346 HB2 ASP 46 HB2 ASP 46 -16.563 2.928 14.858 347 HB3 ASP 46 HB3 ASP 46 -16.781 2.473 13.172 348 H ARG 47 H ARG 47 -17.814 0.346 12.290 349 HA ARG 47 HA ARG 47 -20.197 1.212 11.040 350 HB2 ARG 47 HB2 ARG 47 -19.605 -0.237 9.222 351 HB3 ARG 47 HB3 ARG 47 -18.129 0.481 9.851 352 HG2 ARG 47 HG2 ARG 47 -17.726 -1.596 11.133 353 HG3 ARG 47 HG3 ARG 47 -19.134 -2.306 10.346 354 HD2 ARG 47 HD2 ARG 47 -16.731 -1.217 8.918 355 HD3 ARG 47 HD3 ARG 47 -16.977 -2.920 9.305 356 HE ARG 47 HE ARG 47 -18.861 -2.913 7.802 357 HH11 ARG 47 HH11 ARG 47 -16.776 -0.079 7.598 358 HH12 ARG 47 HH12 ARG 47 -17.221 0.276 5.971 359 HH21 ARG 47 HH21 ARG 47 -19.460 -2.427 5.676 360 HH22 ARG 47 HH22 ARG 47 -18.790 -1.049 4.874 361 H THR 48 H THR 48 -19.474 -1.489 13.066 362 HA THR 48 HA THR 48 -21.999 -2.760 12.372 363 HB THR 48 HB THR 48 -20.088 -4.263 12.451 364 HG1 THR 48 HG1 THR 48 -20.968 -5.810 13.908 365 HG21 THR 48 HG21 THR 48 -18.947 -4.751 14.610 366 HG22 THR 48 HG22 THR 48 -19.777 -3.363 15.317 367 HG23 THR 48 HG23 THR 48 -18.630 -3.128 13.997 368 H GLY 49 H GLY 49 -20.916 -0.469 14.522 369 HA2 GLY 49 HA2 GLY 49 -21.997 0.579 16.263 370 HA3 GLY 49 HA3 GLY 49 -23.377 -0.465 15.963 371 H VAL 50 H VAL 50 -20.160 -1.589 16.668 372 HA VAL 50 HA VAL 50 -21.153 -2.685 19.209 373 HB VAL 50 HB VAL 50 -19.203 -3.919 17.249 374 HG11 VAL 50 HG11 VAL 50 -19.124 -5.826 18.783 375 HG12 VAL 50 HG12 VAL 50 -20.078 -4.917 19.954 376 HG13 VAL 50 HG13 VAL 50 -18.461 -4.366 19.511 377 HG21 VAL 50 HG21 VAL 50 -21.565 -4.121 16.621 378 HG22 VAL 50 HG22 VAL 50 -21.914 -4.853 18.187 379 HG23 VAL 50 HG23 VAL 50 -20.863 -5.683 17.039 380 H ALA 51 H ALA 51 -19.715 -2.769 20.948 381 HA ALA 51 HA ALA 51 -17.974 -0.681 21.396 382 HB1 ALA 51 HB1 ALA 51 -18.912 -2.104 23.167 383 HB2 ALA 51 HB2 ALA 51 -17.156 -1.993 23.299 384 HB3 ALA 51 HB3 ALA 51 -17.900 -3.446 22.626 385 H VAL 52 H VAL 52 -15.855 -0.324 21.050 386 HA VAL 52 HA VAL 52 -14.502 -1.658 18.983 387 HB VAL 52 HB VAL 52 -13.453 0.226 21.107 388 HG11 VAL 52 HG11 VAL 52 -11.490 0.540 19.661 389 HG12 VAL 52 HG12 VAL 52 -12.076 -0.748 18.606 390 HG13 VAL 52 HG13 VAL 52 -11.613 -1.112 20.270 391 HG21 VAL 52 HG21 VAL 52 -13.486 1.872 19.256 392 HG22 VAL 52 HG22 VAL 52 -15.086 1.256 19.662 393 HG23 VAL 52 HG23 VAL 52 -14.252 0.656 18.232 394 H ASN 53 H ASN 53 -14.208 -1.819 22.478 395 HA ASN 53 HA ASN 53 -12.023 -3.619 22.517 396 HB2 ASN 53 HB2 ASN 53 -14.080 -2.883 24.589 397 HB3 ASN 53 HB3 ASN 53 -12.787 -4.034 24.909 398 HD21 ASN 53 HD21 ASN 53 -13.293 -1.511 26.181 399 HD22 ASN 53 HD22 ASN 53 -11.889 -0.533 25.928 400 H SER 54 H SER 54 -15.425 -4.050 22.064 401 HA SER 54 HA SER 54 -15.479 -6.825 22.771 402 HB2 SER 54 HB2 SER 54 -17.407 -5.123 21.187 403 HB3 SER 54 HB3 SER 54 -17.702 -6.807 21.609 404 HG SER 54 HG SER 54 -16.983 -5.076 23.665 405 H LEU 55 H LEU 55 -14.424 -5.064 20.065 406 HA LEU 55 HA LEU 55 -14.582 -7.394 18.320 407 HB2 LEU 55 HB2 LEU 55 -14.200 -4.507 17.913 408 HB3 LEU 55 HB3 LEU 55 -13.239 -5.533 16.870 409 HG LEU 55 HG LEU 55 -15.226 -4.942 15.717 410 HD11 LEU 55 HD11 LEU 55 -14.427 -7.228 15.402 411 HD12 LEU 55 HD12 LEU 55 -16.172 -7.095 15.191 412 HD13 LEU 55 HD13 LEU 55 -15.517 -7.780 16.677 413 HD21 LEU 55 HD21 LEU 55 -16.622 -4.334 17.598 414 HD22 LEU 55 HD22 LEU 55 -16.742 -6.026 18.078 415 HD23 LEU 55 HD23 LEU 55 -17.460 -5.487 16.559 416 H ARG 56 H ARG 56 -12.909 -8.595 17.770 417 HA ARG 56 HA ARG 56 -10.241 -7.700 18.550 418 HB2 ARG 56 HB2 ARG 56 -11.301 -10.485 19.100 419 HB3 ARG 56 HB3 ARG 56 -9.646 -9.954 19.357 420 HG2 ARG 56 HG2 ARG 56 -10.440 -9.780 21.484 421 HG3 ARG 56 HG3 ARG 56 -10.839 -8.163 20.899 422 HD2 ARG 56 HD2 ARG 56 -12.751 -9.048 22.046 423 HD3 ARG 56 HD3 ARG 56 -13.112 -9.004 20.319 424 HE ARG 56 HE ARG 56 -12.049 -11.513 21.294 425 HH11 ARG 56 HH11 ARG 56 -14.936 -9.652 20.592 426 HH12 ARG 56 HH12 ARG 56 -15.938 -11.068 20.469 427 HH21 ARG 56 HH21 ARG 56 -13.395 -13.346 21.160 428 HH22 ARG 56 HH22 ARG 56 -15.079 -13.155 20.816 429 H PHE 57 H PHE 57 -8.881 -7.853 16.979 430 HA PHE 57 HA PHE 57 -9.597 -9.496 14.653 431 HB2 PHE 57 HB2 PHE 57 -7.982 -6.961 14.928 432 HB3 PHE 57 HB3 PHE 57 -7.983 -7.946 13.468 433 HD1 PHE 57 HD1 PHE 57 -10.495 -6.472 15.806 434 HD2 PHE 57 HD2 PHE 57 -9.353 -7.256 11.800 435 HE1 PHE 57 HE1 PHE 57 -12.486 -5.271 15.007 436 HE2 PHE 57 HE2 PHE 57 -11.339 -6.066 10.995 437 HZ PHE 57 HZ PHE 57 -12.907 -5.077 12.597 438 H LEU 58 H LEU 58 -8.223 -10.992 13.938 439 HA LEU 58 HA LEU 58 -5.651 -11.233 15.337 440 HB2 LEU 58 HB2 LEU 58 -7.766 -13.277 14.901 441 HB3 LEU 58 HB3 LEU 58 -6.101 -13.802 14.857 442 HG LEU 58 HG LEU 58 -5.943 -12.575 17.147 443 HD11 LEU 58 HD11 LEU 58 -8.859 -13.163 17.079 444 HD12 LEU 58 HD12 LEU 58 -8.143 -11.553 17.026 445 HD13 LEU 58 HD13 LEU 58 -7.931 -12.572 18.454 446 HD21 LEU 58 HD21 LEU 58 -5.613 -14.945 16.827 447 HD22 LEU 58 HD22 LEU 58 -7.353 -15.211 16.846 448 HD23 LEU 58 HD23 LEU 58 -6.534 -14.633 18.296 449 H PHE 59 H PHE 59 -3.932 -12.039 14.231 450 HA PHE 59 HA PHE 59 -4.285 -12.513 11.348 451 HB2 PHE 59 HB2 PHE 59 -3.224 -10.230 11.906 452 HB3 PHE 59 HB3 PHE 59 -1.877 -11.140 12.567 453 HD1 PHE 59 HD1 PHE 59 -3.440 -9.925 9.558 454 HD2 PHE 59 HD2 PHE 59 -0.537 -12.638 11.076 455 HE1 PHE 59 HE1 PHE 59 -2.476 -10.148 7.305 456 HE2 PHE 59 HE2 PHE 59 0.440 -12.859 8.830 457 HZ PHE 59 HZ PHE 59 -0.530 -11.613 6.940 458 H ASP 60 H ASP 60 -3.406 -14.428 10.760 459 HA ASP 60 HA ASP 60 -2.282 -16.429 10.872 460 HB2 ASP 60 HB2 ASP 60 -0.354 -14.818 10.838 461 HB3 ASP 60 HB3 ASP 60 -0.301 -14.901 12.589 462 H GLY 61 H GLY 61 -4.230 -15.642 12.939 463 HA2 GLY 61 HA2 GLY 61 -5.264 -16.835 14.619 464 HA3 GLY 61 HA3 GLY 61 -3.888 -17.937 14.639 465 H ARG 62 H ARG 62 -3.129 -14.601 14.892 466 HA ARG 62 HA ARG 62 -3.116 -14.830 17.795 467 HB2 ARG 62 HB2 ARG 62 -0.888 -13.906 17.942 468 HB3 ARG 62 HB3 ARG 62 -0.904 -15.352 16.948 469 HG2 ARG 62 HG2 ARG 62 0.579 -13.899 15.878 470 HG3 ARG 62 HG3 ARG 62 -0.909 -13.803 14.940 471 HD2 ARG 62 HD2 ARG 62 -1.217 -11.637 15.432 472 HD3 ARG 62 HD3 ARG 62 -0.739 -11.853 17.116 473 HE ARG 62 HE ARG 62 1.436 -11.965 15.231 474 HH11 ARG 62 HH11 ARG 62 -0.548 -9.894 17.244 475 HH12 ARG 62 HH12 ARG 62 0.649 -8.648 17.369 476 HH21 ARG 62 HH21 ARG 62 3.058 -10.326 15.438 477 HH22 ARG 62 HH22 ARG 62 2.698 -8.909 16.372 478 H ARG 63 H ARG 63 -3.126 -12.834 18.952 479 HA ARG 63 HA ARG 63 -5.045 -11.068 17.850 480 HB2 ARG 63 HB2 ARG 63 -3.469 -11.083 20.411 481 HB3 ARG 63 HB3 ARG 63 -4.573 -9.780 20.012 482 HG2 ARG 63 HG2 ARG 63 -5.639 -11.382 21.484 483 HG3 ARG 63 HG3 ARG 63 -6.423 -11.386 19.905 484 HD2 ARG 63 HD2 ARG 63 -6.130 -13.657 20.791 485 HD3 ARG 63 HD3 ARG 63 -5.230 -13.412 19.297 486 HE ARG 63 HE ARG 63 -3.628 -12.904 21.595 487 HH11 ARG 63 HH11 ARG 63 -4.932 -15.507 19.625 488 HH12 ARG 63 HH12 ARG 63 -3.668 -16.613 20.033 489 HH21 ARG 63 HH21 ARG 63 -1.966 -14.371 22.125 490 HH22 ARG 63 HH22 ARG 63 -1.976 -15.967 21.454 491 H ILE 64 H ILE 64 -4.871 -9.146 16.956 492 HA ILE 64 HA ILE 64 -2.222 -8.084 16.322 493 HB ILE 64 HB ILE 64 -4.998 -7.118 15.538 494 HG12 ILE 64 HG12 ILE 64 -2.961 -8.602 13.867 495 HG13 ILE 64 HG13 ILE 64 -4.332 -9.367 14.662 496 HG21 ILE 64 HG21 ILE 64 -3.333 -5.300 15.488 497 HG22 ILE 64 HG22 ILE 64 -3.886 -5.710 13.867 498 HG23 ILE 64 HG23 ILE 64 -2.313 -6.271 14.430 499 HD11 ILE 64 HD11 ILE 64 -4.824 -8.989 12.339 500 HD12 ILE 64 HD12 ILE 64 -4.448 -7.273 12.506 501 HD13 ILE 64 HD13 ILE 64 -5.846 -7.956 13.337 502 H ASN 65 H ASN 65 -1.256 -6.747 17.658 503 HA ASN 65 HA ASN 65 -2.899 -5.096 19.445 504 HB2 ASN 65 HB2 ASN 65 -0.033 -6.024 19.694 505 HB3 ASN 65 HB3 ASN 65 -0.791 -4.877 20.788 506 HD21 ASN 65 HD21 ASN 65 -2.411 -5.595 22.176 507 HD22 ASN 65 HD22 ASN 65 -2.609 -7.268 22.561 508 H ASP 66 H ASP 66 -2.260 -2.924 19.815 509 HA ASP 66 HA ASP 66 -1.584 -1.537 17.423 510 HB2 ASP 66 HB2 ASP 66 -1.712 0.498 18.814 511 HB3 ASP 66 HB3 ASP 66 -3.103 -0.548 19.070 512 H ASP 67 H ASP 67 0.305 -3.021 19.756 513 HA ASP 67 HA ASP 67 2.550 -1.246 19.618 514 HB2 ASP 67 HB2 ASP 67 2.210 -4.003 20.796 515 HB3 ASP 67 HB3 ASP 67 3.599 -2.960 21.014 516 H ASP 68 H ASP 68 1.285 -3.882 17.806 517 HA ASP 68 HA ASP 68 3.720 -5.114 17.077 518 HB2 ASP 68 HB2 ASP 68 0.968 -5.250 15.909 519 HB3 ASP 68 HB3 ASP 68 2.329 -6.140 15.231 520 H THR 69 H THR 69 4.822 -5.178 15.188 521 HA THR 69 HA THR 69 4.885 -2.667 13.708 522 HB THR 69 HB THR 69 7.104 -3.607 12.909 523 HG1 THR 69 HG1 THR 69 7.055 -5.423 15.027 524 HG21 THR 69 HG21 THR 69 8.265 -3.218 15.047 525 HG22 THR 69 HG22 THR 69 6.722 -3.330 15.897 526 HG23 THR 69 HG23 THR 69 7.011 -2.013 14.762 527 HA PRO 70 HA PRO 70 3.270 -4.265 9.902 528 HB2 PRO 70 HB2 PRO 70 5.261 -3.673 8.072 529 HB3 PRO 70 HB3 PRO 70 4.052 -2.523 8.652 530 HG2 PRO 70 HG2 PRO 70 6.871 -2.934 9.576 531 HG3 PRO 70 HG3 PRO 70 5.996 -1.417 9.290 532 HD2 PRO 70 HD2 PRO 70 6.342 -2.322 11.760 533 HD3 PRO 70 HD3 PRO 70 4.797 -1.594 11.281 534 H LYS 71 H LYS 71 6.611 -5.182 10.601 535 HA LYS 71 HA LYS 71 6.813 -7.297 8.730 536 HB2 LYS 71 HB2 LYS 71 8.707 -7.949 10.217 537 HB3 LYS 71 HB3 LYS 71 8.767 -6.313 9.565 538 HG2 LYS 71 HG2 LYS 71 8.182 -5.346 11.564 539 HG3 LYS 71 HG3 LYS 71 7.520 -6.844 12.203 540 HD2 LYS 71 HD2 LYS 71 10.360 -6.321 11.618 541 HD3 LYS 71 HD3 LYS 71 9.561 -6.185 13.198 542 HE2 LYS 71 HE2 LYS 71 8.870 -8.582 12.948 543 HE3 LYS 71 HE3 LYS 71 9.915 -8.676 11.537 544 HZ1 LYS 71 HZ1 LYS 71 11.809 -8.138 12.911 545 HZ2 LYS 71 HZ2 LYS 71 11.019 -9.495 13.537 546 HZ3 LYS 71 HZ3 LYS 71 10.822 -7.986 14.274 547 H THR 72 H THR 72 5.862 -7.138 12.135 548 HA THR 72 HA THR 72 5.722 -9.994 12.362 549 HB THR 72 HB THR 72 6.439 -8.595 14.304 550 HG1 THR 72 HG1 THR 72 5.559 -10.731 14.567 551 HG21 THR 72 HG21 THR 72 4.870 -6.752 14.070 552 HG22 THR 72 HG22 THR 72 4.688 -7.511 15.654 553 HG23 THR 72 HG23 THR 72 3.519 -7.842 14.376 554 H LEU 73 H LEU 73 3.561 -7.335 11.838 555 HA LEU 73 HA LEU 73 1.198 -8.900 12.096 556 HB2 LEU 73 HB2 LEU 73 1.683 -6.283 10.671 557 HB3 LEU 73 HB3 LEU 73 0.107 -7.032 10.883 558 HG LEU 73 HG LEU 73 1.885 -6.134 13.146 559 HD11 LEU 73 HD11 LEU 73 0.341 -4.295 13.426 560 HD12 LEU 73 HD12 LEU 73 -0.593 -4.835 12.034 561 HD13 LEU 73 HD13 LEU 73 1.054 -4.246 11.814 562 HD21 LEU 73 HD21 LEU 73 -0.954 -7.148 13.071 563 HD22 LEU 73 HD22 LEU 73 -0.159 -6.465 14.489 564 HD23 LEU 73 HD23 LEU 73 0.440 -7.964 13.782 565 H GLU 74 H GLU 74 3.620 -8.438 9.724 566 HA GLU 74 HA GLU 74 4.017 -9.331 7.683 567 HB2 GLU 74 HB2 GLU 74 2.125 -11.311 8.840 568 HB3 GLU 74 HB3 GLU 74 3.095 -11.626 7.398 569 HG2 GLU 74 HG2 GLU 74 5.105 -11.361 8.791 570 HG3 GLU 74 HG3 GLU 74 4.069 -11.098 10.194 571 H MET 75 H MET 75 1.735 -7.451 7.850 572 HA MET 75 HA MET 75 -0.273 -8.530 6.067 573 HB2 MET 75 HB2 MET 75 0.015 -5.739 7.176 574 HB3 MET 75 HB3 MET 75 -1.366 -6.357 6.279 575 HG2 MET 75 HG2 MET 75 -1.698 -8.032 8.078 576 HG3 MET 75 HG3 MET 75 -0.418 -7.240 8.986 577 HE1 MET 75 HE1 MET 75 -0.893 -4.143 8.377 578 HE2 MET 75 HE2 MET 75 -0.547 -4.831 9.962 579 HE3 MET 75 HE3 MET 75 -1.912 -3.732 9.757 580 H GLU 76 H GLU 76 -0.793 -7.740 4.040 581 HA GLU 76 HA GLU 76 0.846 -5.758 2.775 582 HB2 GLU 76 HB2 GLU 76 1.446 -7.179 0.857 583 HB3 GLU 76 HB3 GLU 76 2.187 -7.749 2.341 584 HG2 GLU 76 HG2 GLU 76 0.569 -9.526 2.508 585 HG3 GLU 76 HG3 GLU 76 -0.286 -8.914 1.091 586 H ASP 77 H ASP 77 0.004 -5.915 0.237 587 HA ASP 77 HA ASP 77 -2.565 -4.890 0.433 588 HB2 ASP 77 HB2 ASP 77 -0.781 -5.558 -1.805 589 HB3 ASP 77 HB3 ASP 77 -2.497 -5.438 -2.188 590 H ASP 78 H ASP 78 -4.355 -5.728 0.796 591 HA ASP 78 HA ASP 78 -6.214 -6.958 0.743 592 HB2 ASP 78 HB2 ASP 78 -5.831 -6.745 -1.733 593 HB3 ASP 78 HB3 ASP 78 -5.099 -8.345 -1.688 594 H ASP 79 H ASP 79 -4.012 -7.767 2.334 595 HA ASP 79 HA ASP 79 -3.892 -10.637 2.260 596 HB2 ASP 79 HB2 ASP 79 -2.172 -8.913 3.312 597 HB3 ASP 79 HB3 ASP 79 -3.195 -9.122 4.734 598 H VAL 80 H VAL 80 -4.347 -11.601 4.641 599 HA VAL 80 HA VAL 80 -7.224 -11.117 4.924 600 HB VAL 80 HB VAL 80 -7.373 -13.486 5.677 601 HG11 VAL 80 HG11 VAL 80 -6.184 -12.978 2.956 602 HG12 VAL 80 HG12 VAL 80 -7.891 -12.899 3.390 603 HG13 VAL 80 HG13 VAL 80 -7.044 -14.447 3.421 604 HG21 VAL 80 HG21 VAL 80 -5.100 -13.817 6.445 605 HG22 VAL 80 HG22 VAL 80 -4.479 -13.528 4.822 606 HG23 VAL 80 HG23 VAL 80 -5.449 -14.970 5.151 607 H ILE 81 H ILE 81 -8.101 -10.838 6.826 608 HA ILE 81 HA ILE 81 -6.510 -11.172 9.235 609 HB ILE 81 HB ILE 81 -7.642 -8.672 8.180 610 HG12 ILE 81 HG12 ILE 81 -5.514 -9.314 10.226 611 HG13 ILE 81 HG13 ILE 81 -5.261 -8.993 8.516 612 HG21 ILE 81 HG21 ILE 81 -9.296 -8.908 9.841 613 HG22 ILE 81 HG22 ILE 81 -8.120 -7.722 10.410 614 HG23 ILE 81 HG23 ILE 81 -8.105 -9.364 11.066 615 HD11 ILE 81 HD11 ILE 81 -4.680 -7.103 9.984 616 HD12 ILE 81 HD12 ILE 81 -6.370 -7.001 10.480 617 HD13 ILE 81 HD13 ILE 81 -5.921 -6.707 8.802 618 H GLU 82 H GLU 82 -7.568 -12.005 10.932 619 HA GLU 82 HA GLU 82 -10.236 -13.047 10.330 620 HB2 GLU 82 HB2 GLU 82 -8.255 -13.867 12.442 621 HB3 GLU 82 HB3 GLU 82 -9.756 -14.694 12.051 622 HG2 GLU 82 HG2 GLU 82 -8.921 -15.222 9.839 623 HG3 GLU 82 HG3 GLU 82 -7.431 -14.345 10.175 624 H VAL 83 H VAL 83 -11.936 -12.811 11.700 625 HA VAL 83 HA VAL 83 -11.548 -11.087 14.043 626 HB VAL 83 HB VAL 83 -13.817 -10.885 12.056 627 HG11 VAL 83 HG11 VAL 83 -14.638 -9.039 13.440 628 HG12 VAL 83 HG12 VAL 83 -13.364 -9.356 14.617 629 HG13 VAL 83 HG13 VAL 83 -14.626 -10.556 14.340 630 HG21 VAL 83 HG21 VAL 83 -11.746 -9.854 11.319 631 HG22 VAL 83 HG22 VAL 83 -11.676 -8.931 12.824 632 HG23 VAL 83 HG23 VAL 83 -12.982 -8.648 11.672 633 H TYR 84 H TYR 84 -12.496 -11.737 15.836 634 HA TYR 84 HA TYR 84 -14.131 -14.143 15.732 635 HB2 TYR 84 HB2 TYR 84 -12.520 -12.830 17.912 636 HB3 TYR 84 HB3 TYR 84 -13.689 -14.100 18.258 637 HD1 TYR 84 HD1 TYR 84 -10.552 -13.366 16.356 638 HD2 TYR 84 HD2 TYR 84 -13.161 -16.361 17.905 639 HE1 TYR 84 HE1 TYR 84 -8.906 -15.078 15.813 640 HE2 TYR 84 HE2 TYR 84 -11.488 -18.088 17.367 641 HH TYR 84 HH TYR 84 -9.555 -18.316 15.695 642 H GLN 85 H GLN 85 -16.024 -14.237 17.208 643 HA GLN 85 HA GLN 85 -17.702 -12.083 16.433 644 HB2 GLN 85 HB2 GLN 85 -18.321 -14.559 16.757 645 HB3 GLN 85 HB3 GLN 85 -18.469 -14.160 18.465 646 HG2 GLN 85 HG2 GLN 85 -20.635 -14.029 17.501 647 HG3 GLN 85 HG3 GLN 85 -20.098 -12.381 17.831 648 HE21 GLN 85 HE21 GLN 85 -21.315 -11.370 16.286 649 HE22 GLN 85 HE22 GLN 85 -21.091 -11.598 14.590 650 H GLU 86 H GLU 86 -18.485 -10.396 17.511 651 HA GLU 86 HA GLU 86 -16.968 -9.384 19.655 652 HB2 GLU 86 HB2 GLU 86 -18.358 -7.449 19.515 653 HB3 GLU 86 HB3 GLU 86 -17.966 -8.003 17.896 654 HG2 GLU 86 HG2 GLU 86 -20.539 -8.675 19.284 655 HG3 GLU 86 HG3 GLU 86 -20.350 -7.255 18.260 656 H GLN 87 H GLN 87 -17.781 -8.536 21.702 657 HA GLN 87 HA GLN 87 -19.017 -10.563 23.236 658 HB2 GLN 87 HB2 GLN 87 -18.319 -7.706 23.874 659 HB3 GLN 87 HB3 GLN 87 -18.706 -8.959 25.030 660 HG2 GLN 87 HG2 GLN 87 -16.366 -8.922 23.187 661 HG3 GLN 87 HG3 GLN 87 -16.335 -8.529 24.903 662 HE21 GLN 87 HE21 GLN 87 -14.874 -10.599 23.488 663 HE22 GLN 87 HE22 GLN 87 -15.318 -12.106 24.210 664 H LEU 88 H LEU 88 -19.842 -7.285 22.304 665 HA LEU 88 HA LEU 88 -22.298 -7.140 23.657 666 HB2 LEU 88 HB2 LEU 88 -20.962 -5.218 23.033 667 HB3 LEU 88 HB3 LEU 88 -21.205 -5.577 21.343 668 HG LEU 88 HG LEU 88 -23.620 -5.117 21.589 669 HD11 LEU 88 HD11 LEU 88 -22.864 -4.328 24.397 670 HD12 LEU 88 HD12 LEU 88 -23.900 -5.676 23.925 671 HD13 LEU 88 HD13 LEU 88 -24.420 -4.018 23.629 672 HD21 LEU 88 HD21 LEU 88 -21.800 -2.900 22.518 673 HD22 LEU 88 HD22 LEU 88 -23.420 -2.687 21.854 674 HD23 LEU 88 HD23 LEU 88 -22.134 -3.348 20.846 675 H GLY 89 H GLY 89 -21.457 -7.888 20.333 676 HA2 GLY 89 HA2 GLY 89 -24.094 -7.958 19.320 677 HA3 GLY 89 HA3 GLY 89 -22.689 -8.694 18.569 678 H GLY 90 H GLY 90 -22.014 -10.532 20.599 679 HA2 GLY 90 HA2 GLY 90 -24.402 -12.266 20.575 680 HA3 GLY 90 HA3 GLY 90 -22.783 -12.865 20.248 Start of MODEL 4 1 H MET 1 H MET 1 -7.222 -8.162 -8.658 2 HA MET 1 HA MET 1 -7.084 -5.213 -8.726 3 HB2 MET 1 HB2 MET 1 -5.013 -7.339 -9.293 4 HB3 MET 1 HB3 MET 1 -4.825 -5.655 -9.752 5 HG2 MET 1 HG2 MET 1 -5.080 -5.054 -7.342 6 HG3 MET 1 HG3 MET 1 -5.035 -6.775 -6.972 7 HE1 MET 1 HE1 MET 1 -1.440 -7.818 -7.947 8 HE2 MET 1 HE2 MET 1 -2.924 -7.998 -8.883 9 HE3 MET 1 HE3 MET 1 -2.938 -8.287 -7.144 10 H ALA 2 H ALA 2 -6.048 -4.729 -11.081 11 HA ALA 2 HA ALA 2 -6.596 -4.428 -13.249 12 HB1 ALA 2 HB1 ALA 2 -5.684 -6.696 -13.440 13 HB2 ALA 2 HB2 ALA 2 -6.971 -6.411 -14.614 14 HB3 ALA 2 HB3 ALA 2 -7.292 -7.363 -13.162 15 H ASP 3 H ASP 3 -8.508 -3.834 -11.320 16 HA ASP 3 HA ASP 3 -10.926 -3.982 -12.913 17 HB2 ASP 3 HB2 ASP 3 -12.294 -4.756 -11.115 18 HB3 ASP 3 HB3 ASP 3 -10.925 -5.858 -11.232 19 H ASP 4 H ASP 4 -12.659 -2.679 -11.481 20 HA ASP 4 HA ASP 4 -11.796 -0.004 -11.520 21 HB2 ASP 4 HB2 ASP 4 -14.249 -1.283 -10.399 22 HB3 ASP 4 HB3 ASP 4 -13.999 0.459 -10.436 23 H ALA 5 H ALA 5 -12.181 -2.287 -8.858 24 HA ALA 5 HA ALA 5 -11.867 -0.294 -6.834 25 HB1 ALA 5 HB1 ALA 5 -11.769 -2.158 -5.268 26 HB2 ALA 5 HB2 ALA 5 -11.610 -3.291 -6.610 27 HB3 ALA 5 HB3 ALA 5 -13.101 -2.372 -6.404 28 H ALA 6 H ALA 6 -9.796 -1.535 -8.994 29 HA ALA 6 HA ALA 6 -7.460 -1.716 -7.282 30 HB1 ALA 6 HB1 ALA 6 -6.203 -2.079 -9.346 31 HB2 ALA 6 HB2 ALA 6 -7.630 -1.673 -10.300 32 HB3 ALA 6 HB3 ALA 6 -7.623 -3.124 -9.297 33 H GLN 7 H GLN 7 -6.467 0.022 -6.546 34 HA GLN 7 HA GLN 7 -6.127 2.347 -8.226 35 HB2 GLN 7 HB2 GLN 7 -7.045 3.870 -6.558 36 HB3 GLN 7 HB3 GLN 7 -8.268 2.737 -7.112 37 HG2 GLN 7 HG2 GLN 7 -8.001 1.423 -5.084 38 HG3 GLN 7 HG3 GLN 7 -6.739 2.519 -4.526 39 HE21 GLN 7 HE21 GLN 7 -9.302 1.821 -3.301 40 HE22 GLN 7 HE22 GLN 7 -10.147 3.311 -3.096 41 H ALA 8 H ALA 8 -4.570 3.854 -7.317 42 HA ALA 8 HA ALA 8 -2.422 2.523 -5.986 43 HB1 ALA 8 HB1 ALA 8 -1.265 4.651 -6.158 44 HB2 ALA 8 HB2 ALA 8 -2.769 5.453 -6.611 45 HB3 ALA 8 HB3 ALA 8 -2.048 4.254 -7.687 46 H GLY 9 H GLY 9 -5.098 4.431 -5.053 47 HA2 GLY 9 HA2 GLY 9 -5.927 4.367 -2.821 48 HA3 GLY 9 HA3 GLY 9 -4.269 4.200 -2.257 49 H ASP 10 H ASP 10 -3.535 6.314 -4.272 50 HA ASP 10 HA ASP 10 -3.052 8.557 -4.225 51 HB2 ASP 10 HB2 ASP 10 -5.470 8.600 -4.853 52 HB3 ASP 10 HB3 ASP 10 -5.874 8.778 -3.153 53 H ASN 11 H ASN 11 -2.124 7.132 -2.088 54 HA ASN 11 HA ASN 11 -1.858 9.124 -0.053 55 HB2 ASN 11 HB2 ASN 11 -4.014 7.847 0.510 56 HB3 ASN 11 HB3 ASN 11 -2.991 6.445 0.791 57 HD21 ASN 11 HD21 ASN 11 -3.625 6.364 2.952 58 HD22 ASN 11 HD22 ASN 11 -3.043 7.498 4.113 59 H ALA 12 H ALA 12 0.266 9.042 -0.525 60 HA ALA 12 HA ALA 12 1.663 6.550 -0.822 61 HB1 ALA 12 HB1 ALA 12 3.565 7.895 -1.394 62 HB2 ALA 12 HB2 ALA 12 2.744 9.348 -0.814 63 HB3 ALA 12 HB3 ALA 12 2.124 8.488 -2.224 64 H GLU 13 H GLU 13 3.649 6.081 0.301 65 HA GLU 13 HA GLU 13 4.886 5.617 2.099 66 HB2 GLU 13 HB2 GLU 13 3.598 8.047 3.291 67 HB3 GLU 13 HB3 GLU 13 4.955 7.187 4.008 68 HG2 GLU 13 HG2 GLU 13 6.323 7.758 2.065 69 HG3 GLU 13 HG3 GLU 13 4.954 8.611 1.357 70 H TYR 14 H TYR 14 2.369 4.651 1.593 71 HA TYR 14 HA TYR 14 1.737 3.544 4.215 72 HB2 TYR 14 HB2 TYR 14 -0.287 4.501 2.185 73 HB3 TYR 14 HB3 TYR 14 -0.686 3.414 3.511 74 HD1 TYR 14 HD1 TYR 14 0.347 6.818 2.643 75 HD2 TYR 14 HD2 TYR 14 -0.828 4.204 5.762 76 HE1 TYR 14 HE1 TYR 14 0.043 8.752 4.144 77 HE2 TYR 14 HE2 TYR 14 -1.145 6.115 7.268 78 HH TYR 14 HH TYR 14 -1.261 9.293 6.211 79 H ILE 15 H ILE 15 0.625 1.476 4.052 80 HA ILE 15 HA ILE 15 1.603 -0.011 1.707 81 HB ILE 15 HB ILE 15 2.168 -1.841 3.135 82 HG12 ILE 15 HG12 ILE 15 0.861 -0.275 5.347 83 HG13 ILE 15 HG13 ILE 15 0.244 -1.725 4.546 84 HG21 ILE 15 HG21 ILE 15 3.817 -0.899 4.641 85 HG22 ILE 15 HG22 ILE 15 3.070 0.689 4.456 86 HG23 ILE 15 HG23 ILE 15 3.831 -0.095 3.072 87 HD11 ILE 15 HD11 ILE 15 2.761 -1.593 6.191 88 HD12 ILE 15 HD12 ILE 15 2.057 -3.033 5.442 89 HD13 ILE 15 HD13 ILE 15 1.201 -2.202 6.748 90 H LYS 16 H LYS 16 0.376 -1.987 1.352 91 HA LYS 16 HA LYS 16 -2.438 -1.561 1.967 92 HB2 LYS 16 HB2 LYS 16 -1.564 -1.789 -0.374 93 HB3 LYS 16 HB3 LYS 16 -1.272 -3.473 0.002 94 HG2 LYS 16 HG2 LYS 16 -3.564 -3.881 0.430 95 HG3 LYS 16 HG3 LYS 16 -3.966 -2.155 0.176 96 HD2 LYS 16 HD2 LYS 16 -2.798 -4.039 -1.881 97 HD3 LYS 16 HD3 LYS 16 -4.508 -3.632 -1.753 98 HE2 LYS 16 HE2 LYS 16 -3.968 -1.280 -2.156 99 HE3 LYS 16 HE3 LYS 16 -2.261 -1.697 -2.294 100 HZ1 LYS 16 HZ1 LYS 16 -4.417 -2.715 -4.061 101 HZ2 LYS 16 HZ2 LYS 16 -2.776 -3.067 -4.197 102 HZ3 LYS 16 HZ3 LYS 16 -3.319 -1.491 -4.458 103 H ILE 17 H ILE 17 -3.662 -3.090 2.886 104 HA ILE 17 HA ILE 17 -2.354 -5.551 3.808 105 HB ILE 17 HB ILE 17 -4.207 -3.769 5.383 106 HG12 ILE 17 HG12 ILE 17 -1.870 -3.056 5.387 107 HG13 ILE 17 HG13 ILE 17 -2.358 -3.629 6.978 108 HG21 ILE 17 HG21 ILE 17 -4.260 -5.384 7.118 109 HG22 ILE 17 HG22 ILE 17 -3.100 -6.417 6.282 110 HG23 ILE 17 HG23 ILE 17 -4.723 -6.201 5.626 111 HD11 ILE 17 HD11 ILE 17 -0.129 -4.388 6.445 112 HD12 ILE 17 HD12 ILE 17 -0.708 -5.136 4.958 113 HD13 ILE 17 HD13 ILE 17 -1.228 -5.765 6.523 114 H LYS 18 H LYS 18 -3.408 -7.355 3.316 115 HA LYS 18 HA LYS 18 -6.162 -7.062 2.358 116 HB2 LYS 18 HB2 LYS 18 -4.727 -9.677 2.207 117 HB3 LYS 18 HB3 LYS 18 -5.886 -8.974 1.111 118 HG2 LYS 18 HG2 LYS 18 -4.078 -7.348 0.351 119 HG3 LYS 18 HG3 LYS 18 -2.963 -8.310 1.319 120 HD2 LYS 18 HD2 LYS 18 -4.684 -9.441 -0.879 121 HD3 LYS 18 HD3 LYS 18 -3.006 -8.936 -1.087 122 HE2 LYS 18 HE2 LYS 18 -2.296 -10.554 0.581 123 HE3 LYS 18 HE3 LYS 18 -3.969 -11.033 0.848 124 HZ1 LYS 18 HZ1 LYS 18 -2.548 -11.293 -1.743 125 HZ2 LYS 18 HZ2 LYS 18 -4.087 -11.885 -1.370 126 HZ3 LYS 18 HZ3 LYS 18 -2.724 -12.543 -0.621 127 H VAL 19 H VAL 19 -7.460 -7.141 4.058 128 HA VAL 19 HA VAL 19 -6.959 -8.804 6.341 129 HB VAL 19 HB VAL 19 -9.334 -7.100 5.558 130 HG11 VAL 19 HG11 VAL 19 -8.686 -8.337 8.217 131 HG12 VAL 19 HG12 VAL 19 -9.935 -8.893 7.105 132 HG13 VAL 19 HG13 VAL 19 -10.064 -7.299 7.847 133 HG21 VAL 19 HG21 VAL 19 -8.465 -5.509 7.203 134 HG22 VAL 19 HG22 VAL 19 -7.315 -5.788 5.895 135 HG23 VAL 19 HG23 VAL 19 -7.065 -6.549 7.467 136 H VAL 20 H VAL 20 -7.476 -10.912 6.348 137 HA VAL 20 HA VAL 20 -9.690 -11.794 4.617 138 HB VAL 20 HB VAL 20 -7.358 -13.429 5.643 139 HG11 VAL 20 HG11 VAL 20 -9.382 -14.749 5.313 140 HG12 VAL 20 HG12 VAL 20 -8.156 -15.161 4.116 141 HG13 VAL 20 HG13 VAL 20 -9.521 -14.140 3.664 142 HG21 VAL 20 HG21 VAL 20 -6.560 -13.435 3.328 143 HG22 VAL 20 HG22 VAL 20 -6.618 -11.801 3.990 144 HG23 VAL 20 HG23 VAL 20 -7.869 -12.345 2.874 145 H GLY 21 H GLY 21 -11.441 -12.299 5.681 146 HA2 GLY 21 HA2 GLY 21 -11.286 -12.865 8.552 147 HA3 GLY 21 HA3 GLY 21 -12.755 -12.552 7.640 148 H GLN 22 H GLN 22 -12.988 -14.513 9.334 149 HA GLN 22 HA GLN 22 -12.120 -17.050 8.477 150 HB2 GLN 22 HB2 GLN 22 -14.403 -16.247 10.276 151 HB3 GLN 22 HB3 GLN 22 -13.973 -17.923 9.970 152 HG2 GLN 22 HG2 GLN 22 -11.801 -17.587 10.946 153 HG3 GLN 22 HG3 GLN 22 -12.126 -15.867 11.149 154 HE21 GLN 22 HE21 GLN 22 -11.443 -17.862 13.124 155 HE22 GLN 22 HE22 GLN 22 -12.728 -17.860 14.284 156 H ASP 23 H ASP 23 -14.913 -15.149 7.755 157 HA ASP 23 HA ASP 23 -16.338 -17.123 6.273 158 HB2 ASP 23 HB2 ASP 23 -17.356 -15.039 7.194 159 HB3 ASP 23 HB3 ASP 23 -16.420 -14.095 6.046 160 H SER 24 H SER 24 -13.347 -16.213 5.726 161 HA SER 24 HA SER 24 -11.896 -16.118 4.003 162 HB2 SER 24 HB2 SER 24 -14.254 -17.059 2.336 163 HB3 SER 24 HB3 SER 24 -12.570 -17.051 1.811 164 HG SER 24 HG SER 24 -13.885 -18.881 3.292 165 H ASN 25 H ASN 25 -13.528 -13.949 4.855 166 HA ASN 25 HA ASN 25 -14.144 -12.396 2.475 167 HB2 ASN 25 HB2 ASN 25 -15.660 -12.279 4.379 168 HB3 ASN 25 HB3 ASN 25 -14.367 -11.673 5.407 169 HD21 ASN 25 HD21 ASN 25 -16.633 -10.938 2.915 170 HD22 ASN 25 HD22 ASN 25 -16.403 -9.226 2.901 171 H GLU 26 H GLU 26 -12.446 -11.648 1.483 172 HA GLU 26 HA GLU 26 -10.289 -10.447 3.051 173 HB2 GLU 26 HB2 GLU 26 -9.480 -12.174 1.592 174 HB3 GLU 26 HB3 GLU 26 -10.289 -11.452 0.203 175 HG2 GLU 26 HG2 GLU 26 -8.783 -9.492 0.444 176 HG3 GLU 26 HG3 GLU 26 -7.973 -10.323 1.768 177 H VAL 27 H VAL 27 -9.897 -8.381 2.972 178 HA VAL 27 HA VAL 27 -11.043 -6.754 0.837 179 HB VAL 27 HB VAL 27 -12.658 -6.644 2.679 180 HG11 VAL 27 HG11 VAL 27 -11.184 -7.193 4.517 181 HG12 VAL 27 HG12 VAL 27 -12.049 -5.688 4.838 182 HG13 VAL 27 HG13 VAL 27 -10.358 -5.645 4.331 183 HG21 VAL 27 HG21 VAL 27 -12.701 -4.209 3.007 184 HG22 VAL 27 HG22 VAL 27 -12.365 -4.649 1.330 185 HG23 VAL 27 HG23 VAL 27 -11.054 -4.108 2.381 186 H HIS 28 H HIS 28 -9.790 -5.069 0.237 187 HA HIS 28 HA HIS 28 -7.117 -5.083 1.403 188 HB2 HIS 28 HB2 HIS 28 -8.173 -4.067 -1.219 189 HB3 HIS 28 HB3 HIS 28 -6.519 -3.787 -0.683 190 HD2 HIS 28 HD2 HIS 28 -7.478 -7.303 0.274 191 HE1 HIS 28 HE1 HIS 28 -5.716 -7.608 -3.564 192 HE2 HIS 28 HE2 HIS 28 -6.702 -8.873 -1.614 193 H PHE 29 H PHE 29 -6.802 -3.700 2.935 194 HA PHE 29 HA PHE 29 -7.871 -0.987 2.646 195 HB2 PHE 29 HB2 PHE 29 -7.132 -2.575 5.083 196 HB3 PHE 29 HB3 PHE 29 -7.279 -0.828 5.131 197 HD1 PHE 29 HD1 PHE 29 -8.963 -3.835 5.644 198 HD2 PHE 29 HD2 PHE 29 -9.538 0.080 4.084 199 HE1 PHE 29 HE1 PHE 29 -11.386 -4.042 6.002 200 HE2 PHE 29 HE2 PHE 29 -11.960 -0.125 4.438 201 HZ PHE 29 HZ PHE 29 -12.886 -2.187 5.401 202 H ARG 30 H ARG 30 -6.541 0.757 3.047 203 HA ARG 30 HA ARG 30 -3.690 0.190 2.674 204 HB2 ARG 30 HB2 ARG 30 -4.894 1.599 1.017 205 HB3 ARG 30 HB3 ARG 30 -5.191 2.785 2.286 206 HG2 ARG 30 HG2 ARG 30 -3.320 3.641 1.185 207 HG3 ARG 30 HG3 ARG 30 -2.629 2.787 2.548 208 HD2 ARG 30 HD2 ARG 30 -1.943 0.970 1.249 209 HD3 ARG 30 HD3 ARG 30 -2.984 1.420 -0.097 210 HE ARG 30 HE ARG 30 -1.139 3.493 0.343 211 HH11 ARG 30 HH11 ARG 30 -1.168 0.173 -0.766 212 HH12 ARG 30 HH12 ARG 30 0.166 0.378 -1.835 213 HH21 ARG 30 HH21 ARG 30 0.635 3.774 -1.101 214 HH22 ARG 30 HH22 ARG 30 1.187 2.435 -2.041 215 H VAL 31 H VAL 31 -2.422 0.472 4.365 216 HA VAL 31 HA VAL 31 -3.209 2.338 6.492 217 HB VAL 31 HB VAL 31 -2.580 0.781 8.248 218 HG11 VAL 31 HG11 VAL 31 -4.641 -0.389 6.385 219 HG12 VAL 31 HG12 VAL 31 -4.916 0.829 7.632 220 HG13 VAL 31 HG13 VAL 31 -4.449 -0.810 8.088 221 HG21 VAL 31 HG21 VAL 31 -2.189 -1.216 6.035 222 HG22 VAL 31 HG22 VAL 31 -2.174 -1.594 7.758 223 HG23 VAL 31 HG23 VAL 31 -0.936 -0.539 7.074 224 H LYS 32 H LYS 32 -1.301 2.420 8.116 225 HA LYS 32 HA LYS 32 1.032 3.149 6.539 226 HB2 LYS 32 HB2 LYS 32 -0.050 4.604 8.348 227 HB3 LYS 32 HB3 LYS 32 0.606 3.463 9.502 228 HG2 LYS 32 HG2 LYS 32 2.869 3.959 8.702 229 HG3 LYS 32 HG3 LYS 32 2.198 5.153 7.594 230 HD2 LYS 32 HD2 LYS 32 1.818 5.242 10.588 231 HD3 LYS 32 HD3 LYS 32 3.093 6.111 9.737 232 HE2 LYS 32 HE2 LYS 32 0.137 6.461 9.206 233 HE3 LYS 32 HE3 LYS 32 1.086 7.500 10.264 234 HZ1 LYS 32 HZ1 LYS 32 0.784 8.377 7.977 235 HZ2 LYS 32 HZ2 LYS 32 1.707 7.085 7.389 236 HZ3 LYS 32 HZ3 LYS 32 2.400 8.206 8.433 237 H TYR 33 H TYR 33 3.141 2.361 7.072 238 HA TYR 33 HA TYR 33 3.543 -0.311 7.615 239 HB2 TYR 33 HB2 TYR 33 5.382 1.991 8.329 240 HB3 TYR 33 HB3 TYR 33 5.868 0.312 8.227 241 HD1 TYR 33 HD1 TYR 33 4.813 3.259 6.284 242 HD2 TYR 33 HD2 TYR 33 6.377 -0.696 6.109 243 HE1 TYR 33 HE1 TYR 33 5.424 3.614 3.930 244 HE2 TYR 33 HE2 TYR 33 6.987 -0.354 3.748 245 HH TYR 33 HH TYR 33 6.274 1.097 1.851 246 H GLY 34 H GLY 34 3.382 2.428 9.852 247 HA2 GLY 34 HA2 GLY 34 3.614 0.602 12.148 248 HA3 GLY 34 HA3 GLY 34 3.945 2.327 12.194 249 H THR 35 H THR 35 1.142 0.892 10.632 250 HA THR 35 HA THR 35 -0.626 2.588 11.960 251 HB THR 35 HB THR 35 -0.771 0.460 9.976 252 HG1 THR 35 HG1 THR 35 -1.463 3.061 10.296 253 HG21 THR 35 HG21 THR 35 -2.304 -0.581 11.449 254 HG22 THR 35 HG22 THR 35 -3.263 0.233 10.203 255 HG23 THR 35 HG23 THR 35 -3.090 0.950 11.810 256 H SER 36 H SER 36 -1.912 2.357 13.655 257 HA SER 36 HA SER 36 -1.345 0.236 15.535 258 HB2 SER 36 HB2 SER 36 -3.063 2.720 15.735 259 HB3 SER 36 HB3 SER 36 -2.750 1.609 17.070 260 HG SER 36 HG SER 36 -0.700 2.283 17.185 261 H MET 37 H MET 37 -3.058 -1.014 16.541 262 HA MET 37 HA MET 37 -4.651 -2.393 14.779 263 HB2 MET 37 HB2 MET 37 -5.728 -3.417 16.632 264 HB3 MET 37 HB3 MET 37 -4.053 -3.132 17.073 265 HG2 MET 37 HG2 MET 37 -4.702 -1.198 18.378 266 HG3 MET 37 HG3 MET 37 -6.383 -1.414 17.899 267 HE1 MET 37 HE1 MET 37 -7.192 -1.394 20.405 268 HE2 MET 37 HE2 MET 37 -5.532 -1.131 20.942 269 HE3 MET 37 HE3 MET 37 -6.500 -2.413 21.669 270 H ALA 38 H ALA 38 -5.482 0.562 16.441 271 HA ALA 38 HA ALA 38 -8.270 0.423 16.208 272 HB1 ALA 38 HB1 ALA 38 -7.144 2.028 17.664 273 HB2 ALA 38 HB2 ALA 38 -8.269 2.824 16.560 274 HB3 ALA 38 HB3 ALA 38 -6.535 2.883 16.245 275 H LYS 39 H LYS 39 -5.810 1.509 13.955 276 HA LYS 39 HA LYS 39 -7.445 2.926 12.166 277 HB2 LYS 39 HB2 LYS 39 -4.899 1.383 11.715 278 HB3 LYS 39 HB3 LYS 39 -5.636 2.415 10.511 279 HG2 LYS 39 HG2 LYS 39 -4.771 3.409 13.212 280 HG3 LYS 39 HG3 LYS 39 -3.748 3.464 11.784 281 HD2 LYS 39 HD2 LYS 39 -6.473 4.740 11.979 282 HD3 LYS 39 HD3 LYS 39 -4.955 5.589 12.277 283 HE2 LYS 39 HE2 LYS 39 -4.212 5.029 10.021 284 HE3 LYS 39 HE3 LYS 39 -5.741 4.213 9.721 285 HZ1 LYS 39 HZ1 LYS 39 -5.459 7.097 10.368 286 HZ2 LYS 39 HZ2 LYS 39 -6.897 6.290 9.980 287 HZ3 LYS 39 HZ3 LYS 39 -5.689 6.470 8.817 288 H LEU 40 H LEU 40 -6.607 -0.480 12.367 289 HA LEU 40 HA LEU 40 -8.056 -1.057 9.926 290 HB2 LEU 40 HB2 LEU 40 -7.440 -3.464 10.524 291 HB3 LEU 40 HB3 LEU 40 -6.179 -2.375 10.004 292 HG LEU 40 HG LEU 40 -6.612 -2.726 12.960 293 HD11 LEU 40 HD11 LEU 40 -5.154 -4.677 11.178 294 HD12 LEU 40 HD12 LEU 40 -6.643 -5.003 12.067 295 HD13 LEU 40 HD13 LEU 40 -5.148 -4.674 12.941 296 HD21 LEU 40 HD21 LEU 40 -4.213 -2.340 11.165 297 HD22 LEU 40 HD22 LEU 40 -4.151 -2.478 12.917 298 HD23 LEU 40 HD23 LEU 40 -4.974 -1.109 12.170 299 H LYS 41 H LYS 41 -8.326 -1.791 13.360 300 HA LYS 41 HA LYS 41 -10.599 -3.415 13.171 301 HB2 LYS 41 HB2 LYS 41 -9.445 -1.755 15.387 302 HB3 LYS 41 HB3 LYS 41 -10.881 -2.739 15.598 303 HG2 LYS 41 HG2 LYS 41 -9.680 -4.742 15.249 304 HG3 LYS 41 HG3 LYS 41 -8.246 -3.866 14.693 305 HD2 LYS 41 HD2 LYS 41 -7.779 -3.052 16.759 306 HD3 LYS 41 HD3 LYS 41 -9.395 -3.378 17.407 307 HE2 LYS 41 HE2 LYS 41 -7.945 -4.993 18.394 308 HE3 LYS 41 HE3 LYS 41 -8.841 -5.848 17.145 309 HZ1 LYS 41 HZ1 LYS 41 -6.815 -5.400 15.690 310 HZ2 LYS 41 HZ2 LYS 41 -6.652 -6.543 16.925 311 HZ3 LYS 41 HZ3 LYS 41 -6.010 -5.004 17.134 312 H LYS 42 H LYS 42 -10.297 0.034 13.850 313 HA LYS 42 HA LYS 42 -13.059 0.532 14.029 314 HB2 LYS 42 HB2 LYS 42 -11.408 2.174 14.764 315 HB3 LYS 42 HB3 LYS 42 -10.847 2.378 13.111 316 HG2 LYS 42 HG2 LYS 42 -13.060 3.266 12.490 317 HG3 LYS 42 HG3 LYS 42 -13.569 3.110 14.172 318 HD2 LYS 42 HD2 LYS 42 -11.222 4.769 13.259 319 HD3 LYS 42 HD3 LYS 42 -12.842 5.412 13.524 320 HE2 LYS 42 HE2 LYS 42 -11.174 4.015 15.614 321 HE3 LYS 42 HE3 LYS 42 -11.308 5.760 15.440 322 HZ1 LYS 42 HZ1 LYS 42 -13.635 3.977 15.934 323 HZ2 LYS 42 HZ2 LYS 42 -13.613 5.667 15.975 324 HZ3 LYS 42 HZ3 LYS 42 -12.784 4.783 17.151 325 H SER 43 H SER 43 -10.845 0.473 11.335 326 HA SER 43 HA SER 43 -12.581 1.587 9.405 327 HB2 SER 43 HB2 SER 43 -10.153 1.475 9.087 328 HB3 SER 43 HB3 SER 43 -10.223 -0.282 9.044 329 HG SER 43 HG SER 43 -11.325 1.549 7.181 330 H TYR 44 H TYR 44 -11.757 -1.791 10.127 331 HA TYR 44 HA TYR 44 -13.587 -2.881 8.240 332 HB2 TYR 44 HB2 TYR 44 -11.556 -3.988 9.127 333 HB3 TYR 44 HB3 TYR 44 -12.411 -4.196 10.653 334 HD1 TYR 44 HD1 TYR 44 -12.048 -5.372 7.243 335 HD2 TYR 44 HD2 TYR 44 -14.342 -5.683 10.793 336 HE1 TYR 44 HE1 TYR 44 -13.038 -7.443 6.392 337 HE2 TYR 44 HE2 TYR 44 -15.348 -7.768 9.974 338 HH TYR 44 HH TYR 44 -14.135 -9.431 7.227 339 H ALA 45 H ALA 45 -13.699 -2.427 11.739 340 HA ALA 45 HA ALA 45 -16.131 -3.678 12.219 341 HB1 ALA 45 HB1 ALA 45 -14.640 -2.931 14.013 342 HB2 ALA 45 HB2 ALA 45 -16.277 -2.322 14.251 343 HB3 ALA 45 HB3 ALA 45 -15.020 -1.252 13.633 344 H ASP 46 H ASP 46 -15.358 -0.574 10.965 345 HA ASP 46 HA ASP 46 -17.865 0.711 11.187 346 HB2 ASP 46 HB2 ASP 46 -15.785 1.899 10.720 347 HB3 ASP 46 HB3 ASP 46 -15.649 1.091 9.169 348 H ARG 47 H ARG 47 -16.395 -1.161 8.540 349 HA ARG 47 HA ARG 47 -18.571 -0.777 6.750 350 HB2 ARG 47 HB2 ARG 47 -17.482 -2.330 5.279 351 HB3 ARG 47 HB3 ARG 47 -16.231 -1.373 6.062 352 HG2 ARG 47 HG2 ARG 47 -15.751 -3.197 7.589 353 HG3 ARG 47 HG3 ARG 47 -17.030 -4.163 6.856 354 HD2 ARG 47 HD2 ARG 47 -14.620 -3.121 5.373 355 HD3 ARG 47 HD3 ARG 47 -14.733 -4.734 6.074 356 HE ARG 47 HE ARG 47 -16.612 -3.790 4.005 357 HH11 ARG 47 HH11 ARG 47 -14.365 -6.210 5.214 358 HH12 ARG 47 HH12 ARG 47 -14.706 -7.353 3.969 359 HH21 ARG 47 HH21 ARG 47 -17.058 -5.291 2.335 360 HH22 ARG 47 HH22 ARG 47 -16.248 -6.817 2.305 361 H THR 48 H THR 48 -17.957 -3.057 9.280 362 HA THR 48 HA THR 48 -20.103 -4.773 8.303 363 HB THR 48 HB THR 48 -18.099 -5.970 8.916 364 HG1 THR 48 HG1 THR 48 -20.460 -6.331 10.331 365 HG21 THR 48 HG21 THR 48 -17.105 -4.462 10.509 366 HG22 THR 48 HG22 THR 48 -17.326 -6.034 11.281 367 HG23 THR 48 HG23 THR 48 -18.438 -4.711 11.637 368 H GLY 49 H GLY 49 -19.742 -2.192 10.435 369 HA2 GLY 49 HA2 GLY 49 -21.269 -1.197 11.843 370 HA3 GLY 49 HA3 GLY 49 -22.445 -2.406 11.337 371 H VAL 50 H VAL 50 -19.333 -3.018 12.809 372 HA VAL 50 HA VAL 50 -20.700 -4.157 15.150 373 HB VAL 50 HB VAL 50 -18.271 -5.233 13.688 374 HG11 VAL 50 HG11 VAL 50 -17.730 -5.532 15.954 375 HG12 VAL 50 HG12 VAL 50 -18.401 -7.077 15.418 376 HG13 VAL 50 HG13 VAL 50 -19.383 -5.966 16.370 377 HG21 VAL 50 HG21 VAL 50 -20.454 -5.798 12.716 378 HG22 VAL 50 HG22 VAL 50 -20.953 -6.481 14.265 379 HG23 VAL 50 HG23 VAL 50 -19.628 -7.215 13.363 380 H ALA 51 H ALA 51 -19.689 -3.944 17.163 381 HA ALA 51 HA ALA 51 -18.352 -1.615 17.803 382 HB1 ALA 51 HB1 ALA 51 -19.464 -3.050 19.451 383 HB2 ALA 51 HB2 ALA 51 -17.800 -2.716 19.928 384 HB3 ALA 51 HB3 ALA 51 -18.220 -4.281 19.231 385 H VAL 52 H VAL 52 -16.303 -0.970 17.873 386 HA VAL 52 HA VAL 52 -14.415 -2.133 16.164 387 HB VAL 52 HB VAL 52 -14.064 -0.049 18.320 388 HG11 VAL 52 HG11 VAL 52 -11.910 -1.088 17.866 389 HG12 VAL 52 HG12 VAL 52 -11.957 0.553 17.221 390 HG13 VAL 52 HG13 VAL 52 -12.134 -0.825 16.136 391 HG21 VAL 52 HG21 VAL 52 -15.560 0.677 16.597 392 HG22 VAL 52 HG22 VAL 52 -14.450 0.140 15.342 393 HG23 VAL 52 HG23 VAL 52 -14.018 1.504 16.375 394 H ASN 53 H ASN 53 -14.659 -2.173 19.696 395 HA ASN 53 HA ASN 53 -12.241 -3.721 19.966 396 HB2 ASN 53 HB2 ASN 53 -14.356 -2.949 21.981 397 HB3 ASN 53 HB3 ASN 53 -12.968 -3.950 22.384 398 HD21 ASN 53 HD21 ASN 53 -13.641 -1.383 23.460 399 HD22 ASN 53 HD22 ASN 53 -12.331 -0.320 23.093 400 H SER 54 H SER 54 -15.367 -4.448 19.096 401 HA SER 54 HA SER 54 -15.323 -7.162 20.121 402 HB2 SER 54 HB2 SER 54 -17.266 -5.708 18.329 403 HB3 SER 54 HB3 SER 54 -17.458 -7.383 18.830 404 HG SER 54 HG SER 54 -16.995 -5.529 20.853 405 H LEU 55 H LEU 55 -14.080 -5.463 17.537 406 HA LEU 55 HA LEU 55 -14.013 -7.777 15.764 407 HB2 LEU 55 HB2 LEU 55 -14.101 -4.999 15.344 408 HB3 LEU 55 HB3 LEU 55 -12.480 -5.479 14.890 409 HG LEU 55 HG LEU 55 -13.812 -5.493 12.925 410 HD11 LEU 55 HD11 LEU 55 -13.469 -8.337 13.848 411 HD12 LEU 55 HD12 LEU 55 -12.226 -7.330 13.111 412 HD13 LEU 55 HD13 LEU 55 -13.648 -7.797 12.179 413 HD21 LEU 55 HD21 LEU 55 -15.740 -7.257 14.422 414 HD22 LEU 55 HD22 LEU 55 -15.847 -6.847 12.710 415 HD23 LEU 55 HD23 LEU 55 -16.010 -5.585 13.931 416 H ARG 56 H ARG 56 -12.211 -9.000 15.567 417 HA ARG 56 HA ARG 56 -9.862 -8.039 17.015 418 HB2 ARG 56 HB2 ARG 56 -9.410 -10.482 17.590 419 HB3 ARG 56 HB3 ARG 56 -10.681 -9.669 18.483 420 HG2 ARG 56 HG2 ARG 56 -11.367 -11.290 16.069 421 HG3 ARG 56 HG3 ARG 56 -11.025 -12.092 17.600 422 HD2 ARG 56 HD2 ARG 56 -13.173 -10.045 17.042 423 HD3 ARG 56 HD3 ARG 56 -13.402 -11.755 17.408 424 HE ARG 56 HE ARG 56 -12.188 -9.935 19.385 425 HH11 ARG 56 HH11 ARG 56 -14.709 -12.233 18.501 426 HH12 ARG 56 HH12 ARG 56 -15.391 -12.276 20.091 427 HH21 ARG 56 HH21 ARG 56 -13.105 -9.987 21.471 428 HH22 ARG 56 HH22 ARG 56 -14.482 -10.990 21.791 429 H PHE 57 H PHE 57 -8.255 -7.756 15.781 430 HA PHE 57 HA PHE 57 -7.970 -9.365 13.340 431 HB2 PHE 57 HB2 PHE 57 -6.913 -6.668 14.135 432 HB3 PHE 57 HB3 PHE 57 -6.299 -7.563 12.751 433 HD1 PHE 57 HD1 PHE 57 -9.489 -6.319 14.178 434 HD2 PHE 57 HD2 PHE 57 -7.232 -7.262 10.723 435 HE1 PHE 57 HE1 PHE 57 -11.260 -5.374 12.766 436 HE2 PHE 57 HE2 PHE 57 -8.990 -6.330 9.307 437 HZ PHE 57 HZ PHE 57 -11.001 -5.394 10.323 438 H LEU 58 H LEU 58 -6.385 -10.749 13.187 439 HA LEU 58 HA LEU 58 -4.188 -10.530 15.106 440 HB2 LEU 58 HB2 LEU 58 -5.846 -12.875 14.371 441 HB3 LEU 58 HB3 LEU 58 -4.134 -13.149 14.624 442 HG LEU 58 HG LEU 58 -4.435 -12.009 16.872 443 HD11 LEU 58 HD11 LEU 58 -6.633 -12.020 17.850 444 HD12 LEU 58 HD12 LEU 58 -7.326 -12.562 16.323 445 HD13 LEU 58 HD13 LEU 58 -6.583 -10.965 16.437 446 HD21 LEU 58 HD21 LEU 58 -4.109 -14.392 16.611 447 HD22 LEU 58 HD22 LEU 58 -5.855 -14.610 16.433 448 HD23 LEU 58 HD23 LEU 58 -5.185 -14.005 17.951 449 H PHE 59 H PHE 59 -2.215 -10.713 14.352 450 HA PHE 59 HA PHE 59 -1.969 -11.048 11.458 451 HB2 PHE 59 HB2 PHE 59 -1.186 -8.895 12.313 452 HB3 PHE 59 HB3 PHE 59 -0.108 -9.723 13.431 453 HD1 PHE 59 HD1 PHE 59 -0.868 -9.447 9.825 454 HD2 PHE 59 HD2 PHE 59 2.058 -10.151 12.808 455 HE1 PHE 59 HE1 PHE 59 0.882 -9.432 8.095 456 HE2 PHE 59 HE2 PHE 59 3.817 -10.149 11.096 457 HZ PHE 59 HZ PHE 59 3.229 -9.787 8.733 458 H ASP 60 H ASP 60 -1.282 -12.919 10.863 459 HA ASP 60 HA ASP 60 -0.353 -14.975 10.839 460 HB2 ASP 60 HB2 ASP 60 1.766 -13.293 12.105 461 HB3 ASP 60 HB3 ASP 60 2.016 -15.030 11.960 462 H GLY 61 H GLY 61 -2.033 -14.211 13.229 463 HA2 GLY 61 HA2 GLY 61 -2.983 -15.911 14.608 464 HA3 GLY 61 HA3 GLY 61 -1.390 -16.647 14.738 465 H ARG 62 H ARG 62 -0.946 -13.393 15.100 466 HA ARG 62 HA ARG 62 -1.465 -13.560 17.980 467 HB2 ARG 62 HB2 ARG 62 0.515 -12.036 18.275 468 HB3 ARG 62 HB3 ARG 62 0.877 -13.655 17.695 469 HG2 ARG 62 HG2 ARG 62 2.270 -12.315 16.444 470 HG3 ARG 62 HG3 ARG 62 0.898 -12.601 15.375 471 HD2 ARG 62 HD2 ARG 62 1.411 -10.303 15.187 472 HD3 ARG 62 HD3 ARG 62 -0.038 -10.409 16.187 473 HE ARG 62 HE ARG 62 2.326 -10.357 17.775 474 HH11 ARG 62 HH11 ARG 62 0.138 -8.354 15.942 475 HH12 ARG 62 HH12 ARG 62 0.539 -6.893 16.789 476 HH21 ARG 62 HH21 ARG 62 2.886 -8.412 18.902 477 HH22 ARG 62 HH22 ARG 62 2.102 -6.926 18.464 478 H ARG 63 H ARG 63 -2.323 -11.762 18.990 479 HA ARG 63 HA ARG 63 -4.021 -10.258 17.272 480 HB2 ARG 63 HB2 ARG 63 -4.888 -9.156 19.290 481 HB3 ARG 63 HB3 ARG 63 -4.864 -10.904 19.442 482 HG2 ARG 63 HG2 ARG 63 -2.503 -9.490 20.482 483 HG3 ARG 63 HG3 ARG 63 -4.020 -9.222 21.342 484 HD2 ARG 63 HD2 ARG 63 -2.942 -11.949 20.670 485 HD3 ARG 63 HD3 ARG 63 -2.623 -11.130 22.198 486 HE ARG 63 HE ARG 63 -5.364 -11.124 21.861 487 HH11 ARG 63 HH11 ARG 63 -2.846 -13.553 22.142 488 HH12 ARG 63 HH12 ARG 63 -3.862 -14.705 22.929 489 HH21 ARG 63 HH21 ARG 63 -6.718 -12.668 22.916 490 HH22 ARG 63 HH22 ARG 63 -6.061 -14.197 23.382 491 H ILE 64 H ILE 64 -4.043 -8.277 16.635 492 HA ILE 64 HA ILE 64 -1.515 -6.833 16.622 493 HB ILE 64 HB ILE 64 -4.171 -6.190 15.315 494 HG12 ILE 64 HG12 ILE 64 -1.640 -7.304 14.096 495 HG13 ILE 64 HG13 ILE 64 -3.025 -8.284 14.562 496 HG21 ILE 64 HG21 ILE 64 -2.910 -4.594 13.941 497 HG22 ILE 64 HG22 ILE 64 -1.454 -4.941 14.875 498 HG23 ILE 64 HG23 ILE 64 -2.837 -4.172 15.652 499 HD11 ILE 64 HD11 ILE 64 -4.405 -7.015 12.972 500 HD12 ILE 64 HD12 ILE 64 -3.072 -7.873 12.204 501 HD13 ILE 64 HD13 ILE 64 -2.966 -6.131 12.467 502 H ASN 65 H ASN 65 -0.968 -5.269 17.850 503 HA ASN 65 HA ASN 65 -2.893 -4.184 19.782 504 HB2 ASN 65 HB2 ASN 65 0.133 -4.105 19.714 505 HB3 ASN 65 HB3 ASN 65 -0.866 -3.451 21.002 506 HD21 ASN 65 HD21 ASN 65 1.208 -5.592 20.839 507 HD22 ASN 65 HD22 ASN 65 0.482 -6.965 21.593 508 H ASP 66 H ASP 66 -2.710 -1.881 20.310 509 HA ASP 66 HA ASP 66 -2.360 -0.224 17.961 510 HB2 ASP 66 HB2 ASP 66 -3.125 1.624 19.371 511 HB3 ASP 66 HB3 ASP 66 -4.198 0.247 19.569 512 H ASP 67 H ASP 67 -0.397 -1.511 20.223 513 HA ASP 67 HA ASP 67 1.488 0.721 20.331 514 HB2 ASP 67 HB2 ASP 67 0.846 -0.300 22.470 515 HB3 ASP 67 HB3 ASP 67 1.397 -1.866 21.898 516 H ASP 68 H ASP 68 0.910 -1.996 18.469 517 HA ASP 68 HA ASP 68 3.461 -3.124 18.181 518 HB2 ASP 68 HB2 ASP 68 1.095 -3.046 16.330 519 HB3 ASP 68 HB3 ASP 68 2.582 -3.900 15.936 520 H THR 69 H THR 69 5.022 -2.917 16.598 521 HA THR 69 HA THR 69 5.125 -0.276 15.325 522 HB THR 69 HB THR 69 7.611 -0.539 15.445 523 HG1 THR 69 HG1 THR 69 7.593 -2.418 17.416 524 HG21 THR 69 HG21 THR 69 6.453 0.766 17.155 525 HG22 THR 69 HG22 THR 69 7.803 -0.116 17.870 526 HG23 THR 69 HG23 THR 69 6.153 -0.698 18.090 527 HA PRO 70 HA PRO 70 5.428 -1.933 11.237 528 HB2 PRO 70 HB2 PRO 70 8.078 -0.575 11.003 529 HB3 PRO 70 HB3 PRO 70 6.667 -0.473 9.944 530 HG2 PRO 70 HG2 PRO 70 7.216 1.524 11.567 531 HG3 PRO 70 HG3 PRO 70 5.539 0.979 11.374 532 HD2 PRO 70 HD2 PRO 70 7.458 0.454 13.610 533 HD3 PRO 70 HD3 PRO 70 5.722 0.828 13.679 534 H LYS 71 H LYS 71 8.471 -2.006 13.042 535 HA LYS 71 HA LYS 71 9.723 -3.991 11.488 536 HB2 LYS 71 HB2 LYS 71 11.194 -4.145 13.502 537 HB3 LYS 71 HB3 LYS 71 11.062 -2.567 12.733 538 HG2 LYS 71 HG2 LYS 71 9.624 -1.753 14.404 539 HG3 LYS 71 HG3 LYS 71 9.371 -3.363 15.068 540 HD2 LYS 71 HD2 LYS 71 11.956 -1.951 14.977 541 HD3 LYS 71 HD3 LYS 71 10.821 -1.957 16.345 542 HE2 LYS 71 HE2 LYS 71 10.941 -4.408 16.407 543 HE3 LYS 71 HE3 LYS 71 12.130 -4.378 15.117 544 HZ1 LYS 71 HZ1 LYS 71 13.639 -3.154 16.552 545 HZ2 LYS 71 HZ2 LYS 71 13.186 -4.605 17.288 546 HZ3 LYS 71 HZ3 LYS 71 12.500 -3.150 17.799 547 H THR 72 H THR 72 8.001 -4.157 14.639 548 HA THR 72 HA THR 72 8.564 -6.900 15.012 549 HB THR 72 HB THR 72 7.915 -5.328 16.882 550 HG1 THR 72 HG1 THR 72 7.800 -7.742 16.950 551 HG21 THR 72 HG21 THR 72 5.117 -5.846 15.862 552 HG22 THR 72 HG22 THR 72 5.962 -4.302 15.783 553 HG23 THR 72 HG23 THR 72 5.539 -4.997 17.350 554 H LEU 73 H LEU 73 6.106 -5.225 13.274 555 HA LEU 73 HA LEU 73 4.562 -7.666 12.946 556 HB2 LEU 73 HB2 LEU 73 4.133 -4.915 11.783 557 HB3 LEU 73 HB3 LEU 73 3.038 -6.273 11.609 558 HG LEU 73 HG LEU 73 3.733 -4.918 14.212 559 HD11 LEU 73 HD11 LEU 73 1.408 -4.128 14.135 560 HD12 LEU 73 HD12 LEU 73 1.244 -4.811 12.517 561 HD13 LEU 73 HD13 LEU 73 2.377 -3.491 12.808 562 HD21 LEU 73 HD21 LEU 73 3.246 -7.271 14.532 563 HD22 LEU 73 HD22 LEU 73 1.775 -7.120 13.573 564 HD23 LEU 73 HD23 LEU 73 1.906 -6.291 15.122 565 H GLU 74 H GLU 74 7.036 -5.895 11.374 566 HA GLU 74 HA GLU 74 7.942 -5.906 9.292 567 HB2 GLU 74 HB2 GLU 74 8.585 -8.087 10.501 568 HB3 GLU 74 HB3 GLU 74 7.503 -8.871 9.356 569 HG2 GLU 74 HG2 GLU 74 9.848 -8.912 8.639 570 HG3 GLU 74 HG3 GLU 74 8.790 -8.062 7.508 571 H MET 75 H MET 75 5.390 -5.162 8.934 572 HA MET 75 HA MET 75 4.108 -6.834 6.952 573 HB2 MET 75 HB2 MET 75 3.357 -4.087 7.959 574 HB3 MET 75 HB3 MET 75 2.382 -5.081 6.888 575 HG2 MET 75 HG2 MET 75 2.312 -6.801 8.691 576 HG3 MET 75 HG3 MET 75 3.106 -5.636 9.742 577 HE1 MET 75 HE1 MET 75 2.030 -3.429 10.629 578 HE2 MET 75 HE2 MET 75 0.469 -2.803 10.100 579 HE3 MET 75 HE3 MET 75 1.823 -2.866 8.971 580 H GLU 76 H GLU 76 3.447 -5.951 4.864 581 HA GLU 76 HA GLU 76 5.033 -3.786 3.817 582 HB2 GLU 76 HB2 GLU 76 5.821 -5.123 1.891 583 HB3 GLU 76 HB3 GLU 76 6.507 -5.673 3.410 584 HG2 GLU 76 HG2 GLU 76 5.009 -7.549 3.465 585 HG3 GLU 76 HG3 GLU 76 4.162 -6.958 2.035 586 H ASP 77 H ASP 77 4.419 -3.804 1.272 587 HA ASP 77 HA ASP 77 1.706 -3.095 1.255 588 HB2 ASP 77 HB2 ASP 77 3.499 -2.110 -0.186 589 HB3 ASP 77 HB3 ASP 77 3.460 -3.580 -1.145 590 H ASP 78 H ASP 78 0.042 -4.300 1.139 591 HA ASP 78 HA ASP 78 -1.513 -5.808 0.543 592 HB2 ASP 78 HB2 ASP 78 0.520 -6.539 -1.497 593 HB3 ASP 78 HB3 ASP 78 -0.819 -7.625 -1.176 594 H ASP 79 H ASP 79 0.311 -6.151 2.721 595 HA ASP 79 HA ASP 79 0.976 -8.923 2.931 596 HB2 ASP 79 HB2 ASP 79 1.756 -6.840 4.389 597 HB3 ASP 79 HB3 ASP 79 0.379 -7.352 5.367 598 H VAL 80 H VAL 80 -0.058 -10.034 5.036 599 HA VAL 80 HA VAL 80 -2.931 -10.015 4.432 600 HB VAL 80 HB VAL 80 -1.301 -12.406 5.186 601 HG11 VAL 80 HG11 VAL 80 -3.629 -12.595 5.767 602 HG12 VAL 80 HG12 VAL 80 -3.250 -13.670 4.418 603 HG13 VAL 80 HG13 VAL 80 -4.096 -12.150 4.126 604 HG21 VAL 80 HG21 VAL 80 -0.638 -11.396 3.020 605 HG22 VAL 80 HG22 VAL 80 -2.286 -11.663 2.443 606 HG23 VAL 80 HG23 VAL 80 -1.267 -13.041 2.875 607 H ILE 81 H ILE 81 -4.284 -10.136 6.062 608 HA ILE 81 HA ILE 81 -3.293 -10.383 8.781 609 HB ILE 81 HB ILE 81 -4.480 -7.998 7.544 610 HG12 ILE 81 HG12 ILE 81 -2.866 -8.434 10.062 611 HG13 ILE 81 HG13 ILE 81 -2.217 -8.070 8.470 612 HG21 ILE 81 HG21 ILE 81 -5.530 -8.919 10.200 613 HG22 ILE 81 HG22 ILE 81 -6.436 -8.519 8.727 614 HG23 ILE 81 HG23 ILE 81 -5.600 -7.252 9.622 615 HD11 ILE 81 HD11 ILE 81 -2.285 -6.148 10.034 616 HD12 ILE 81 HD12 ILE 81 -4.048 -6.236 9.996 617 HD13 ILE 81 HD13 ILE 81 -3.145 -5.878 8.524 618 H GLU 82 H GLU 82 -4.693 -11.319 10.228 619 HA GLU 82 HA GLU 82 -6.891 -12.763 8.928 620 HB2 GLU 82 HB2 GLU 82 -5.351 -13.360 11.446 621 HB3 GLU 82 HB3 GLU 82 -6.576 -14.387 10.720 622 HG2 GLU 82 HG2 GLU 82 -3.987 -13.605 9.411 623 HG3 GLU 82 HG3 GLU 82 -4.282 -15.146 10.231 624 H VAL 83 H VAL 83 -8.893 -12.868 9.864 625 HA VAL 83 HA VAL 83 -9.351 -11.197 12.235 626 HB VAL 83 HB VAL 83 -11.109 -11.339 9.779 627 HG11 VAL 83 HG11 VAL 83 -12.484 -11.324 11.807 628 HG12 VAL 83 HG12 VAL 83 -12.595 -9.784 10.953 629 HG13 VAL 83 HG13 VAL 83 -11.595 -9.921 12.400 630 HG21 VAL 83 HG21 VAL 83 -9.694 -9.048 11.090 631 HG22 VAL 83 HG22 VAL 83 -10.687 -8.973 9.633 632 HG23 VAL 83 HG23 VAL 83 -9.168 -9.872 9.623 633 H TYR 84 H TYR 84 -10.425 -12.097 13.803 634 HA TYR 84 HA TYR 84 -11.646 -14.690 13.335 635 HB2 TYR 84 HB2 TYR 84 -10.584 -13.369 15.822 636 HB3 TYR 84 HB3 TYR 84 -11.598 -14.808 15.884 637 HD1 TYR 84 HD1 TYR 84 -8.309 -13.486 14.888 638 HD2 TYR 84 HD2 TYR 84 -10.779 -16.941 15.120 639 HE1 TYR 84 HE1 TYR 84 -6.356 -14.911 14.441 640 HE2 TYR 84 HE2 TYR 84 -8.835 -18.369 14.680 641 HH TYR 84 HH TYR 84 -6.654 -18.213 13.645 642 H GLN 85 H GLN 85 -13.606 -15.061 14.902 643 HA GLN 85 HA GLN 85 -15.563 -13.422 13.691 644 HB2 GLN 85 HB2 GLN 85 -15.734 -15.880 14.395 645 HB3 GLN 85 HB3 GLN 85 -16.078 -15.266 16.007 646 HG2 GLN 85 HG2 GLN 85 -18.143 -15.730 14.936 647 HG3 GLN 85 HG3 GLN 85 -17.965 -13.976 15.038 648 HE21 GLN 85 HE21 GLN 85 -19.287 -13.526 13.310 649 HE22 GLN 85 HE22 GLN 85 -18.875 -13.917 11.680 650 H GLU 86 H GLU 86 -16.585 -11.704 14.355 651 HA GLU 86 HA GLU 86 -15.627 -10.172 16.503 652 HB2 GLU 86 HB2 GLU 86 -17.230 -8.530 15.832 653 HB3 GLU 86 HB3 GLU 86 -16.517 -9.251 14.399 654 HG2 GLU 86 HG2 GLU 86 -19.179 -10.038 15.538 655 HG3 GLU 86 HG3 GLU 86 -18.967 -8.863 14.244 656 H GLN 87 H GLN 87 -16.797 -9.278 18.264 657 HA GLN 87 HA GLN 87 -18.030 -11.315 19.837 658 HB2 GLN 87 HB2 GLN 87 -16.481 -9.602 20.739 659 HB3 GLN 87 HB3 GLN 87 -17.703 -8.377 20.443 660 HG2 GLN 87 HG2 GLN 87 -17.718 -8.986 22.741 661 HG3 GLN 87 HG3 GLN 87 -19.208 -9.540 21.978 662 HE21 GLN 87 HE21 GLN 87 -19.596 -11.161 23.446 663 HE22 GLN 87 HE22 GLN 87 -18.631 -12.591 23.540 664 H LEU 88 H LEU 88 -19.171 -8.331 18.324 665 HA LEU 88 HA LEU 88 -21.768 -8.377 19.447 666 HB2 LEU 88 HB2 LEU 88 -20.732 -6.346 18.508 667 HB3 LEU 88 HB3 LEU 88 -20.821 -7.063 16.912 668 HG LEU 88 HG LEU 88 -23.285 -7.075 17.070 669 HD11 LEU 88 HD11 LEU 88 -22.808 -5.576 19.639 670 HD12 LEU 88 HD12 LEU 88 -23.539 -7.172 19.472 671 HD13 LEU 88 HD13 LEU 88 -24.365 -5.752 18.832 672 HD21 LEU 88 HD21 LEU 88 -22.182 -5.250 15.942 673 HD22 LEU 88 HD22 LEU 88 -21.947 -4.405 17.471 674 HD23 LEU 88 HD23 LEU 88 -23.575 -4.639 16.833 675 H GLY 89 H GLY 89 -20.402 -9.622 16.482 676 HA2 GLY 89 HA2 GLY 89 -23.007 -10.493 15.519 677 HA3 GLY 89 HA3 GLY 89 -21.473 -10.677 14.683 678 H GLY 90 H GLY 90 -20.461 -12.573 14.760 679 HA2 GLY 90 HA2 GLY 90 -19.871 -14.562 16.093 680 HA3 GLY 90 HA3 GLY 90 -21.550 -14.601 16.618 Start of MODEL 5 1 H MET 1 H MET 1 14.536 -8.321 -12.144 2 HA MET 1 HA MET 1 12.746 -7.122 -11.087 3 HB2 MET 1 HB2 MET 1 15.508 -5.931 -10.774 4 HB3 MET 1 HB3 MET 1 14.181 -5.607 -9.669 5 HG2 MET 1 HG2 MET 1 14.043 -8.048 -9.217 6 HG3 MET 1 HG3 MET 1 15.481 -8.265 -10.210 7 HE1 MET 1 HE1 MET 1 17.375 -5.902 -9.533 8 HE2 MET 1 HE2 MET 1 17.872 -7.595 -9.544 9 HE3 MET 1 HE3 MET 1 18.279 -6.565 -8.172 10 H ALA 2 H ALA 2 11.434 -5.367 -11.013 11 HA ALA 2 HA ALA 2 12.074 -3.219 -12.921 12 HB1 ALA 2 HB1 ALA 2 9.721 -3.056 -13.454 13 HB2 ALA 2 HB2 ALA 2 9.348 -4.335 -12.300 14 HB3 ALA 2 HB3 ALA 2 10.297 -4.697 -13.741 15 H ASP 3 H ASP 3 11.903 -1.182 -12.231 16 HA ASP 3 HA ASP 3 11.094 -0.769 -9.468 17 HB2 ASP 3 HB2 ASP 3 13.261 0.139 -10.042 18 HB3 ASP 3 HB3 ASP 3 12.560 1.062 -11.368 19 H ASP 4 H ASP 4 9.084 -0.366 -9.159 20 HA ASP 4 HA ASP 4 7.256 0.651 -11.034 21 HB2 ASP 4 HB2 ASP 4 6.590 -0.676 -9.069 22 HB3 ASP 4 HB3 ASP 4 7.075 0.644 -8.014 23 H ALA 5 H ALA 5 9.262 2.170 -8.612 24 HA ALA 5 HA ALA 5 9.947 4.302 -8.277 25 HB1 ALA 5 HB1 ALA 5 9.546 6.044 -9.949 26 HB2 ALA 5 HB2 ALA 5 8.370 5.012 -10.761 27 HB3 ALA 5 HB3 ALA 5 10.070 4.549 -10.723 28 H ALA 6 H ALA 6 7.466 3.099 -7.323 29 HA ALA 6 HA ALA 6 5.766 3.569 -5.950 30 HB1 ALA 6 HB1 ALA 6 7.435 4.920 -4.788 31 HB2 ALA 6 HB2 ALA 6 5.819 5.614 -4.656 32 HB3 ALA 6 HB3 ALA 6 6.992 6.311 -5.774 33 H GLN 7 H GLN 7 4.621 3.319 -8.060 34 HA GLN 7 HA GLN 7 2.848 3.846 -9.386 35 HB2 GLN 7 HB2 GLN 7 2.507 5.831 -7.172 36 HB3 GLN 7 HB3 GLN 7 1.282 5.480 -8.388 37 HG2 GLN 7 HG2 GLN 7 0.984 3.286 -7.601 38 HG3 GLN 7 HG3 GLN 7 2.461 3.352 -6.641 39 HE21 GLN 7 HE21 GLN 7 -0.868 4.332 -6.842 40 HE22 GLN 7 HE22 GLN 7 -1.016 4.828 -5.193 41 H ALA 8 H ALA 8 1.647 6.229 -9.970 42 HA ALA 8 HA ALA 8 3.552 7.352 -11.816 43 HB1 ALA 8 HB1 ALA 8 1.655 8.577 -12.708 44 HB2 ALA 8 HB2 ALA 8 0.676 8.090 -11.320 45 HB3 ALA 8 HB3 ALA 8 1.239 6.878 -12.470 46 H GLY 9 H GLY 9 3.008 7.906 -8.673 47 HA2 GLY 9 HA2 GLY 9 4.426 9.802 -7.811 48 HA3 GLY 9 HA3 GLY 9 3.456 10.814 -8.875 49 H ASP 10 H ASP 10 2.628 8.174 -6.681 50 HA ASP 10 HA ASP 10 0.643 9.947 -5.435 51 HB2 ASP 10 HB2 ASP 10 -0.355 8.119 -6.755 52 HB3 ASP 10 HB3 ASP 10 0.539 6.946 -5.798 53 H ASN 11 H ASN 11 1.022 10.402 -3.363 54 HA ASN 11 HA ASN 11 2.708 8.557 -1.831 55 HB2 ASN 11 HB2 ASN 11 3.651 10.821 -2.014 56 HB3 ASN 11 HB3 ASN 11 2.177 11.486 -1.324 57 HD21 ASN 11 HD21 ASN 11 3.328 12.395 0.393 58 HD22 ASN 11 HD22 ASN 11 3.940 11.435 1.694 59 H ALA 12 H ALA 12 1.348 7.213 -0.958 60 HA ALA 12 HA ALA 12 -0.455 8.209 1.078 61 HB1 ALA 12 HB1 ALA 12 -1.496 6.306 -0.987 62 HB2 ALA 12 HB2 ALA 12 -1.686 8.051 -1.140 63 HB3 ALA 12 HB3 ALA 12 -2.410 7.207 0.230 64 H GLU 13 H GLU 13 0.573 5.377 -0.737 65 HA GLU 13 HA GLU 13 1.454 3.405 -0.189 66 HB2 GLU 13 HB2 GLU 13 1.930 4.710 2.462 67 HB3 GLU 13 HB3 GLU 13 2.694 3.226 1.905 68 HG2 GLU 13 HG2 GLU 13 3.824 4.447 0.154 69 HG3 GLU 13 HG3 GLU 13 2.981 5.926 0.629 70 H TYR 14 H TYR 14 -1.166 3.374 -0.135 71 HA TYR 14 HA TYR 14 -1.795 1.906 2.311 72 HB2 TYR 14 HB2 TYR 14 -3.691 3.343 0.467 73 HB3 TYR 14 HB3 TYR 14 -4.180 2.303 1.800 74 HD1 TYR 14 HD1 TYR 14 -2.921 5.532 0.862 75 HD2 TYR 14 HD2 TYR 14 -3.709 2.976 4.133 76 HE1 TYR 14 HE1 TYR 14 -2.790 7.471 2.394 77 HE2 TYR 14 HE2 TYR 14 -3.580 4.882 5.685 78 HH TYR 14 HH TYR 14 -2.512 7.146 5.729 79 H ILE 15 H ILE 15 -3.129 0.122 2.169 80 HA ILE 15 HA ILE 15 -3.012 -1.365 -0.358 81 HB ILE 15 HB ILE 15 -2.290 -3.336 0.832 82 HG12 ILE 15 HG12 ILE 15 -2.471 -1.663 3.335 83 HG13 ILE 15 HG13 ILE 15 -3.582 -2.942 2.835 84 HG21 ILE 15 HG21 ILE 15 -0.093 -2.693 1.661 85 HG22 ILE 15 HG22 ILE 15 -0.606 -1.005 1.684 86 HG23 ILE 15 HG23 ILE 15 -0.495 -1.872 0.152 87 HD11 ILE 15 HD11 ILE 15 -1.850 -4.584 3.060 88 HD12 ILE 15 HD12 ILE 15 -2.020 -3.666 4.562 89 HD13 ILE 15 HD13 ILE 15 -0.673 -3.332 3.470 90 H LYS 16 H LYS 16 -4.598 -3.133 -0.320 91 HA LYS 16 HA LYS 16 -6.969 -2.437 1.224 92 HB2 LYS 16 HB2 LYS 16 -6.555 -4.452 -0.941 93 HB3 LYS 16 HB3 LYS 16 -8.097 -4.170 -0.147 94 HG2 LYS 16 HG2 LYS 16 -7.918 -1.793 -0.956 95 HG3 LYS 16 HG3 LYS 16 -6.557 -2.355 -1.947 96 HD2 LYS 16 HD2 LYS 16 -9.339 -3.527 -2.055 97 HD3 LYS 16 HD3 LYS 16 -8.721 -2.323 -3.184 98 HE2 LYS 16 HE2 LYS 16 -6.940 -3.883 -3.852 99 HE3 LYS 16 HE3 LYS 16 -7.586 -5.076 -2.728 100 HZ1 LYS 16 HZ1 LYS 16 -9.059 -3.959 -5.051 101 HZ2 LYS 16 HZ2 LYS 16 -9.620 -5.159 -4.004 102 HZ3 LYS 16 HZ3 LYS 16 -8.307 -5.469 -5.013 103 H ILE 17 H ILE 17 -7.958 -3.784 2.605 104 HA ILE 17 HA ILE 17 -6.680 -6.364 3.151 105 HB ILE 17 HB ILE 17 -7.484 -4.268 5.129 106 HG12 ILE 17 HG12 ILE 17 -5.138 -6.160 4.903 107 HG13 ILE 17 HG13 ILE 17 -5.135 -4.430 4.581 108 HG21 ILE 17 HG21 ILE 17 -8.827 -6.175 5.754 109 HG22 ILE 17 HG22 ILE 17 -7.539 -5.905 6.928 110 HG23 ILE 17 HG23 ILE 17 -7.395 -7.205 5.741 111 HD11 ILE 17 HD11 ILE 17 -5.455 -5.800 7.238 112 HD12 ILE 17 HD12 ILE 17 -5.720 -4.079 6.993 113 HD13 ILE 17 HD13 ILE 17 -4.123 -4.774 6.704 114 H LYS 18 H LYS 18 -7.995 -8.063 3.183 115 HA LYS 18 HA LYS 18 -10.857 -7.484 2.979 116 HB2 LYS 18 HB2 LYS 18 -9.691 -10.218 2.700 117 HB3 LYS 18 HB3 LYS 18 -11.156 -9.570 2.002 118 HG2 LYS 18 HG2 LYS 18 -9.661 -8.138 0.506 119 HG3 LYS 18 HG3 LYS 18 -8.330 -9.132 1.106 120 HD2 LYS 18 HD2 LYS 18 -10.804 -10.192 -0.247 121 HD3 LYS 18 HD3 LYS 18 -9.228 -9.982 -1.014 122 HE2 LYS 18 HE2 LYS 18 -8.240 -11.569 0.532 123 HE3 LYS 18 HE3 LYS 18 -9.779 -11.738 1.375 124 HZ1 LYS 18 HZ1 LYS 18 -9.382 -13.552 -0.168 125 HZ2 LYS 18 HZ2 LYS 18 -9.307 -12.461 -1.461 126 HZ3 LYS 18 HZ3 LYS 18 -10.746 -12.659 -0.599 127 H VAL 19 H VAL 19 -11.655 -7.307 4.975 128 HA VAL 19 HA VAL 19 -10.773 -8.989 7.128 129 HB VAL 19 HB VAL 19 -13.077 -7.027 6.938 130 HG11 VAL 19 HG11 VAL 19 -11.873 -8.331 9.365 131 HG12 VAL 19 HG12 VAL 19 -13.433 -8.727 8.647 132 HG13 VAL 19 HG13 VAL 19 -13.168 -7.133 9.352 133 HG21 VAL 19 HG21 VAL 19 -11.632 -5.527 8.236 134 HG22 VAL 19 HG22 VAL 19 -10.912 -5.938 6.680 135 HG23 VAL 19 HG23 VAL 19 -10.330 -6.714 8.151 136 H VAL 20 H VAL 20 -11.461 -11.029 7.247 137 HA VAL 20 HA VAL 20 -14.100 -11.677 6.145 138 HB VAL 20 HB VAL 20 -11.804 -13.526 6.844 139 HG11 VAL 20 HG11 VAL 20 -13.969 -14.616 7.060 140 HG12 VAL 20 HG12 VAL 20 -13.088 -15.244 5.667 141 HG13 VAL 20 HG13 VAL 20 -14.407 -14.098 5.432 142 HG21 VAL 20 HG21 VAL 20 -12.774 -12.586 4.144 143 HG22 VAL 20 HG22 VAL 20 -11.520 -13.795 4.421 144 HG23 VAL 20 HG23 VAL 20 -11.260 -12.125 4.924 145 H GLY 21 H GLY 21 -15.639 -11.802 7.572 146 HA2 GLY 21 HA2 GLY 21 -15.003 -12.179 10.392 147 HA3 GLY 21 HA3 GLY 21 -16.594 -11.843 9.730 148 H GLN 22 H GLN 22 -16.583 -13.651 11.656 149 HA GLN 22 HA GLN 22 -16.129 -16.301 10.738 150 HB2 GLN 22 HB2 GLN 22 -17.722 -15.237 13.060 151 HB3 GLN 22 HB3 GLN 22 -17.550 -16.951 12.725 152 HG2 GLN 22 HG2 GLN 22 -15.168 -16.823 13.053 153 HG3 GLN 22 HG3 GLN 22 -15.258 -15.071 13.234 154 HE21 GLN 22 HE21 GLN 22 -14.242 -17.079 15.071 155 HE22 GLN 22 HE22 GLN 22 -15.151 -16.904 16.529 156 H ASP 23 H ASP 23 -18.634 -14.084 10.440 157 HA ASP 23 HA ASP 23 -20.697 -15.891 9.622 158 HB2 ASP 23 HB2 ASP 23 -20.308 -12.922 9.135 159 HB3 ASP 23 HB3 ASP 23 -21.752 -13.812 8.675 160 H SER 24 H SER 24 -17.783 -15.325 8.355 161 HA SER 24 HA SER 24 -16.740 -15.634 6.390 162 HB2 SER 24 HB2 SER 24 -18.424 -17.548 6.139 163 HB3 SER 24 HB3 SER 24 -19.398 -16.443 5.172 164 HG SER 24 HG SER 24 -18.164 -17.464 3.702 165 H ASN 25 H ASN 25 -18.040 -13.246 7.261 166 HA ASN 25 HA ASN 25 -18.882 -11.936 4.792 167 HB2 ASN 25 HB2 ASN 25 -20.124 -11.507 6.884 168 HB3 ASN 25 HB3 ASN 25 -18.682 -10.765 7.572 169 HD21 ASN 25 HD21 ASN 25 -19.627 -8.752 7.811 170 HD22 ASN 25 HD22 ASN 25 -20.021 -7.736 6.465 171 H GLU 26 H GLU 26 -17.310 -11.395 3.543 172 HA GLU 26 HA GLU 26 -14.820 -10.360 4.666 173 HB2 GLU 26 HB2 GLU 26 -14.531 -12.133 3.064 174 HB3 GLU 26 HB3 GLU 26 -15.518 -11.280 1.887 175 HG2 GLU 26 HG2 GLU 26 -13.797 -9.452 1.917 176 HG3 GLU 26 HG3 GLU 26 -12.797 -10.506 2.911 177 H VAL 27 H VAL 27 -14.399 -8.291 4.653 178 HA VAL 27 HA VAL 27 -15.757 -6.564 2.705 179 HB VAL 27 HB VAL 27 -16.917 -6.289 4.844 180 HG11 VAL 27 HG11 VAL 27 -14.227 -5.537 5.948 181 HG12 VAL 27 HG12 VAL 27 -15.139 -7.000 6.329 182 HG13 VAL 27 HG13 VAL 27 -15.763 -5.420 6.808 183 HG21 VAL 27 HG21 VAL 27 -16.714 -4.324 3.430 184 HG22 VAL 27 HG22 VAL 27 -15.160 -3.929 4.165 185 HG23 VAL 27 HG23 VAL 27 -16.634 -3.857 5.130 186 H HIS 28 H HIS 28 -14.586 -4.927 1.878 187 HA HIS 28 HA HIS 28 -11.718 -5.252 2.274 188 HB2 HIS 28 HB2 HIS 28 -13.290 -3.958 0.058 189 HB3 HIS 28 HB3 HIS 28 -11.531 -4.052 0.106 190 HD2 HIS 28 HD2 HIS 28 -12.047 -7.388 1.229 191 HE1 HIS 28 HE1 HIS 28 -13.017 -7.751 -2.877 192 HE2 HIS 28 HE2 HIS 28 -12.668 -8.980 -0.708 193 H PHE 29 H PHE 29 -10.796 -3.921 3.584 194 HA PHE 29 HA PHE 29 -11.656 -1.111 3.648 195 HB2 PHE 29 HB2 PHE 29 -10.341 -2.826 5.732 196 HB3 PHE 29 HB3 PHE 29 -10.275 -1.078 5.820 197 HD1 PHE 29 HD1 PHE 29 -12.278 -4.027 6.378 198 HD2 PHE 29 HD2 PHE 29 -12.395 0.212 6.037 199 HE1 PHE 29 HE1 PHE 29 -14.463 -3.994 7.487 200 HE2 PHE 29 HE2 PHE 29 -14.584 0.246 7.152 201 HZ PHE 29 HZ PHE 29 -15.621 -1.861 7.881 202 H ARG 30 H ARG 30 -10.116 0.513 3.549 203 HA ARG 30 HA ARG 30 -7.621 -0.309 2.262 204 HB2 ARG 30 HB2 ARG 30 -9.107 1.321 1.118 205 HB3 ARG 30 HB3 ARG 30 -8.860 2.446 2.454 206 HG2 ARG 30 HG2 ARG 30 -7.395 3.135 0.738 207 HG3 ARG 30 HG3 ARG 30 -6.391 2.298 1.910 208 HD2 ARG 30 HD2 ARG 30 -6.313 0.331 0.581 209 HD3 ARG 30 HD3 ARG 30 -7.545 0.947 -0.516 210 HE ARG 30 HE ARG 30 -5.431 2.742 -0.592 211 HH11 ARG 30 HH11 ARG 30 -6.022 -0.603 -1.392 212 HH12 ARG 30 HH12 ARG 30 -4.811 -0.686 -2.617 213 HH21 ARG 30 HH21 ARG 30 -3.835 2.678 -2.256 214 HH22 ARG 30 HH22 ARG 30 -3.578 1.208 -3.127 215 H VAL 31 H VAL 31 -5.845 -0.277 3.397 216 HA VAL 31 HA VAL 31 -5.586 1.463 5.755 217 HB VAL 31 HB VAL 31 -4.620 -0.342 7.070 218 HG11 VAL 31 HG11 VAL 31 -6.996 0.043 7.346 219 HG12 VAL 31 HG12 VAL 31 -6.652 -1.681 7.482 220 HG13 VAL 31 HG13 VAL 31 -7.353 -1.035 5.998 221 HG21 VAL 31 HG21 VAL 31 -5.401 -2.164 4.808 222 HG22 VAL 31 HG22 VAL 31 -4.645 -2.634 6.333 223 HG23 VAL 31 HG23 VAL 31 -3.759 -1.644 5.178 224 H LYS 32 H LYS 32 -3.218 1.247 6.556 225 HA LYS 32 HA LYS 32 -1.554 1.605 4.190 226 HB2 LYS 32 HB2 LYS 32 -1.720 3.119 6.378 227 HB3 LYS 32 HB3 LYS 32 -0.520 1.983 6.961 228 HG2 LYS 32 HG2 LYS 32 0.941 2.517 5.095 229 HG3 LYS 32 HG3 LYS 32 -0.263 3.629 4.454 230 HD2 LYS 32 HD2 LYS 32 -0.106 4.881 6.642 231 HD3 LYS 32 HD3 LYS 32 1.294 3.868 7.011 232 HE2 LYS 32 HE2 LYS 32 1.048 5.648 4.581 233 HE3 LYS 32 HE3 LYS 32 1.908 6.080 6.055 234 HZ1 LYS 32 HZ1 LYS 32 2.567 3.754 4.330 235 HZ2 LYS 32 HZ2 LYS 32 3.434 4.278 5.683 236 HZ3 LYS 32 HZ3 LYS 32 3.377 5.242 4.293 237 H TYR 33 H TYR 33 0.586 0.539 4.097 238 HA TYR 33 HA TYR 33 0.680 -2.190 4.564 239 HB2 TYR 33 HB2 TYR 33 2.956 -0.204 4.524 240 HB3 TYR 33 HB3 TYR 33 3.199 -1.934 4.579 241 HD1 TYR 33 HD1 TYR 33 2.143 0.890 2.481 242 HD2 TYR 33 HD2 TYR 33 2.888 -3.297 2.620 243 HE1 TYR 33 HE1 TYR 33 2.186 0.819 0.022 244 HE2 TYR 33 HE2 TYR 33 2.925 -3.382 0.165 245 HH TYR 33 HH TYR 33 3.105 -0.583 -1.752 246 H GLY 34 H GLY 34 1.641 0.455 6.688 247 HA2 GLY 34 HA2 GLY 34 2.464 -1.437 8.761 248 HA3 GLY 34 HA3 GLY 34 2.813 0.284 8.736 249 H THR 35 H THR 35 -0.374 -0.869 8.031 250 HA THR 35 HA THR 35 -1.409 0.639 10.132 251 HB THR 35 HB THR 35 -2.456 -1.033 7.978 252 HG1 THR 35 HG1 THR 35 -2.458 1.531 8.762 253 HG21 THR 35 HG21 THR 35 -3.720 -2.137 9.568 254 HG22 THR 35 HG22 THR 35 -4.798 -0.824 9.067 255 HG23 THR 35 HG23 THR 35 -3.878 -0.710 10.574 256 H SER 36 H SER 36 -1.705 0.169 12.095 257 HA SER 36 HA SER 36 -1.238 -2.509 13.099 258 HB2 SER 36 HB2 SER 36 -1.674 0.100 14.561 259 HB3 SER 36 HB3 SER 36 -1.151 -1.428 15.273 260 HG SER 36 HG SER 36 0.589 -1.207 13.538 261 H MET 37 H MET 37 -2.709 -3.195 14.947 262 HA MET 37 HA MET 37 -5.182 -3.859 13.975 263 HB2 MET 37 HB2 MET 37 -5.815 -4.592 16.152 264 HB3 MET 37 HB3 MET 37 -4.101 -4.888 15.955 265 HG2 MET 37 HG2 MET 37 -3.566 -2.966 17.310 266 HG3 MET 37 HG3 MET 37 -5.272 -2.543 17.438 267 HE1 MET 37 HE1 MET 37 -3.300 -2.880 19.974 268 HE2 MET 37 HE2 MET 37 -4.390 -3.722 21.075 269 HE3 MET 37 HE3 MET 37 -4.994 -2.401 20.074 270 H ALA 38 H ALA 38 -4.495 -0.957 15.871 271 HA ALA 38 HA ALA 38 -7.142 -0.323 16.540 272 HB1 ALA 38 HB1 ALA 38 -4.846 1.574 16.157 273 HB2 ALA 38 HB2 ALA 38 -5.220 0.691 17.641 274 HB3 ALA 38 HB3 ALA 38 -6.346 1.903 17.021 275 H LYS 39 H LYS 39 -5.266 0.392 13.692 276 HA LYS 39 HA LYS 39 -6.825 2.468 12.628 277 HB2 LYS 39 HB2 LYS 39 -5.247 0.342 11.181 278 HB3 LYS 39 HB3 LYS 39 -5.766 1.869 10.499 279 HG2 LYS 39 HG2 LYS 39 -3.919 1.686 12.864 280 HG3 LYS 39 HG3 LYS 39 -3.346 1.746 11.207 281 HD2 LYS 39 HD2 LYS 39 -5.130 3.838 12.438 282 HD3 LYS 39 HD3 LYS 39 -3.366 3.934 12.443 283 HE2 LYS 39 HE2 LYS 39 -3.439 3.702 9.964 284 HE3 LYS 39 HE3 LYS 39 -5.191 3.842 10.058 285 HZ1 LYS 39 HZ1 LYS 39 -3.243 5.892 10.965 286 HZ2 LYS 39 HZ2 LYS 39 -4.927 6.024 11.054 287 HZ3 LYS 39 HZ3 LYS 39 -4.160 5.960 9.547 288 H LEU 40 H LEU 40 -7.052 -1.051 12.311 289 HA LEU 40 HA LEU 40 -9.337 -0.826 10.547 290 HB2 LEU 40 HB2 LEU 40 -9.260 -3.344 10.517 291 HB3 LEU 40 HB3 LEU 40 -7.907 -2.507 9.794 292 HG LEU 40 HG LEU 40 -7.646 -3.468 12.637 293 HD11 LEU 40 HD11 LEU 40 -8.570 -5.374 11.400 294 HD12 LEU 40 HD12 LEU 40 -6.872 -5.629 11.803 295 HD13 LEU 40 HD13 LEU 40 -7.331 -5.175 10.162 296 HD21 LEU 40 HD21 LEU 40 -5.331 -3.715 11.946 297 HD22 LEU 40 HD22 LEU 40 -5.905 -2.089 11.566 298 HD23 LEU 40 HD23 LEU 40 -5.759 -3.293 10.291 299 H LYS 41 H LYS 41 -8.601 -2.037 13.781 300 HA LYS 41 HA LYS 41 -11.094 -3.209 14.287 301 HB2 LYS 41 HB2 LYS 41 -9.016 -2.051 16.113 302 HB3 LYS 41 HB3 LYS 41 -10.451 -2.880 16.693 303 HG2 LYS 41 HG2 LYS 41 -9.797 -4.896 15.764 304 HG3 LYS 41 HG3 LYS 41 -8.518 -4.146 14.802 305 HD2 LYS 41 HD2 LYS 41 -7.554 -5.253 16.679 306 HD3 LYS 41 HD3 LYS 41 -7.414 -3.499 16.870 307 HE2 LYS 41 HE2 LYS 41 -9.320 -3.499 18.397 308 HE3 LYS 41 HE3 LYS 41 -9.523 -5.235 18.171 309 HZ1 LYS 41 HZ1 LYS 41 -7.320 -5.554 19.148 310 HZ2 LYS 41 HZ2 LYS 41 -8.372 -4.786 20.219 311 HZ3 LYS 41 HZ3 LYS 41 -7.191 -3.889 19.413 312 H LYS 42 H LYS 42 -9.869 -0.029 15.089 313 HA LYS 42 HA LYS 42 -12.222 0.865 16.314 314 HB2 LYS 42 HB2 LYS 42 -10.070 2.019 16.540 315 HB3 LYS 42 HB3 LYS 42 -10.123 2.460 14.841 316 HG2 LYS 42 HG2 LYS 42 -11.951 3.930 15.195 317 HG3 LYS 42 HG3 LYS 42 -12.189 3.333 16.839 318 HD2 LYS 42 HD2 LYS 42 -11.062 5.475 16.893 319 HD3 LYS 42 HD3 LYS 42 -9.975 4.207 17.456 320 HE2 LYS 42 HE2 LYS 42 -8.894 4.159 15.264 321 HE3 LYS 42 HE3 LYS 42 -10.001 5.405 14.684 322 HZ1 LYS 42 HZ1 LYS 42 -7.886 6.359 15.325 323 HZ2 LYS 42 HZ2 LYS 42 -8.023 5.721 16.881 324 HZ3 LYS 42 HZ3 LYS 42 -9.100 6.909 16.360 325 H SER 43 H SER 43 -11.135 0.873 13.014 326 HA SER 43 HA SER 43 -13.244 2.409 11.913 327 HB2 SER 43 HB2 SER 43 -11.293 0.432 10.718 328 HB3 SER 43 HB3 SER 43 -12.446 1.356 9.732 329 HG SER 43 HG SER 43 -10.103 2.098 10.922 330 H TYR 44 H TYR 44 -12.764 -1.119 12.081 331 HA TYR 44 HA TYR 44 -15.239 -1.780 10.825 332 HB2 TYR 44 HB2 TYR 44 -13.275 -3.259 10.868 333 HB3 TYR 44 HB3 TYR 44 -13.480 -3.449 12.600 334 HD1 TYR 44 HD1 TYR 44 -14.785 -4.396 9.309 335 HD2 TYR 44 HD2 TYR 44 -15.284 -4.780 13.508 336 HE1 TYR 44 HE1 TYR 44 -16.306 -6.299 8.940 337 HE2 TYR 44 HE2 TYR 44 -16.801 -6.681 13.167 338 HH TYR 44 HH TYR 44 -18.164 -7.660 11.562 339 H ALA 45 H ALA 45 -14.174 -1.708 14.180 340 HA ALA 45 HA ALA 45 -16.495 -2.766 15.320 341 HB1 ALA 45 HB1 ALA 45 -15.763 -1.720 17.402 342 HB2 ALA 45 HB2 ALA 45 -14.628 -0.713 16.505 343 HB3 ALA 45 HB3 ALA 45 -14.399 -2.460 16.563 344 H ASP 46 H ASP 46 -15.680 0.362 14.206 345 HA ASP 46 HA ASP 46 -17.808 1.832 15.373 346 HB2 ASP 46 HB2 ASP 46 -15.889 2.960 14.430 347 HB3 ASP 46 HB3 ASP 46 -16.245 2.316 12.836 348 H ARG 47 H ARG 47 -17.457 0.261 12.222 349 HA ARG 47 HA ARG 47 -19.995 1.104 11.297 350 HB2 ARG 47 HB2 ARG 47 -19.587 -0.219 9.333 351 HB3 ARG 47 HB3 ARG 47 -18.085 0.556 9.805 352 HG2 ARG 47 HG2 ARG 47 -17.460 -1.586 9.134 353 HG3 ARG 47 HG3 ARG 47 -17.462 -1.660 10.894 354 HD2 ARG 47 HD2 ARG 47 -18.482 -3.658 9.903 355 HD3 ARG 47 HD3 ARG 47 -19.647 -2.744 10.859 356 HE ARG 47 HE ARG 47 -19.706 -2.022 8.098 357 HH11 ARG 47 HH11 ARG 47 -20.831 -4.416 10.399 358 HH12 ARG 47 HH12 ARG 47 -22.210 -4.865 9.466 359 HH21 ARG 47 HH21 ARG 47 -21.520 -2.625 6.845 360 HH22 ARG 47 HH22 ARG 47 -22.596 -3.847 7.421 361 H THR 48 H THR 48 -19.033 -1.499 13.287 362 HA THR 48 HA THR 48 -21.581 -2.855 12.782 363 HB THR 48 HB THR 48 -19.639 -4.295 12.531 364 HG1 THR 48 HG1 THR 48 -20.245 -5.913 14.110 365 HG21 THR 48 HG21 THR 48 -18.251 -4.881 14.511 366 HG22 THR 48 HG22 THR 48 -19.020 -3.554 15.387 367 HG23 THR 48 HG23 THR 48 -18.040 -3.220 13.959 368 H GLY 49 H GLY 49 -20.265 -0.668 14.921 369 HA2 GLY 49 HA2 GLY 49 -21.116 0.246 16.852 370 HA3 GLY 49 HA3 GLY 49 -22.513 -0.811 16.680 371 H VAL 50 H VAL 50 -19.212 -1.889 16.871 372 HA VAL 50 HA VAL 50 -19.809 -3.204 19.433 373 HB VAL 50 HB VAL 50 -17.997 -4.116 17.179 374 HG11 VAL 50 HG11 VAL 50 -18.483 -5.450 19.840 375 HG12 VAL 50 HG12 VAL 50 -16.986 -4.668 19.339 376 HG13 VAL 50 HG13 VAL 50 -17.552 -6.112 18.504 377 HG21 VAL 50 HG21 VAL 50 -20.515 -5.330 18.312 378 HG22 VAL 50 HG22 VAL 50 -19.527 -6.013 17.019 379 HG23 VAL 50 HG23 VAL 50 -20.376 -4.487 16.770 380 H ALA 51 H ALA 51 -18.230 -3.185 21.032 381 HA ALA 51 HA ALA 51 -16.547 -0.976 21.295 382 HB1 ALA 51 HB1 ALA 51 -15.592 -2.155 23.194 383 HB2 ALA 51 HB2 ALA 51 -16.275 -3.674 22.607 384 HB3 ALA 51 HB3 ALA 51 -17.345 -2.388 23.160 385 H VAL 52 H VAL 52 -14.483 -0.585 20.792 386 HA VAL 52 HA VAL 52 -13.334 -1.910 18.606 387 HB VAL 52 HB VAL 52 -12.120 0.061 20.547 388 HG11 VAL 52 HG11 VAL 52 -10.337 -1.198 19.485 389 HG12 VAL 52 HG12 VAL 52 -10.382 0.451 18.862 390 HG13 VAL 52 HG13 VAL 52 -11.031 -0.874 17.896 391 HG21 VAL 52 HG21 VAL 52 -13.341 0.390 17.816 392 HG22 VAL 52 HG22 VAL 52 -12.468 1.659 18.675 393 HG23 VAL 52 HG23 VAL 52 -13.964 1.005 19.346 394 H ASN 53 H ASN 53 -12.568 -2.019 22.046 395 HA ASN 53 HA ASN 53 -10.265 -3.651 21.684 396 HB2 ASN 53 HB2 ASN 53 -10.696 -2.183 23.695 397 HB3 ASN 53 HB3 ASN 53 -11.831 -3.411 24.249 398 HD21 ASN 53 HD21 ASN 53 -10.621 -3.892 26.070 399 HD22 ASN 53 HD22 ASN 53 -9.120 -4.742 25.994 400 H SER 54 H SER 54 -13.665 -4.360 22.114 401 HA SER 54 HA SER 54 -13.066 -7.145 22.577 402 HB2 SER 54 HB2 SER 54 -15.481 -7.471 22.812 403 HB3 SER 54 HB3 SER 54 -14.891 -6.189 23.861 404 HG SER 54 HG SER 54 -16.543 -5.232 22.990 405 H LEU 55 H LEU 55 -13.047 -5.305 19.949 406 HA LEU 55 HA LEU 55 -14.143 -7.305 18.119 407 HB2 LEU 55 HB2 LEU 55 -14.082 -4.599 17.962 408 HB3 LEU 55 HB3 LEU 55 -12.558 -4.954 17.183 409 HG LEU 55 HG LEU 55 -13.906 -4.826 15.357 410 HD11 LEU 55 HD11 LEU 55 -12.955 -7.073 15.338 411 HD12 LEU 55 HD12 LEU 55 -14.513 -7.014 14.517 412 HD13 LEU 55 HD13 LEU 55 -14.398 -7.693 16.139 413 HD21 LEU 55 HD21 LEU 55 -15.928 -4.253 16.355 414 HD22 LEU 55 HD22 LEU 55 -16.103 -5.819 17.116 415 HD23 LEU 55 HD23 LEU 55 -16.292 -5.668 15.366 416 H ARG 56 H ARG 56 -12.757 -8.890 17.345 417 HA ARG 56 HA ARG 56 -9.900 -8.412 17.854 418 HB2 ARG 56 HB2 ARG 56 -11.534 -10.870 18.346 419 HB3 ARG 56 HB3 ARG 56 -9.809 -11.004 18.045 420 HG2 ARG 56 HG2 ARG 56 -10.017 -10.965 20.378 421 HG3 ARG 56 HG3 ARG 56 -9.502 -9.335 19.944 422 HD2 ARG 56 HD2 ARG 56 -11.248 -9.165 21.580 423 HD3 ARG 56 HD3 ARG 56 -11.890 -8.629 20.031 424 HE ARG 56 HE ARG 56 -13.208 -10.550 19.918 425 HH11 ARG 56 HH11 ARG 56 -11.315 -10.442 22.869 426 HH12 ARG 56 HH12 ARG 56 -12.220 -11.688 23.650 427 HH21 ARG 56 HH21 ARG 56 -14.407 -12.218 20.957 428 HH22 ARG 56 HH22 ARG 56 -13.973 -12.700 22.563 429 H PHE 57 H PHE 57 -8.763 -8.251 16.129 430 HA PHE 57 HA PHE 57 -9.507 -9.799 13.749 431 HB2 PHE 57 HB2 PHE 57 -7.880 -7.287 14.100 432 HB3 PHE 57 HB3 PHE 57 -7.942 -8.198 12.598 433 HD1 PHE 57 HD1 PHE 57 -10.109 -6.490 15.043 434 HD2 PHE 57 HD2 PHE 57 -9.564 -7.752 11.051 435 HE1 PHE 57 HE1 PHE 57 -12.089 -5.199 14.374 436 HE2 PHE 57 HE2 PHE 57 -11.543 -6.481 10.366 437 HZ PHE 57 HZ PHE 57 -12.808 -5.206 12.026 438 H LEU 58 H LEU 58 -8.198 -11.345 13.097 439 HA LEU 58 HA LEU 58 -5.515 -11.454 14.274 440 HB2 LEU 58 HB2 LEU 58 -7.564 -13.597 14.058 441 HB3 LEU 58 HB3 LEU 58 -5.876 -14.036 13.893 442 HG LEU 58 HG LEU 58 -5.537 -12.836 16.131 443 HD11 LEU 58 HD11 LEU 58 -8.489 -13.236 16.325 444 HD12 LEU 58 HD12 LEU 58 -7.671 -11.680 16.189 445 HD13 LEU 58 HD13 LEU 58 -7.411 -12.695 17.609 446 HD21 LEU 58 HD21 LEU 58 -7.124 -15.377 16.039 447 HD22 LEU 58 HD22 LEU 58 -6.166 -14.798 17.403 448 HD23 LEU 58 HD23 LEU 58 -5.374 -15.220 15.886 449 H PHE 59 H PHE 59 -3.887 -12.144 13.058 450 HA PHE 59 HA PHE 59 -4.456 -12.463 10.202 451 HB2 PHE 59 HB2 PHE 59 -3.339 -10.334 10.693 452 HB3 PHE 59 HB3 PHE 59 -2.074 -11.198 11.553 453 HD1 PHE 59 HD1 PHE 59 -3.720 -11.283 8.224 454 HD2 PHE 59 HD2 PHE 59 -0.127 -11.544 10.458 455 HE1 PHE 59 HE1 PHE 59 -2.442 -11.465 6.128 456 HE2 PHE 59 HE2 PHE 59 1.162 -11.735 8.380 457 HZ PHE 59 HZ PHE 59 0.006 -11.695 6.211 458 H ASP 60 H ASP 60 -4.090 -14.452 9.604 459 HA ASP 60 HA ASP 60 -3.377 -16.591 9.554 460 HB2 ASP 60 HB2 ASP 60 -0.763 -15.198 10.087 461 HB3 ASP 60 HB3 ASP 60 -0.871 -16.926 9.770 462 H GLY 61 H GLY 61 -4.328 -15.612 12.118 463 HA2 GLY 61 HA2 GLY 61 -4.906 -17.031 13.917 464 HA3 GLY 61 HA3 GLY 61 -3.402 -17.913 13.672 465 H ARG 62 H ARG 62 -2.545 -14.752 13.534 466 HA ARG 62 HA ARG 62 -2.173 -14.641 16.459 467 HB2 ARG 62 HB2 ARG 62 -0.102 -13.389 16.080 468 HB3 ARG 62 HB3 ARG 62 -0.061 -14.959 15.294 469 HG2 ARG 62 HG2 ARG 62 0.942 -13.572 13.743 470 HG3 ARG 62 HG3 ARG 62 -0.718 -13.692 13.168 471 HD2 ARG 62 HD2 ARG 62 -0.040 -11.403 12.982 472 HD3 ARG 62 HD3 ARG 62 -1.192 -11.517 14.308 473 HE ARG 62 HE ARG 62 1.422 -11.749 15.335 474 HH11 ARG 62 HH11 ARG 62 -0.674 -9.345 13.858 475 HH12 ARG 62 HH12 ARG 62 0.067 -7.990 14.643 476 HH21 ARG 62 HH21 ARG 62 2.415 -9.955 16.400 477 HH22 ARG 62 HH22 ARG 62 1.832 -8.353 16.105 478 H ARG 63 H ARG 63 -2.685 -12.936 17.509 479 HA ARG 63 HA ARG 63 -4.608 -11.267 16.259 480 HB2 ARG 63 HB2 ARG 63 -4.918 -10.316 18.472 481 HB3 ARG 63 HB3 ARG 63 -4.934 -12.070 18.511 482 HG2 ARG 63 HG2 ARG 63 -2.444 -11.839 19.150 483 HG3 ARG 63 HG3 ARG 63 -2.883 -10.176 19.556 484 HD2 ARG 63 HD2 ARG 63 -4.747 -11.103 20.938 485 HD3 ARG 63 HD3 ARG 63 -4.070 -12.704 20.605 486 HE ARG 63 HE ARG 63 -2.057 -11.071 21.672 487 HH11 ARG 63 HH11 ARG 63 -5.012 -12.689 22.657 488 HH12 ARG 63 HH12 ARG 63 -4.538 -12.829 24.314 489 HH21 ARG 63 HH21 ARG 63 -1.420 -11.268 23.875 490 HH22 ARG 63 HH22 ARG 63 -2.491 -12.018 25.008 491 H ILE 64 H ILE 64 -4.533 -9.333 15.618 492 HA ILE 64 HA ILE 64 -1.977 -8.154 15.018 493 HB ILE 64 HB ILE 64 -4.794 -7.098 14.566 494 HG12 ILE 64 HG12 ILE 64 -2.984 -8.585 12.658 495 HG13 ILE 64 HG13 ILE 64 -4.274 -9.350 13.576 496 HG21 ILE 64 HG21 ILE 64 -3.800 -5.684 12.874 497 HG22 ILE 64 HG22 ILE 64 -2.215 -6.392 13.163 498 HG23 ILE 64 HG23 ILE 64 -2.974 -5.395 14.407 499 HD11 ILE 64 HD11 ILE 64 -5.026 -8.931 11.367 500 HD12 ILE 64 HD12 ILE 64 -4.557 -7.231 11.467 501 HD13 ILE 64 HD13 ILE 64 -5.884 -7.844 12.458 502 H ASN 65 H ASN 65 -1.011 -6.483 15.987 503 HA ASN 65 HA ASN 65 -2.253 -5.542 18.495 504 HB2 ASN 65 HB2 ASN 65 0.670 -5.828 17.769 505 HB3 ASN 65 HB3 ASN 65 0.074 -5.136 19.271 506 HD21 ASN 65 HD21 ASN 65 1.776 -7.453 18.784 507 HD22 ASN 65 HD22 ASN 65 0.976 -8.793 19.529 508 H ASP 66 H ASP 66 -1.407 -3.370 19.195 509 HA ASP 66 HA ASP 66 -1.612 -1.510 17.001 510 HB2 ASP 66 HB2 ASP 66 -1.522 0.225 18.738 511 HB3 ASP 66 HB3 ASP 66 -2.734 -0.995 19.111 512 H ASP 67 H ASP 67 0.799 -3.292 18.304 513 HA ASP 67 HA ASP 67 2.884 -1.253 18.059 514 HB2 ASP 67 HB2 ASP 67 2.742 -2.613 20.137 515 HB3 ASP 67 HB3 ASP 67 3.115 -4.042 19.183 516 H ASP 68 H ASP 68 1.604 -3.902 16.244 517 HA ASP 68 HA ASP 68 4.084 -4.783 15.189 518 HB2 ASP 68 HB2 ASP 68 2.621 -5.946 13.435 519 HB3 ASP 68 HB3 ASP 68 2.468 -6.441 15.114 520 H THR 69 H THR 69 4.586 -4.873 12.855 521 HA THR 69 HA THR 69 4.246 -2.227 11.622 522 HB THR 69 HB THR 69 6.666 -2.259 11.054 523 HG1 THR 69 HG1 THR 69 7.975 -3.795 12.222 524 HG21 THR 69 HG21 THR 69 6.099 -2.514 14.013 525 HG22 THR 69 HG22 THR 69 5.922 -1.045 13.053 526 HG23 THR 69 HG23 THR 69 7.520 -1.749 13.302 527 HA PRO 70 HA PRO 70 3.590 -3.973 7.611 528 HB2 PRO 70 HB2 PRO 70 6.169 -2.842 6.624 529 HB3 PRO 70 HB3 PRO 70 4.540 -2.664 5.976 530 HG2 PRO 70 HG2 PRO 70 5.663 -0.675 7.289 531 HG3 PRO 70 HG3 PRO 70 3.951 -1.060 7.536 532 HD2 PRO 70 HD2 PRO 70 6.303 -1.667 9.270 533 HD3 PRO 70 HD3 PRO 70 4.670 -1.151 9.738 534 H LYS 71 H LYS 71 7.001 -4.273 8.586 535 HA LYS 71 HA LYS 71 7.510 -6.383 6.778 536 HB2 LYS 71 HB2 LYS 71 9.674 -6.615 7.925 537 HB3 LYS 71 HB3 LYS 71 9.321 -4.986 7.392 538 HG2 LYS 71 HG2 LYS 71 10.339 -4.780 9.510 539 HG3 LYS 71 HG3 LYS 71 8.622 -4.481 9.762 540 HD2 LYS 71 HD2 LYS 71 9.675 -5.920 11.512 541 HD3 LYS 71 HD3 LYS 71 8.312 -6.673 10.680 542 HE2 LYS 71 HE2 LYS 71 9.776 -7.971 9.316 543 HE3 LYS 71 HE3 LYS 71 11.204 -7.139 9.946 544 HZ1 LYS 71 HZ1 LYS 71 10.690 -8.103 12.131 545 HZ2 LYS 71 HZ2 LYS 71 10.936 -9.297 10.961 546 HZ3 LYS 71 HZ3 LYS 71 9.371 -8.923 11.461 547 H THR 72 H THR 72 6.161 -6.394 9.916 548 HA THR 72 HA THR 72 6.809 -9.217 10.238 549 HB THR 72 HB THR 72 7.059 -7.594 12.201 550 HG1 THR 72 HG1 THR 72 5.695 -10.058 12.246 551 HG21 THR 72 HG21 THR 72 5.055 -7.115 13.511 552 HG22 THR 72 HG22 THR 72 4.054 -7.900 12.290 553 HG23 THR 72 HG23 THR 72 4.916 -6.412 11.897 554 H LEU 73 H LEU 73 4.255 -7.102 9.438 555 HA LEU 73 HA LEU 73 2.255 -9.195 9.669 556 HB2 LEU 73 HB2 LEU 73 2.041 -6.376 8.611 557 HB3 LEU 73 HB3 LEU 73 0.703 -7.476 8.856 558 HG LEU 73 HG LEU 73 2.456 -6.360 11.036 559 HD11 LEU 73 HD11 LEU 73 1.024 -4.661 10.049 560 HD12 LEU 73 HD12 LEU 73 0.467 -5.086 11.667 561 HD13 LEU 73 HD13 LEU 73 -0.380 -5.709 10.252 562 HD21 LEU 73 HD21 LEU 73 1.625 -8.577 11.588 563 HD22 LEU 73 HD22 LEU 73 -0.014 -8.089 11.163 564 HD23 LEU 73 HD23 LEU 73 0.792 -7.354 12.547 565 H GLU 74 H GLU 74 4.349 -7.751 7.348 566 HA GLU 74 HA GLU 74 4.639 -7.945 5.122 567 HB2 GLU 74 HB2 GLU 74 3.963 -10.674 6.063 568 HB3 GLU 74 HB3 GLU 74 4.417 -10.399 4.377 569 HG2 GLU 74 HG2 GLU 74 6.537 -9.439 5.168 570 HG3 GLU 74 HG3 GLU 74 6.051 -9.782 6.827 571 H MET 75 H MET 75 1.986 -7.069 5.850 572 HA MET 75 HA MET 75 0.110 -8.340 4.100 573 HB2 MET 75 HB2 MET 75 -0.061 -5.744 5.629 574 HB3 MET 75 HB3 MET 75 -1.390 -6.488 4.752 575 HG2 MET 75 HG2 MET 75 -1.258 -8.430 6.217 576 HG3 MET 75 HG3 MET 75 0.060 -7.671 7.094 577 HE1 MET 75 HE1 MET 75 -2.852 -7.396 9.687 578 HE2 MET 75 HE2 MET 75 -1.180 -7.886 9.427 579 HE3 MET 75 HE3 MET 75 -2.485 -8.738 8.604 580 H GLU 76 H GLU 76 -0.917 -7.368 2.328 581 HA GLU 76 HA GLU 76 0.256 -5.033 1.142 582 HB2 GLU 76 HB2 GLU 76 0.734 -6.167 -0.998 583 HB3 GLU 76 HB3 GLU 76 1.765 -6.740 0.302 584 HG2 GLU 76 HG2 GLU 76 0.357 -8.716 0.537 585 HG3 GLU 76 HG3 GLU 76 -0.661 -8.142 -0.785 586 H ASP 77 H ASP 77 -0.912 -5.086 -1.280 587 HA ASP 77 HA ASP 77 -3.508 -4.405 -0.654 588 HB2 ASP 77 HB2 ASP 77 -2.223 -5.020 -3.285 589 HB3 ASP 77 HB3 ASP 77 -3.928 -4.598 -3.176 590 H ASP 78 H ASP 78 -5.190 -5.417 -0.208 591 HA ASP 78 HA ASP 78 -6.970 -6.792 -0.259 592 HB2 ASP 78 HB2 ASP 78 -6.500 -6.646 -2.780 593 HB3 ASP 78 HB3 ASP 78 -5.809 -8.258 -2.606 594 H ASP 79 H ASP 79 -4.687 -7.358 1.330 595 HA ASP 79 HA ASP 79 -4.147 -10.157 1.345 596 HB2 ASP 79 HB2 ASP 79 -2.935 -8.075 2.548 597 HB3 ASP 79 HB3 ASP 79 -3.940 -8.639 3.880 598 H VAL 80 H VAL 80 -4.592 -11.244 3.633 599 HA VAL 80 HA VAL 80 -7.523 -11.206 3.844 600 HB VAL 80 HB VAL 80 -7.342 -13.605 4.504 601 HG11 VAL 80 HG11 VAL 80 -6.813 -14.415 2.220 602 HG12 VAL 80 HG12 VAL 80 -6.176 -12.811 1.838 603 HG13 VAL 80 HG13 VAL 80 -7.884 -13.013 2.224 604 HG21 VAL 80 HG21 VAL 80 -5.208 -14.769 3.991 605 HG22 VAL 80 HG22 VAL 80 -5.067 -13.627 5.330 606 HG23 VAL 80 HG23 VAL 80 -4.452 -13.192 3.738 607 H ILE 81 H ILE 81 -8.468 -11.097 5.757 608 HA ILE 81 HA ILE 81 -6.839 -11.119 8.184 609 HB ILE 81 HB ILE 81 -8.645 -8.975 7.158 610 HG12 ILE 81 HG12 ILE 81 -6.266 -8.746 6.775 611 HG13 ILE 81 HG13 ILE 81 -6.825 -7.514 7.901 612 HG21 ILE 81 HG21 ILE 81 -8.728 -7.927 9.345 613 HG22 ILE 81 HG22 ILE 81 -8.041 -9.390 10.068 614 HG23 ILE 81 HG23 ILE 81 -9.621 -9.443 9.271 615 HD11 ILE 81 HD11 ILE 81 -4.724 -8.347 8.645 616 HD12 ILE 81 HD12 ILE 81 -5.296 -10.010 8.557 617 HD13 ILE 81 HD13 ILE 81 -5.978 -8.907 9.751 618 H GLU 82 H GLU 82 -7.780 -12.006 9.981 619 HA GLU 82 HA GLU 82 -10.393 -13.288 9.515 620 HB2 GLU 82 HB2 GLU 82 -8.207 -14.045 11.456 621 HB3 GLU 82 HB3 GLU 82 -9.676 -14.953 11.138 622 HG2 GLU 82 HG2 GLU 82 -8.952 -15.365 8.850 623 HG3 GLU 82 HG3 GLU 82 -7.488 -14.429 9.138 624 H VAL 83 H VAL 83 -12.003 -13.087 11.044 625 HA VAL 83 HA VAL 83 -11.434 -11.343 13.345 626 HB VAL 83 HB VAL 83 -13.927 -11.307 11.637 627 HG11 VAL 83 HG11 VAL 83 -14.514 -11.057 14.001 628 HG12 VAL 83 HG12 VAL 83 -14.735 -9.539 13.130 629 HG13 VAL 83 HG13 VAL 83 -13.323 -9.766 14.162 630 HG21 VAL 83 HG21 VAL 83 -13.311 -9.025 11.183 631 HG22 VAL 83 HG22 VAL 83 -11.993 -10.113 10.734 632 HG23 VAL 83 HG23 VAL 83 -11.904 -9.180 12.234 633 H TYR 84 H TYR 84 -12.098 -11.991 15.244 634 HA TYR 84 HA TYR 84 -13.565 -14.499 15.394 635 HB2 TYR 84 HB2 TYR 84 -11.655 -13.122 17.253 636 HB3 TYR 84 HB3 TYR 84 -12.719 -14.402 17.826 637 HD1 TYR 84 HD1 TYR 84 -10.068 -13.652 15.320 638 HD2 TYR 84 HD2 TYR 84 -12.176 -16.662 17.468 639 HE1 TYR 84 HE1 TYR 84 -8.503 -15.343 14.484 640 HE2 TYR 84 HE2 TYR 84 -10.603 -18.356 16.636 641 HH TYR 84 HH TYR 84 -9.061 -18.707 14.847 642 H GLN 85 H GLN 85 -14.958 -14.658 17.455 643 HA GLN 85 HA GLN 85 -17.105 -12.881 16.967 644 HB2 GLN 85 HB2 GLN 85 -17.360 -15.257 17.606 645 HB3 GLN 85 HB3 GLN 85 -16.728 -14.882 19.197 646 HG2 GLN 85 HG2 GLN 85 -18.642 -13.451 19.635 647 HG3 GLN 85 HG3 GLN 85 -19.269 -13.784 18.020 648 HE21 GLN 85 HE21 GLN 85 -21.146 -14.749 18.716 649 HE22 GLN 85 HE22 GLN 85 -21.166 -16.285 19.518 650 H GLU 86 H GLU 86 -17.525 -11.021 17.821 651 HA GLU 86 HA GLU 86 -15.816 -9.892 19.833 652 HB2 GLU 86 HB2 GLU 86 -18.262 -8.587 18.719 653 HB3 GLU 86 HB3 GLU 86 -16.781 -7.853 19.317 654 HG2 GLU 86 HG2 GLU 86 -16.451 -7.585 17.144 655 HG3 GLU 86 HG3 GLU 86 -15.743 -9.187 17.331 656 H GLN 87 H GLN 87 -16.654 -8.703 21.603 657 HA GLN 87 HA GLN 87 -18.417 -10.267 23.210 658 HB2 GLN 87 HB2 GLN 87 -16.555 -8.893 24.127 659 HB3 GLN 87 HB3 GLN 87 -17.460 -7.446 23.708 660 HG2 GLN 87 HG2 GLN 87 -17.688 -7.967 26.057 661 HG3 GLN 87 HG3 GLN 87 -19.237 -8.107 25.228 662 HE21 GLN 87 HE21 GLN 87 -16.618 -9.859 26.700 663 HE22 GLN 87 HE22 GLN 87 -17.464 -11.352 26.901 664 H LEU 88 H LEU 88 -18.740 -7.257 21.394 665 HA LEU 88 HA LEU 88 -21.579 -7.177 22.098 666 HB2 LEU 88 HB2 LEU 88 -19.654 -5.064 21.205 667 HB3 LEU 88 HB3 LEU 88 -21.358 -4.853 20.854 668 HG LEU 88 HG LEU 88 -21.789 -5.059 23.321 669 HD11 LEU 88 HD11 LEU 88 -19.781 -6.250 23.961 670 HD12 LEU 88 HD12 LEU 88 -19.902 -4.723 24.836 671 HD13 LEU 88 HD13 LEU 88 -18.789 -4.875 23.478 672 HD21 LEU 88 HD21 LEU 88 -21.715 -2.896 22.218 673 HD22 LEU 88 HD22 LEU 88 -19.963 -2.837 22.416 674 HD23 LEU 88 HD23 LEU 88 -21.011 -2.793 23.833 675 H GLY 89 H GLY 89 -19.786 -8.575 19.884 676 HA2 GLY 89 HA2 GLY 89 -21.354 -7.845 17.533 677 HA3 GLY 89 HA3 GLY 89 -19.953 -8.908 17.558 678 H GLY 90 H GLY 90 -21.356 -10.287 16.211 679 HA2 GLY 90 HA2 GLY 90 -23.419 -11.666 17.777 680 HA3 GLY 90 HA3 GLY 90 -23.244 -11.733 16.028 Start of MODEL 6 1 H MET 1 H MET 1 13.235 -6.813 -19.481 2 HA MET 1 HA MET 1 13.027 -8.046 -17.478 3 HB2 MET 1 HB2 MET 1 15.307 -8.884 -17.319 4 HB3 MET 1 HB3 MET 1 15.911 -7.259 -17.039 5 HG2 MET 1 HG2 MET 1 15.811 -8.532 -14.972 6 HG3 MET 1 HG3 MET 1 14.711 -7.156 -14.928 7 HE1 MET 1 HE1 MET 1 15.107 -11.006 -15.083 8 HE2 MET 1 HE2 MET 1 14.318 -10.735 -16.637 9 HE3 MET 1 HE3 MET 1 13.460 -11.575 -15.346 10 H ALA 2 H ALA 2 11.657 -6.832 -16.465 11 HA ALA 2 HA ALA 2 12.444 -4.344 -15.236 12 HB1 ALA 2 HB1 ALA 2 10.281 -4.431 -17.345 13 HB2 ALA 2 HB2 ALA 2 11.822 -3.583 -17.471 14 HB3 ALA 2 HB3 ALA 2 10.621 -3.059 -16.292 15 H ASP 3 H ASP 3 10.756 -3.594 -13.742 16 HA ASP 3 HA ASP 3 9.413 -5.855 -12.571 17 HB2 ASP 3 HB2 ASP 3 8.884 -4.401 -10.726 18 HB3 ASP 3 HB3 ASP 3 10.547 -4.082 -11.199 19 H ASP 4 H ASP 4 7.080 -5.259 -11.670 20 HA ASP 4 HA ASP 4 5.467 -5.189 -14.003 21 HB2 ASP 4 HB2 ASP 4 4.988 -6.437 -11.807 22 HB3 ASP 4 HB3 ASP 4 4.372 -4.895 -11.220 23 H ALA 5 H ALA 5 6.306 -2.867 -11.548 24 HA ALA 5 HA ALA 5 6.055 -0.635 -11.355 25 HB1 ALA 5 HB1 ALA 5 5.445 -0.733 -14.310 26 HB2 ALA 5 HB2 ALA 5 7.053 -0.620 -13.594 27 HB3 ALA 5 HB3 ALA 5 5.900 0.700 -13.388 28 H ALA 6 H ALA 6 3.789 -2.358 -10.896 29 HA ALA 6 HA ALA 6 1.531 -0.702 -11.708 30 HB1 ALA 6 HB1 ALA 6 1.544 -3.348 -10.269 31 HB2 ALA 6 HB2 ALA 6 1.349 -3.129 -12.007 32 HB3 ALA 6 HB3 ALA 6 0.128 -2.506 -10.897 33 H GLN 7 H GLN 7 0.518 0.620 -10.356 34 HA GLN 7 HA GLN 7 0.787 0.298 -7.489 35 HB2 GLN 7 HB2 GLN 7 1.450 2.616 -7.164 36 HB3 GLN 7 HB3 GLN 7 2.649 1.762 -8.127 37 HG2 GLN 7 HG2 GLN 7 1.908 2.819 -10.129 38 HG3 GLN 7 HG3 GLN 7 0.508 3.511 -9.310 39 HE21 GLN 7 HE21 GLN 7 2.674 4.810 -10.788 40 HE22 GLN 7 HE22 GLN 7 3.376 5.946 -9.688 41 H ALA 8 H ALA 8 -0.725 1.683 -6.338 42 HA ALA 8 HA ALA 8 -3.291 1.708 -7.469 43 HB1 ALA 8 HB1 ALA 8 -2.887 1.564 -5.059 44 HB2 ALA 8 HB2 ALA 8 -3.955 2.913 -5.447 45 HB3 ALA 8 HB3 ALA 8 -2.260 3.211 -5.063 46 H GLY 9 H GLY 9 -0.805 4.158 -7.140 47 HA2 GLY 9 HA2 GLY 9 -0.555 5.963 -8.648 48 HA3 GLY 9 HA3 GLY 9 -2.270 5.841 -9.026 49 H ASP 10 H ASP 10 -2.337 5.495 -5.934 50 HA ASP 10 HA ASP 10 -3.312 8.057 -5.279 51 HB2 ASP 10 HB2 ASP 10 -2.337 5.818 -3.496 52 HB3 ASP 10 HB3 ASP 10 -3.129 7.268 -2.897 53 H ASN 11 H ASN 11 -0.186 6.517 -4.864 54 HA ASN 11 HA ASN 11 1.814 7.181 -4.041 55 HB2 ASN 11 HB2 ASN 11 1.515 8.807 -6.006 56 HB3 ASN 11 HB3 ASN 11 1.037 10.005 -4.806 57 HD21 ASN 11 HD21 ASN 11 2.793 11.328 -5.217 58 HD22 ASN 11 HD22 ASN 11 4.402 10.908 -4.758 59 H ALA 12 H ALA 12 0.128 6.729 -2.159 60 HA ALA 12 HA ALA 12 0.177 8.969 -0.336 61 HB1 ALA 12 HB1 ALA 12 -1.763 6.688 -0.585 62 HB2 ALA 12 HB2 ALA 12 -2.069 8.372 -1.009 63 HB3 ALA 12 HB3 ALA 12 -1.793 7.923 0.680 64 H GLU 13 H GLU 13 -0.157 7.852 1.931 65 HA GLU 13 HA GLU 13 2.108 6.053 2.075 66 HB2 GLU 13 HB2 GLU 13 0.933 7.923 4.060 67 HB3 GLU 13 HB3 GLU 13 2.371 6.935 4.345 68 HG2 GLU 13 HG2 GLU 13 2.033 9.174 2.364 69 HG3 GLU 13 HG3 GLU 13 3.027 9.200 3.822 70 H TYR 14 H TYR 14 -0.551 5.234 1.559 71 HA TYR 14 HA TYR 14 -0.900 3.452 3.852 72 HB2 TYR 14 HB2 TYR 14 -3.197 4.847 2.476 73 HB3 TYR 14 HB3 TYR 14 -3.323 3.605 3.718 74 HD1 TYR 14 HD1 TYR 14 -2.677 7.101 3.061 75 HD2 TYR 14 HD2 TYR 14 -2.612 4.069 6.029 76 HE1 TYR 14 HE1 TYR 14 -2.580 8.828 4.818 77 HE2 TYR 14 HE2 TYR 14 -2.518 5.776 7.791 78 HH TYR 14 HH TYR 14 -1.729 8.187 7.970 79 H ILE 15 H ILE 15 -2.051 1.533 3.431 80 HA ILE 15 HA ILE 15 -1.766 0.571 0.656 81 HB ILE 15 HB ILE 15 -0.985 -1.532 1.552 82 HG12 ILE 15 HG12 ILE 15 -1.461 -0.314 4.273 83 HG13 ILE 15 HG13 ILE 15 -2.443 -1.553 3.489 84 HG21 ILE 15 HG21 ILE 15 0.424 0.733 2.922 85 HG22 ILE 15 HG22 ILE 15 0.707 0.178 1.272 86 HG23 ILE 15 HG23 ILE 15 1.087 -0.875 2.636 87 HD11 ILE 15 HD11 ILE 15 -0.938 -2.437 5.205 88 HD12 ILE 15 HD12 ILE 15 0.441 -1.884 4.250 89 HD13 ILE 15 HD13 ILE 15 -0.644 -3.119 3.602 90 H LYS 16 H LYS 16 -3.141 -1.348 0.263 91 HA LYS 16 HA LYS 16 -5.751 -1.017 1.556 92 HB2 LYS 16 HB2 LYS 16 -4.763 -2.217 -0.952 93 HB3 LYS 16 HB3 LYS 16 -6.205 -2.941 -0.258 94 HG2 LYS 16 HG2 LYS 16 -7.173 -1.417 -1.622 95 HG3 LYS 16 HG3 LYS 16 -6.990 -0.407 -0.186 96 HD2 LYS 16 HD2 LYS 16 -6.056 1.017 -1.688 97 HD3 LYS 16 HD3 LYS 16 -4.620 0.043 -1.374 98 HE2 LYS 16 HE2 LYS 16 -6.576 -0.371 -3.640 99 HE3 LYS 16 HE3 LYS 16 -4.986 0.372 -3.780 100 HZ1 LYS 16 HZ1 LYS 16 -4.916 -1.929 -4.469 101 HZ2 LYS 16 HZ2 LYS 16 -5.525 -2.441 -2.978 102 HZ3 LYS 16 HZ3 LYS 16 -3.996 -1.719 -3.065 103 H ILE 17 H ILE 17 -6.746 -2.626 2.739 104 HA ILE 17 HA ILE 17 -5.472 -5.235 2.767 105 HB ILE 17 HB ILE 17 -6.157 -3.745 5.304 106 HG12 ILE 17 HG12 ILE 17 -3.572 -4.958 4.296 107 HG13 ILE 17 HG13 ILE 17 -3.949 -3.240 4.357 108 HG21 ILE 17 HG21 ILE 17 -5.413 -6.644 4.905 109 HG22 ILE 17 HG22 ILE 17 -6.948 -6.018 5.511 110 HG23 ILE 17 HG23 ILE 17 -5.476 -5.823 6.462 111 HD11 ILE 17 HD11 ILE 17 -2.538 -3.789 6.193 112 HD12 ILE 17 HD12 ILE 17 -3.600 -5.111 6.673 113 HD13 ILE 17 HD13 ILE 17 -4.151 -3.445 6.816 114 H LYS 18 H LYS 18 -6.789 -6.905 2.755 115 HA LYS 18 HA LYS 18 -9.642 -6.290 2.720 116 HB2 LYS 18 HB2 LYS 18 -8.590 -9.013 2.113 117 HB3 LYS 18 HB3 LYS 18 -9.960 -8.172 1.424 118 HG2 LYS 18 HG2 LYS 18 -8.206 -6.682 0.204 119 HG3 LYS 18 HG3 LYS 18 -7.058 -7.910 0.721 120 HD2 LYS 18 HD2 LYS 18 -9.543 -8.476 -0.886 121 HD3 LYS 18 HD3 LYS 18 -7.915 -8.330 -1.547 122 HE2 LYS 18 HE2 LYS 18 -7.188 -10.222 -0.186 123 HE3 LYS 18 HE3 LYS 18 -8.804 -10.356 0.504 124 HZ1 LYS 18 HZ1 LYS 18 -9.676 -10.901 -1.644 125 HZ2 LYS 18 HZ2 LYS 18 -8.393 -11.947 -1.304 126 HZ3 LYS 18 HZ3 LYS 18 -8.172 -10.659 -2.375 127 H VAL 19 H VAL 19 -10.427 -6.353 4.760 128 HA VAL 19 HA VAL 19 -9.556 -8.259 6.716 129 HB VAL 19 HB VAL 19 -11.888 -6.314 6.674 130 HG11 VAL 19 HG11 VAL 19 -10.773 -7.815 9.021 131 HG12 VAL 19 HG12 VAL 19 -12.259 -8.223 8.166 132 HG13 VAL 19 HG13 VAL 19 -12.133 -6.689 9.023 133 HG21 VAL 19 HG21 VAL 19 -9.736 -5.170 6.643 134 HG22 VAL 19 HG22 VAL 19 -9.204 -6.107 8.039 135 HG23 VAL 19 HG23 VAL 19 -10.530 -4.956 8.204 136 H VAL 20 H VAL 20 -10.247 -10.330 6.633 137 HA VAL 20 HA VAL 20 -12.889 -10.873 5.455 138 HB VAL 20 HB VAL 20 -10.526 -12.751 5.721 139 HG11 VAL 20 HG11 VAL 20 -12.663 -13.916 5.815 140 HG12 VAL 20 HG12 VAL 20 -11.821 -14.268 4.306 141 HG13 VAL 20 HG13 VAL 20 -13.169 -13.132 4.318 142 HG21 VAL 20 HG21 VAL 20 -10.337 -12.576 3.279 143 HG22 VAL 20 HG22 VAL 20 -10.085 -11.018 4.065 144 HG23 VAL 20 HG23 VAL 20 -11.619 -11.365 3.272 145 H GLY 21 H GLY 21 -14.374 -11.353 6.882 146 HA2 GLY 21 HA2 GLY 21 -13.572 -12.267 9.555 147 HA3 GLY 21 HA3 GLY 21 -15.176 -11.710 9.096 148 H GLN 22 H GLN 22 -15.065 -13.886 10.630 149 HA GLN 22 HA GLN 22 -14.871 -16.325 9.221 150 HB2 GLN 22 HB2 GLN 22 -16.242 -15.618 11.811 151 HB3 GLN 22 HB3 GLN 22 -16.207 -17.254 11.172 152 HG2 GLN 22 HG2 GLN 22 -13.811 -17.318 11.328 153 HG3 GLN 22 HG3 GLN 22 -13.760 -15.620 11.796 154 HE21 GLN 22 HE21 GLN 22 -12.810 -18.040 13.147 155 HE22 GLN 22 HE22 GLN 22 -13.553 -18.033 14.708 156 H ASP 23 H ASP 23 -17.356 -14.034 9.636 157 HA ASP 23 HA ASP 23 -19.523 -15.567 8.616 158 HB2 ASP 23 HB2 ASP 23 -19.883 -13.509 9.891 159 HB3 ASP 23 HB3 ASP 23 -19.030 -12.573 8.673 160 H SER 24 H SER 24 -16.717 -14.975 7.190 161 HA SER 24 HA SER 24 -15.869 -14.962 5.103 162 HB2 SER 24 HB2 SER 24 -18.728 -15.477 4.225 163 HB3 SER 24 HB3 SER 24 -17.297 -15.649 3.207 164 HG SER 24 HG SER 24 -18.169 -17.238 5.357 165 H ASN 25 H ASN 25 -16.856 -12.668 6.481 166 HA ASN 25 HA ASN 25 -17.804 -10.879 4.375 167 HB2 ASN 25 HB2 ASN 25 -18.839 -10.726 6.595 168 HB3 ASN 25 HB3 ASN 25 -17.285 -10.279 7.294 169 HD21 ASN 25 HD21 ASN 25 -17.893 -8.252 7.983 170 HD22 ASN 25 HD22 ASN 25 -18.300 -6.968 6.903 171 H GLU 26 H GLU 26 -16.254 -10.315 3.076 172 HA GLU 26 HA GLU 26 -13.698 -9.425 4.180 173 HB2 GLU 26 HB2 GLU 26 -13.451 -10.993 2.385 174 HB3 GLU 26 HB3 GLU 26 -14.522 -10.055 1.350 175 HG2 GLU 26 HG2 GLU 26 -12.826 -8.191 1.493 176 HG3 GLU 26 HG3 GLU 26 -11.756 -9.333 2.299 177 H VAL 27 H VAL 27 -13.213 -7.379 4.280 178 HA VAL 27 HA VAL 27 -14.698 -5.468 2.638 179 HB VAL 27 HB VAL 27 -15.759 -5.406 4.824 180 HG11 VAL 27 HG11 VAL 27 -14.544 -4.856 6.837 181 HG12 VAL 27 HG12 VAL 27 -13.032 -4.823 5.927 182 HG13 VAL 27 HG13 VAL 27 -13.917 -6.340 6.116 183 HG21 VAL 27 HG21 VAL 27 -13.952 -3.027 4.408 184 HG22 VAL 27 HG22 VAL 27 -15.414 -3.047 5.396 185 HG23 VAL 27 HG23 VAL 27 -15.524 -3.287 3.652 186 H HIS 28 H HIS 28 -13.562 -3.752 1.929 187 HA HIS 28 HA HIS 28 -10.679 -4.085 2.144 188 HB2 HIS 28 HB2 HIS 28 -12.380 -2.496 0.236 189 HB3 HIS 28 HB3 HIS 28 -10.619 -2.567 0.170 190 HD2 HIS 28 HD2 HIS 28 -10.837 -5.994 0.781 191 HE1 HIS 28 HE1 HIS 28 -12.385 -5.862 -3.158 192 HE2 HIS 28 HE2 HIS 28 -11.650 -7.345 -1.257 193 H PHE 29 H PHE 29 -9.725 -2.987 3.637 194 HA PHE 29 HA PHE 29 -10.603 -0.244 4.213 195 HB2 PHE 29 HB2 PHE 29 -9.314 -2.334 5.901 196 HB3 PHE 29 HB3 PHE 29 -9.069 -0.648 6.295 197 HD1 PHE 29 HD1 PHE 29 -11.339 -3.453 6.434 198 HD2 PHE 29 HD2 PHE 29 -11.044 0.770 6.827 199 HE1 PHE 29 HE1 PHE 29 -13.468 -3.410 7.632 200 HE2 PHE 29 HE2 PHE 29 -13.176 0.809 8.032 201 HZ PHE 29 HZ PHE 29 -14.396 -1.284 8.440 202 H ARG 30 H ARG 30 -9.138 1.394 4.308 203 HA ARG 30 HA ARG 30 -6.538 0.787 3.108 204 HB2 ARG 30 HB2 ARG 30 -8.042 2.484 1.973 205 HB3 ARG 30 HB3 ARG 30 -7.823 3.509 3.386 206 HG2 ARG 30 HG2 ARG 30 -6.260 4.260 1.768 207 HG3 ARG 30 HG3 ARG 30 -5.347 3.361 2.969 208 HD2 ARG 30 HD2 ARG 30 -5.291 1.414 1.574 209 HD3 ARG 30 HD3 ARG 30 -6.339 2.177 0.386 210 HE ARG 30 HE ARG 30 -3.511 2.749 0.871 211 HH11 ARG 30 HH11 ARG 30 -6.416 3.362 -1.024 212 HH12 ARG 30 HH12 ARG 30 -5.538 4.069 -2.347 213 HH21 ARG 30 HH21 ARG 30 -2.377 3.678 -0.901 214 HH22 ARG 30 HH22 ARG 30 -3.283 4.245 -2.276 215 H VAL 31 H VAL 31 -4.951 0.705 4.453 216 HA VAL 31 HA VAL 31 -4.884 2.408 6.842 217 HB VAL 31 HB VAL 31 -4.133 0.560 8.263 218 HG11 VAL 31 HG11 VAL 31 -6.833 0.081 7.005 219 HG12 VAL 31 HG12 VAL 31 -6.478 1.184 8.335 220 HG13 VAL 31 HG13 VAL 31 -6.303 -0.557 8.561 221 HG21 VAL 31 HG21 VAL 31 -4.417 -1.742 7.567 222 HG22 VAL 31 HG22 VAL 31 -3.255 -0.905 6.536 223 HG23 VAL 31 HG23 VAL 31 -4.894 -1.213 5.955 224 H LYS 32 H LYS 32 -2.657 2.013 7.923 225 HA LYS 32 HA LYS 32 -0.718 2.527 5.817 226 HB2 LYS 32 HB2 LYS 32 -1.061 3.991 7.872 227 HB3 LYS 32 HB3 LYS 32 -0.347 2.693 8.798 228 HG2 LYS 32 HG2 LYS 32 1.707 2.872 7.518 229 HG3 LYS 32 HG3 LYS 32 1.007 4.180 6.568 230 HD2 LYS 32 HD2 LYS 32 0.741 5.511 8.612 231 HD3 LYS 32 HD3 LYS 32 1.482 4.202 9.538 232 HE2 LYS 32 HE2 LYS 32 3.538 4.446 8.251 233 HE3 LYS 32 HE3 LYS 32 2.802 5.740 7.308 234 HZ1 LYS 32 HZ1 LYS 32 4.199 6.628 9.043 235 HZ2 LYS 32 HZ2 LYS 32 3.327 5.797 10.230 236 HZ3 LYS 32 HZ3 LYS 32 2.587 7.035 9.348 237 H TYR 33 H TYR 33 1.384 1.465 5.855 238 HA TYR 33 HA TYR 33 1.500 -1.281 6.226 239 HB2 TYR 33 HB2 TYR 33 3.683 0.799 6.400 240 HB3 TYR 33 HB3 TYR 33 4.022 -0.918 6.510 241 HD1 TYR 33 HD1 TYR 33 3.416 1.869 4.317 242 HD2 TYR 33 HD2 TYR 33 3.537 -2.372 4.518 243 HE1 TYR 33 HE1 TYR 33 3.651 1.770 1.870 244 HE2 TYR 33 HE2 TYR 33 3.768 -2.490 2.074 245 HH TYR 33 HH TYR 33 4.471 0.243 0.158 246 H GLY 34 H GLY 34 2.162 1.329 8.497 247 HA2 GLY 34 HA2 GLY 34 2.857 -0.591 10.593 248 HA3 GLY 34 HA3 GLY 34 3.179 1.136 10.631 249 H THR 35 H THR 35 0.052 -0.051 9.633 250 HA THR 35 HA THR 35 -1.162 1.413 11.690 251 HB THR 35 HB THR 35 -2.081 -0.191 9.400 252 HG1 THR 35 HG1 THR 35 -1.912 2.355 10.149 253 HG21 THR 35 HG21 THR 35 -3.490 -1.136 11.060 254 HG22 THR 35 HG22 THR 35 -4.458 0.069 10.196 255 HG23 THR 35 HG23 THR 35 -3.779 0.435 11.789 256 H SER 36 H SER 36 -1.855 0.854 13.570 257 HA SER 36 HA SER 36 -1.370 -1.851 14.499 258 HB2 SER 36 HB2 SER 36 -1.873 0.752 15.905 259 HB3 SER 36 HB3 SER 36 -1.718 -0.795 16.748 260 HG SER 36 HG SER 36 0.348 -0.994 15.639 261 H MET 37 H MET 37 -2.929 -2.742 16.092 262 HA MET 37 HA MET 37 -5.263 -3.452 14.864 263 HB2 MET 37 HB2 MET 37 -6.015 -4.423 16.902 264 HB3 MET 37 HB3 MET 37 -4.268 -4.574 16.851 265 HG2 MET 37 HG2 MET 37 -4.009 -2.765 18.414 266 HG3 MET 37 HG3 MET 37 -5.742 -2.442 18.383 267 HE1 MET 37 HE1 MET 37 -5.239 -3.839 21.995 268 HE2 MET 37 HE2 MET 37 -5.800 -2.489 21.010 269 HE3 MET 37 HE3 MET 37 -4.078 -2.855 21.105 270 H ALA 38 H ALA 38 -4.933 -0.684 17.056 271 HA ALA 38 HA ALA 38 -7.669 -0.319 17.536 272 HB1 ALA 38 HB1 ALA 38 -7.131 1.879 18.317 273 HB2 ALA 38 HB2 ALA 38 -5.560 1.816 17.518 274 HB3 ALA 38 HB3 ALA 38 -5.905 0.737 18.876 275 H LYS 39 H LYS 39 -5.638 0.799 14.921 276 HA LYS 39 HA LYS 39 -7.316 2.820 13.923 277 HB2 LYS 39 HB2 LYS 39 -5.417 1.040 12.365 278 HB3 LYS 39 HB3 LYS 39 -6.058 2.580 11.849 279 HG2 LYS 39 HG2 LYS 39 -4.296 2.226 14.260 280 HG3 LYS 39 HG3 LYS 39 -3.721 2.744 12.681 281 HD2 LYS 39 HD2 LYS 39 -5.265 4.671 12.810 282 HD3 LYS 39 HD3 LYS 39 -5.732 4.148 14.431 283 HE2 LYS 39 HE2 LYS 39 -3.404 4.416 15.165 284 HE3 LYS 39 HE3 LYS 39 -2.968 4.970 13.549 285 HZ1 LYS 39 HZ1 LYS 39 -4.774 6.308 15.481 286 HZ2 LYS 39 HZ2 LYS 39 -4.621 6.789 13.868 287 HZ3 LYS 39 HZ3 LYS 39 -3.289 6.874 14.900 288 H LEU 40 H LEU 40 -7.183 -0.645 13.308 289 HA LEU 40 HA LEU 40 -9.301 -0.470 11.338 290 HB2 LEU 40 HB2 LEU 40 -9.002 -2.999 11.235 291 HB3 LEU 40 HB3 LEU 40 -7.715 -1.991 10.618 292 HG LEU 40 HG LEU 40 -7.490 -2.999 13.440 293 HD11 LEU 40 HD11 LEU 40 -6.921 -4.607 10.953 294 HD12 LEU 40 HD12 LEU 40 -8.150 -4.968 12.166 295 HD13 LEU 40 HD13 LEU 40 -6.440 -5.043 12.591 296 HD21 LEU 40 HD21 LEU 40 -5.524 -2.577 11.188 297 HD22 LEU 40 HD22 LEU 40 -5.129 -2.997 12.854 298 HD23 LEU 40 HD23 LEU 40 -5.846 -1.430 12.484 299 H LYS 41 H LYS 41 -8.807 -1.856 14.545 300 HA LYS 41 HA LYS 41 -11.276 -3.199 14.727 301 HB2 LYS 41 HB2 LYS 41 -9.413 -2.110 16.812 302 HB3 LYS 41 HB3 LYS 41 -10.830 -3.080 17.187 303 HG2 LYS 41 HG2 LYS 41 -9.966 -4.940 16.066 304 HG3 LYS 41 HG3 LYS 41 -8.656 -4.000 15.350 305 HD2 LYS 41 HD2 LYS 41 -7.754 -5.256 17.130 306 HD3 LYS 41 HD3 LYS 41 -7.846 -3.563 17.629 307 HE2 LYS 41 HE2 LYS 41 -9.856 -4.019 18.918 308 HE3 LYS 41 HE3 LYS 41 -9.873 -5.689 18.353 309 HZ1 LYS 41 HZ1 LYS 41 -7.724 -6.003 19.482 310 HZ2 LYS 41 HZ2 LYS 41 -8.963 -5.594 20.553 311 HZ3 LYS 41 HZ3 LYS 41 -7.830 -4.431 20.100 312 H LYS 42 H LYS 42 -10.286 -0.034 15.857 313 HA LYS 42 HA LYS 42 -12.785 0.687 16.904 314 HB2 LYS 42 HB2 LYS 42 -10.795 2.026 17.357 315 HB3 LYS 42 HB3 LYS 42 -10.666 2.454 15.656 316 HG2 LYS 42 HG2 LYS 42 -12.802 3.654 15.800 317 HG3 LYS 42 HG3 LYS 42 -12.912 3.234 17.510 318 HD2 LYS 42 HD2 LYS 42 -10.627 4.799 16.316 319 HD3 LYS 42 HD3 LYS 42 -12.056 5.550 17.025 320 HE2 LYS 42 HE2 LYS 42 -10.168 3.681 18.456 321 HE3 LYS 42 HE3 LYS 42 -10.166 5.437 18.600 322 HZ1 LYS 42 HZ1 LYS 42 -12.439 5.308 19.470 323 HZ2 LYS 42 HZ2 LYS 42 -11.351 4.454 20.437 324 HZ3 LYS 42 HZ3 LYS 42 -12.382 3.622 19.398 325 H SER 43 H SER 43 -11.417 0.926 13.708 326 HA SER 43 HA SER 43 -13.504 2.464 12.558 327 HB2 SER 43 HB2 SER 43 -11.268 2.350 11.574 328 HB3 SER 43 HB3 SER 43 -11.473 0.634 11.247 329 HG SER 43 HG SER 43 -12.408 2.819 9.878 330 H TYR 44 H TYR 44 -12.816 -1.045 12.369 331 HA TYR 44 HA TYR 44 -15.116 -1.682 10.864 332 HB2 TYR 44 HB2 TYR 44 -13.056 -3.065 11.070 333 HB3 TYR 44 HB3 TYR 44 -13.537 -3.459 12.710 334 HD1 TYR 44 HD1 TYR 44 -14.040 -4.167 9.198 335 HD2 TYR 44 HD2 TYR 44 -15.548 -4.839 13.105 336 HE1 TYR 44 HE1 TYR 44 -15.340 -6.076 8.350 337 HE2 TYR 44 HE2 TYR 44 -16.853 -6.755 12.285 338 HH TYR 44 HH TYR 44 -17.666 -7.753 10.367 339 H ALA 45 H ALA 45 -14.439 -1.898 14.327 340 HA ALA 45 HA ALA 45 -16.907 -2.998 15.044 341 HB1 ALA 45 HB1 ALA 45 -14.989 -2.895 16.574 342 HB2 ALA 45 HB2 ALA 45 -16.461 -2.245 17.297 343 HB3 ALA 45 HB3 ALA 45 -15.208 -1.148 16.710 344 H ASP 46 H ASP 46 -15.883 0.212 14.382 345 HA ASP 46 HA ASP 46 -18.084 1.628 15.511 346 HB2 ASP 46 HB2 ASP 46 -15.962 2.714 14.932 347 HB3 ASP 46 HB3 ASP 46 -16.291 2.450 13.225 348 H ARG 47 H ARG 47 -17.408 0.518 12.215 349 HA ARG 47 HA ARG 47 -19.755 1.596 11.074 350 HB2 ARG 47 HB2 ARG 47 -19.247 0.285 9.117 351 HB3 ARG 47 HB3 ARG 47 -17.746 0.914 9.788 352 HG2 ARG 47 HG2 ARG 47 -17.153 -1.189 10.681 353 HG3 ARG 47 HG3 ARG 47 -18.739 -1.864 10.305 354 HD2 ARG 47 HD2 ARG 47 -16.793 -0.837 8.254 355 HD3 ARG 47 HD3 ARG 47 -16.963 -2.532 8.720 356 HE ARG 47 HE ARG 47 -19.483 -1.805 8.064 357 HH11 ARG 47 HH11 ARG 47 -16.456 -1.463 6.347 358 HH12 ARG 47 HH12 ARG 47 -17.161 -1.794 4.802 359 HH21 ARG 47 HH21 ARG 47 -20.406 -2.223 6.043 360 HH22 ARG 47 HH22 ARG 47 -19.418 -2.225 4.623 361 H THR 48 H THR 48 -19.142 -1.354 12.787 362 HA THR 48 HA THR 48 -21.727 -2.420 11.979 363 HB THR 48 HB THR 48 -19.931 -4.034 11.938 364 HG1 THR 48 HG1 THR 48 -22.013 -4.309 13.778 365 HG21 THR 48 HG21 THR 48 -18.401 -3.064 13.527 366 HG22 THR 48 HG22 THR 48 -18.775 -4.715 14.025 367 HG23 THR 48 HG23 THR 48 -19.538 -3.353 14.844 368 H GLY 49 H GLY 49 -20.524 -0.428 14.364 369 HA2 GLY 49 HA2 GLY 49 -21.573 0.529 16.170 370 HA3 GLY 49 HA3 GLY 49 -23.019 -0.358 15.725 371 H VAL 50 H VAL 50 -19.956 -1.889 16.434 372 HA VAL 50 HA VAL 50 -21.179 -3.041 18.855 373 HB VAL 50 HB VAL 50 -20.623 -4.519 16.766 374 HG11 VAL 50 HG11 VAL 50 -17.888 -4.349 17.989 375 HG12 VAL 50 HG12 VAL 50 -18.375 -3.698 16.423 376 HG13 VAL 50 HG13 VAL 50 -18.399 -5.438 16.699 377 HG21 VAL 50 HG21 VAL 50 -20.119 -6.437 18.181 378 HG22 VAL 50 HG22 VAL 50 -21.356 -5.413 18.912 379 HG23 VAL 50 HG23 VAL 50 -19.696 -5.354 19.506 380 H ALA 51 H ALA 51 -19.453 -3.804 20.448 381 HA ALA 51 HA ALA 51 -17.847 -1.679 21.286 382 HB1 ALA 51 HB1 ALA 51 -18.654 -3.445 22.783 383 HB2 ALA 51 HB2 ALA 51 -16.900 -3.287 22.883 384 HB3 ALA 51 HB3 ALA 51 -17.616 -4.614 21.968 385 H VAL 52 H VAL 52 -15.758 -1.142 20.928 386 HA VAL 52 HA VAL 52 -14.406 -2.061 18.644 387 HB VAL 52 HB VAL 52 -13.370 -0.516 21.034 388 HG11 VAL 52 HG11 VAL 52 -11.465 0.126 19.627 389 HG12 VAL 52 HG12 VAL 52 -12.032 -0.973 18.368 390 HG13 VAL 52 HG13 VAL 52 -11.505 -1.612 19.925 391 HG21 VAL 52 HG21 VAL 52 -15.094 0.661 19.820 392 HG22 VAL 52 HG22 VAL 52 -14.261 0.369 18.296 393 HG23 VAL 52 HG23 VAL 52 -13.532 1.418 19.512 394 H ASN 53 H ASN 53 -13.995 -2.738 22.061 395 HA ASN 53 HA ASN 53 -11.775 -4.474 21.712 396 HB2 ASN 53 HB2 ASN 53 -13.614 -3.954 24.036 397 HB3 ASN 53 HB3 ASN 53 -12.335 -5.162 24.106 398 HD21 ASN 53 HD21 ASN 53 -11.377 -3.953 25.786 399 HD22 ASN 53 HD22 ASN 53 -10.455 -2.531 25.445 400 H SER 54 H SER 54 -15.189 -4.932 21.412 401 HA SER 54 HA SER 54 -15.095 -7.758 21.881 402 HB2 SER 54 HB2 SER 54 -17.389 -7.842 21.111 403 HB3 SER 54 HB3 SER 54 -17.204 -6.468 22.194 404 HG SER 54 HG SER 54 -16.797 -5.367 19.964 405 H LEU 55 H LEU 55 -14.162 -5.767 19.359 406 HA LEU 55 HA LEU 55 -14.424 -7.843 17.329 407 HB2 LEU 55 HB2 LEU 55 -14.332 -5.020 17.298 408 HB3 LEU 55 HB3 LEU 55 -12.845 -5.556 16.547 409 HG LEU 55 HG LEU 55 -14.393 -5.199 14.806 410 HD11 LEU 55 HD11 LEU 55 -13.071 -7.248 14.571 411 HD12 LEU 55 HD12 LEU 55 -14.645 -7.386 13.788 412 HD13 LEU 55 HD13 LEU 55 -14.364 -8.168 15.342 413 HD21 LEU 55 HD21 LEU 55 -16.421 -5.140 16.080 414 HD22 LEU 55 HD22 LEU 55 -16.325 -6.876 16.375 415 HD23 LEU 55 HD23 LEU 55 -16.597 -6.272 14.739 416 H ARG 56 H ARG 56 -12.726 -9.094 16.716 417 HA ARG 56 HA ARG 56 -10.105 -8.382 17.789 418 HB2 ARG 56 HB2 ARG 56 -9.688 -10.856 18.162 419 HB3 ARG 56 HB3 ARG 56 -10.785 -10.081 19.290 420 HG2 ARG 56 HG2 ARG 56 -11.989 -11.405 16.928 421 HG3 ARG 56 HG3 ARG 56 -11.285 -12.440 18.168 422 HD2 ARG 56 HD2 ARG 56 -13.365 -10.304 18.661 423 HD3 ARG 56 HD3 ARG 56 -13.705 -12.025 18.504 424 HE ARG 56 HE ARG 56 -11.784 -11.305 20.559 425 HH11 ARG 56 HH11 ARG 56 -15.112 -12.141 19.803 426 HH12 ARG 56 HH12 ARG 56 -15.550 -12.419 21.457 427 HH21 ARG 56 HH21 ARG 56 -12.386 -11.692 22.764 428 HH22 ARG 56 HH22 ARG 56 -14.010 -12.155 23.133 429 H PHE 57 H PHE 57 -8.685 -8.188 16.287 430 HA PHE 57 HA PHE 57 -9.098 -9.560 13.718 431 HB2 PHE 57 HB2 PHE 57 -7.694 -6.991 14.432 432 HB3 PHE 57 HB3 PHE 57 -7.549 -7.766 12.860 433 HD1 PHE 57 HD1 PHE 57 -10.116 -6.516 15.217 434 HD2 PHE 57 HD2 PHE 57 -8.999 -7.178 11.197 435 HE1 PHE 57 HE1 PHE 57 -12.104 -5.282 14.467 436 HE2 PHE 57 HE2 PHE 57 -10.982 -5.964 10.430 437 HZ PHE 57 HZ PHE 57 -12.538 -5.015 12.063 438 H LEU 58 H LEU 58 -7.580 -10.894 12.984 439 HA LEU 58 HA LEU 58 -5.008 -10.948 14.378 440 HB2 LEU 58 HB2 LEU 58 -6.860 -13.201 13.778 441 HB3 LEU 58 HB3 LEU 58 -5.136 -13.495 13.724 442 HG LEU 58 HG LEU 58 -5.129 -12.479 16.104 443 HD11 LEU 58 HD11 LEU 58 -7.995 -13.292 15.977 444 HD12 LEU 58 HD12 LEU 58 -7.411 -11.629 16.024 445 HD13 LEU 58 HD13 LEU 58 -7.115 -12.708 17.389 446 HD21 LEU 58 HD21 LEU 58 -6.321 -15.187 15.584 447 HD22 LEU 58 HD22 LEU 58 -5.602 -14.654 17.103 448 HD23 LEU 58 HD23 LEU 58 -4.605 -14.787 15.657 449 H PHE 59 H PHE 59 -3.243 -11.400 13.176 450 HA PHE 59 HA PHE 59 -3.680 -11.533 10.275 451 HB2 PHE 59 HB2 PHE 59 -2.656 -9.388 10.925 452 HB3 PHE 59 HB3 PHE 59 -1.387 -10.258 11.780 453 HD1 PHE 59 HD1 PHE 59 -2.879 -9.885 8.419 454 HD2 PHE 59 HD2 PHE 59 0.561 -10.859 10.696 455 HE1 PHE 59 HE1 PHE 59 -1.553 -10.000 6.348 456 HE2 PHE 59 HE2 PHE 59 1.900 -10.991 8.638 457 HZ PHE 59 HZ PHE 59 0.843 -10.558 6.457 458 H ASP 60 H ASP 60 -3.127 -13.412 9.485 459 HA ASP 60 HA ASP 60 -2.188 -15.476 9.223 460 HB2 ASP 60 HB2 ASP 60 -0.271 -13.940 8.740 461 HB3 ASP 60 HB3 ASP 60 0.288 -14.194 10.386 462 H GLY 61 H GLY 61 -3.443 -14.877 11.778 463 HA2 GLY 61 HA2 GLY 61 -4.043 -16.436 13.436 464 HA3 GLY 61 HA3 GLY 61 -2.522 -17.278 13.158 465 H ARG 62 H ARG 62 -1.898 -14.007 13.445 466 HA ARG 62 HA ARG 62 -1.520 -14.285 16.360 467 HB2 ARG 62 HB2 ARG 62 0.477 -12.882 16.195 468 HB3 ARG 62 HB3 ARG 62 0.616 -14.292 15.156 469 HG2 ARG 62 HG2 ARG 62 1.516 -12.607 13.860 470 HG3 ARG 62 HG3 ARG 62 -0.136 -12.723 13.268 471 HD2 ARG 62 HD2 ARG 62 0.315 -10.413 13.468 472 HD3 ARG 62 HD3 ARG 62 -0.693 -10.821 14.855 473 HE ARG 62 HE ARG 62 2.005 -11.039 15.600 474 HH11 ARG 62 HH11 ARG 62 -0.344 -8.576 14.747 475 HH12 ARG 62 HH12 ARG 62 0.417 -7.309 15.636 476 HH21 ARG 62 HH21 ARG 62 3.044 -9.370 16.808 477 HH22 ARG 62 HH22 ARG 62 2.374 -7.784 16.831 478 H ARG 63 H ARG 63 -1.931 -12.605 17.633 479 HA ARG 63 HA ARG 63 -4.174 -11.074 16.785 480 HB2 ARG 63 HB2 ARG 63 -2.584 -11.060 19.339 481 HB3 ARG 63 HB3 ARG 63 -4.157 -10.302 19.108 482 HG2 ARG 63 HG2 ARG 63 -5.224 -12.388 18.793 483 HG3 ARG 63 HG3 ARG 63 -3.681 -13.232 18.673 484 HD2 ARG 63 HD2 ARG 63 -4.570 -13.671 20.812 485 HD3 ARG 63 HD3 ARG 63 -3.219 -12.563 21.003 486 HE ARG 63 HE ARG 63 -6.072 -11.834 21.222 487 HH11 ARG 63 HH11 ARG 63 -2.696 -11.116 21.887 488 HH12 ARG 63 HH12 ARG 63 -3.059 -9.857 23.015 489 HH21 ARG 63 HH21 ARG 63 -6.537 -10.147 22.732 490 HH22 ARG 63 HH22 ARG 63 -5.232 -9.308 23.497 491 H ILE 64 H ILE 64 -4.238 -9.110 16.021 492 HA ILE 64 HA ILE 64 -1.811 -7.577 15.704 493 HB ILE 64 HB ILE 64 -4.692 -6.834 15.041 494 HG12 ILE 64 HG12 ILE 64 -2.538 -7.893 13.197 495 HG13 ILE 64 HG13 ILE 64 -3.830 -8.880 13.868 496 HG21 ILE 64 HG21 ILE 64 -2.104 -5.669 14.010 497 HG22 ILE 64 HG22 ILE 64 -3.123 -4.914 15.234 498 HG23 ILE 64 HG23 ILE 64 -3.732 -5.138 13.591 499 HD11 ILE 64 HD11 ILE 64 -4.163 -6.522 12.026 500 HD12 ILE 64 HD12 ILE 64 -5.476 -7.470 12.723 501 HD13 ILE 64 HD13 ILE 64 -4.346 -8.224 11.599 502 H ASN 65 H ASN 65 -1.187 -5.924 16.974 503 HA ASN 65 HA ASN 65 -2.992 -5.218 19.192 504 HB2 ASN 65 HB2 ASN 65 -0.065 -5.933 19.356 505 HB3 ASN 65 HB3 ASN 65 -0.929 -5.110 20.647 506 HD21 ASN 65 HD21 ASN 65 0.374 -7.721 20.600 507 HD22 ASN 65 HD22 ASN 65 -0.839 -8.875 21.031 508 H ASP 66 H ASP 66 -1.963 -3.299 20.451 509 HA ASP 66 HA ASP 66 -1.638 -1.163 18.535 510 HB2 ASP 66 HB2 ASP 66 -1.757 0.314 20.466 511 HB3 ASP 66 HB3 ASP 66 -3.059 -0.870 20.520 512 H ASP 67 H ASP 67 0.397 -3.306 19.955 513 HA ASP 67 HA ASP 67 2.614 -1.413 20.284 514 HB2 ASP 67 HB2 ASP 67 2.204 -2.846 22.195 515 HB3 ASP 67 HB3 ASP 67 2.322 -4.279 21.182 516 H ASP 68 H ASP 68 1.431 -3.628 18.009 517 HA ASP 68 HA ASP 68 3.935 -4.684 17.200 518 HB2 ASP 68 HB2 ASP 68 2.697 -5.568 15.214 519 HB3 ASP 68 HB3 ASP 68 2.058 -6.052 16.775 520 H THR 69 H THR 69 4.657 -4.561 14.904 521 HA THR 69 HA THR 69 4.794 -1.741 14.107 522 HB THR 69 HB THR 69 7.184 -2.214 13.499 523 HG1 THR 69 HG1 THR 69 7.077 -4.461 15.184 524 HG21 THR 69 HG21 THR 69 6.637 -1.068 15.592 525 HG22 THR 69 HG22 THR 69 8.030 -2.128 15.810 526 HG23 THR 69 HG23 THR 69 6.445 -2.623 16.401 527 HA PRO 70 HA PRO 70 3.781 -2.763 9.977 528 HB2 PRO 70 HB2 PRO 70 5.811 -1.577 8.520 529 HB3 PRO 70 HB3 PRO 70 4.403 -0.733 9.165 530 HG2 PRO 70 HG2 PRO 70 7.161 -0.957 10.304 531 HG3 PRO 70 HG3 PRO 70 6.098 0.460 10.216 532 HD2 PRO 70 HD2 PRO 70 6.368 -0.874 12.489 533 HD3 PRO 70 HD3 PRO 70 4.779 -0.269 11.986 534 H LYS 71 H LYS 71 7.169 -3.479 10.817 535 HA LYS 71 HA LYS 71 7.402 -5.171 8.502 536 HB2 LYS 71 HB2 LYS 71 9.635 -5.220 8.845 537 HB3 LYS 71 HB3 LYS 71 9.292 -3.846 9.881 538 HG2 LYS 71 HG2 LYS 71 9.405 -6.659 10.913 539 HG3 LYS 71 HG3 LYS 71 10.829 -5.631 10.794 540 HD2 LYS 71 HD2 LYS 71 9.953 -4.088 12.352 541 HD3 LYS 71 HD3 LYS 71 8.341 -4.807 12.263 542 HE2 LYS 71 HE2 LYS 71 9.438 -5.481 14.308 543 HE3 LYS 71 HE3 LYS 71 9.216 -6.860 13.228 544 HZ1 LYS 71 HZ1 LYS 71 11.751 -5.327 13.521 545 HZ2 LYS 71 HZ2 LYS 71 11.525 -6.706 12.572 546 HZ3 LYS 71 HZ3 LYS 71 11.436 -6.816 14.252 547 H THR 72 H THR 72 6.564 -5.665 11.872 548 HA THR 72 HA THR 72 6.885 -8.518 11.647 549 HB THR 72 HB THR 72 7.088 -7.355 13.884 550 HG1 THR 72 HG1 THR 72 5.735 -9.651 13.283 551 HG21 THR 72 HG21 THR 72 5.037 -6.830 15.110 552 HG22 THR 72 HG22 THR 72 4.078 -7.221 13.684 553 HG23 THR 72 HG23 THR 72 5.170 -5.837 13.657 554 H LEU 73 H LEU 73 4.370 -6.162 11.246 555 HA LEU 73 HA LEU 73 2.282 -8.077 10.892 556 HB2 LEU 73 HB2 LEU 73 2.483 -5.179 10.072 557 HB3 LEU 73 HB3 LEU 73 1.035 -6.166 9.978 558 HG LEU 73 HG LEU 73 2.458 -5.524 12.556 559 HD11 LEU 73 HD11 LEU 73 -0.011 -4.278 11.358 560 HD12 LEU 73 HD12 LEU 73 1.559 -3.498 11.546 561 HD13 LEU 73 HD13 LEU 73 0.631 -3.965 12.970 562 HD21 LEU 73 HD21 LEU 73 0.373 -6.334 13.563 563 HD22 LEU 73 HD22 LEU 73 1.177 -7.587 12.620 564 HD23 LEU 73 HD23 LEU 73 -0.231 -6.754 11.961 565 H GLU 74 H GLU 74 4.804 -6.709 9.011 566 HA GLU 74 HA GLU 74 5.443 -6.851 6.821 567 HB2 GLU 74 HB2 GLU 74 5.647 -9.186 7.832 568 HB3 GLU 74 HB3 GLU 74 4.190 -9.588 6.937 569 HG2 GLU 74 HG2 GLU 74 5.289 -9.159 4.851 570 HG3 GLU 74 HG3 GLU 74 6.727 -8.571 5.686 571 H MET 75 H MET 75 2.849 -5.658 7.115 572 HA MET 75 HA MET 75 1.005 -6.723 5.233 573 HB2 MET 75 HB2 MET 75 1.177 -3.982 6.479 574 HB3 MET 75 HB3 MET 75 -0.171 -4.575 5.512 575 HG2 MET 75 HG2 MET 75 -0.617 -6.298 7.142 576 HG3 MET 75 HG3 MET 75 0.774 -5.789 8.088 577 HE1 MET 75 HE1 MET 75 -2.369 -4.697 10.241 578 HE2 MET 75 HE2 MET 75 -0.942 -5.730 10.189 579 HE3 MET 75 HE3 MET 75 -2.324 -6.083 9.153 580 H GLU 76 H GLU 76 0.324 -5.796 3.265 581 HA GLU 76 HA GLU 76 1.946 -3.809 1.985 582 HB2 GLU 76 HB2 GLU 76 2.413 -5.207 0.007 583 HB3 GLU 76 HB3 GLU 76 3.217 -5.817 1.444 584 HG2 GLU 76 HG2 GLU 76 1.403 -7.487 1.682 585 HG3 GLU 76 HG3 GLU 76 0.735 -6.918 0.152 586 H ASP 77 H ASP 77 0.972 -3.595 -0.386 587 HA ASP 77 HA ASP 77 -1.633 -2.759 0.009 588 HB2 ASP 77 HB2 ASP 77 -0.148 -1.824 -1.699 589 HB3 ASP 77 HB3 ASP 77 -0.284 -3.317 -2.626 590 H ASP 78 H ASP 78 -3.388 -3.730 0.157 591 HA ASP 78 HA ASP 78 -5.174 -5.042 -0.070 592 HB2 ASP 78 HB2 ASP 78 -4.738 -4.671 -2.540 593 HB3 ASP 78 HB3 ASP 78 -3.969 -6.257 -2.545 594 H ASP 79 H ASP 79 -2.961 -5.864 1.534 595 HA ASP 79 HA ASP 79 -2.764 -8.724 1.318 596 HB2 ASP 79 HB2 ASP 79 -1.216 -6.974 2.632 597 HB3 ASP 79 HB3 ASP 79 -2.310 -7.415 3.943 598 H VAL 80 H VAL 80 -3.375 -9.859 3.617 599 HA VAL 80 HA VAL 80 -6.249 -9.282 3.829 600 HB VAL 80 HB VAL 80 -6.633 -11.695 4.153 601 HG11 VAL 80 HG11 VAL 80 -5.190 -10.927 1.623 602 HG12 VAL 80 HG12 VAL 80 -6.911 -10.721 1.954 603 HG13 VAL 80 HG13 VAL 80 -6.227 -12.341 1.806 604 HG21 VAL 80 HG21 VAL 80 -4.812 -13.266 3.539 605 HG22 VAL 80 HG22 VAL 80 -4.475 -12.357 5.014 606 HG23 VAL 80 HG23 VAL 80 -3.696 -11.896 3.501 607 H ILE 81 H ILE 81 -7.267 -9.563 5.701 608 HA ILE 81 HA ILE 81 -5.705 -10.074 8.119 609 HB ILE 81 HB ILE 81 -7.394 -7.726 7.445 610 HG12 ILE 81 HG12 ILE 81 -4.933 -8.064 9.155 611 HG13 ILE 81 HG13 ILE 81 -4.975 -7.516 7.484 612 HG21 ILE 81 HG21 ILE 81 -7.346 -8.883 10.201 613 HG22 ILE 81 HG22 ILE 81 -8.732 -8.464 9.174 614 HG23 ILE 81 HG23 ILE 81 -7.709 -7.192 9.835 615 HD11 ILE 81 HD11 ILE 81 -6.302 -5.549 8.235 616 HD12 ILE 81 HD12 ILE 81 -4.680 -5.627 8.921 617 HD13 ILE 81 HD13 ILE 81 -6.073 -6.095 9.896 618 H GLU 82 H GLU 82 -6.725 -11.268 9.704 619 HA GLU 82 HA GLU 82 -9.218 -12.531 8.806 620 HB2 GLU 82 HB2 GLU 82 -7.175 -13.518 10.789 621 HB3 GLU 82 HB3 GLU 82 -8.534 -14.427 10.144 622 HG2 GLU 82 HG2 GLU 82 -7.573 -14.323 7.909 623 HG3 GLU 82 HG3 GLU 82 -6.219 -13.383 8.525 624 H VAL 83 H VAL 83 -10.965 -12.647 10.147 625 HA VAL 83 HA VAL 83 -10.753 -11.259 12.728 626 HB VAL 83 HB VAL 83 -12.991 -10.940 10.720 627 HG11 VAL 83 HG11 VAL 83 -12.736 -9.787 13.497 628 HG12 VAL 83 HG12 VAL 83 -13.883 -11.030 12.999 629 HG13 VAL 83 HG13 VAL 83 -14.001 -9.402 12.329 630 HG21 VAL 83 HG21 VAL 83 -12.325 -8.616 10.717 631 HG22 VAL 83 HG22 VAL 83 -10.981 -9.657 10.242 632 HG23 VAL 83 HG23 VAL 83 -11.041 -8.975 11.870 633 H TYR 84 H TYR 84 -11.669 -12.153 14.397 634 HA TYR 84 HA TYR 84 -13.108 -14.654 14.017 635 HB2 TYR 84 HB2 TYR 84 -11.606 -13.490 16.357 636 HB3 TYR 84 HB3 TYR 84 -12.625 -14.917 16.497 637 HD1 TYR 84 HD1 TYR 84 -9.551 -13.567 14.928 638 HD2 TYR 84 HD2 TYR 84 -11.907 -17.032 15.674 639 HE1 TYR 84 HE1 TYR 84 -7.710 -14.989 14.152 640 HE2 TYR 84 HE2 TYR 84 -10.060 -18.455 14.903 641 HH TYR 84 HH TYR 84 -8.084 -18.271 13.448 642 H GLN 85 H GLN 85 -14.818 -15.021 15.835 643 HA GLN 85 HA GLN 85 -16.872 -13.189 15.191 644 HB2 GLN 85 HB2 GLN 85 -17.248 -15.590 15.600 645 HB3 GLN 85 HB3 GLN 85 -16.844 -15.358 17.294 646 HG2 GLN 85 HG2 GLN 85 -18.775 -13.896 17.561 647 HG3 GLN 85 HG3 GLN 85 -19.159 -14.102 15.854 648 HE21 GLN 85 HE21 GLN 85 -21.165 -14.983 16.270 649 HE22 GLN 85 HE22 GLN 85 -21.373 -16.570 16.915 650 H GLU 86 H GLU 86 -17.703 -11.514 16.208 651 HA GLU 86 HA GLU 86 -16.261 -10.103 18.150 652 HB2 GLU 86 HB2 GLU 86 -19.179 -9.727 17.576 653 HB3 GLU 86 HB3 GLU 86 -18.045 -8.538 18.191 654 HG2 GLU 86 HG2 GLU 86 -18.163 -7.889 16.072 655 HG3 GLU 86 HG3 GLU 86 -16.834 -9.046 15.951 656 H GLN 87 H GLN 87 -16.758 -9.517 20.222 657 HA GLN 87 HA GLN 87 -17.679 -11.669 21.850 658 HB2 GLN 87 HB2 GLN 87 -15.912 -10.060 22.554 659 HB3 GLN 87 HB3 GLN 87 -17.138 -8.810 22.681 660 HG2 GLN 87 HG2 GLN 87 -16.635 -9.691 24.845 661 HG3 GLN 87 HG3 GLN 87 -18.285 -10.117 24.390 662 HE21 GLN 87 HE21 GLN 87 -18.426 -11.899 25.695 663 HE22 GLN 87 HE22 GLN 87 -17.523 -13.349 25.423 664 H LEU 88 H LEU 88 -19.079 -8.588 20.812 665 HA LEU 88 HA LEU 88 -21.589 -9.367 22.119 666 HB2 LEU 88 HB2 LEU 88 -20.393 -6.683 21.557 667 HB3 LEU 88 HB3 LEU 88 -22.130 -6.843 21.689 668 HG LEU 88 HG LEU 88 -21.307 -6.083 23.788 669 HD11 LEU 88 HD11 LEU 88 -21.894 -9.023 24.051 670 HD12 LEU 88 HD12 LEU 88 -23.094 -7.743 23.883 671 HD13 LEU 88 HD13 LEU 88 -22.057 -7.798 25.309 672 HD21 LEU 88 HD21 LEU 88 -19.407 -8.421 23.744 673 HD22 LEU 88 HD22 LEU 88 -19.640 -7.318 25.101 674 HD23 LEU 88 HD23 LEU 88 -18.978 -6.718 23.580 675 H GLY 89 H GLY 89 -20.148 -9.417 19.225 676 HA2 GLY 89 HA2 GLY 89 -22.570 -8.691 17.727 677 HA3 GLY 89 HA3 GLY 89 -20.961 -8.853 17.033 678 H GLY 90 H GLY 90 -20.847 -10.541 15.736 679 HA2 GLY 90 HA2 GLY 90 -20.637 -12.940 15.647 680 HA3 GLY 90 HA3 GLY 90 -22.029 -13.055 16.713 Start of MODEL 7 1 H MET 1 H MET 1 6.679 8.423 -20.468 2 HA MET 1 HA MET 1 4.713 7.349 -19.696 3 HB2 MET 1 HB2 MET 1 3.314 6.028 -21.159 4 HB3 MET 1 HB3 MET 1 3.407 7.655 -21.811 5 HG2 MET 1 HG2 MET 1 5.044 6.915 -23.454 6 HG3 MET 1 HG3 MET 1 4.987 5.285 -22.787 7 HE1 MET 1 HE1 MET 1 4.598 5.808 -25.861 8 HE2 MET 1 HE2 MET 1 3.205 4.785 -26.207 9 HE3 MET 1 HE3 MET 1 4.470 4.212 -25.120 10 H ALA 2 H ALA 2 5.035 5.374 -18.788 11 HA ALA 2 HA ALA 2 7.249 3.793 -19.889 12 HB1 ALA 2 HB1 ALA 2 7.590 2.947 -17.624 13 HB2 ALA 2 HB2 ALA 2 6.221 3.897 -17.052 14 HB3 ALA 2 HB3 ALA 2 7.668 4.709 -17.647 15 H ASP 3 H ASP 3 6.714 1.884 -20.750 16 HA ASP 3 HA ASP 3 4.037 0.936 -20.671 17 HB2 ASP 3 HB2 ASP 3 4.854 -1.017 -21.921 18 HB3 ASP 3 HB3 ASP 3 5.463 0.481 -22.613 19 H ASP 4 H ASP 4 6.866 0.318 -18.779 20 HA ASP 4 HA ASP 4 6.049 -2.022 -17.445 21 HB2 ASP 4 HB2 ASP 4 8.322 -1.166 -17.222 22 HB3 ASP 4 HB3 ASP 4 7.720 0.296 -16.448 23 H ALA 5 H ALA 5 5.473 1.386 -16.838 24 HA ALA 5 HA ALA 5 3.951 2.529 -15.656 25 HB1 ALA 5 HB1 ALA 5 2.363 -0.031 -15.656 26 HB2 ALA 5 HB2 ALA 5 2.347 1.184 -16.934 27 HB3 ALA 5 HB3 ALA 5 1.747 1.587 -15.324 28 H ALA 6 H ALA 6 5.631 2.535 -13.997 29 HA ALA 6 HA ALA 6 5.239 0.820 -11.712 30 HB1 ALA 6 HB1 ALA 6 7.492 1.580 -12.288 31 HB2 ALA 6 HB2 ALA 6 7.030 2.158 -10.688 32 HB3 ALA 6 HB3 ALA 6 6.994 3.256 -12.066 33 H GLN 7 H GLN 7 3.590 1.151 -10.384 34 HA GLN 7 HA GLN 7 1.910 2.081 -9.228 35 HB2 GLN 7 HB2 GLN 7 3.919 4.294 -9.165 36 HB3 GLN 7 HB3 GLN 7 2.388 4.386 -8.310 37 HG2 GLN 7 HG2 GLN 7 3.000 2.406 -7.019 38 HG3 GLN 7 HG3 GLN 7 4.535 2.326 -7.886 39 HE21 GLN 7 HE21 GLN 7 5.735 2.569 -6.014 40 HE22 GLN 7 HE22 GLN 7 5.838 4.074 -5.171 41 H ALA 8 H ALA 8 0.597 4.319 -9.093 42 HA ALA 8 HA ALA 8 -0.111 4.976 -11.865 43 HB1 ALA 8 HB1 ALA 8 -1.919 4.010 -10.530 44 HB2 ALA 8 HB2 ALA 8 -2.280 5.681 -10.962 45 HB3 ALA 8 HB3 ALA 8 -1.728 5.291 -9.333 46 H GLY 9 H GLY 9 1.662 6.121 -9.382 47 HA2 GLY 9 HA2 GLY 9 2.778 8.248 -9.603 48 HA3 GLY 9 HA3 GLY 9 1.274 8.914 -10.231 49 H ASP 10 H ASP 10 2.723 7.486 -7.332 50 HA ASP 10 HA ASP 10 0.991 9.209 -5.712 51 HB2 ASP 10 HB2 ASP 10 0.317 6.680 -5.929 52 HB3 ASP 10 HB3 ASP 10 1.655 6.421 -4.819 53 H ASN 11 H ASN 11 1.860 9.409 -3.472 54 HA ASN 11 HA ASN 11 4.804 9.295 -3.470 55 HB2 ASN 11 HB2 ASN 11 4.854 11.365 -2.200 56 HB3 ASN 11 HB3 ASN 11 3.969 11.610 -3.702 57 HD21 ASN 11 HD21 ASN 11 3.905 13.002 -1.097 58 HD22 ASN 11 HD22 ASN 11 2.242 13.002 -0.620 59 H ALA 12 H ALA 12 2.449 7.674 -2.290 60 HA ALA 12 HA ALA 12 3.807 7.236 0.243 61 HB1 ALA 12 HB1 ALA 12 1.735 7.283 1.496 62 HB2 ALA 12 HB2 ALA 12 0.849 7.725 0.030 63 HB3 ALA 12 HB3 ALA 12 2.038 8.837 0.710 64 H GLU 13 H GLU 13 3.035 5.202 1.271 65 HA GLU 13 HA GLU 13 2.046 3.356 -0.759 66 HB2 GLU 13 HB2 GLU 13 3.722 1.691 0.106 67 HB3 GLU 13 HB3 GLU 13 4.367 3.025 -0.839 68 HG2 GLU 13 HG2 GLU 13 4.930 4.173 1.290 69 HG3 GLU 13 HG3 GLU 13 4.443 2.709 2.145 70 H TYR 14 H TYR 14 0.446 2.209 -0.127 71 HA TYR 14 HA TYR 14 0.166 1.512 2.697 72 HB2 TYR 14 HB2 TYR 14 -2.021 2.489 0.857 73 HB3 TYR 14 HB3 TYR 14 -2.313 1.720 2.410 74 HD1 TYR 14 HD1 TYR 14 -1.026 4.752 0.759 75 HD2 TYR 14 HD2 TYR 14 -1.938 2.884 4.467 76 HE1 TYR 14 HE1 TYR 14 -0.840 6.926 1.895 77 HE2 TYR 14 HE2 TYR 14 -1.754 5.046 5.611 78 HH TYR 14 HH TYR 14 -0.678 7.197 5.282 79 H ILE 15 H ILE 15 -1.154 -0.375 3.041 80 HA ILE 15 HA ILE 15 -0.814 -2.269 0.811 81 HB ILE 15 HB ILE 15 -0.300 -3.973 2.376 82 HG12 ILE 15 HG12 ILE 15 -1.176 -2.055 4.534 83 HG13 ILE 15 HG13 ILE 15 -2.048 -3.479 3.954 84 HG21 ILE 15 HG21 ILE 15 1.545 -2.473 1.988 85 HG22 ILE 15 HG22 ILE 15 1.590 -3.116 3.631 86 HG23 ILE 15 HG23 ILE 15 1.026 -1.470 3.341 87 HD11 ILE 15 HD11 ILE 15 -0.919 -3.893 6.076 88 HD12 ILE 15 HD12 ILE 15 0.631 -3.520 5.320 89 HD13 ILE 15 HD13 ILE 15 -0.301 -4.921 4.782 90 H LYS 16 H LYS 16 -2.370 -4.024 0.869 91 HA LYS 16 HA LYS 16 -4.959 -3.040 1.796 92 HB2 LYS 16 HB2 LYS 16 -4.531 -3.556 -0.612 93 HB3 LYS 16 HB3 LYS 16 -4.432 -5.247 -0.145 94 HG2 LYS 16 HG2 LYS 16 -6.700 -5.154 0.735 95 HG3 LYS 16 HG3 LYS 16 -6.817 -3.462 0.210 96 HD2 LYS 16 HD2 LYS 16 -6.287 -5.802 -1.630 97 HD3 LYS 16 HD3 LYS 16 -7.887 -5.127 -1.339 98 HE2 LYS 16 HE2 LYS 16 -5.547 -3.562 -2.422 99 HE3 LYS 16 HE3 LYS 16 -6.792 -4.310 -3.419 100 HZ1 LYS 16 HZ1 LYS 16 -7.272 -2.199 -1.373 101 HZ2 LYS 16 HZ2 LYS 16 -8.443 -2.917 -2.349 102 HZ3 LYS 16 HZ3 LYS 16 -7.237 -1.968 -3.047 103 H ILE 17 H ILE 17 -6.228 -4.277 3.049 104 HA ILE 17 HA ILE 17 -5.122 -6.825 3.988 105 HB ILE 17 HB ILE 17 -6.516 -4.716 5.629 106 HG12 ILE 17 HG12 ILE 17 -4.131 -4.321 5.258 107 HG13 ILE 17 HG13 ILE 17 -4.451 -4.714 6.946 108 HG21 ILE 17 HG21 ILE 17 -5.645 -7.446 6.552 109 HG22 ILE 17 HG22 ILE 17 -7.305 -6.998 6.170 110 HG23 ILE 17 HG23 ILE 17 -6.468 -6.204 7.502 111 HD11 ILE 17 HD11 ILE 17 -3.682 -7.017 6.513 112 HD12 ILE 17 HD12 ILE 17 -2.438 -5.806 6.201 113 HD13 ILE 17 HD13 ILE 17 -3.296 -6.553 4.855 114 H LYS 18 H LYS 18 -6.386 -8.503 3.779 115 HA LYS 18 HA LYS 18 -9.196 -7.986 3.155 116 HB2 LYS 18 HB2 LYS 18 -7.927 -10.693 2.927 117 HB3 LYS 18 HB3 LYS 18 -9.246 -10.005 2.001 118 HG2 LYS 18 HG2 LYS 18 -7.471 -8.444 0.920 119 HG3 LYS 18 HG3 LYS 18 -6.305 -9.508 1.688 120 HD2 LYS 18 HD2 LYS 18 -8.463 -10.527 -0.132 121 HD3 LYS 18 HD3 LYS 18 -6.872 -10.030 -0.704 122 HE2 LYS 18 HE2 LYS 18 -5.844 -11.682 0.791 123 HE3 LYS 18 HE3 LYS 18 -7.451 -12.192 1.308 124 HZ1 LYS 18 HZ1 LYS 18 -6.547 -12.278 -1.513 125 HZ2 LYS 18 HZ2 LYS 18 -7.939 -12.978 -0.853 126 HZ3 LYS 18 HZ3 LYS 18 -6.423 -13.587 -0.453 127 H VAL 19 H VAL 19 -10.260 -7.871 5.016 128 HA VAL 19 HA VAL 19 -9.588 -9.445 7.322 129 HB VAL 19 HB VAL 19 -11.910 -7.587 6.757 130 HG11 VAL 19 HG11 VAL 19 -11.019 -8.752 9.380 131 HG12 VAL 19 HG12 VAL 19 -12.447 -9.239 8.468 132 HG13 VAL 19 HG13 VAL 19 -12.343 -7.610 9.134 133 HG21 VAL 19 HG21 VAL 19 -9.372 -7.123 8.326 134 HG22 VAL 19 HG22 VAL 19 -10.715 -5.987 8.192 135 HG23 VAL 19 HG23 VAL 19 -9.775 -6.415 6.761 136 H VAL 20 H VAL 20 -10.324 -11.454 7.652 137 HA VAL 20 HA VAL 20 -12.737 -12.312 6.205 138 HB VAL 20 HB VAL 20 -10.496 -14.015 7.329 139 HG11 VAL 20 HG11 VAL 20 -11.577 -15.866 6.131 140 HG12 VAL 20 HG12 VAL 20 -12.899 -14.790 5.676 141 HG13 VAL 20 HG13 VAL 20 -12.627 -15.185 7.373 142 HG21 VAL 20 HG21 VAL 20 -11.168 -13.318 4.470 143 HG22 VAL 20 HG22 VAL 20 -9.916 -14.450 4.984 144 HG23 VAL 20 HG23 VAL 20 -9.775 -12.737 5.381 145 H GLY 21 H GLY 21 -14.476 -12.583 7.361 146 HA2 GLY 21 HA2 GLY 21 -14.297 -12.654 10.281 147 HA3 GLY 21 HA3 GLY 21 -15.758 -12.408 9.346 148 H GLN 22 H GLN 22 -16.414 -13.964 11.137 149 HA GLN 22 HA GLN 22 -15.534 -16.621 11.143 150 HB2 GLN 22 HB2 GLN 22 -18.039 -15.354 12.203 151 HB3 GLN 22 HB3 GLN 22 -17.687 -17.063 12.416 152 HG2 GLN 22 HG2 GLN 22 -15.987 -14.783 13.404 153 HG3 GLN 22 HG3 GLN 22 -17.090 -15.749 14.385 154 HE21 GLN 22 HE21 GLN 22 -16.573 -17.931 14.786 155 HE22 GLN 22 HE22 GLN 22 -14.950 -18.509 14.637 156 H ASP 23 H ASP 23 -18.201 -15.107 9.448 157 HA ASP 23 HA ASP 23 -19.043 -17.650 8.338 158 HB2 ASP 23 HB2 ASP 23 -19.978 -14.828 7.758 159 HB3 ASP 23 HB3 ASP 23 -20.729 -16.296 7.152 160 H SER 24 H SER 24 -16.372 -16.404 7.918 161 HA SER 24 HA SER 24 -14.797 -16.229 6.303 162 HB2 SER 24 HB2 SER 24 -16.930 -17.430 4.513 163 HB3 SER 24 HB3 SER 24 -15.221 -17.275 4.102 164 HG SER 24 HG SER 24 -15.294 -18.471 6.434 165 H ASN 25 H ASN 25 -16.585 -14.108 6.931 166 HA ASN 25 HA ASN 25 -17.294 -12.749 4.477 167 HB2 ASN 25 HB2 ASN 25 -17.117 -11.566 7.251 168 HB3 ASN 25 HB3 ASN 25 -17.975 -10.895 5.871 169 HD21 ASN 25 HD21 ASN 25 -19.872 -11.956 5.144 170 HD22 ASN 25 HD22 ASN 25 -20.777 -12.958 6.221 171 H GLU 26 H GLU 26 -15.672 -12.097 3.246 172 HA GLU 26 HA GLU 26 -13.370 -10.883 4.557 173 HB2 GLU 26 HB2 GLU 26 -12.798 -12.708 3.112 174 HB3 GLU 26 HB3 GLU 26 -13.672 -11.981 1.772 175 HG2 GLU 26 HG2 GLU 26 -12.065 -10.111 1.792 176 HG3 GLU 26 HG3 GLU 26 -11.199 -10.897 3.109 177 H VAL 27 H VAL 27 -12.835 -8.854 4.295 178 HA VAL 27 HA VAL 27 -14.149 -7.226 2.244 179 HB VAL 27 HB VAL 27 -15.447 -6.876 4.309 180 HG11 VAL 27 HG11 VAL 27 -12.839 -5.998 5.512 181 HG12 VAL 27 HG12 VAL 27 -13.752 -7.449 5.932 182 HG13 VAL 27 HG13 VAL 27 -14.425 -5.854 6.272 183 HG21 VAL 27 HG21 VAL 27 -13.715 -4.514 3.587 184 HG22 VAL 27 HG22 VAL 27 -15.244 -4.430 4.461 185 HG23 VAL 27 HG23 VAL 27 -15.213 -4.994 2.791 186 H HIS 28 H HIS 28 -12.915 -5.562 1.457 187 HA HIS 28 HA HIS 28 -10.090 -5.857 2.161 188 HB2 HIS 28 HB2 HIS 28 -11.429 -4.869 -0.345 189 HB3 HIS 28 HB3 HIS 28 -9.696 -4.736 -0.071 190 HD2 HIS 28 HD2 HIS 28 -10.875 -8.086 1.223 191 HE1 HIS 28 HE1 HIS 28 -9.674 -8.761 -2.784 192 HE2 HIS 28 HE2 HIS 28 -10.450 -9.829 -0.628 193 H PHE 29 H PHE 29 -9.327 -4.429 3.454 194 HA PHE 29 HA PHE 29 -10.130 -1.615 3.132 195 HB2 PHE 29 HB2 PHE 29 -9.210 -3.123 5.567 196 HB3 PHE 29 HB3 PHE 29 -9.171 -1.373 5.490 197 HD1 PHE 29 HD1 PHE 29 -11.150 -4.250 6.207 198 HD2 PHE 29 HD2 PHE 29 -11.372 -0.168 5.028 199 HE1 PHE 29 HE1 PHE 29 -13.491 -4.160 6.947 200 HE2 PHE 29 HE2 PHE 29 -13.713 -0.075 5.768 201 HZ PHE 29 HZ PHE 29 -14.776 -2.074 6.732 202 H ARG 30 H ARG 30 -8.519 -0.043 3.120 203 HA ARG 30 HA ARG 30 -5.860 -1.101 2.503 204 HB2 ARG 30 HB2 ARG 30 -6.937 0.306 0.767 205 HB3 ARG 30 HB3 ARG 30 -6.992 1.644 1.910 206 HG2 ARG 30 HG2 ARG 30 -5.116 2.078 0.608 207 HG3 ARG 30 HG3 ARG 30 -4.466 1.360 2.076 208 HD2 ARG 30 HD2 ARG 30 -3.309 0.267 0.362 209 HD3 ARG 30 HD3 ARG 30 -4.582 -0.867 0.819 210 HE ARG 30 HE ARG 30 -5.528 0.728 -1.279 211 HH11 ARG 30 HH11 ARG 30 -3.156 -1.779 -0.683 212 HH12 ARG 30 HH12 ARG 30 -3.167 -2.373 -2.299 213 HH21 ARG 30 HH21 ARG 30 -5.538 -0.037 -3.447 214 HH22 ARG 30 HH22 ARG 30 -4.532 -1.373 -3.893 215 H VAL 31 H VAL 31 -4.358 -0.890 3.963 216 HA VAL 31 HA VAL 31 -4.462 1.295 5.928 217 HB VAL 31 HB VAL 31 -3.831 -0.191 7.740 218 HG11 VAL 31 HG11 VAL 31 -5.950 -1.425 8.025 219 HG12 VAL 31 HG12 VAL 31 -6.339 -1.101 6.335 220 HG13 VAL 31 HG13 VAL 31 -6.192 0.233 7.476 221 HG21 VAL 31 HG21 VAL 31 -2.652 -1.893 6.499 222 HG22 VAL 31 HG22 VAL 31 -4.155 -2.414 5.742 223 HG23 VAL 31 HG23 VAL 31 -3.919 -2.634 7.477 224 H LYS 32 H LYS 32 -2.287 1.241 7.177 225 HA LYS 32 HA LYS 32 -0.216 1.204 5.127 226 HB2 LYS 32 HB2 LYS 32 -0.713 3.103 6.854 227 HB3 LYS 32 HB3 LYS 32 0.177 2.083 7.961 228 HG2 LYS 32 HG2 LYS 32 2.134 2.156 6.551 229 HG3 LYS 32 HG3 LYS 32 1.260 3.105 5.348 230 HD2 LYS 32 HD2 LYS 32 0.942 4.882 7.041 231 HD3 LYS 32 HD3 LYS 32 1.914 3.930 8.167 232 HE2 LYS 32 HE2 LYS 32 3.820 4.063 6.659 233 HE3 LYS 32 HE3 LYS 32 2.853 4.973 5.501 234 HZ1 LYS 32 HZ1 LYS 32 4.258 6.422 6.819 235 HZ2 LYS 32 HZ2 LYS 32 3.541 5.867 8.245 236 HZ3 LYS 32 HZ3 LYS 32 2.626 6.733 7.128 237 H TYR 33 H TYR 33 1.909 0.238 5.654 238 HA TYR 33 HA TYR 33 1.882 -2.366 6.612 239 HB2 TYR 33 HB2 TYR 33 4.117 -0.340 6.524 240 HB3 TYR 33 HB3 TYR 33 4.383 -2.015 6.982 241 HD1 TYR 33 HD1 TYR 33 3.744 0.302 4.225 242 HD2 TYR 33 HD2 TYR 33 4.256 -3.786 5.295 243 HE1 TYR 33 HE1 TYR 33 4.120 -0.265 1.860 244 HE2 TYR 33 HE2 TYR 33 4.629 -4.367 2.934 245 HH TYR 33 HH TYR 33 4.085 -3.466 0.706 246 H GLY 34 H GLY 34 2.522 0.673 8.304 247 HA2 GLY 34 HA2 GLY 34 2.833 -0.761 10.842 248 HA3 GLY 34 HA3 GLY 34 3.305 0.903 10.535 249 H THR 35 H THR 35 0.221 -0.454 9.572 250 HA THR 35 HA THR 35 -1.178 1.566 10.897 251 HB THR 35 HB THR 35 -1.795 -0.665 9.139 252 HG1 THR 35 HG1 THR 35 -2.372 2.027 9.437 253 HG21 THR 35 HG21 THR 35 -4.230 -0.662 9.676 254 HG22 THR 35 HG22 THR 35 -3.844 0.232 11.152 255 HG23 THR 35 HG23 THR 35 -3.219 -1.399 10.922 256 H SER 36 H SER 36 -2.180 1.625 12.781 257 HA SER 36 HA SER 36 -1.514 -0.310 14.784 258 HB2 SER 36 HB2 SER 36 -2.532 1.262 16.321 259 HB3 SER 36 HB3 SER 36 -1.552 2.154 15.156 260 HG SER 36 HG SER 36 -3.298 3.259 14.859 261 H MET 37 H MET 37 -3.171 -1.250 16.208 262 HA MET 37 HA MET 37 -5.107 -2.711 14.803 263 HB2 MET 37 HB2 MET 37 -5.909 -3.489 16.921 264 HB3 MET 37 HB3 MET 37 -4.163 -3.331 17.034 265 HG2 MET 37 HG2 MET 37 -4.405 -1.238 18.236 266 HG3 MET 37 HG3 MET 37 -6.156 -1.324 18.069 267 HE1 MET 37 HE1 MET 37 -5.676 -1.940 21.878 268 HE2 MET 37 HE2 MET 37 -6.462 -0.964 20.638 269 HE3 MET 37 HE3 MET 37 -4.716 -0.865 20.864 270 H ALA 38 H ALA 38 -5.292 0.380 16.382 271 HA ALA 38 HA ALA 38 -8.072 0.571 16.675 272 HB1 ALA 38 HB1 ALA 38 -6.505 2.037 17.847 273 HB2 ALA 38 HB2 ALA 38 -7.720 2.951 16.952 274 HB3 ALA 38 HB3 ALA 38 -6.082 2.803 16.313 275 H LYS 39 H LYS 39 -5.953 1.262 13.993 276 HA LYS 39 HA LYS 39 -7.661 2.896 12.485 277 HB2 LYS 39 HB2 LYS 39 -5.575 0.943 11.474 278 HB3 LYS 39 HB3 LYS 39 -6.247 2.294 10.588 279 HG2 LYS 39 HG2 LYS 39 -4.683 2.592 13.135 280 HG3 LYS 39 HG3 LYS 39 -3.974 2.758 11.542 281 HD2 LYS 39 HD2 LYS 39 -6.246 4.422 12.631 282 HD3 LYS 39 HD3 LYS 39 -4.551 4.909 12.621 283 HE2 LYS 39 HE2 LYS 39 -4.529 4.705 10.189 284 HE3 LYS 39 HE3 LYS 39 -6.236 4.275 10.220 285 HZ1 LYS 39 HZ1 LYS 39 -5.113 6.840 11.195 286 HZ2 LYS 39 HZ2 LYS 39 -6.753 6.424 11.148 287 HZ3 LYS 39 HZ3 LYS 39 -5.889 6.622 9.712 288 H LEU 40 H LEU 40 -7.310 -0.613 12.626 289 HA LEU 40 HA LEU 40 -9.354 -0.945 10.599 290 HB2 LEU 40 HB2 LEU 40 -8.960 -3.422 10.978 291 HB3 LEU 40 HB3 LEU 40 -7.667 -2.498 10.252 292 HG LEU 40 HG LEU 40 -7.584 -2.982 13.214 293 HD11 LEU 40 HD11 LEU 40 -8.100 -5.169 12.241 294 HD12 LEU 40 HD12 LEU 40 -6.432 -5.101 12.810 295 HD13 LEU 40 HD13 LEU 40 -6.783 -4.969 11.086 296 HD21 LEU 40 HD21 LEU 40 -5.188 -2.991 12.764 297 HD22 LEU 40 HD22 LEU 40 -5.931 -1.532 12.107 298 HD23 LEU 40 HD23 LEU 40 -5.500 -2.859 11.036 299 H LYS 41 H LYS 41 -8.960 -1.673 14.042 300 HA LYS 41 HA LYS 41 -11.408 -3.026 14.391 301 HB2 LYS 41 HB2 LYS 41 -9.643 -1.509 16.288 302 HB3 LYS 41 HB3 LYS 41 -11.059 -2.414 16.802 303 HG2 LYS 41 HG2 LYS 41 -10.124 -4.450 16.172 304 HG3 LYS 41 HG3 LYS 41 -8.836 -3.676 15.242 305 HD2 LYS 41 HD2 LYS 41 -7.907 -4.470 17.278 306 HD3 LYS 41 HD3 LYS 41 -8.016 -2.708 17.349 307 HE2 LYS 41 HE2 LYS 41 -10.033 -2.859 18.711 308 HE3 LYS 41 HE3 LYS 41 -10.009 -4.616 18.589 309 HZ1 LYS 41 HZ1 LYS 41 -9.108 -3.835 20.699 310 HZ2 LYS 41 HZ2 LYS 41 -7.913 -2.963 19.888 311 HZ3 LYS 41 HZ3 LYS 41 -7.934 -4.650 19.800 312 H LYS 42 H LYS 42 -10.547 0.320 14.914 313 HA LYS 42 HA LYS 42 -13.089 1.191 15.731 314 HB2 LYS 42 HB2 LYS 42 -11.082 2.576 15.968 315 HB3 LYS 42 HB3 LYS 42 -10.942 2.690 14.222 316 HG2 LYS 42 HG2 LYS 42 -13.011 3.957 14.114 317 HG3 LYS 42 HG3 LYS 42 -13.218 3.792 15.859 318 HD2 LYS 42 HD2 LYS 42 -12.301 5.972 15.383 319 HD3 LYS 42 HD3 LYS 42 -11.067 4.993 16.177 320 HE2 LYS 42 HE2 LYS 42 -10.031 4.526 14.016 321 HE3 LYS 42 HE3 LYS 42 -11.283 5.460 13.201 322 HZ1 LYS 42 HZ1 LYS 42 -10.519 7.426 14.397 323 HZ2 LYS 42 HZ2 LYS 42 -9.273 6.753 13.476 324 HZ3 LYS 42 HZ3 LYS 42 -9.304 6.523 15.147 325 H SER 43 H SER 43 -11.617 0.800 12.593 326 HA SER 43 HA SER 43 -13.656 2.104 11.109 327 HB2 SER 43 HB2 SER 43 -11.356 1.892 10.284 328 HB3 SER 43 HB3 SER 43 -11.525 0.144 10.210 329 HG SER 43 HG SER 43 -11.866 1.255 8.181 330 H TYR 44 H TYR 44 -12.889 -1.366 11.564 331 HA TYR 44 HA TYR 44 -15.069 -2.295 10.024 332 HB2 TYR 44 HB2 TYR 44 -12.997 -3.571 10.532 333 HB3 TYR 44 HB3 TYR 44 -13.571 -3.754 12.186 334 HD1 TYR 44 HD1 TYR 44 -13.961 -4.817 8.746 335 HD2 TYR 44 HD2 TYR 44 -15.508 -5.168 12.681 336 HE1 TYR 44 HE1 TYR 44 -15.237 -6.785 8.054 337 HE2 TYR 44 HE2 TYR 44 -16.792 -7.153 12.008 338 HH TYR 44 HH TYR 44 -16.252 -8.769 9.065 339 H ALA 45 H ALA 45 -14.585 -2.035 13.531 340 HA ALA 45 HA ALA 45 -17.056 -3.119 14.274 341 HB1 ALA 45 HB1 ALA 45 -15.461 -1.013 15.741 342 HB2 ALA 45 HB2 ALA 45 -15.233 -2.757 15.874 343 HB3 ALA 45 HB3 ALA 45 -16.735 -2.020 16.433 344 H ASP 46 H ASP 46 -16.122 -0.060 13.130 345 HA ASP 46 HA ASP 46 -18.322 1.524 13.911 346 HB2 ASP 46 HB2 ASP 46 -16.211 2.438 13.071 347 HB3 ASP 46 HB3 ASP 46 -16.561 1.789 11.479 348 H ARG 47 H ARG 47 -17.714 -0.354 10.941 349 HA ARG 47 HA ARG 47 -20.069 0.572 9.633 350 HB2 ARG 47 HB2 ARG 47 -19.593 -0.952 7.889 351 HB3 ARG 47 HB3 ARG 47 -18.021 -0.470 8.518 352 HG2 ARG 47 HG2 ARG 47 -17.713 -2.534 9.626 353 HG3 ARG 47 HG3 ARG 47 -19.398 -2.999 9.378 354 HD2 ARG 47 HD2 ARG 47 -18.995 -3.006 6.951 355 HD3 ARG 47 HD3 ARG 47 -17.291 -2.663 7.250 356 HE ARG 47 HE ARG 47 -17.820 -4.922 8.695 357 HH11 ARG 47 HH11 ARG 47 -18.147 -3.995 5.325 358 HH12 ARG 47 HH12 ARG 47 -17.936 -5.603 4.723 359 HH21 ARG 47 HH21 ARG 47 -17.537 -7.094 7.885 360 HH22 ARG 47 HH22 ARG 47 -17.573 -7.358 6.177 361 H THR 48 H THR 48 -19.385 -2.016 11.804 362 HA THR 48 HA THR 48 -21.905 -3.316 11.190 363 HB THR 48 HB THR 48 -20.071 -4.817 11.331 364 HG1 THR 48 HG1 THR 48 -21.557 -6.014 12.227 365 HG21 THR 48 HG21 THR 48 -18.489 -3.543 12.615 366 HG22 THR 48 HG22 THR 48 -18.741 -5.095 13.416 367 HG23 THR 48 HG23 THR 48 -19.515 -3.641 14.044 368 H GLY 49 H GLY 49 -20.577 -1.188 13.541 369 HA2 GLY 49 HA2 GLY 49 -21.764 0.010 15.128 370 HA3 GLY 49 HA3 GLY 49 -23.167 -1.001 14.811 371 H VAL 50 H VAL 50 -20.140 -2.496 15.507 372 HA VAL 50 HA VAL 50 -21.208 -3.426 18.072 373 HB VAL 50 HB VAL 50 -20.381 -5.101 16.345 374 HG11 VAL 50 HG11 VAL 50 -18.106 -5.374 15.887 375 HG12 VAL 50 HG12 VAL 50 -17.632 -4.222 17.134 376 HG13 VAL 50 HG13 VAL 50 -18.435 -3.657 15.670 377 HG21 VAL 50 HG21 VAL 50 -20.586 -5.857 18.576 378 HG22 VAL 50 HG22 VAL 50 -19.101 -5.036 19.058 379 HG23 VAL 50 HG23 VAL 50 -19.026 -6.425 17.977 380 H ALA 51 H ALA 51 -19.714 -3.484 19.927 381 HA ALA 51 HA ALA 51 -18.377 -1.064 20.375 382 HB1 ALA 51 HB1 ALA 51 -19.227 -2.445 22.211 383 HB2 ALA 51 HB2 ALA 51 -17.497 -2.170 22.413 384 HB3 ALA 51 HB3 ALA 51 -18.078 -3.720 21.810 385 H VAL 52 H VAL 52 -16.335 -0.417 20.006 386 HA VAL 52 HA VAL 52 -14.754 -1.740 18.095 387 HB VAL 52 HB VAL 52 -14.045 0.494 20.008 388 HG11 VAL 52 HG11 VAL 52 -12.007 -0.652 19.327 389 HG12 VAL 52 HG12 VAL 52 -12.109 0.938 18.569 390 HG13 VAL 52 HG13 VAL 52 -12.478 -0.510 17.633 391 HG21 VAL 52 HG21 VAL 52 -14.309 1.928 18.037 392 HG22 VAL 52 HG22 VAL 52 -15.795 1.051 18.406 393 HG23 VAL 52 HG23 VAL 52 -14.763 0.519 17.078 394 H ASN 53 H ASN 53 -14.477 -1.476 21.585 395 HA ASN 53 HA ASN 53 -12.029 -2.876 21.817 396 HB2 ASN 53 HB2 ASN 53 -14.234 -2.317 23.794 397 HB3 ASN 53 HB3 ASN 53 -12.751 -3.158 24.232 398 HD21 ASN 53 HD21 ASN 53 -13.757 -0.662 25.231 399 HD22 ASN 53 HD22 ASN 53 -12.568 0.541 24.873 400 H SER 54 H SER 54 -15.367 -3.885 21.680 401 HA SER 54 HA SER 54 -14.859 -6.544 22.594 402 HB2 SER 54 HB2 SER 54 -17.163 -7.003 22.072 403 HB3 SER 54 HB3 SER 54 -17.066 -5.426 22.855 404 HG SER 54 HG SER 54 -16.868 -4.900 20.325 405 H LEU 55 H LEU 55 -14.330 -4.994 19.643 406 HA LEU 55 HA LEU 55 -14.705 -7.432 18.074 407 HB2 LEU 55 HB2 LEU 55 -15.370 -4.958 17.419 408 HB3 LEU 55 HB3 LEU 55 -13.686 -4.837 16.967 409 HG LEU 55 HG LEU 55 -15.150 -5.305 15.042 410 HD11 LEU 55 HD11 LEU 55 -13.321 -7.607 15.702 411 HD12 LEU 55 HD12 LEU 55 -12.830 -6.066 15.001 412 HD13 LEU 55 HD13 LEU 55 -13.888 -7.149 14.096 413 HD21 LEU 55 HD21 LEU 55 -16.331 -7.365 14.805 414 HD22 LEU 55 HD22 LEU 55 -16.803 -6.667 16.359 415 HD23 LEU 55 HD23 LEU 55 -15.650 -7.996 16.301 416 H ARG 56 H ARG 56 -12.993 -8.678 17.455 417 HA ARG 56 HA ARG 56 -10.336 -7.640 18.160 418 HB2 ARG 56 HB2 ARG 56 -11.307 -10.477 18.539 419 HB3 ARG 56 HB3 ARG 56 -9.670 -9.917 18.824 420 HG2 ARG 56 HG2 ARG 56 -10.405 -9.837 20.954 421 HG3 ARG 56 HG3 ARG 56 -10.979 -8.247 20.452 422 HD2 ARG 56 HD2 ARG 56 -13.192 -9.142 20.034 423 HD3 ARG 56 HD3 ARG 56 -12.630 -10.775 20.399 424 HE ARG 56 HE ARG 56 -12.234 -8.864 22.519 425 HH11 ARG 56 HH11 ARG 56 -14.461 -11.229 21.157 426 HH12 ARG 56 HH12 ARG 56 -15.291 -11.488 22.652 427 HH21 ARG 56 HH21 ARG 56 -13.352 -9.191 24.483 428 HH22 ARG 56 HH22 ARG 56 -14.658 -10.327 24.549 429 H PHE 57 H PHE 57 -8.948 -7.611 16.576 430 HA PHE 57 HA PHE 57 -9.325 -9.425 14.297 431 HB2 PHE 57 HB2 PHE 57 -7.802 -6.841 14.594 432 HB3 PHE 57 HB3 PHE 57 -7.587 -7.919 13.223 433 HD1 PHE 57 HD1 PHE 57 -10.040 -5.828 14.985 434 HD2 PHE 57 HD2 PHE 57 -9.059 -7.912 11.447 435 HE1 PHE 57 HE1 PHE 57 -11.901 -4.718 13.817 436 HE2 PHE 57 HE2 PHE 57 -10.907 -6.819 10.274 437 HZ PHE 57 HZ PHE 57 -12.328 -5.222 11.456 438 H LEU 58 H LEU 58 -7.910 -10.985 13.981 439 HA LEU 58 HA LEU 58 -5.426 -10.913 15.528 440 HB2 LEU 58 HB2 LEU 58 -7.501 -13.012 15.426 441 HB3 LEU 58 HB3 LEU 58 -5.834 -13.553 15.407 442 HG LEU 58 HG LEU 58 -5.496 -12.185 17.500 443 HD11 LEU 58 HD11 LEU 58 -7.433 -11.623 18.836 444 HD12 LEU 58 HD12 LEU 58 -8.501 -12.160 17.539 445 HD13 LEU 58 HD13 LEU 58 -7.463 -10.752 17.303 446 HD21 LEU 58 HD21 LEU 58 -6.436 -13.845 18.966 447 HD22 LEU 58 HD22 LEU 58 -5.680 -14.582 17.553 448 HD23 LEU 58 HD23 LEU 58 -7.441 -14.458 17.651 449 H PHE 59 H PHE 59 -3.662 -11.832 14.625 450 HA PHE 59 HA PHE 59 -3.933 -12.570 11.799 451 HB2 PHE 59 HB2 PHE 59 -2.742 -10.392 12.170 452 HB3 PHE 59 HB3 PHE 59 -1.575 -11.253 13.163 453 HD1 PHE 59 HD1 PHE 59 -3.125 -11.767 9.830 454 HD2 PHE 59 HD2 PHE 59 0.422 -11.635 12.147 455 HE1 PHE 59 HE1 PHE 59 -1.806 -12.271 7.817 456 HE2 PHE 59 HE2 PHE 59 1.759 -12.161 10.146 457 HZ PHE 59 HZ PHE 59 0.644 -12.476 7.978 458 H ASP 60 H ASP 60 -3.624 -14.674 11.567 459 HA ASP 60 HA ASP 60 -2.986 -16.804 11.906 460 HB2 ASP 60 HB2 ASP 60 -0.407 -15.480 12.728 461 HB3 ASP 60 HB3 ASP 60 -0.590 -17.213 12.501 462 H GLY 61 H GLY 61 -4.259 -15.428 14.109 463 HA2 GLY 61 HA2 GLY 61 -5.165 -16.503 16.003 464 HA3 GLY 61 HA3 GLY 61 -3.740 -17.527 16.072 465 H ARG 62 H ARG 62 -2.770 -14.357 15.677 466 HA ARG 62 HA ARG 62 -2.701 -13.942 18.597 467 HB2 ARG 62 HB2 ARG 62 -0.498 -12.898 18.350 468 HB3 ARG 62 HB3 ARG 62 -0.497 -14.549 17.750 469 HG2 ARG 62 HG2 ARG 62 0.742 -13.499 16.146 470 HG3 ARG 62 HG3 ARG 62 -0.873 -13.423 15.443 471 HD2 ARG 62 HD2 ARG 62 0.064 -11.278 15.150 472 HD3 ARG 62 HD3 ARG 62 -1.076 -11.131 16.489 473 HE ARG 62 HE ARG 62 1.560 -11.708 17.400 474 HH11 ARG 62 HH11 ARG 62 -0.516 -9.144 16.276 475 HH12 ARG 62 HH12 ARG 62 0.379 -7.881 17.048 476 HH21 ARG 62 HH21 ARG 62 2.800 -10.042 18.396 477 HH22 ARG 62 HH22 ARG 62 2.296 -8.387 18.225 478 H ARG 63 H ARG 63 -3.209 -12.053 19.354 479 HA ARG 63 HA ARG 63 -4.960 -10.483 17.793 480 HB2 ARG 63 HB2 ARG 63 -5.184 -9.140 19.832 481 HB3 ARG 63 HB3 ARG 63 -5.371 -10.863 20.121 482 HG2 ARG 63 HG2 ARG 63 -2.857 -10.788 20.725 483 HG3 ARG 63 HG3 ARG 63 -3.133 -9.051 20.899 484 HD2 ARG 63 HD2 ARG 63 -4.669 -11.229 22.256 485 HD3 ARG 63 HD3 ARG 63 -3.398 -10.270 23.012 486 HE ARG 63 HE ARG 63 -6.115 -9.416 22.366 487 HH11 ARG 63 HH11 ARG 63 -2.932 -8.492 23.518 488 HH12 ARG 63 HH12 ARG 63 -3.487 -7.038 24.271 489 HH21 ARG 63 HH21 ARG 63 -6.849 -7.492 23.363 490 HH22 ARG 63 HH22 ARG 63 -5.728 -6.468 24.190 491 H ILE 64 H ILE 64 -4.861 -8.526 17.017 492 HA ILE 64 HA ILE 64 -2.182 -7.437 16.536 493 HB ILE 64 HB ILE 64 -4.865 -6.715 15.311 494 HG12 ILE 64 HG12 ILE 64 -2.592 -8.302 14.103 495 HG13 ILE 64 HG13 ILE 64 -4.023 -9.029 14.826 496 HG21 ILE 64 HG21 ILE 64 -3.193 -4.874 15.259 497 HG22 ILE 64 HG22 ILE 64 -3.605 -5.475 13.652 498 HG23 ILE 64 HG23 ILE 64 -2.087 -5.956 14.405 499 HD11 ILE 64 HD11 ILE 64 -3.956 -7.219 12.426 500 HD12 ILE 64 HD12 ILE 64 -5.413 -7.880 13.167 501 HD13 ILE 64 HD13 ILE 64 -4.234 -8.962 12.427 502 H ASN 65 H ASN 65 -1.476 -5.815 17.750 503 HA ASN 65 HA ASN 65 -3.473 -4.073 19.021 504 HB2 ASN 65 HB2 ASN 65 -0.821 -4.998 20.138 505 HB3 ASN 65 HB3 ASN 65 -1.830 -3.757 20.872 506 HD21 ASN 65 HD21 ASN 65 -3.821 -4.351 21.773 507 HD22 ASN 65 HD22 ASN 65 -4.155 -5.988 22.210 508 H ASP 66 H ASP 66 -2.620 -1.929 19.639 509 HA ASP 66 HA ASP 66 -1.502 -0.610 17.365 510 HB2 ASP 66 HB2 ASP 66 -1.662 1.420 18.750 511 HB3 ASP 66 HB3 ASP 66 -3.148 0.481 18.851 512 H ASP 67 H ASP 67 -0.212 -2.262 19.948 513 HA ASP 67 HA ASP 67 2.223 -0.759 20.288 514 HB2 ASP 67 HB2 ASP 67 1.187 -2.040 22.138 515 HB3 ASP 67 HB3 ASP 67 1.486 -3.529 21.254 516 H ASP 68 H ASP 68 1.076 -3.212 18.179 517 HA ASP 68 HA ASP 68 3.594 -4.495 17.755 518 HB2 ASP 68 HB2 ASP 68 1.007 -4.657 16.228 519 HB3 ASP 68 HB3 ASP 68 2.431 -5.628 15.874 520 H THR 69 H THR 69 4.976 -4.373 16.093 521 HA THR 69 HA THR 69 4.963 -1.911 14.555 522 HB THR 69 HB THR 69 7.266 -2.569 13.940 523 HG1 THR 69 HG1 THR 69 7.618 -4.606 15.648 524 HG21 THR 69 HG21 THR 69 8.271 -2.456 16.185 525 HG22 THR 69 HG22 THR 69 6.700 -2.821 16.900 526 HG23 THR 69 HG23 THR 69 6.939 -1.314 16.015 527 HA PRO 70 HA PRO 70 3.766 -3.710 10.654 528 HB2 PRO 70 HB2 PRO 70 5.819 -2.858 8.999 529 HB3 PRO 70 HB3 PRO 70 4.425 -1.871 9.452 530 HG2 PRO 70 HG2 PRO 70 7.178 -1.919 10.630 531 HG3 PRO 70 HG3 PRO 70 6.147 -0.525 10.249 532 HD2 PRO 70 HD2 PRO 70 6.379 -1.380 12.749 533 HD3 PRO 70 HD3 PRO 70 4.803 -0.857 12.122 534 H LYS 71 H LYS 71 7.028 -4.218 11.856 535 HA LYS 71 HA LYS 71 7.629 -6.259 9.985 536 HB2 LYS 71 HB2 LYS 71 9.563 -5.195 10.554 537 HB3 LYS 71 HB3 LYS 71 9.019 -4.838 12.183 538 HG2 LYS 71 HG2 LYS 71 9.605 -7.657 11.506 539 HG3 LYS 71 HG3 LYS 71 10.962 -6.539 11.684 540 HD2 LYS 71 HD2 LYS 71 10.634 -6.287 13.908 541 HD3 LYS 71 HD3 LYS 71 8.876 -6.380 13.754 542 HE2 LYS 71 HE2 LYS 71 9.651 -8.283 14.970 543 HE3 LYS 71 HE3 LYS 71 9.070 -8.778 13.381 544 HZ1 LYS 71 HZ1 LYS 71 11.391 -8.833 12.617 545 HZ2 LYS 71 HZ2 LYS 71 11.126 -9.914 13.884 546 HZ3 LYS 71 HZ3 LYS 71 11.917 -8.448 14.180 547 H THR 72 H THR 72 6.588 -6.104 13.384 548 HA THR 72 HA THR 72 6.828 -8.941 13.685 549 HB THR 72 HB THR 72 6.988 -7.322 15.628 550 HG1 THR 72 HG1 THR 72 5.197 -9.541 15.694 551 HG21 THR 72 HG21 THR 72 5.038 -5.939 15.079 552 HG22 THR 72 HG22 THR 72 4.906 -6.622 16.700 553 HG23 THR 72 HG23 THR 72 3.980 -7.319 15.370 554 H LEU 73 H LEU 73 4.269 -6.723 12.744 555 HA LEU 73 HA LEU 73 2.189 -8.668 12.886 556 HB2 LEU 73 HB2 LEU 73 2.394 -6.078 11.361 557 HB3 LEU 73 HB3 LEU 73 0.957 -7.089 11.401 558 HG LEU 73 HG LEU 73 2.213 -5.852 13.848 559 HD11 LEU 73 HD11 LEU 73 1.372 -4.126 12.315 560 HD12 LEU 73 HD12 LEU 73 0.415 -4.231 13.791 561 HD13 LEU 73 HD13 LEU 73 -0.200 -4.926 12.294 562 HD21 LEU 73 HD21 LEU 73 0.057 -6.426 14.881 563 HD22 LEU 73 HD22 LEU 73 0.922 -7.852 14.315 564 HD23 LEU 73 HD23 LEU 73 -0.436 -7.219 13.385 565 H GLU 74 H GLU 74 4.617 -7.839 10.581 566 HA GLU 74 HA GLU 74 5.311 -8.761 8.627 567 HB2 GLU 74 HB2 GLU 74 5.377 -10.663 10.317 568 HB3 GLU 74 HB3 GLU 74 3.904 -11.252 9.564 569 HG2 GLU 74 HG2 GLU 74 5.055 -11.540 7.464 570 HG3 GLU 74 HG3 GLU 74 6.524 -10.844 8.146 571 H MET 75 H MET 75 2.528 -7.592 8.655 572 HA MET 75 HA MET 75 1.064 -9.170 6.743 573 HB2 MET 75 HB2 MET 75 -0.550 -7.301 6.720 574 HB3 MET 75 HB3 MET 75 -0.206 -7.878 8.343 575 HG2 MET 75 HG2 MET 75 1.253 -5.983 8.734 576 HG3 MET 75 HG3 MET 75 0.994 -5.421 7.085 577 HE1 MET 75 HE1 MET 75 -1.647 -6.935 9.652 578 HE2 MET 75 HE2 MET 75 -2.218 -5.444 10.403 579 HE3 MET 75 HE3 MET 75 -0.545 -5.956 10.616 580 H GLU 76 H GLU 76 0.336 -8.244 4.638 581 HA GLU 76 HA GLU 76 2.243 -6.416 3.432 582 HB2 GLU 76 HB2 GLU 76 2.681 -7.908 1.551 583 HB3 GLU 76 HB3 GLU 76 3.224 -8.633 3.055 584 HG2 GLU 76 HG2 GLU 76 1.379 -10.124 3.095 585 HG3 GLU 76 HG3 GLU 76 0.586 -9.273 1.771 586 H ASP 77 H ASP 77 1.531 -6.336 0.940 587 HA ASP 77 HA ASP 77 -1.035 -5.180 0.981 588 HB2 ASP 77 HB2 ASP 77 0.757 -4.434 -0.524 589 HB3 ASP 77 HB3 ASP 77 0.644 -5.958 -1.396 590 H ASP 78 H ASP 78 -2.846 -6.137 1.009 591 HA ASP 78 HA ASP 78 -4.646 -7.393 0.483 592 HB2 ASP 78 HB2 ASP 78 -3.817 -7.182 -1.879 593 HB3 ASP 78 HB3 ASP 78 -2.984 -8.716 -1.650 594 H ASP 79 H ASP 79 -2.700 -8.109 2.451 595 HA ASP 79 HA ASP 79 -2.654 -11.010 2.397 596 HB2 ASP 79 HB2 ASP 79 -0.887 -9.412 3.540 597 HB3 ASP 79 HB3 ASP 79 -2.034 -9.468 4.879 598 H VAL 80 H VAL 80 -3.370 -11.898 4.748 599 HA VAL 80 HA VAL 80 -6.196 -11.131 4.821 600 HB VAL 80 HB VAL 80 -6.657 -13.460 5.546 601 HG11 VAL 80 HG11 VAL 80 -6.903 -12.845 3.217 602 HG12 VAL 80 HG12 VAL 80 -6.257 -14.482 3.332 603 HG13 VAL 80 HG13 VAL 80 -5.188 -13.134 2.935 604 HG21 VAL 80 HG21 VAL 80 -4.876 -15.152 5.214 605 HG22 VAL 80 HG22 VAL 80 -4.507 -14.013 6.512 606 HG23 VAL 80 HG23 VAL 80 -3.726 -13.838 4.940 607 H ILE 81 H ILE 81 -7.261 -11.137 6.734 608 HA ILE 81 HA ILE 81 -5.737 -11.341 9.198 609 HB ILE 81 HB ILE 81 -6.811 -8.883 8.027 610 HG12 ILE 81 HG12 ILE 81 -4.897 -9.414 10.305 611 HG13 ILE 81 HG13 ILE 81 -4.462 -9.207 8.614 612 HG21 ILE 81 HG21 ILE 81 -7.542 -9.511 10.868 613 HG22 ILE 81 HG22 ILE 81 -8.609 -9.075 9.521 614 HG23 ILE 81 HG23 ILE 81 -7.495 -7.882 10.185 615 HD11 ILE 81 HD11 ILE 81 -5.147 -6.906 8.676 616 HD12 ILE 81 HD12 ILE 81 -4.038 -7.216 10.008 617 HD13 ILE 81 HD13 ILE 81 -5.771 -7.097 10.312 618 H GLU 82 H GLU 82 -6.924 -12.044 10.954 619 HA GLU 82 HA GLU 82 -9.513 -13.198 10.201 620 HB2 GLU 82 HB2 GLU 82 -7.688 -13.852 12.507 621 HB3 GLU 82 HB3 GLU 82 -9.138 -14.729 12.049 622 HG2 GLU 82 HG2 GLU 82 -8.112 -15.382 9.953 623 HG3 GLU 82 HG3 GLU 82 -6.667 -14.457 10.356 624 H VAL 83 H VAL 83 -11.320 -12.936 11.440 625 HA VAL 83 HA VAL 83 -11.126 -11.042 13.684 626 HB VAL 83 HB VAL 83 -13.431 -11.421 11.765 627 HG11 VAL 83 HG11 VAL 83 -13.252 -9.648 14.207 628 HG12 VAL 83 HG12 VAL 83 -14.265 -11.083 14.053 629 HG13 VAL 83 HG13 VAL 83 -14.580 -9.669 13.046 630 HG21 VAL 83 HG21 VAL 83 -11.552 -10.057 10.972 631 HG22 VAL 83 HG22 VAL 83 -11.772 -9.008 12.382 632 HG23 VAL 83 HG23 VAL 83 -13.047 -9.143 11.166 633 H TYR 84 H TYR 84 -11.759 -11.729 15.556 634 HA TYR 84 HA TYR 84 -13.124 -14.293 15.697 635 HB2 TYR 84 HB2 TYR 84 -11.355 -12.837 17.635 636 HB3 TYR 84 HB3 TYR 84 -12.410 -14.144 18.162 637 HD1 TYR 84 HD1 TYR 84 -9.551 -13.310 15.976 638 HD2 TYR 84 HD2 TYR 84 -11.888 -16.420 17.686 639 HE1 TYR 84 HE1 TYR 84 -7.882 -14.963 15.243 640 HE2 TYR 84 HE2 TYR 84 -10.229 -18.078 16.960 641 HH TYR 84 HH TYR 84 -8.489 -18.319 15.285 642 H GLN 85 H GLN 85 -14.565 -14.446 17.746 643 HA GLN 85 HA GLN 85 -16.737 -12.767 17.085 644 HB2 GLN 85 HB2 GLN 85 -16.328 -14.780 19.273 645 HB3 GLN 85 HB3 GLN 85 -17.842 -13.919 19.030 646 HG2 GLN 85 HG2 GLN 85 -18.118 -14.884 16.871 647 HG3 GLN 85 HG3 GLN 85 -16.509 -15.601 16.932 648 HE21 GLN 85 HE21 GLN 85 -19.164 -16.790 16.608 649 HE22 GLN 85 HE22 GLN 85 -19.299 -17.970 17.866 650 H GLU 86 H GLU 86 -17.857 -11.345 18.340 651 HA GLU 86 HA GLU 86 -16.095 -9.677 19.941 652 HB2 GLU 86 HB2 GLU 86 -17.837 -7.946 19.582 653 HB3 GLU 86 HB3 GLU 86 -17.139 -8.572 18.097 654 HG2 GLU 86 HG2 GLU 86 -19.701 -9.634 19.206 655 HG3 GLU 86 HG3 GLU 86 -19.671 -8.209 18.176 656 H GLN 87 H GLN 87 -16.853 -8.633 21.808 657 HA GLN 87 HA GLN 87 -18.066 -10.335 23.720 658 HB2 GLN 87 HB2 GLN 87 -16.379 -8.701 24.378 659 HB3 GLN 87 HB3 GLN 87 -17.424 -7.384 23.882 660 HG2 GLN 87 HG2 GLN 87 -18.966 -7.847 25.612 661 HG3 GLN 87 HG3 GLN 87 -18.096 -9.315 26.082 662 HE21 GLN 87 HE21 GLN 87 -18.766 -7.003 27.682 663 HE22 GLN 87 HE22 GLN 87 -17.274 -6.342 28.249 664 H LEU 88 H LEU 88 -19.212 -7.497 21.963 665 HA LEU 88 HA LEU 88 -21.718 -7.305 23.223 666 HB2 LEU 88 HB2 LEU 88 -20.767 -5.509 21.844 667 HB3 LEU 88 HB3 LEU 88 -20.911 -6.520 20.422 668 HG LEU 88 HG LEU 88 -23.366 -6.471 20.642 669 HD11 LEU 88 HD11 LEU 88 -22.819 -4.568 22.913 670 HD12 LEU 88 HD12 LEU 88 -23.539 -6.173 23.041 671 HD13 LEU 88 HD13 LEU 88 -24.398 -4.886 22.198 672 HD21 LEU 88 HD21 LEU 88 -22.032 -3.766 20.583 673 HD22 LEU 88 HD22 LEU 88 -23.669 -4.108 20.023 674 HD23 LEU 88 HD23 LEU 88 -22.289 -4.842 19.210 675 H GLY 89 H GLY 89 -20.573 -9.054 20.418 676 HA2 GLY 89 HA2 GLY 89 -21.350 -11.276 19.979 677 HA3 GLY 89 HA3 GLY 89 -22.902 -10.831 20.670 678 H GLY 90 H GLY 90 -22.410 -12.090 18.151 679 HA2 GLY 90 HA2 GLY 90 -23.901 -10.212 16.494 680 HA3 GLY 90 HA3 GLY 90 -22.397 -10.855 15.840 Start of MODEL 8 1 H MET 1 H MET 1 -13.564 -8.101 -9.236 2 HA MET 1 HA MET 1 -13.361 -5.864 -7.318 3 HB2 MET 1 HB2 MET 1 -12.846 -4.473 -9.259 4 HB3 MET 1 HB3 MET 1 -11.664 -5.762 -9.098 5 HG2 MET 1 HG2 MET 1 -12.711 -7.005 -10.883 6 HG3 MET 1 HG3 MET 1 -14.001 -5.813 -10.996 7 HE1 MET 1 HE1 MET 1 -10.093 -5.288 -10.542 8 HE2 MET 1 HE2 MET 1 -9.609 -5.082 -12.225 9 HE3 MET 1 HE3 MET 1 -10.245 -6.630 -11.674 10 H ALA 2 H ALA 2 -15.069 -4.554 -7.163 11 HA ALA 2 HA ALA 2 -17.411 -5.119 -8.852 12 HB1 ALA 2 HB1 ALA 2 -17.256 -3.793 -6.135 13 HB2 ALA 2 HB2 ALA 2 -17.807 -5.439 -6.448 14 HB3 ALA 2 HB3 ALA 2 -18.733 -4.068 -7.058 15 H ASP 3 H ASP 3 -18.060 -3.546 -10.231 16 HA ASP 3 HA ASP 3 -18.054 -1.613 -11.442 17 HB2 ASP 3 HB2 ASP 3 -18.699 -0.540 -9.275 18 HB3 ASP 3 HB3 ASP 3 -16.999 -0.339 -8.883 19 H ASP 4 H ASP 4 -16.294 0.302 -12.042 20 HA ASP 4 HA ASP 4 -13.970 -1.099 -12.866 21 HB2 ASP 4 HB2 ASP 4 -13.106 1.147 -13.553 22 HB3 ASP 4 HB3 ASP 4 -14.682 0.752 -14.223 23 H ALA 5 H ALA 5 -14.706 1.080 -10.268 24 HA ALA 5 HA ALA 5 -13.661 1.634 -8.329 25 HB1 ALA 5 HB1 ALA 5 -12.273 -1.021 -8.700 26 HB2 ALA 5 HB2 ALA 5 -13.865 -0.793 -7.977 27 HB3 ALA 5 HB3 ALA 5 -12.436 -0.125 -7.189 28 H ALA 6 H ALA 6 -12.496 2.601 -10.748 29 HA ALA 6 HA ALA 6 -9.640 2.427 -10.478 30 HB1 ALA 6 HB1 ALA 6 -11.309 4.212 -12.248 31 HB2 ALA 6 HB2 ALA 6 -10.669 2.632 -12.698 32 HB3 ALA 6 HB3 ALA 6 -9.567 3.969 -12.369 33 H GLN 7 H GLN 7 -9.279 3.172 -8.469 34 HA GLN 7 HA GLN 7 -10.143 5.830 -7.678 35 HB2 GLN 7 HB2 GLN 7 -8.566 3.676 -6.316 36 HB3 GLN 7 HB3 GLN 7 -8.978 5.212 -5.566 37 HG2 GLN 7 HG2 GLN 7 -11.327 4.669 -5.672 38 HG3 GLN 7 HG3 GLN 7 -10.974 3.190 -6.564 39 HE21 GLN 7 HE21 GLN 7 -12.349 3.535 -4.029 40 HE22 GLN 7 HE22 GLN 7 -11.462 2.610 -2.866 41 H ALA 8 H ALA 8 -8.532 7.329 -6.790 42 HA ALA 8 HA ALA 8 -6.053 7.237 -8.304 43 HB1 ALA 8 HB1 ALA 8 -5.771 9.561 -7.585 44 HB2 ALA 8 HB2 ALA 8 -7.215 9.441 -6.585 45 HB3 ALA 8 HB3 ALA 8 -7.350 9.345 -8.341 46 H GLY 9 H GLY 9 -4.271 6.596 -7.325 47 HA2 GLY 9 HA2 GLY 9 -4.453 5.566 -4.695 48 HA3 GLY 9 HA3 GLY 9 -3.004 5.582 -5.691 49 H ASP 10 H ASP 10 -5.071 7.939 -3.994 50 HA ASP 10 HA ASP 10 -2.742 9.501 -3.256 51 HB2 ASP 10 HB2 ASP 10 -4.834 10.645 -3.904 52 HB3 ASP 10 HB3 ASP 10 -5.659 9.898 -2.543 53 H ASN 11 H ASN 11 -1.989 7.486 -2.182 54 HA ASN 11 HA ASN 11 -2.052 7.848 0.616 55 HB2 ASN 11 HB2 ASN 11 -4.266 6.578 0.115 56 HB3 ASN 11 HB3 ASN 11 -3.232 5.202 -0.254 57 HD21 ASN 11 HD21 ASN 11 -4.109 4.019 1.449 58 HD22 ASN 11 HD22 ASN 11 -3.712 4.352 3.097 59 H ALA 12 H ALA 12 -0.166 7.895 -1.280 60 HA ALA 12 HA ALA 12 1.201 5.391 -1.522 61 HB1 ALA 12 HB1 ALA 12 2.106 8.174 -2.176 62 HB2 ALA 12 HB2 ALA 12 1.266 7.082 -3.274 63 HB3 ALA 12 HB3 ALA 12 2.886 6.679 -2.694 64 H GLU 13 H GLU 13 3.462 5.169 -0.864 65 HA GLU 13 HA GLU 13 5.072 4.977 0.657 66 HB2 GLU 13 HB2 GLU 13 4.019 7.598 1.689 67 HB3 GLU 13 HB3 GLU 13 5.518 6.848 2.232 68 HG2 GLU 13 HG2 GLU 13 4.884 7.893 -0.520 69 HG3 GLU 13 HG3 GLU 13 6.026 8.571 0.640 70 H TYR 14 H TYR 14 2.678 3.806 0.908 71 HA TYR 14 HA TYR 14 2.617 3.243 3.770 72 HB2 TYR 14 HB2 TYR 14 0.217 3.629 1.976 73 HB3 TYR 14 HB3 TYR 14 0.127 2.743 3.493 74 HD1 TYR 14 HD1 TYR 14 0.684 6.066 1.991 75 HD2 TYR 14 HD2 TYR 14 0.119 3.882 5.587 76 HE1 TYR 14 HE1 TYR 14 0.309 8.175 3.215 77 HE2 TYR 14 HE2 TYR 14 -0.257 5.971 6.813 78 HH TYR 14 HH TYR 14 -0.775 8.944 5.272 79 H ILE 15 H ILE 15 1.501 1.072 4.134 80 HA ILE 15 HA ILE 15 2.636 -0.750 2.126 81 HB ILE 15 HB ILE 15 3.176 -2.264 3.834 82 HG12 ILE 15 HG12 ILE 15 1.285 -0.748 5.644 83 HG13 ILE 15 HG13 ILE 15 1.000 -2.322 4.894 84 HG21 ILE 15 HG21 ILE 15 3.498 0.446 5.074 85 HG22 ILE 15 HG22 ILE 15 4.604 -0.326 3.937 86 HG23 ILE 15 HG23 ILE 15 4.368 -1.014 5.544 87 HD11 ILE 15 HD11 ILE 15 2.787 -3.298 6.210 88 HD12 ILE 15 HD12 ILE 15 1.599 -2.520 7.259 89 HD13 ILE 15 HD13 ILE 15 3.140 -1.726 6.930 90 H LYS 16 H LYS 16 1.479 -2.796 1.975 91 HA LYS 16 HA LYS 16 -1.399 -2.304 2.154 92 HB2 LYS 16 HB2 LYS 16 -0.215 -2.565 -0.074 93 HB3 LYS 16 HB3 LYS 16 -0.012 -4.246 0.368 94 HG2 LYS 16 HG2 LYS 16 -2.331 -4.653 0.364 95 HG3 LYS 16 HG3 LYS 16 -2.692 -2.920 0.248 96 HD2 LYS 16 HD2 LYS 16 -2.992 -4.018 -1.920 97 HD3 LYS 16 HD3 LYS 16 -1.656 -2.866 -1.979 98 HE2 LYS 16 HE2 LYS 16 -0.069 -4.703 -1.680 99 HE3 LYS 16 HE3 LYS 16 -1.403 -5.851 -1.621 100 HZ1 LYS 16 HZ1 LYS 16 -1.970 -5.223 -3.893 101 HZ2 LYS 16 HZ2 LYS 16 -0.387 -5.801 -3.796 102 HZ3 LYS 16 HZ3 LYS 16 -0.667 -4.147 -3.934 103 H ILE 17 H ILE 17 -2.680 -3.885 2.971 104 HA ILE 17 HA ILE 17 -1.345 -6.259 4.034 105 HB ILE 17 HB ILE 17 -3.237 -4.443 5.503 106 HG12 ILE 17 HG12 ILE 17 -0.523 -5.537 6.255 107 HG13 ILE 17 HG13 ILE 17 -0.813 -3.940 5.576 108 HG21 ILE 17 HG21 ILE 17 -3.831 -6.917 5.668 109 HG22 ILE 17 HG22 ILE 17 -3.594 -6.035 7.165 110 HG23 ILE 17 HG23 ILE 17 -2.320 -7.103 6.565 111 HD11 ILE 17 HD11 ILE 17 -1.754 -4.985 8.227 112 HD12 ILE 17 HD12 ILE 17 -2.233 -3.437 7.540 113 HD13 ILE 17 HD13 ILE 17 -0.540 -3.741 7.933 114 H LYS 18 H LYS 18 -2.331 -8.125 3.679 115 HA LYS 18 HA LYS 18 -4.971 -8.016 2.430 116 HB2 LYS 18 HB2 LYS 18 -3.422 -10.544 2.849 117 HB3 LYS 18 HB3 LYS 18 -4.598 -10.166 1.612 118 HG2 LYS 18 HG2 LYS 18 -2.788 -8.540 0.685 119 HG3 LYS 18 HG3 LYS 18 -1.704 -9.439 1.745 120 HD2 LYS 18 HD2 LYS 18 -3.464 -10.668 -0.370 121 HD3 LYS 18 HD3 LYS 18 -1.731 -10.374 -0.516 122 HE2 LYS 18 HE2 LYS 18 -1.285 -11.903 1.311 123 HE3 LYS 18 HE3 LYS 18 -3.011 -12.129 1.577 124 HZ1 LYS 18 HZ1 LYS 18 -3.223 -13.196 -0.517 125 HZ2 LYS 18 HZ2 LYS 18 -1.945 -13.938 0.310 126 HZ3 LYS 18 HZ3 LYS 18 -1.619 -12.850 -0.938 127 H VAL 19 H VAL 19 -6.468 -7.918 3.974 128 HA VAL 19 HA VAL 19 -6.185 -9.293 6.471 129 HB VAL 19 HB VAL 19 -8.523 -7.808 5.236 130 HG11 VAL 19 HG11 VAL 19 -8.168 -8.774 8.060 131 HG12 VAL 19 HG12 VAL 19 -9.258 -9.469 6.861 132 HG13 VAL 19 HG13 VAL 19 -9.518 -7.823 7.440 133 HG21 VAL 19 HG21 VAL 19 -6.609 -6.366 5.697 134 HG22 VAL 19 HG22 VAL 19 -6.549 -6.960 7.357 135 HG23 VAL 19 HG23 VAL 19 -7.936 -6.021 6.806 136 H VAL 20 H VAL 20 -6.572 -11.399 6.629 137 HA VAL 20 HA VAL 20 -8.490 -12.637 4.785 138 HB VAL 20 HB VAL 20 -6.176 -13.923 6.265 139 HG11 VAL 20 HG11 VAL 20 -8.066 -15.084 4.222 140 HG12 VAL 20 HG12 VAL 20 -8.025 -15.471 5.942 141 HG13 VAL 20 HG13 VAL 20 -6.663 -15.904 4.908 142 HG21 VAL 20 HG21 VAL 20 -5.142 -14.166 4.051 143 HG22 VAL 20 HG22 VAL 20 -5.388 -12.472 4.475 144 HG23 VAL 20 HG23 VAL 20 -6.476 -13.262 3.334 145 H GLY 21 H GLY 21 -10.308 -13.199 5.680 146 HA2 GLY 21 HA2 GLY 21 -10.565 -13.294 8.576 147 HA3 GLY 21 HA3 GLY 21 -11.881 -13.385 7.421 148 H GLN 22 H GLN 22 -12.398 -15.036 9.183 149 HA GLN 22 HA GLN 22 -10.989 -17.442 9.364 150 HB2 GLN 22 HB2 GLN 22 -13.834 -16.746 10.016 151 HB3 GLN 22 HB3 GLN 22 -13.172 -18.349 10.304 152 HG2 GLN 22 HG2 GLN 22 -12.100 -15.796 11.486 153 HG3 GLN 22 HG3 GLN 22 -13.167 -16.930 12.313 154 HE21 GLN 22 HE21 GLN 22 -12.369 -18.958 12.903 155 HE22 GLN 22 HE22 GLN 22 -10.673 -19.277 13.006 156 H ASP 23 H ASP 23 -13.596 -16.482 7.255 157 HA ASP 23 HA ASP 23 -13.686 -19.130 6.068 158 HB2 ASP 23 HB2 ASP 23 -15.185 -16.596 5.372 159 HB3 ASP 23 HB3 ASP 23 -15.449 -18.165 4.624 160 H SER 24 H SER 24 -11.340 -17.333 6.032 161 HA SER 24 HA SER 24 -9.641 -16.755 4.665 162 HB2 SER 24 HB2 SER 24 -11.141 -18.414 2.625 163 HB3 SER 24 HB3 SER 24 -9.482 -17.841 2.446 164 HG SER 24 HG SER 24 -10.333 -20.042 3.665 165 H ASN 25 H ASN 25 -11.742 -15.036 5.039 166 HA ASN 25 HA ASN 25 -12.491 -13.813 2.517 167 HB2 ASN 25 HB2 ASN 25 -12.698 -12.624 5.287 168 HB3 ASN 25 HB3 ASN 25 -13.607 -12.148 3.861 169 HD21 ASN 25 HD21 ASN 25 -15.296 -13.471 3.139 170 HD22 ASN 25 HD22 ASN 25 -16.012 -14.659 4.171 171 H GLU 26 H GLU 26 -10.805 -12.963 1.424 172 HA GLU 26 HA GLU 26 -8.796 -11.438 2.913 173 HB2 GLU 26 HB2 GLU 26 -7.799 -13.189 1.704 174 HB3 GLU 26 HB3 GLU 26 -8.700 -12.807 0.243 175 HG2 GLU 26 HG2 GLU 26 -7.435 -10.604 0.224 176 HG3 GLU 26 HG3 GLU 26 -6.426 -11.288 1.496 177 H VAL 27 H VAL 27 -8.656 -9.346 2.734 178 HA VAL 27 HA VAL 27 -9.525 -7.979 0.301 179 HB VAL 27 HB VAL 27 -11.473 -7.843 1.769 180 HG11 VAL 27 HG11 VAL 27 -11.356 -6.746 3.944 181 HG12 VAL 27 HG12 VAL 27 -9.603 -6.615 3.776 182 HG13 VAL 27 HG13 VAL 27 -10.361 -8.204 3.895 183 HG21 VAL 27 HG21 VAL 27 -11.010 -5.901 0.386 184 HG22 VAL 27 HG22 VAL 27 -9.958 -5.238 1.636 185 HG23 VAL 27 HG23 VAL 27 -11.691 -5.393 1.932 186 H HIS 28 H HIS 28 -8.423 -6.081 -0.155 187 HA HIS 28 HA HIS 28 -5.912 -5.848 1.295 188 HB2 HIS 28 HB2 HIS 28 -6.831 -4.775 -1.349 189 HB3 HIS 28 HB3 HIS 28 -5.331 -4.248 -0.602 190 HD2 HIS 28 HD2 HIS 28 -5.105 -7.746 0.256 191 HE1 HIS 28 HE1 HIS 28 -3.861 -7.664 -3.794 192 HE2 HIS 28 HE2 HIS 28 -3.678 -8.856 -1.598 193 H PHE 29 H PHE 29 -5.742 -4.523 2.864 194 HA PHE 29 HA PHE 29 -6.965 -1.859 2.650 195 HB2 PHE 29 HB2 PHE 29 -6.161 -3.478 5.048 196 HB3 PHE 29 HB3 PHE 29 -6.368 -1.740 5.148 197 HD1 PHE 29 HD1 PHE 29 -8.098 -4.943 4.602 198 HD2 PHE 29 HD2 PHE 29 -8.518 -0.745 5.120 199 HE1 PHE 29 HE1 PHE 29 -10.505 -5.225 4.961 200 HE2 PHE 29 HE2 PHE 29 -10.927 -1.026 5.483 201 HZ PHE 29 HZ PHE 29 -11.927 -3.271 5.404 202 H ARG 30 H ARG 30 -5.698 -0.057 2.946 203 HA ARG 30 HA ARG 30 -2.809 -0.560 2.748 204 HB2 ARG 30 HB2 ARG 30 -3.886 0.590 0.822 205 HB3 ARG 30 HB3 ARG 30 -4.342 1.898 1.901 206 HG2 ARG 30 HG2 ARG 30 -2.419 2.683 0.872 207 HG3 ARG 30 HG3 ARG 30 -1.849 2.082 2.420 208 HD2 ARG 30 HD2 ARG 30 -0.335 1.354 0.694 209 HD3 ARG 30 HD3 ARG 30 -1.215 -0.037 1.334 210 HE ARG 30 HE ARG 30 -2.710 0.638 -0.780 211 HH11 ARG 30 HH11 ARG 30 0.760 0.238 -0.475 212 HH12 ARG 30 HH12 ARG 30 0.950 -0.438 -2.054 213 HH21 ARG 30 HH21 ARG 30 -2.467 -0.262 -2.875 214 HH22 ARG 30 HH22 ARG 30 -0.894 -0.729 -3.428 215 H VAL 31 H VAL 31 -1.669 -0.062 4.459 216 HA VAL 31 HA VAL 31 -2.485 2.158 6.187 217 HB VAL 31 HB VAL 31 -2.047 0.896 8.229 218 HG11 VAL 31 HG11 VAL 31 -4.106 -0.441 6.478 219 HG12 VAL 31 HG12 VAL 31 -4.345 1.003 7.463 220 HG13 VAL 31 HG13 VAL 31 -4.030 -0.551 8.238 221 HG21 VAL 31 HG21 VAL 31 -0.464 -0.711 7.336 222 HG22 VAL 31 HG22 VAL 31 -1.756 -1.496 6.427 223 HG23 VAL 31 HG23 VAL 31 -1.773 -1.523 8.192 224 H LYS 32 H LYS 32 -0.684 2.431 7.926 225 HA LYS 32 HA LYS 32 1.795 2.751 6.443 226 HB2 LYS 32 HB2 LYS 32 0.692 4.551 7.843 227 HB3 LYS 32 HB3 LYS 32 1.125 3.608 9.248 228 HG2 LYS 32 HG2 LYS 32 3.435 3.906 8.868 229 HG3 LYS 32 HG3 LYS 32 3.152 4.598 7.271 230 HD2 LYS 32 HD2 LYS 32 3.675 6.339 8.886 231 HD3 LYS 32 HD3 LYS 32 2.019 6.511 8.298 232 HE2 LYS 32 HE2 LYS 32 1.204 5.405 10.338 233 HE3 LYS 32 HE3 LYS 32 2.862 5.263 10.917 234 HZ1 LYS 32 HZ1 LYS 32 3.018 7.672 10.934 235 HZ2 LYS 32 HZ2 LYS 32 1.728 7.155 11.896 236 HZ3 LYS 32 HZ3 LYS 32 1.436 7.802 10.359 237 H TYR 33 H TYR 33 3.871 2.106 7.423 238 HA TYR 33 HA TYR 33 4.033 -0.511 8.359 239 HB2 TYR 33 HB2 TYR 33 5.928 1.804 8.792 240 HB3 TYR 33 HB3 TYR 33 6.329 0.138 9.177 241 HD1 TYR 33 HD1 TYR 33 5.933 2.621 6.537 242 HD2 TYR 33 HD2 TYR 33 6.760 -1.470 7.366 243 HE1 TYR 33 HE1 TYR 33 6.833 2.351 4.267 244 HE2 TYR 33 HE2 TYR 33 7.659 -1.754 5.093 245 HH TYR 33 HH TYR 33 8.511 0.778 3.147 246 H GLY 34 H GLY 34 3.995 2.562 10.132 247 HA2 GLY 34 HA2 GLY 34 4.084 1.168 12.688 248 HA3 GLY 34 HA3 GLY 34 4.232 2.901 12.440 249 H THR 35 H THR 35 1.699 1.255 10.799 250 HA THR 35 HA THR 35 -0.272 2.828 11.909 251 HB THR 35 HB THR 35 -0.093 0.623 10.026 252 HG1 THR 35 HG1 THR 35 -2.122 2.415 9.685 253 HG21 THR 35 HG21 THR 35 -1.656 -0.487 11.469 254 HG22 THR 35 HG22 THR 35 -2.540 0.119 10.065 255 HG23 THR 35 HG23 THR 35 -2.631 0.972 11.609 256 H SER 36 H SER 36 -1.744 2.535 13.463 257 HA SER 36 HA SER 36 -1.227 0.489 15.454 258 HB2 SER 36 HB2 SER 36 -3.068 2.891 15.491 259 HB3 SER 36 HB3 SER 36 -2.715 1.842 16.866 260 HG SER 36 HG SER 36 -0.390 2.490 16.094 261 H MET 37 H MET 37 -3.070 -0.711 16.383 262 HA MET 37 HA MET 37 -4.426 -2.187 14.485 263 HB2 MET 37 HB2 MET 37 -5.694 -3.174 16.252 264 HB3 MET 37 HB3 MET 37 -4.081 -2.845 16.864 265 HG2 MET 37 HG2 MET 37 -4.882 -0.895 18.037 266 HG3 MET 37 HG3 MET 37 -6.492 -1.110 17.359 267 HE1 MET 37 HE1 MET 37 -5.996 -0.752 20.484 268 HE2 MET 37 HE2 MET 37 -7.093 -1.986 21.108 269 HE3 MET 37 HE3 MET 37 -7.579 -0.985 19.742 270 H ALA 38 H ALA 38 -5.484 0.783 16.007 271 HA ALA 38 HA ALA 38 -8.222 0.590 15.455 272 HB1 ALA 38 HB1 ALA 38 -7.289 2.196 17.042 273 HB2 ALA 38 HB2 ALA 38 -8.336 2.961 15.846 274 HB3 ALA 38 HB3 ALA 38 -6.585 3.097 15.698 275 H LYS 39 H LYS 39 -5.542 1.672 13.485 276 HA LYS 39 HA LYS 39 -6.939 3.158 11.562 277 HB2 LYS 39 HB2 LYS 39 -4.450 1.474 11.288 278 HB3 LYS 39 HB3 LYS 39 -5.007 2.615 10.082 279 HG2 LYS 39 HG2 LYS 39 -4.250 3.381 12.897 280 HG3 LYS 39 HG3 LYS 39 -3.156 3.455 11.518 281 HD2 LYS 39 HD2 LYS 39 -4.728 5.023 10.412 282 HD3 LYS 39 HD3 LYS 39 -5.730 4.997 11.865 283 HE2 LYS 39 HE2 LYS 39 -3.872 5.886 13.177 284 HE3 LYS 39 HE3 LYS 39 -2.841 5.873 11.749 285 HZ1 LYS 39 HZ1 LYS 39 -4.367 7.468 10.719 286 HZ2 LYS 39 HZ2 LYS 39 -3.675 8.076 12.128 287 HZ3 LYS 39 HZ3 LYS 39 -5.275 7.529 12.144 288 H LEU 40 H LEU 40 -6.238 -0.293 11.768 289 HA LEU 40 HA LEU 40 -7.595 -0.776 9.251 290 HB2 LEU 40 HB2 LEU 40 -7.021 -3.195 9.704 291 HB3 LEU 40 HB3 LEU 40 -5.699 -2.104 9.380 292 HG LEU 40 HG LEU 40 -6.389 -2.694 12.243 293 HD11 LEU 40 HD11 LEU 40 -4.800 -4.511 10.428 294 HD12 LEU 40 HD12 LEU 40 -6.364 -4.886 11.151 295 HD13 LEU 40 HD13 LEU 40 -4.948 -4.663 12.179 296 HD21 LEU 40 HD21 LEU 40 -3.801 -2.269 10.753 297 HD22 LEU 40 HD22 LEU 40 -3.988 -2.404 12.500 298 HD23 LEU 40 HD23 LEU 40 -4.678 -1.027 11.639 299 H LYS 41 H LYS 41 -7.999 -1.530 12.660 300 HA LYS 41 HA LYS 41 -10.214 -3.221 12.379 301 HB2 LYS 41 HB2 LYS 41 -9.245 -1.522 14.654 302 HB3 LYS 41 HB3 LYS 41 -10.595 -2.639 14.786 303 HG2 LYS 41 HG2 LYS 41 -9.233 -4.491 14.370 304 HG3 LYS 41 HG3 LYS 41 -7.872 -3.483 13.882 305 HD2 LYS 41 HD2 LYS 41 -7.448 -4.283 16.075 306 HD3 LYS 41 HD3 LYS 41 -7.844 -2.562 16.158 307 HE2 LYS 41 HE2 LYS 41 -10.062 -3.037 16.930 308 HE3 LYS 41 HE3 LYS 41 -9.846 -4.764 16.655 309 HZ1 LYS 41 HZ1 LYS 41 -8.307 -3.170 18.634 310 HZ2 LYS 41 HZ2 LYS 41 -8.241 -4.845 18.416 311 HZ3 LYS 41 HZ3 LYS 41 -9.647 -4.127 18.997 312 H LYS 42 H LYS 42 -10.032 0.221 13.069 313 HA LYS 42 HA LYS 42 -12.809 0.649 13.163 314 HB2 LYS 42 HB2 LYS 42 -11.185 2.377 13.828 315 HB3 LYS 42 HB3 LYS 42 -10.680 2.545 12.151 316 HG2 LYS 42 HG2 LYS 42 -13.022 3.221 11.594 317 HG3 LYS 42 HG3 LYS 42 -13.369 3.233 13.320 318 HD2 LYS 42 HD2 LYS 42 -11.238 4.872 11.965 319 HD3 LYS 42 HD3 LYS 42 -12.830 5.473 12.416 320 HE2 LYS 42 HE2 LYS 42 -12.330 4.958 14.770 321 HE3 LYS 42 HE3 LYS 42 -10.725 4.409 14.291 322 HZ1 LYS 42 HZ1 LYS 42 -10.269 6.646 13.460 323 HZ2 LYS 42 HZ2 LYS 42 -10.640 6.660 15.108 324 HZ3 LYS 42 HZ3 LYS 42 -11.791 7.159 13.981 325 H SER 43 H SER 43 -10.526 0.612 10.538 326 HA SER 43 HA SER 43 -12.251 1.550 8.530 327 HB2 SER 43 HB2 SER 43 -9.683 -0.038 8.468 328 HB3 SER 43 HB3 SER 43 -10.496 0.514 6.986 329 HG SER 43 HG SER 43 -8.889 1.849 8.666 330 H TYR 44 H TYR 44 -11.292 -1.775 9.374 331 HA TYR 44 HA TYR 44 -13.003 -2.995 7.442 332 HB2 TYR 44 HB2 TYR 44 -10.970 -4.028 8.423 333 HB3 TYR 44 HB3 TYR 44 -11.834 -4.173 9.946 334 HD1 TYR 44 HD1 TYR 44 -11.404 -5.548 6.611 335 HD2 TYR 44 HD2 TYR 44 -13.716 -5.726 10.167 336 HE1 TYR 44 HE1 TYR 44 -12.319 -7.712 5.888 337 HE2 TYR 44 HE2 TYR 44 -14.642 -7.889 9.472 338 HH TYR 44 HH TYR 44 -15.018 -9.131 7.411 339 H ALA 45 H ALA 45 -13.265 -2.470 10.923 340 HA ALA 45 HA ALA 45 -15.657 -3.857 11.303 341 HB1 ALA 45 HB1 ALA 45 -14.260 -3.108 13.161 342 HB2 ALA 45 HB2 ALA 45 -15.922 -2.549 13.354 343 HB3 ALA 45 HB3 ALA 45 -14.674 -1.432 12.804 344 H ASP 46 H ASP 46 -14.967 -0.709 10.124 345 HA ASP 46 HA ASP 46 -17.544 0.439 10.341 346 HB2 ASP 46 HB2 ASP 46 -15.547 1.779 9.950 347 HB3 ASP 46 HB3 ASP 46 -15.332 1.035 8.374 348 H ARG 47 H ARG 47 -15.954 -1.312 7.688 349 HA ARG 47 HA ARG 47 -18.144 -0.962 5.903 350 HB2 ARG 47 HB2 ARG 47 -16.972 -2.354 4.355 351 HB3 ARG 47 HB3 ARG 47 -15.770 -1.389 5.206 352 HG2 ARG 47 HG2 ARG 47 -14.998 -3.202 6.443 353 HG3 ARG 47 HG3 ARG 47 -16.406 -4.188 6.044 354 HD2 ARG 47 HD2 ARG 47 -14.431 -4.885 4.771 355 HD3 ARG 47 HD3 ARG 47 -15.708 -4.285 3.718 356 HE ARG 47 HE ARG 47 -13.787 -2.269 4.423 357 HH11 ARG 47 HH11 ARG 47 -14.476 -4.914 2.219 358 HH12 ARG 47 HH12 ARG 47 -13.470 -4.297 0.958 359 HH21 ARG 47 HH21 ARG 47 -12.429 -1.466 2.755 360 HH22 ARG 47 HH22 ARG 47 -12.295 -2.335 1.263 361 H THR 48 H THR 48 -17.458 -3.235 8.384 362 HA THR 48 HA THR 48 -19.487 -5.058 7.347 363 HB THR 48 HB THR 48 -17.423 -6.132 8.011 364 HG1 THR 48 HG1 THR 48 -19.766 -6.662 9.454 365 HG21 THR 48 HG21 THR 48 -17.920 -4.929 10.729 366 HG22 THR 48 HG22 THR 48 -16.571 -4.590 9.638 367 HG23 THR 48 HG23 THR 48 -16.721 -6.179 10.391 368 H GLY 49 H GLY 49 -19.388 -2.412 9.336 369 HA2 GLY 49 HA2 GLY 49 -20.993 -1.469 10.684 370 HA3 GLY 49 HA3 GLY 49 -22.069 -2.779 10.212 371 H VAL 50 H VAL 50 -18.975 -3.254 11.716 372 HA VAL 50 HA VAL 50 -20.333 -4.327 14.093 373 HB VAL 50 HB VAL 50 -17.725 -5.215 12.819 374 HG11 VAL 50 HG11 VAL 50 -18.965 -6.463 15.250 375 HG12 VAL 50 HG12 VAL 50 -17.777 -5.170 15.370 376 HG13 VAL 50 HG13 VAL 50 -17.340 -6.686 14.599 377 HG21 VAL 50 HG21 VAL 50 -19.748 -6.046 11.716 378 HG22 VAL 50 HG22 VAL 50 -20.326 -6.675 13.259 379 HG23 VAL 50 HG23 VAL 50 -18.871 -7.346 12.523 380 H ALA 51 H ALA 51 -19.495 -3.877 16.099 381 HA ALA 51 HA ALA 51 -18.353 -1.406 16.611 382 HB1 ALA 51 HB1 ALA 51 -19.544 -2.650 18.304 383 HB2 ALA 51 HB2 ALA 51 -17.901 -2.345 18.879 384 HB3 ALA 51 HB3 ALA 51 -18.346 -3.939 18.254 385 H VAL 52 H VAL 52 -16.333 -0.668 16.700 386 HA VAL 52 HA VAL 52 -14.274 -1.977 15.324 387 HB VAL 52 HB VAL 52 -14.181 0.420 17.161 388 HG11 VAL 52 HG11 VAL 52 -12.029 0.969 16.125 389 HG12 VAL 52 HG12 VAL 52 -12.065 -0.561 15.250 390 HG13 VAL 52 HG13 VAL 52 -11.959 -0.556 17.009 391 HG21 VAL 52 HG21 VAL 52 -14.370 0.152 14.170 392 HG22 VAL 52 HG22 VAL 52 -14.060 1.670 15.009 393 HG23 VAL 52 HG23 VAL 52 -15.581 0.813 15.264 394 H ASN 53 H ASN 53 -14.869 -1.525 18.768 395 HA ASN 53 HA ASN 53 -12.380 -2.697 19.542 396 HB2 ASN 53 HB2 ASN 53 -13.163 -2.520 21.812 397 HB3 ASN 53 HB3 ASN 53 -13.565 -1.042 20.951 398 HD21 ASN 53 HD21 ASN 53 -14.715 -2.074 23.368 399 HD22 ASN 53 HD22 ASN 53 -16.403 -2.303 23.076 400 H SER 54 H SER 54 -15.377 -3.991 18.589 401 HA SER 54 HA SER 54 -14.880 -6.499 19.981 402 HB2 SER 54 HB2 SER 54 -17.028 -7.220 19.184 403 HB3 SER 54 HB3 SER 54 -17.186 -5.626 19.921 404 HG SER 54 HG SER 54 -16.690 -5.216 17.369 405 H LEU 55 H LEU 55 -13.952 -5.098 17.148 406 HA LEU 55 HA LEU 55 -13.884 -7.574 15.594 407 HB2 LEU 55 HB2 LEU 55 -14.281 -4.992 14.836 408 HB3 LEU 55 HB3 LEU 55 -12.543 -5.076 14.670 409 HG LEU 55 HG LEU 55 -13.434 -5.477 12.521 410 HD11 LEU 55 HD11 LEU 55 -12.748 -7.738 11.971 411 HD12 LEU 55 HD12 LEU 55 -12.780 -8.177 13.678 412 HD13 LEU 55 HD13 LEU 55 -11.614 -6.989 13.095 413 HD21 LEU 55 HD21 LEU 55 -15.125 -7.180 12.046 414 HD22 LEU 55 HD22 LEU 55 -15.723 -5.932 13.139 415 HD23 LEU 55 HD23 LEU 55 -15.265 -7.512 13.771 416 H ARG 56 H ARG 56 -11.938 -8.707 15.312 417 HA ARG 56 HA ARG 56 -9.622 -7.524 16.636 418 HB2 ARG 56 HB2 ARG 56 -9.056 -9.806 17.580 419 HB3 ARG 56 HB3 ARG 56 -10.394 -8.965 18.338 420 HG2 ARG 56 HG2 ARG 56 -10.833 -11.054 16.218 421 HG3 ARG 56 HG3 ARG 56 -10.641 -11.472 17.920 422 HD2 ARG 56 HD2 ARG 56 -12.736 -9.622 16.777 423 HD3 ARG 56 HD3 ARG 56 -13.007 -11.286 17.290 424 HE ARG 56 HE ARG 56 -12.558 -8.961 19.003 425 HH11 ARG 56 HH11 ARG 56 -13.111 -12.425 18.770 426 HH12 ARG 56 HH12 ARG 56 -13.534 -12.587 20.436 427 HH21 ARG 56 HH21 ARG 56 -13.107 -9.195 21.192 428 HH22 ARG 56 HH22 ARG 56 -13.527 -10.751 21.822 429 H PHE 57 H PHE 57 -7.893 -7.555 15.528 430 HA PHE 57 HA PHE 57 -7.641 -9.416 13.265 431 HB2 PHE 57 HB2 PHE 57 -6.474 -6.681 13.774 432 HB3 PHE 57 HB3 PHE 57 -5.904 -7.745 12.494 433 HD1 PHE 57 HD1 PHE 57 -9.001 -6.177 13.772 434 HD2 PHE 57 HD2 PHE 57 -6.866 -7.630 10.431 435 HE1 PHE 57 HE1 PHE 57 -10.725 -5.254 12.276 436 HE2 PHE 57 HE2 PHE 57 -8.575 -6.732 8.928 437 HZ PHE 57 HZ PHE 57 -10.505 -5.546 9.846 438 H LEU 58 H LEU 58 -5.982 -10.785 13.249 439 HA LEU 58 HA LEU 58 -3.976 -10.500 15.368 440 HB2 LEU 58 HB2 LEU 58 -5.546 -12.890 14.531 441 HB3 LEU 58 HB3 LEU 58 -3.909 -13.116 15.114 442 HG LEU 58 HG LEU 58 -4.607 -11.883 17.196 443 HD11 LEU 58 HD11 LEU 58 -7.374 -12.408 16.175 444 HD12 LEU 58 HD12 LEU 58 -6.615 -10.822 16.282 445 HD13 LEU 58 HD13 LEU 58 -6.938 -11.747 17.748 446 HD21 LEU 58 HD21 LEU 58 -5.654 -13.812 18.189 447 HD22 LEU 58 HD22 LEU 58 -4.315 -14.265 17.135 448 HD23 LEU 58 HD23 LEU 58 -5.981 -14.471 16.586 449 H PHE 59 H PHE 59 -1.923 -11.044 14.903 450 HA PHE 59 HA PHE 59 -1.373 -11.693 12.100 451 HB2 PHE 59 HB2 PHE 59 -0.611 -9.403 12.660 452 HB3 PHE 59 HB3 PHE 59 0.312 -10.058 14.004 453 HD1 PHE 59 HD1 PHE 59 -0.051 -10.552 10.341 454 HD2 PHE 59 HD2 PHE 59 2.534 -10.504 13.705 455 HE1 PHE 59 HE1 PHE 59 1.872 -10.965 8.856 456 HE2 PHE 59 HE2 PHE 59 4.464 -10.928 12.237 457 HZ PHE 59 HZ PHE 59 4.134 -11.157 9.810 458 H ASP 60 H ASP 60 -0.640 -13.661 11.914 459 HA ASP 60 HA ASP 60 0.368 -15.658 12.315 460 HB2 ASP 60 HB2 ASP 60 2.344 -14.118 12.358 461 HB3 ASP 60 HB3 ASP 60 2.229 -14.092 14.112 462 H GLY 61 H GLY 61 -1.755 -14.718 14.075 463 HA2 GLY 61 HA2 GLY 61 -2.979 -16.030 15.596 464 HA3 GLY 61 HA3 GLY 61 -1.486 -16.822 16.085 465 H ARG 62 H ARG 62 -0.968 -13.522 16.051 466 HA ARG 62 HA ARG 62 -1.862 -13.280 18.850 467 HB2 ARG 62 HB2 ARG 62 0.160 -11.981 19.344 468 HB3 ARG 62 HB3 ARG 62 0.550 -13.590 18.754 469 HG2 ARG 62 HG2 ARG 62 2.102 -12.329 17.652 470 HG3 ARG 62 HG3 ARG 62 0.801 -12.405 16.465 471 HD2 ARG 62 HD2 ARG 62 1.457 -10.158 16.474 472 HD3 ARG 62 HD3 ARG 62 -0.004 -10.199 17.461 473 HE ARG 62 HE ARG 62 2.399 -10.473 19.012 474 HH11 ARG 62 HH11 ARG 62 0.204 -8.194 17.535 475 HH12 ARG 62 HH12 ARG 62 0.683 -6.870 18.544 476 HH21 ARG 62 HH21 ARG 62 3.085 -8.708 20.315 477 HH22 ARG 62 HH22 ARG 62 2.353 -7.149 20.103 478 H ARG 63 H ARG 63 -2.867 -11.567 19.407 479 HA ARG 63 HA ARG 63 -4.167 -10.103 17.391 480 HB2 ARG 63 HB2 ARG 63 -5.278 -8.964 19.248 481 HB3 ARG 63 HB3 ARG 63 -5.287 -10.713 19.415 482 HG2 ARG 63 HG2 ARG 63 -3.195 -10.353 20.881 483 HG3 ARG 63 HG3 ARG 63 -3.756 -8.679 20.972 484 HD2 ARG 63 HD2 ARG 63 -5.953 -9.504 21.730 485 HD3 ARG 63 HD3 ARG 63 -5.286 -11.143 21.681 486 HE ARG 63 HE ARG 63 -3.681 -9.493 23.309 487 HH11 ARG 63 HH11 ARG 63 -6.797 -11.105 23.283 488 HH12 ARG 63 HH12 ARG 63 -6.854 -11.326 24.995 489 HH21 ARG 63 HH21 ARG 63 -3.754 -9.783 25.604 490 HH22 ARG 63 HH22 ARG 63 -5.117 -10.568 26.319 491 H ILE 64 H ILE 64 -4.080 -8.132 16.724 492 HA ILE 64 HA ILE 64 -1.543 -6.729 17.093 493 HB ILE 64 HB ILE 64 -3.861 -6.170 15.218 494 HG12 ILE 64 HG12 ILE 64 -1.192 -7.454 14.624 495 HG13 ILE 64 HG13 ILE 64 -2.675 -8.359 14.904 496 HG21 ILE 64 HG21 ILE 64 -2.458 -4.173 15.678 497 HG22 ILE 64 HG22 ILE 64 -2.317 -4.722 14.007 498 HG23 ILE 64 HG23 ILE 64 -1.039 -5.088 15.161 499 HD11 ILE 64 HD11 ILE 64 -2.158 -6.408 12.681 500 HD12 ILE 64 HD12 ILE 64 -3.688 -7.233 12.977 501 HD13 ILE 64 HD13 ILE 64 -2.255 -8.164 12.550 502 H ASN 65 H ASN 65 -1.348 -5.220 18.553 503 HA ASN 65 HA ASN 65 -3.736 -3.820 19.546 504 HB2 ASN 65 HB2 ASN 65 -0.976 -4.078 20.767 505 HB3 ASN 65 HB3 ASN 65 -2.374 -3.323 21.517 506 HD21 ASN 65 HD21 ASN 65 -0.802 -6.260 20.695 507 HD22 ASN 65 HD22 ASN 65 -1.835 -7.321 21.599 508 H ASP 66 H ASP 66 -3.473 -1.502 20.010 509 HA ASP 66 HA ASP 66 -2.082 -0.134 17.899 510 HB2 ASP 66 HB2 ASP 66 -2.898 1.928 18.931 511 HB3 ASP 66 HB3 ASP 66 -4.202 0.755 18.824 512 H ASP 67 H ASP 67 -1.248 -1.293 20.924 513 HA ASP 67 HA ASP 67 0.798 0.645 21.526 514 HB2 ASP 67 HB2 ASP 67 -0.445 -0.553 23.303 515 HB3 ASP 67 HB3 ASP 67 0.283 -2.063 22.770 516 H ASP 68 H ASP 68 0.524 -2.169 19.614 517 HA ASP 68 HA ASP 68 3.235 -3.009 19.822 518 HB2 ASP 68 HB2 ASP 68 1.110 -3.677 17.794 519 HB3 ASP 68 HB3 ASP 68 2.711 -4.406 17.825 520 H THR 69 H THR 69 4.872 -2.831 18.351 521 HA THR 69 HA THR 69 4.803 -0.386 16.777 522 HB THR 69 HB THR 69 7.317 -0.770 16.735 523 HG1 THR 69 HG1 THR 69 7.738 -2.232 18.759 524 HG21 THR 69 HG21 THR 69 5.983 -0.508 19.433 525 HG22 THR 69 HG22 THR 69 6.271 0.806 18.293 526 HG23 THR 69 HG23 THR 69 7.633 -0.017 19.051 527 HA PRO 70 HA PRO 70 4.805 -2.291 12.789 528 HB2 PRO 70 HB2 PRO 70 7.084 -1.224 11.614 529 HB3 PRO 70 HB3 PRO 70 5.515 -0.419 11.693 530 HG2 PRO 70 HG2 PRO 70 7.907 -0.090 13.455 531 HG3 PRO 70 HG3 PRO 70 6.809 1.147 12.817 532 HD2 PRO 70 HD2 PRO 70 6.612 0.333 15.336 533 HD3 PRO 70 HD3 PRO 70 5.153 0.650 14.377 534 H LYS 71 H LYS 71 7.901 -2.312 14.460 535 HA LYS 71 HA LYS 71 9.144 -4.325 12.928 536 HB2 LYS 71 HB2 LYS 71 10.629 -4.459 14.886 537 HB3 LYS 71 HB3 LYS 71 10.412 -2.835 14.235 538 HG2 LYS 71 HG2 LYS 71 8.873 -2.268 15.958 539 HG3 LYS 71 HG3 LYS 71 8.850 -3.930 16.535 540 HD2 LYS 71 HD2 LYS 71 11.254 -2.243 16.429 541 HD3 LYS 71 HD3 LYS 71 10.160 -2.375 17.823 542 HE2 LYS 71 HE2 LYS 71 10.486 -4.790 17.843 543 HE3 LYS 71 HE3 LYS 71 11.615 -4.655 16.507 544 HZ1 LYS 71 HZ1 LYS 71 12.790 -4.817 18.613 545 HZ2 LYS 71 HZ2 LYS 71 11.998 -3.449 19.198 546 HZ3 LYS 71 HZ3 LYS 71 13.073 -3.312 17.900 547 H THR 72 H THR 72 7.321 -4.420 15.988 548 HA THR 72 HA THR 72 7.786 -7.216 16.346 549 HB THR 72 HB THR 72 7.424 -5.656 18.289 550 HG1 THR 72 HG1 THR 72 6.471 -8.143 17.934 551 HG21 THR 72 HG21 THR 72 5.571 -4.351 17.391 552 HG22 THR 72 HG22 THR 72 5.113 -5.110 18.916 553 HG23 THR 72 HG23 THR 72 4.547 -5.786 17.390 554 H LEU 73 H LEU 73 5.379 -5.214 14.928 555 HA LEU 73 HA LEU 73 3.494 -7.333 14.549 556 HB2 LEU 73 HB2 LEU 73 3.706 -4.653 13.184 557 HB3 LEU 73 HB3 LEU 73 2.395 -5.801 12.968 558 HG LEU 73 HG LEU 73 3.093 -4.493 15.595 559 HD11 LEU 73 HD11 LEU 73 0.853 -3.882 13.673 560 HD12 LEU 73 HD12 LEU 73 2.252 -2.857 13.989 561 HD13 LEU 73 HD13 LEU 73 1.078 -3.164 15.268 562 HD21 LEU 73 HD21 LEU 73 0.898 -5.385 16.286 563 HD22 LEU 73 HD22 LEU 73 2.052 -6.654 15.887 564 HD23 LEU 73 HD23 LEU 73 0.780 -6.230 14.742 565 H GLU 74 H GLU 74 6.355 -6.234 13.001 566 HA GLU 74 HA GLU 74 7.531 -6.984 11.213 567 HB2 GLU 74 HB2 GLU 74 6.032 -9.284 12.263 568 HB3 GLU 74 HB3 GLU 74 7.009 -9.529 10.806 569 HG2 GLU 74 HG2 GLU 74 8.029 -8.350 13.354 570 HG3 GLU 74 HG3 GLU 74 8.072 -10.084 13.022 571 H MET 75 H MET 75 5.076 -5.662 10.514 572 HA MET 75 HA MET 75 3.954 -7.175 8.293 573 HB2 MET 75 HB2 MET 75 3.306 -4.372 9.207 574 HB3 MET 75 HB3 MET 75 2.415 -5.309 8.012 575 HG2 MET 75 HG2 MET 75 1.914 -6.972 9.773 576 HG3 MET 75 HG3 MET 75 2.695 -5.916 10.941 577 HE1 MET 75 HE1 MET 75 1.792 -3.584 11.698 578 HE2 MET 75 HE2 MET 75 0.368 -2.798 11.015 579 HE3 MET 75 HE3 MET 75 1.818 -3.004 10.032 580 H GLU 76 H GLU 76 3.849 -6.373 6.127 581 HA GLU 76 HA GLU 76 5.509 -4.174 5.360 582 HB2 GLU 76 HB2 GLU 76 6.893 -5.446 3.789 583 HB3 GLU 76 HB3 GLU 76 7.183 -5.956 5.441 584 HG2 GLU 76 HG2 GLU 76 5.840 -7.940 5.089 585 HG3 GLU 76 HG3 GLU 76 5.466 -7.411 3.447 586 H ASP 77 H ASP 77 5.532 -4.484 2.663 587 HA ASP 77 HA ASP 77 2.848 -3.889 2.108 588 HB2 ASP 77 HB2 ASP 77 3.494 -3.417 -0.118 589 HB3 ASP 77 HB3 ASP 77 4.855 -2.951 0.892 590 H ASP 78 H ASP 78 1.248 -5.038 1.678 591 HA ASP 78 HA ASP 78 -0.196 -6.605 1.000 592 HB2 ASP 78 HB2 ASP 78 1.099 -6.444 -1.168 593 HB3 ASP 78 HB3 ASP 78 2.013 -7.849 -0.634 594 H ASP 79 H ASP 79 1.370 -6.953 3.409 595 HA ASP 79 HA ASP 79 1.982 -9.764 3.559 596 HB2 ASP 79 HB2 ASP 79 2.879 -7.719 5.052 597 HB3 ASP 79 HB3 ASP 79 1.533 -8.243 6.064 598 H VAL 80 H VAL 80 0.903 -10.805 5.676 599 HA VAL 80 HA VAL 80 -1.944 -10.772 4.972 600 HB VAL 80 HB VAL 80 -2.001 -13.127 5.736 601 HG11 VAL 80 HG11 VAL 80 -1.718 -12.653 3.383 602 HG12 VAL 80 HG12 VAL 80 -0.724 -14.046 3.819 603 HG13 VAL 80 HG13 VAL 80 0.020 -12.459 3.603 604 HG21 VAL 80 HG21 VAL 80 -0.162 -13.113 7.299 605 HG22 VAL 80 HG22 VAL 80 0.974 -12.726 6.010 606 HG23 VAL 80 HG23 VAL 80 0.171 -14.300 6.034 607 H ILE 81 H ILE 81 -3.460 -10.840 6.503 608 HA ILE 81 HA ILE 81 -2.696 -10.773 9.305 609 HB ILE 81 HB ILE 81 -3.798 -8.545 7.755 610 HG12 ILE 81 HG12 ILE 81 -2.424 -8.783 10.430 611 HG13 ILE 81 HG13 ILE 81 -1.685 -8.370 8.890 612 HG21 ILE 81 HG21 ILE 81 -5.133 -9.258 10.345 613 HG22 ILE 81 HG22 ILE 81 -5.869 -9.033 8.747 614 HG23 ILE 81 HG23 ILE 81 -5.169 -7.657 9.598 615 HD11 ILE 81 HD11 ILE 81 -3.007 -6.296 8.855 616 HD12 ILE 81 HD12 ILE 81 -1.939 -6.402 10.247 617 HD13 ILE 81 HD13 ILE 81 -3.665 -6.713 10.432 618 H GLU 82 H GLU 82 -4.222 -11.600 10.703 619 HA GLU 82 HA GLU 82 -6.312 -13.182 9.369 620 HB2 GLU 82 HB2 GLU 82 -5.062 -13.504 12.094 621 HB3 GLU 82 HB3 GLU 82 -6.190 -14.616 11.333 622 HG2 GLU 82 HG2 GLU 82 -4.593 -15.179 9.641 623 HG3 GLU 82 HG3 GLU 82 -3.478 -13.943 10.221 624 H VAL 83 H VAL 83 -8.412 -13.189 10.119 625 HA VAL 83 HA VAL 83 -9.077 -11.290 12.267 626 HB VAL 83 HB VAL 83 -10.642 -11.709 9.714 627 HG11 VAL 83 HG11 VAL 83 -11.308 -9.982 12.100 628 HG12 VAL 83 HG12 VAL 83 -12.136 -11.472 11.655 629 HG13 VAL 83 HG13 VAL 83 -12.221 -10.066 10.594 630 HG21 VAL 83 HG21 VAL 83 -9.336 -9.269 10.854 631 HG22 VAL 83 HG22 VAL 83 -10.204 -9.389 9.318 632 HG23 VAL 83 HG23 VAL 83 -8.685 -10.259 9.545 633 H TYR 84 H TYR 84 -10.340 -12.007 13.801 634 HA TYR 84 HA TYR 84 -11.522 -14.653 13.471 635 HB2 TYR 84 HB2 TYR 84 -10.438 -13.255 15.901 636 HB3 TYR 84 HB3 TYR 84 -11.461 -14.683 16.008 637 HD1 TYR 84 HD1 TYR 84 -8.206 -13.412 14.872 638 HD2 TYR 84 HD2 TYR 84 -10.635 -16.854 15.411 639 HE1 TYR 84 HE1 TYR 84 -6.250 -14.836 14.477 640 HE2 TYR 84 HE2 TYR 84 -8.689 -18.298 15.013 641 HH TYR 84 HH TYR 84 -6.508 -18.103 13.793 642 H GLN 85 H GLN 85 -13.482 -14.950 15.034 643 HA GLN 85 HA GLN 85 -15.411 -13.213 13.902 644 HB2 GLN 85 HB2 GLN 85 -15.646 -15.428 15.924 645 HB3 GLN 85 HB3 GLN 85 -17.032 -14.526 15.323 646 HG2 GLN 85 HG2 GLN 85 -16.623 -15.268 13.083 647 HG3 GLN 85 HG3 GLN 85 -15.111 -16.029 13.566 648 HE21 GLN 85 HE21 GLN 85 -17.454 -17.159 12.277 649 HE22 GLN 85 HE22 GLN 85 -17.988 -18.450 13.292 650 H GLU 86 H GLU 86 -16.745 -11.785 14.780 651 HA GLU 86 HA GLU 86 -15.632 -10.390 17.096 652 HB2 GLU 86 HB2 GLU 86 -16.735 -8.391 16.091 653 HB3 GLU 86 HB3 GLU 86 -15.473 -9.108 15.104 654 HG2 GLU 86 HG2 GLU 86 -18.409 -9.610 14.700 655 HG3 GLU 86 HG3 GLU 86 -17.512 -8.358 13.856 656 H GLN 87 H GLN 87 -17.232 -8.953 18.269 657 HA GLN 87 HA GLN 87 -19.147 -10.590 19.548 658 HB2 GLN 87 HB2 GLN 87 -17.987 -8.761 20.686 659 HB3 GLN 87 HB3 GLN 87 -18.790 -7.602 19.637 660 HG2 GLN 87 HG2 GLN 87 -20.921 -8.152 20.569 661 HG3 GLN 87 HG3 GLN 87 -20.195 -9.409 21.576 662 HE21 GLN 87 HE21 GLN 87 -20.866 -8.470 23.464 663 HE22 GLN 87 HE22 GLN 87 -20.190 -7.012 24.092 664 H LEU 88 H LEU 88 -19.514 -7.868 17.313 665 HA LEU 88 HA LEU 88 -22.370 -8.288 17.311 666 HB2 LEU 88 HB2 LEU 88 -20.676 -6.141 16.078 667 HB3 LEU 88 HB3 LEU 88 -22.426 -6.210 15.905 668 HG LEU 88 HG LEU 88 -20.875 -5.866 18.474 669 HD11 LEU 88 HD11 LEU 88 -22.597 -3.954 16.918 670 HD12 LEU 88 HD12 LEU 88 -20.844 -3.885 17.083 671 HD13 LEU 88 HD13 LEU 88 -21.871 -3.638 18.493 672 HD21 LEU 88 HD21 LEU 88 -23.087 -5.477 19.495 673 HD22 LEU 88 HD22 LEU 88 -22.895 -7.125 18.901 674 HD23 LEU 88 HD23 LEU 88 -23.849 -5.963 17.981 675 H GLY 89 H GLY 89 -19.872 -9.558 15.675 676 HA2 GLY 89 HA2 GLY 89 -21.458 -9.920 13.228 677 HA3 GLY 89 HA3 GLY 89 -19.726 -10.204 13.357 678 H GLY 90 H GLY 90 -19.062 -12.223 13.664 679 HA2 GLY 90 HA2 GLY 90 -19.126 -14.379 14.596 680 HA3 GLY 90 HA3 GLY 90 -20.809 -14.120 15.035 Start of MODEL 9 1 H MET 1 H MET 1 -0.006 -4.560 -10.463 2 HA MET 1 HA MET 1 0.083 -2.143 -10.296 3 HB2 MET 1 HB2 MET 1 -0.675 -3.094 -13.071 4 HB3 MET 1 HB3 MET 1 0.252 -1.655 -12.692 5 HG2 MET 1 HG2 MET 1 2.010 -3.112 -11.725 6 HG3 MET 1 HG3 MET 1 1.094 -4.510 -12.281 7 HE1 MET 1 HE1 MET 1 -0.053 -3.606 -15.070 8 HE2 MET 1 HE2 MET 1 0.743 -5.157 -14.814 9 HE3 MET 1 HE3 MET 1 1.225 -4.133 -16.164 10 H ALA 2 H ALA 2 -1.364 -0.776 -9.444 11 HA ALA 2 HA ALA 2 -4.092 -0.818 -10.343 12 HB1 ALA 2 HB1 ALA 2 -2.764 1.006 -8.345 13 HB2 ALA 2 HB2 ALA 2 -3.562 -0.519 -7.967 14 HB3 ALA 2 HB3 ALA 2 -4.498 0.830 -8.608 15 H ASP 3 H ASP 3 -4.229 -0.084 -12.387 16 HA ASP 3 HA ASP 3 -3.052 2.486 -13.107 17 HB2 ASP 3 HB2 ASP 3 -3.857 2.018 -15.360 18 HB3 ASP 3 HB3 ASP 3 -3.020 0.601 -14.737 19 H ASP 4 H ASP 4 -5.510 1.605 -11.366 20 HA ASP 4 HA ASP 4 -7.812 2.852 -12.338 21 HB2 ASP 4 HB2 ASP 4 -6.875 2.315 -9.517 22 HB3 ASP 4 HB3 ASP 4 -8.491 2.888 -9.919 23 H ALA 5 H ALA 5 -5.079 4.035 -10.510 24 HA ALA 5 HA ALA 5 -4.237 6.094 -10.164 25 HB1 ALA 5 HB1 ALA 5 -6.412 7.140 -11.973 26 HB2 ALA 5 HB2 ALA 5 -4.846 6.543 -12.517 27 HB3 ALA 5 HB3 ALA 5 -4.934 7.979 -11.500 28 H ALA 6 H ALA 6 -6.593 4.915 -8.676 29 HA ALA 6 HA ALA 6 -8.073 7.060 -7.582 30 HB1 ALA 6 HB1 ALA 6 -8.609 5.503 -5.760 31 HB2 ALA 6 HB2 ALA 6 -7.358 4.399 -6.333 32 HB3 ALA 6 HB3 ALA 6 -8.775 4.721 -7.331 33 H GLN 7 H GLN 7 -7.658 8.371 -5.838 34 HA GLN 7 HA GLN 7 -6.505 9.615 -4.393 35 HB2 GLN 7 HB2 GLN 7 -4.908 7.096 -4.161 36 HB3 GLN 7 HB3 GLN 7 -4.589 8.530 -3.197 37 HG2 GLN 7 HG2 GLN 7 -6.751 8.378 -2.162 38 HG3 GLN 7 HG3 GLN 7 -7.205 7.051 -3.231 39 HE21 GLN 7 HE21 GLN 7 -7.098 7.181 -0.319 40 HE22 GLN 7 HE22 GLN 7 -6.034 5.916 0.177 41 H ALA 8 H ALA 8 -5.244 11.288 -4.885 42 HA ALA 8 HA ALA 8 -3.751 11.357 -7.270 43 HB1 ALA 8 HB1 ALA 8 -3.032 13.579 -6.567 44 HB2 ALA 8 HB2 ALA 8 -3.607 13.261 -4.931 45 HB3 ALA 8 HB3 ALA 8 -4.754 13.358 -6.266 46 H GLY 9 H GLY 9 -2.799 11.020 -3.918 47 HA2 GLY 9 HA2 GLY 9 -0.589 9.395 -4.495 48 HA3 GLY 9 HA3 GLY 9 -0.025 11.043 -4.221 49 H ASP 10 H ASP 10 -2.818 9.683 -2.736 50 HA ASP 10 HA ASP 10 -2.130 10.531 -0.144 51 HB2 ASP 10 HB2 ASP 10 -4.243 8.644 -1.148 52 HB3 ASP 10 HB3 ASP 10 -4.088 9.102 0.543 53 H ASN 11 H ASN 11 -1.846 7.386 -1.718 54 HA ASN 11 HA ASN 11 -0.620 6.415 0.734 55 HB2 ASN 11 HB2 ASN 11 -2.667 4.990 -0.959 56 HB3 ASN 11 HB3 ASN 11 -1.624 4.151 0.184 57 HD21 ASN 11 HD21 ASN 11 -4.482 4.294 0.263 58 HD22 ASN 11 HD22 ASN 11 -4.901 5.082 1.748 59 H ALA 12 H ALA 12 1.319 6.001 0.394 60 HA ALA 12 HA ALA 12 2.129 4.522 -1.982 61 HB1 ALA 12 HB1 ALA 12 4.055 5.946 -2.306 62 HB2 ALA 12 HB2 ALA 12 3.620 6.905 -0.889 63 HB3 ALA 12 HB3 ALA 12 2.587 6.934 -2.320 64 H GLU 13 H GLU 13 3.975 3.207 -1.611 65 HA GLU 13 HA GLU 13 5.143 1.687 -0.419 66 HB2 GLU 13 HB2 GLU 13 5.199 3.889 1.635 67 HB3 GLU 13 HB3 GLU 13 6.202 2.445 1.692 68 HG2 GLU 13 HG2 GLU 13 7.321 3.144 -0.354 69 HG3 GLU 13 HG3 GLU 13 6.284 4.571 -0.438 70 H TYR 14 H TYR 14 2.493 1.444 -0.423 71 HA TYR 14 HA TYR 14 1.790 0.579 2.295 72 HB2 TYR 14 HB2 TYR 14 0.100 1.680 0.090 73 HB3 TYR 14 HB3 TYR 14 -0.599 0.514 1.191 74 HD1 TYR 14 HD1 TYR 14 1.810 3.288 1.908 75 HD2 TYR 14 HD2 TYR 14 -2.088 1.694 2.501 76 HE1 TYR 14 HE1 TYR 14 1.330 5.060 3.550 77 HE2 TYR 14 HE2 TYR 14 -2.571 3.452 4.140 78 HH TYR 14 HH TYR 14 -0.805 6.210 4.475 79 H ILE 15 H ILE 15 0.298 -1.267 2.357 80 HA ILE 15 HA ILE 15 1.032 -3.310 0.367 81 HB ILE 15 HB ILE 15 1.372 -4.916 2.119 82 HG12 ILE 15 HG12 ILE 15 0.491 -2.752 4.022 83 HG13 ILE 15 HG13 ILE 15 -0.409 -4.199 3.552 84 HG21 ILE 15 HG21 ILE 15 3.290 -3.540 1.648 85 HG22 ILE 15 HG22 ILE 15 3.248 -4.004 3.349 86 HG23 ILE 15 HG23 ILE 15 2.766 -2.378 2.865 87 HD11 ILE 15 HD11 ILE 15 0.607 -4.390 5.763 88 HD12 ILE 15 HD12 ILE 15 2.202 -4.199 5.031 89 HD13 ILE 15 HD13 ILE 15 1.205 -5.603 4.627 90 H LYS 16 H LYS 16 -0.498 -5.093 0.393 91 HA LYS 16 HA LYS 16 -3.185 -4.197 1.096 92 HB2 LYS 16 HB2 LYS 16 -2.228 -6.476 -0.573 93 HB3 LYS 16 HB3 LYS 16 -3.924 -6.122 -0.277 94 HG2 LYS 16 HG2 LYS 16 -3.526 -3.892 -1.341 95 HG3 LYS 16 HG3 LYS 16 -1.926 -4.489 -1.801 96 HD2 LYS 16 HD2 LYS 16 -4.542 -5.792 -2.565 97 HD3 LYS 16 HD3 LYS 16 -3.586 -4.750 -3.621 98 HE2 LYS 16 HE2 LYS 16 -1.703 -6.321 -3.433 99 HE3 LYS 16 HE3 LYS 16 -2.696 -7.346 -2.401 100 HZ1 LYS 16 HZ1 LYS 16 -2.687 -8.176 -4.641 101 HZ2 LYS 16 HZ2 LYS 16 -3.234 -6.697 -5.238 102 HZ3 LYS 16 HZ3 LYS 16 -4.237 -7.626 -4.250 103 H ILE 17 H ILE 17 -4.503 -5.381 2.356 104 HA ILE 17 HA ILE 17 -3.414 -7.817 3.548 105 HB ILE 17 HB ILE 17 -4.724 -5.553 5.030 106 HG12 ILE 17 HG12 ILE 17 -2.183 -7.104 5.555 107 HG13 ILE 17 HG13 ILE 17 -2.275 -5.505 4.822 108 HG21 ILE 17 HG21 ILE 17 -5.921 -7.490 5.731 109 HG22 ILE 17 HG22 ILE 17 -4.792 -7.048 7.014 110 HG23 ILE 17 HG23 ILE 17 -4.428 -8.401 5.939 111 HD11 ILE 17 HD11 ILE 17 -3.312 -4.675 6.912 112 HD12 ILE 17 HD12 ILE 17 -1.667 -5.273 7.117 113 HD13 ILE 17 HD13 ILE 17 -3.035 -6.261 7.630 114 H LYS 18 H LYS 18 -4.708 -9.500 3.426 115 HA LYS 18 HA LYS 18 -7.462 -8.983 2.596 116 HB2 LYS 18 HB2 LYS 18 -6.419 -11.759 2.938 117 HB3 LYS 18 HB3 LYS 18 -7.547 -11.131 1.765 118 HG2 LYS 18 HG2 LYS 18 -5.584 -9.988 0.598 119 HG3 LYS 18 HG3 LYS 18 -4.552 -10.887 1.703 120 HD2 LYS 18 HD2 LYS 18 -6.552 -12.159 -0.155 121 HD3 LYS 18 HD3 LYS 18 -4.828 -11.996 -0.487 122 HE2 LYS 18 HE2 LYS 18 -4.336 -13.317 1.525 123 HE3 LYS 18 HE3 LYS 18 -6.065 -13.506 1.814 124 HZ1 LYS 18 HZ1 LYS 18 -4.571 -14.500 -0.550 125 HZ2 LYS 18 HZ2 LYS 18 -6.238 -14.661 -0.311 126 HZ3 LYS 18 HZ3 LYS 18 -5.160 -15.444 0.722 127 H VAL 19 H VAL 19 -8.649 -8.536 4.316 128 HA VAL 19 HA VAL 19 -8.188 -9.771 6.873 129 HB VAL 19 HB VAL 19 -10.385 -7.927 5.895 130 HG11 VAL 19 HG11 VAL 19 -11.094 -9.336 7.779 131 HG12 VAL 19 HG12 VAL 19 -11.007 -7.627 8.198 132 HG13 VAL 19 HG13 VAL 19 -9.728 -8.729 8.717 133 HG21 VAL 19 HG21 VAL 19 -7.944 -7.351 7.576 134 HG22 VAL 19 HG22 VAL 19 -9.223 -6.196 7.194 135 HG23 VAL 19 HG23 VAL 19 -8.205 -6.843 5.906 136 H VAL 20 H VAL 20 -8.848 -11.840 7.100 137 HA VAL 20 HA VAL 20 -11.484 -12.445 6.003 138 HB VAL 20 HB VAL 20 -9.900 -13.658 4.682 139 HG11 VAL 20 HG11 VAL 20 -8.368 -15.306 5.630 140 HG12 VAL 20 HG12 VAL 20 -8.812 -14.766 7.252 141 HG13 VAL 20 HG13 VAL 20 -7.999 -13.660 6.142 142 HG21 VAL 20 HG21 VAL 20 -11.275 -15.467 6.665 143 HG22 VAL 20 HG22 VAL 20 -10.625 -15.982 5.111 144 HG23 VAL 20 HG23 VAL 20 -11.958 -14.828 5.169 145 H GLY 21 H GLY 21 -12.929 -12.909 7.337 146 HA2 GLY 21 HA2 GLY 21 -12.190 -13.402 10.121 147 HA3 GLY 21 HA3 GLY 21 -13.793 -12.989 9.529 148 H GLN 22 H GLN 22 -13.585 -14.933 11.344 149 HA GLN 22 HA GLN 22 -13.249 -17.526 10.269 150 HB2 GLN 22 HB2 GLN 22 -14.315 -18.303 12.299 151 HB3 GLN 22 HB3 GLN 22 -13.066 -17.103 12.613 152 HG2 GLN 22 HG2 GLN 22 -14.758 -15.413 12.934 153 HG3 GLN 22 HG3 GLN 22 -16.014 -16.604 12.596 154 HE21 GLN 22 HE21 GLN 22 -16.494 -18.147 14.126 155 HE22 GLN 22 HE22 GLN 22 -15.954 -18.038 15.766 156 H ASP 23 H ASP 23 -15.722 -15.330 10.360 157 HA ASP 23 HA ASP 23 -17.917 -17.000 9.636 158 HB2 ASP 23 HB2 ASP 23 -18.124 -14.680 10.557 159 HB3 ASP 23 HB3 ASP 23 -17.520 -14.057 9.030 160 H SER 24 H SER 24 -15.146 -16.736 8.085 161 HA SER 24 HA SER 24 -14.364 -17.165 6.003 162 HB2 SER 24 HB2 SER 24 -17.265 -17.747 5.344 163 HB3 SER 24 HB3 SER 24 -15.888 -18.155 4.322 164 HG SER 24 HG SER 24 -16.542 -19.189 6.883 165 H ASN 25 H ASN 25 -15.170 -14.556 6.839 166 HA ASN 25 HA ASN 25 -15.995 -13.326 4.295 167 HB2 ASN 25 HB2 ASN 25 -17.377 -12.763 6.226 168 HB3 ASN 25 HB3 ASN 25 -15.972 -12.099 7.055 169 HD21 ASN 25 HD21 ASN 25 -16.872 -10.067 7.204 170 HD22 ASN 25 HD22 ASN 25 -17.064 -9.022 5.846 171 H GLU 26 H GLU 26 -14.299 -12.924 3.118 172 HA GLU 26 HA GLU 26 -11.967 -11.648 4.345 173 HB2 GLU 26 HB2 GLU 26 -11.384 -13.715 3.229 174 HB3 GLU 26 HB3 GLU 26 -12.160 -13.187 1.751 175 HG2 GLU 26 HG2 GLU 26 -10.488 -11.348 1.615 176 HG3 GLU 26 HG3 GLU 26 -9.698 -12.026 3.034 177 H VAL 27 H VAL 27 -11.379 -9.692 3.821 178 HA VAL 27 HA VAL 27 -12.501 -8.387 1.457 179 HB VAL 27 HB VAL 27 -13.949 -7.706 3.322 180 HG11 VAL 27 HG11 VAL 27 -11.429 -6.686 4.600 181 HG12 VAL 27 HG12 VAL 27 -12.391 -8.061 5.148 182 HG13 VAL 27 HG13 VAL 27 -13.068 -6.432 5.201 183 HG21 VAL 27 HG21 VAL 27 -13.524 -6.077 1.572 184 HG22 VAL 27 HG22 VAL 27 -12.083 -5.519 2.419 185 HG23 VAL 27 HG23 VAL 27 -13.678 -5.266 3.133 186 H HIS 28 H HIS 28 -11.215 -6.845 0.547 187 HA HIS 28 HA HIS 28 -8.434 -7.097 1.398 188 HB2 HIS 28 HB2 HIS 28 -9.643 -6.306 -1.244 189 HB3 HIS 28 HB3 HIS 28 -7.913 -6.363 -0.923 190 HD2 HIS 28 HD2 HIS 28 -8.465 -9.354 0.796 191 HE1 HIS 28 HE1 HIS 28 -9.139 -10.654 -3.175 192 HE2 HIS 28 HE2 HIS 28 -8.874 -11.362 -0.766 193 H PHE 29 H PHE 29 -7.660 -5.547 2.529 194 HA PHE 29 HA PHE 29 -8.413 -2.752 1.957 195 HB2 PHE 29 HB2 PHE 29 -7.548 -4.084 4.507 196 HB3 PHE 29 HB3 PHE 29 -7.413 -2.352 4.287 197 HD1 PHE 29 HD1 PHE 29 -9.601 -5.100 5.097 198 HD2 PHE 29 HD2 PHE 29 -9.472 -1.017 3.899 199 HE1 PHE 29 HE1 PHE 29 -11.897 -4.799 5.864 200 HE2 PHE 29 HE2 PHE 29 -11.781 -0.719 4.673 201 HZ PHE 29 HZ PHE 29 -12.991 -2.612 5.662 202 H ARG 30 H ARG 30 -6.761 -1.204 1.864 203 HA ARG 30 HA ARG 30 -4.069 -2.339 1.720 204 HB2 ARG 30 HB2 ARG 30 -4.731 -1.382 -0.423 205 HB3 ARG 30 HB3 ARG 30 -5.112 0.151 0.356 206 HG2 ARG 30 HG2 ARG 30 -2.832 0.541 0.890 207 HG3 ARG 30 HG3 ARG 30 -2.377 -1.088 0.401 208 HD2 ARG 30 HD2 ARG 30 -1.723 0.492 -1.280 209 HD3 ARG 30 HD3 ARG 30 -3.003 -0.548 -1.897 210 HE ARG 30 HE ARG 30 -4.201 1.747 -0.866 211 HH11 ARG 30 HH11 ARG 30 -1.990 0.907 -3.459 212 HH12 ARG 30 HH12 ARG 30 -2.548 2.154 -4.521 213 HH21 ARG 30 HH21 ARG 30 -4.951 3.413 -2.277 214 HH22 ARG 30 HH22 ARG 30 -4.247 3.581 -3.846 215 H VAL 31 H VAL 31 -2.679 -1.765 3.148 216 HA VAL 31 HA VAL 31 -3.081 0.655 4.765 217 HB VAL 31 HB VAL 31 -2.596 -0.525 6.822 218 HG11 VAL 31 HG11 VAL 31 -4.896 -1.794 5.343 219 HG12 VAL 31 HG12 VAL 31 -4.937 -0.280 6.248 220 HG13 VAL 31 HG13 VAL 31 -4.674 -1.807 7.093 221 HG21 VAL 31 HG21 VAL 31 -2.689 -3.068 5.217 222 HG22 VAL 31 HG22 VAL 31 -2.446 -2.924 6.961 223 HG23 VAL 31 HG23 VAL 31 -1.228 -2.309 5.848 224 H LYS 32 H LYS 32 -1.052 0.818 6.241 225 HA LYS 32 HA LYS 32 1.211 0.641 4.434 226 HB2 LYS 32 HB2 LYS 32 0.538 2.698 5.840 227 HB3 LYS 32 HB3 LYS 32 1.210 1.820 7.194 228 HG2 LYS 32 HG2 LYS 32 3.379 1.791 6.225 229 HG3 LYS 32 HG3 LYS 32 2.769 2.411 4.699 230 HD2 LYS 32 HD2 LYS 32 3.832 4.197 5.844 231 HD3 LYS 32 HD3 LYS 32 2.094 4.496 5.873 232 HE2 LYS 32 HE2 LYS 32 2.873 5.031 8.042 233 HE3 LYS 32 HE3 LYS 32 2.119 3.449 8.199 234 HZ1 LYS 32 HZ1 LYS 32 4.231 3.552 9.367 235 HZ2 LYS 32 HZ2 LYS 32 5.028 3.969 7.943 236 HZ3 LYS 32 HZ3 LYS 32 4.333 2.443 8.094 237 H TYR 33 H TYR 33 3.221 -0.309 5.117 238 HA TYR 33 HA TYR 33 3.198 -2.795 6.286 239 HB2 TYR 33 HB2 TYR 33 5.372 -0.706 6.298 240 HB3 TYR 33 HB3 TYR 33 5.640 -2.361 6.823 241 HD1 TYR 33 HD1 TYR 33 5.032 -0.152 3.954 242 HD2 TYR 33 HD2 TYR 33 5.834 -4.138 5.199 243 HE1 TYR 33 HE1 TYR 33 5.612 -0.749 1.642 244 HE2 TYR 33 HE2 TYR 33 6.410 -4.748 2.893 245 HH TYR 33 HH TYR 33 6.033 -4.017 0.646 246 H GLY 34 H GLY 34 3.654 0.348 7.834 247 HA2 GLY 34 HA2 GLY 34 3.821 -0.928 10.466 248 HA3 GLY 34 HA3 GLY 34 4.289 0.722 10.094 249 H THR 35 H THR 35 1.263 -0.541 8.913 250 HA THR 35 HA THR 35 -0.171 1.488 10.167 251 HB THR 35 HB THR 35 -0.772 -0.822 8.454 252 HG1 THR 35 HG1 THR 35 -0.920 1.903 8.395 253 HG21 THR 35 HG21 THR 35 -2.405 -1.247 10.147 254 HG22 THR 35 HG22 THR 35 -3.228 -0.525 8.757 255 HG23 THR 35 HG23 THR 35 -2.869 0.450 10.188 256 H SER 36 H SER 36 -1.416 1.534 11.962 257 HA SER 36 HA SER 36 -0.866 -0.446 14.006 258 HB2 SER 36 HB2 SER 36 -2.421 2.146 14.066 259 HB3 SER 36 HB3 SER 36 -1.997 1.185 15.480 260 HG SER 36 HG SER 36 0.267 1.508 14.327 261 H MET 37 H MET 37 -2.556 -1.551 15.208 262 HA MET 37 HA MET 37 -4.522 -2.810 13.755 263 HB2 MET 37 HB2 MET 37 -5.562 -3.507 15.791 264 HB3 MET 37 HB3 MET 37 -3.834 -3.422 16.077 265 HG2 MET 37 HG2 MET 37 -4.089 -1.324 17.255 266 HG3 MET 37 HG3 MET 37 -5.811 -1.296 16.886 267 HE1 MET 37 HE1 MET 37 -4.554 -0.972 19.843 268 HE2 MET 37 HE2 MET 37 -5.657 -1.972 20.787 269 HE3 MET 37 HE3 MET 37 -6.289 -0.907 19.533 270 H ALA 38 H ALA 38 -4.787 0.341 15.221 271 HA ALA 38 HA ALA 38 -7.569 0.587 15.275 272 HB1 ALA 38 HB1 ALA 38 -5.503 2.756 14.971 273 HB2 ALA 38 HB2 ALA 38 -6.098 2.091 16.496 274 HB3 ALA 38 HB3 ALA 38 -7.187 2.986 15.434 275 H LYS 39 H LYS 39 -5.272 1.175 12.678 276 HA LYS 39 HA LYS 39 -6.973 2.720 11.047 277 HB2 LYS 39 HB2 LYS 39 -4.711 0.898 10.193 278 HB3 LYS 39 HB3 LYS 39 -5.451 2.148 9.218 279 HG2 LYS 39 HG2 LYS 39 -3.962 2.647 11.787 280 HG3 LYS 39 HG3 LYS 39 -3.320 2.899 10.164 281 HD2 LYS 39 HD2 LYS 39 -5.106 4.529 9.736 282 HD3 LYS 39 HD3 LYS 39 -5.702 4.282 11.379 283 HE2 LYS 39 HE2 LYS 39 -3.567 5.089 12.263 284 HE3 LYS 39 HE3 LYS 39 -2.992 5.356 10.618 285 HZ1 LYS 39 HZ1 LYS 39 -3.810 7.400 11.618 286 HZ2 LYS 39 HZ2 LYS 39 -5.333 6.710 11.859 287 HZ3 LYS 39 HZ3 LYS 39 -4.759 6.963 10.294 288 H LEU 40 H LEU 40 -6.502 -0.734 11.342 289 HA LEU 40 HA LEU 40 -8.304 -1.235 9.134 290 HB2 LEU 40 HB2 LEU 40 -7.886 -3.675 9.758 291 HB3 LEU 40 HB3 LEU 40 -6.577 -2.760 9.056 292 HG LEU 40 HG LEU 40 -6.711 -2.969 12.046 293 HD11 LEU 40 HD11 LEU 40 -5.682 -5.127 10.196 294 HD12 LEU 40 HD12 LEU 40 -7.081 -5.260 11.263 295 HD13 LEU 40 HD13 LEU 40 -5.465 -5.073 11.945 296 HD21 LEU 40 HD21 LEU 40 -4.279 -2.932 11.773 297 HD22 LEU 40 HD22 LEU 40 -5.021 -1.564 10.943 298 HD23 LEU 40 HD23 LEU 40 -4.469 -2.958 10.022 299 H LYS 41 H LYS 41 -8.244 -1.778 12.630 300 HA LYS 41 HA LYS 41 -10.678 -3.169 12.796 301 HB2 LYS 41 HB2 LYS 41 -9.179 -1.486 14.768 302 HB3 LYS 41 HB3 LYS 41 -10.623 -2.395 15.181 303 HG2 LYS 41 HG2 LYS 41 -9.560 -4.449 14.805 304 HG3 LYS 41 HG3 LYS 41 -8.189 -3.677 14.000 305 HD2 LYS 41 HD2 LYS 41 -7.571 -4.314 16.233 306 HD3 LYS 41 HD3 LYS 41 -7.624 -2.555 16.070 307 HE2 LYS 41 HE2 LYS 41 -9.842 -2.518 17.125 308 HE3 LYS 41 HE3 LYS 41 -9.806 -4.273 17.277 309 HZ1 LYS 41 HZ1 LYS 41 -7.906 -2.402 18.569 310 HZ2 LYS 41 HZ2 LYS 41 -7.938 -4.085 18.767 311 HZ3 LYS 41 HZ3 LYS 41 -9.216 -3.142 19.336 312 H LYS 42 H LYS 42 -9.946 0.217 13.298 313 HA LYS 42 HA LYS 42 -12.583 1.004 13.834 314 HB2 LYS 42 HB2 LYS 42 -10.648 2.378 14.391 315 HB3 LYS 42 HB3 LYS 42 -10.275 2.575 12.689 316 HG2 LYS 42 HG2 LYS 42 -12.210 3.925 12.349 317 HG3 LYS 42 HG3 LYS 42 -12.809 3.563 13.971 318 HD2 LYS 42 HD2 LYS 42 -11.783 5.778 13.909 319 HD3 LYS 42 HD3 LYS 42 -10.861 4.686 14.941 320 HE2 LYS 42 HE2 LYS 42 -9.262 4.315 13.123 321 HE3 LYS 42 HE3 LYS 42 -10.192 5.392 12.085 322 HZ1 LYS 42 HZ1 LYS 42 -9.707 7.209 13.578 323 HZ2 LYS 42 HZ2 LYS 42 -8.266 6.486 13.067 324 HZ3 LYS 42 HZ3 LYS 42 -8.861 6.176 14.618 325 H SER 43 H SER 43 -10.745 0.702 10.868 326 HA SER 43 HA SER 43 -12.648 1.934 9.158 327 HB2 SER 43 HB2 SER 43 -10.297 1.651 8.510 328 HB3 SER 43 HB3 SER 43 -10.479 -0.097 8.543 329 HG SER 43 HG SER 43 -11.950 1.656 6.847 330 H TYR 44 H TYR 44 -11.916 -1.486 9.823 331 HA TYR 44 HA TYR 44 -13.983 -2.554 8.239 332 HB2 TYR 44 HB2 TYR 44 -11.991 -3.789 9.023 333 HB3 TYR 44 HB3 TYR 44 -12.649 -3.756 10.649 334 HD1 TYR 44 HD1 TYR 44 -12.797 -5.383 7.400 335 HD2 TYR 44 HD2 TYR 44 -14.689 -5.043 11.192 336 HE1 TYR 44 HE1 TYR 44 -14.046 -7.459 6.959 337 HE2 TYR 44 HE2 TYR 44 -15.935 -7.117 10.769 338 HH TYR 44 HH TYR 44 -16.711 -8.398 8.753 339 H ALA 45 H ALA 45 -13.796 -1.898 11.699 340 HA ALA 45 HA ALA 45 -16.244 -3.034 12.402 341 HB1 ALA 45 HB1 ALA 45 -14.876 -0.661 13.657 342 HB2 ALA 45 HB2 ALA 45 -14.580 -2.356 14.049 343 HB3 ALA 45 HB3 ALA 45 -16.149 -1.630 14.400 344 H ASP 46 H ASP 46 -15.397 0.039 11.099 345 HA ASP 46 HA ASP 46 -17.898 1.350 11.541 346 HB2 ASP 46 HB2 ASP 46 -15.826 2.582 11.121 347 HB3 ASP 46 HB3 ASP 46 -15.744 1.914 9.497 348 H ARG 47 H ARG 47 -16.496 -0.291 8.735 349 HA ARG 47 HA ARG 47 -18.748 0.187 7.060 350 HB2 ARG 47 HB2 ARG 47 -17.648 -1.187 5.434 351 HB3 ARG 47 HB3 ARG 47 -16.421 -0.230 6.253 352 HG2 ARG 47 HG2 ARG 47 -15.814 -2.132 7.616 353 HG3 ARG 47 HG3 ARG 47 -17.041 -3.108 6.808 354 HD2 ARG 47 HD2 ARG 47 -14.743 -1.751 5.417 355 HD3 ARG 47 HD3 ARG 47 -14.761 -3.443 5.926 356 HE ARG 47 HE ARG 47 -16.977 -3.244 4.410 357 HH11 ARG 47 HH11 ARG 47 -13.688 -2.214 3.795 358 HH12 ARG 47 HH12 ARG 47 -13.698 -2.661 2.128 359 HH21 ARG 47 HH21 ARG 47 -17.018 -3.856 2.199 360 HH22 ARG 47 HH22 ARG 47 -15.626 -3.617 1.205 361 H THR 48 H THR 48 -18.005 -2.235 9.400 362 HA THR 48 HA THR 48 -20.072 -3.997 8.344 363 HB THR 48 HB THR 48 -17.876 -4.964 9.035 364 HG1 THR 48 HG1 THR 48 -20.181 -5.856 10.467 365 HG21 THR 48 HG21 THR 48 -17.413 -3.578 10.954 366 HG22 THR 48 HG22 THR 48 -17.444 -5.276 11.439 367 HG23 THR 48 HG23 THR 48 -18.815 -4.226 11.805 368 H GLY 49 H GLY 49 -19.848 -1.449 10.504 369 HA2 GLY 49 HA2 GLY 49 -21.440 -0.504 11.852 370 HA3 GLY 49 HA3 GLY 49 -22.546 -1.782 11.362 371 H VAL 50 H VAL 50 -19.460 -2.357 12.879 372 HA VAL 50 HA VAL 50 -20.867 -3.295 15.286 373 HB VAL 50 HB VAL 50 -18.407 -4.505 13.988 374 HG11 VAL 50 HG11 VAL 50 -19.811 -5.202 16.560 375 HG12 VAL 50 HG12 VAL 50 -18.133 -4.684 16.355 376 HG13 VAL 50 HG13 VAL 50 -18.655 -6.260 15.758 377 HG21 VAL 50 HG21 VAL 50 -20.466 -5.084 12.824 378 HG22 VAL 50 HG22 VAL 50 -21.193 -5.609 14.343 379 HG23 VAL 50 HG23 VAL 50 -19.818 -6.487 13.674 380 H ALA 51 H ALA 51 -19.819 -2.989 17.278 381 HA ALA 51 HA ALA 51 -18.422 -0.651 17.738 382 HB1 ALA 51 HB1 ALA 51 -18.320 -3.209 19.361 383 HB2 ALA 51 HB2 ALA 51 -19.556 -1.956 19.495 384 HB3 ALA 51 HB3 ALA 51 -17.886 -1.597 19.935 385 H VAL 52 H VAL 52 -16.336 -0.065 17.723 386 HA VAL 52 HA VAL 52 -14.486 -1.458 16.130 387 HB VAL 52 HB VAL 52 -14.039 0.820 18.076 388 HG11 VAL 52 HG11 VAL 52 -12.170 -0.245 15.968 389 HG12 VAL 52 HG12 VAL 52 -11.943 -0.349 17.714 390 HG13 VAL 52 HG13 VAL 52 -11.926 1.223 16.914 391 HG21 VAL 52 HG21 VAL 52 -15.543 1.379 16.247 392 HG22 VAL 52 HG22 VAL 52 -14.359 0.799 15.077 393 HG23 VAL 52 HG23 VAL 52 -14.004 2.218 16.061 394 H ASN 53 H ASN 53 -14.781 -1.090 19.622 395 HA ASN 53 HA ASN 53 -12.471 -2.596 20.288 396 HB2 ASN 53 HB2 ASN 53 -13.696 -1.010 21.829 397 HB3 ASN 53 HB3 ASN 53 -14.922 -2.257 22.023 398 HD21 ASN 53 HD21 ASN 53 -14.528 -2.503 24.211 399 HD22 ASN 53 HD22 ASN 53 -13.095 -3.258 24.813 400 H SER 54 H SER 54 -15.705 -3.457 19.422 401 HA SER 54 HA SER 54 -15.607 -6.137 20.407 402 HB2 SER 54 HB2 SER 54 -17.447 -4.802 18.425 403 HB3 SER 54 HB3 SER 54 -17.634 -6.460 18.982 404 HG SER 54 HG SER 54 -17.349 -4.606 21.000 405 H LEU 55 H LEU 55 -14.240 -4.583 17.745 406 HA LEU 55 HA LEU 55 -14.058 -7.037 16.190 407 HB2 LEU 55 HB2 LEU 55 -13.712 -4.190 15.634 408 HB3 LEU 55 HB3 LEU 55 -12.452 -5.183 14.937 409 HG LEU 55 HG LEU 55 -14.125 -4.851 13.290 410 HD11 LEU 55 HD11 LEU 55 -14.791 -7.117 12.754 411 HD12 LEU 55 HD12 LEU 55 -14.440 -7.631 14.400 412 HD13 LEU 55 HD13 LEU 55 -13.135 -7.077 13.355 413 HD21 LEU 55 HD21 LEU 55 -16.460 -5.550 13.629 414 HD22 LEU 55 HD22 LEU 55 -15.980 -4.219 14.682 415 HD23 LEU 55 HD23 LEU 55 -16.093 -5.856 15.327 416 H ARG 56 H ARG 56 -12.278 -8.223 16.007 417 HA ARG 56 HA ARG 56 -9.830 -7.234 17.233 418 HB2 ARG 56 HB2 ARG 56 -9.453 -9.544 18.234 419 HB3 ARG 56 HB3 ARG 56 -10.630 -8.528 19.037 420 HG2 ARG 56 HG2 ARG 56 -11.433 -10.639 17.050 421 HG3 ARG 56 HG3 ARG 56 -11.196 -10.993 18.762 422 HD2 ARG 56 HD2 ARG 56 -13.253 -9.228 17.465 423 HD3 ARG 56 HD3 ARG 56 -13.500 -10.591 18.557 424 HE ARG 56 HE ARG 56 -12.351 -8.005 19.412 425 HH11 ARG 56 HH11 ARG 56 -14.453 -10.766 19.997 426 HH12 ARG 56 HH12 ARG 56 -14.991 -10.179 21.528 427 HH21 ARG 56 HH21 ARG 56 -13.115 -7.210 21.409 428 HH22 ARG 56 HH22 ARG 56 -14.233 -8.147 22.334 429 H PHE 57 H PHE 57 -8.271 -7.376 15.890 430 HA PHE 57 HA PHE 57 -8.416 -9.353 13.733 431 HB2 PHE 57 HB2 PHE 57 -7.102 -6.643 13.905 432 HB3 PHE 57 HB3 PHE 57 -6.798 -7.799 12.611 433 HD1 PHE 57 HD1 PHE 57 -9.767 -6.325 14.325 434 HD2 PHE 57 HD2 PHE 57 -7.913 -7.438 10.687 435 HE1 PHE 57 HE1 PHE 57 -11.687 -5.424 13.080 436 HE2 PHE 57 HE2 PHE 57 -9.827 -6.552 9.432 437 HZ PHE 57 HZ PHE 57 -11.715 -5.548 10.629 438 H LEU 58 H LEU 58 -6.838 -10.781 13.549 439 HA LEU 58 HA LEU 58 -4.548 -10.487 15.351 440 HB2 LEU 58 HB2 LEU 58 -6.338 -12.846 14.949 441 HB3 LEU 58 HB3 LEU 58 -4.662 -13.093 15.388 442 HG LEU 58 HG LEU 58 -5.114 -11.579 17.375 443 HD11 LEU 58 HD11 LEU 58 -7.131 -10.525 16.740 444 HD12 LEU 58 HD12 LEU 58 -7.462 -11.534 18.150 445 HD13 LEU 58 HD13 LEU 58 -7.938 -12.075 16.544 446 HD21 LEU 58 HD21 LEU 58 -5.991 -13.360 18.713 447 HD22 LEU 58 HD22 LEU 58 -4.836 -13.985 17.534 448 HD23 LEU 58 HD23 LEU 58 -6.569 -14.195 17.273 449 H PHE 59 H PHE 59 -2.634 -11.272 14.694 450 HA PHE 59 HA PHE 59 -2.469 -12.300 11.950 451 HB2 PHE 59 HB2 PHE 59 -1.644 -9.910 12.166 452 HB3 PHE 59 HB3 PHE 59 -0.443 -10.503 13.302 453 HD1 PHE 59 HD1 PHE 59 -1.407 -10.317 9.814 454 HD2 PHE 59 HD2 PHE 59 1.373 -11.962 12.563 455 HE1 PHE 59 HE1 PHE 59 0.094 -10.876 7.945 456 HE2 PHE 59 HE2 PHE 59 2.890 -12.521 10.708 457 HZ PHE 59 HZ PHE 59 2.250 -11.978 8.394 458 H ASP 60 H ASP 60 -1.474 -14.220 11.924 459 HA ASP 60 HA ASP 60 -0.373 -16.108 12.622 460 HB2 ASP 60 HB2 ASP 60 1.532 -14.475 12.545 461 HB3 ASP 60 HB3 ASP 60 1.320 -14.218 14.269 462 H GLY 61 H GLY 61 -2.589 -14.946 14.235 463 HA2 GLY 61 HA2 GLY 61 -3.810 -15.903 15.971 464 HA3 GLY 61 HA3 GLY 61 -2.382 -16.818 16.435 465 H ARG 62 H ARG 62 -1.526 -13.615 16.049 466 HA ARG 62 HA ARG 62 -1.984 -13.126 18.909 467 HB2 ARG 62 HB2 ARG 62 0.078 -11.814 18.960 468 HB3 ARG 62 HB3 ARG 62 0.387 -13.431 18.346 469 HG2 ARG 62 HG2 ARG 62 1.681 -12.128 16.965 470 HG3 ARG 62 HG3 ARG 62 0.212 -12.333 16.020 471 HD2 ARG 62 HD2 ARG 62 0.730 -10.058 15.810 472 HD3 ARG 62 HD3 ARG 62 -0.539 -10.103 17.031 473 HE ARG 62 HE ARG 62 1.938 -10.228 18.326 474 HH11 ARG 62 HH11 ARG 62 0.040 -7.948 16.456 475 HH12 ARG 62 HH12 ARG 62 0.757 -6.542 17.141 476 HH21 ARG 62 HH21 ARG 62 2.903 -8.371 19.279 477 HH22 ARG 62 HH22 ARG 62 2.393 -6.793 18.801 478 H ARG 63 H ARG 63 -2.644 -11.063 19.532 479 HA ARG 63 HA ARG 63 -4.395 -9.889 17.605 480 HB2 ARG 63 HB2 ARG 63 -3.701 -8.943 20.386 481 HB3 ARG 63 HB3 ARG 63 -4.981 -8.282 19.385 482 HG2 ARG 63 HG2 ARG 63 -6.107 -9.689 20.850 483 HG3 ARG 63 HG3 ARG 63 -5.935 -10.679 19.401 484 HD2 ARG 63 HD2 ARG 63 -5.420 -11.945 21.434 485 HD3 ARG 63 HD3 ARG 63 -4.010 -11.806 20.385 486 HE ARG 63 HE ARG 63 -4.060 -9.706 22.285 487 HH11 ARG 63 HH11 ARG 63 -3.380 -13.137 22.021 488 HH12 ARG 63 HH12 ARG 63 -2.243 -13.140 23.321 489 HH21 ARG 63 HH21 ARG 63 -2.584 -9.707 24.017 490 HH22 ARG 63 HH22 ARG 63 -1.797 -11.175 24.482 491 H ILE 64 H ILE 64 -4.137 -8.223 16.376 492 HA ILE 64 HA ILE 64 -1.575 -6.907 16.184 493 HB ILE 64 HB ILE 64 -4.228 -6.296 14.807 494 HG12 ILE 64 HG12 ILE 64 -1.839 -7.830 13.760 495 HG13 ILE 64 HG13 ILE 64 -3.281 -8.589 14.420 496 HG21 ILE 64 HG21 ILE 64 -1.428 -5.445 14.047 497 HG22 ILE 64 HG22 ILE 64 -2.638 -4.391 14.777 498 HG23 ILE 64 HG23 ILE 64 -2.906 -5.059 13.168 499 HD11 ILE 64 HD11 ILE 64 -4.610 -7.536 12.640 500 HD12 ILE 64 HD12 ILE 64 -3.355 -8.610 12.026 501 HD13 ILE 64 HD13 ILE 64 -3.126 -6.860 11.963 502 H ASN 65 H ASN 65 -1.009 -5.015 17.023 503 HA ASN 65 HA ASN 65 -2.977 -3.785 18.844 504 HB2 ASN 65 HB2 ASN 65 0.027 -3.924 19.174 505 HB3 ASN 65 HB3 ASN 65 -1.095 -3.160 20.289 506 HD21 ASN 65 HD21 ASN 65 -3.109 -5.219 20.157 507 HD22 ASN 65 HD22 ASN 65 -2.466 -6.595 20.980 508 H ASP 66 H ASP 66 -2.529 -1.493 19.353 509 HA ASP 66 HA ASP 66 -1.979 -0.008 16.937 510 HB2 ASP 66 HB2 ASP 66 -2.657 1.934 18.204 511 HB3 ASP 66 HB3 ASP 66 -3.783 0.629 18.572 512 H ASP 67 H ASP 67 -0.186 -1.355 19.319 513 HA ASP 67 HA ASP 67 1.849 0.759 19.318 514 HB2 ASP 67 HB2 ASP 67 0.786 0.154 21.503 515 HB3 ASP 67 HB3 ASP 67 1.479 -1.453 21.337 516 H ASP 68 H ASP 68 1.194 -2.171 17.876 517 HA ASP 68 HA ASP 68 3.789 -3.330 18.186 518 HB2 ASP 68 HB2 ASP 68 3.044 -5.006 16.531 519 HB3 ASP 68 HB3 ASP 68 1.911 -4.830 17.855 520 H THR 69 H THR 69 5.024 -3.972 16.137 521 HA THR 69 HA THR 69 5.282 -1.542 14.508 522 HB THR 69 HB THR 69 7.714 -2.145 14.315 523 HG1 THR 69 HG1 THR 69 8.454 -3.587 16.064 524 HG21 THR 69 HG21 THR 69 8.334 -1.346 16.563 525 HG22 THR 69 HG22 THR 69 6.680 -1.633 17.106 526 HG23 THR 69 HG23 THR 69 7.004 -0.414 15.876 527 HA PRO 70 HA PRO 70 4.690 -3.854 10.850 528 HB2 PRO 70 HB2 PRO 70 6.772 -2.936 9.281 529 HB3 PRO 70 HB3 PRO 70 5.238 -2.097 9.508 530 HG2 PRO 70 HG2 PRO 70 7.856 -1.653 10.868 531 HG3 PRO 70 HG3 PRO 70 6.681 -0.463 10.287 532 HD2 PRO 70 HD2 PRO 70 6.855 -1.066 12.875 533 HD3 PRO 70 HD3 PRO 70 5.280 -0.771 12.111 534 H LYS 71 H LYS 71 7.969 -3.807 12.168 535 HA LYS 71 HA LYS 71 8.765 -6.065 10.634 536 HB2 LYS 71 HB2 LYS 71 10.819 -6.045 12.014 537 HB3 LYS 71 HB3 LYS 71 10.472 -4.527 11.216 538 HG2 LYS 71 HG2 LYS 71 11.229 -3.929 13.346 539 HG3 LYS 71 HG3 LYS 71 9.478 -3.769 13.434 540 HD2 LYS 71 HD2 LYS 71 10.493 -4.854 15.431 541 HD3 LYS 71 HD3 LYS 71 9.290 -5.852 14.611 542 HE2 LYS 71 HE2 LYS 71 10.958 -7.192 13.610 543 HE3 LYS 71 HE3 LYS 71 12.249 -6.096 14.107 544 HZ1 LYS 71 HZ1 LYS 71 12.157 -8.072 15.492 545 HZ2 LYS 71 HZ2 LYS 71 10.559 -7.731 15.921 546 HZ3 LYS 71 HZ3 LYS 71 11.802 -6.692 16.404 547 H THR 72 H THR 72 7.278 -5.708 13.774 548 HA THR 72 HA THR 72 8.021 -8.354 14.586 549 HB THR 72 HB THR 72 7.454 -6.461 16.225 550 HG1 THR 72 HG1 THR 72 7.680 -8.605 16.936 551 HG21 THR 72 HG21 THR 72 5.091 -6.280 16.892 552 HG22 THR 72 HG22 THR 72 4.638 -7.343 15.560 553 HG23 THR 72 HG23 THR 72 5.329 -5.756 15.224 554 H LEU 73 H LEU 73 5.397 -6.904 12.899 555 HA LEU 73 HA LEU 73 3.888 -9.407 12.876 556 HB2 LEU 73 HB2 LEU 73 3.328 -6.737 11.589 557 HB3 LEU 73 HB3 LEU 73 2.257 -8.121 11.525 558 HG LEU 73 HG LEU 73 3.030 -6.642 14.046 559 HD11 LEU 73 HD11 LEU 73 0.471 -6.633 12.453 560 HD12 LEU 73 HD12 LEU 73 1.629 -5.306 12.558 561 HD13 LEU 73 HD13 LEU 73 0.744 -5.820 13.994 562 HD21 LEU 73 HD21 LEU 73 1.051 -8.855 13.528 563 HD22 LEU 73 HD22 LEU 73 1.248 -7.985 15.049 564 HD23 LEU 73 HD23 LEU 73 2.557 -8.995 14.436 565 H GLU 74 H GLU 74 6.115 -7.626 11.014 566 HA GLU 74 HA GLU 74 6.776 -7.615 8.851 567 HB2 GLU 74 HB2 GLU 74 7.975 -9.538 9.942 568 HB3 GLU 74 HB3 GLU 74 6.788 -10.610 9.210 569 HG2 GLU 74 HG2 GLU 74 7.459 -9.871 6.993 570 HG3 GLU 74 HG3 GLU 74 8.622 -8.756 7.705 571 H MET 75 H MET 75 4.379 -7.001 8.508 572 HA MET 75 HA MET 75 2.918 -8.896 6.898 573 HB2 MET 75 HB2 MET 75 2.362 -5.982 7.486 574 HB3 MET 75 HB3 MET 75 1.268 -7.085 6.659 575 HG2 MET 75 HG2 MET 75 1.217 -8.480 8.700 576 HG3 MET 75 HG3 MET 75 2.200 -7.270 9.509 577 HE1 MET 75 HE1 MET 75 -0.147 -4.200 9.767 578 HE2 MET 75 HE2 MET 75 1.117 -4.510 8.577 579 HE3 MET 75 HE3 MET 75 1.380 -4.926 10.271 580 H GLU 76 H GLU 76 2.434 -8.596 4.685 581 HA GLU 76 HA GLU 76 4.105 -6.692 3.270 582 HB2 GLU 76 HB2 GLU 76 4.824 -8.449 1.681 583 HB3 GLU 76 HB3 GLU 76 5.449 -8.696 3.303 584 HG2 GLU 76 HG2 GLU 76 3.646 -10.350 3.689 585 HG3 GLU 76 HG3 GLU 76 3.169 -10.157 2.002 586 H ASP 77 H ASP 77 3.532 -7.170 0.756 587 HA ASP 77 HA ASP 77 0.918 -6.181 0.585 588 HB2 ASP 77 HB2 ASP 77 2.718 -5.631 -1.016 589 HB3 ASP 77 HB3 ASP 77 2.593 -7.262 -1.672 590 H ASP 78 H ASP 78 -0.837 -7.164 0.789 591 HA ASP 78 HA ASP 78 -2.632 -8.470 0.401 592 HB2 ASP 78 HB2 ASP 78 -1.559 -8.689 -1.940 593 HB3 ASP 78 HB3 ASP 78 -1.065 -10.286 -1.395 594 H ASP 79 H ASP 79 -0.789 -8.880 2.532 595 HA ASP 79 HA ASP 79 -0.542 -11.707 2.929 596 HB2 ASP 79 HB2 ASP 79 0.763 -9.689 4.093 597 HB3 ASP 79 HB3 ASP 79 -0.544 -9.886 5.263 598 H VAL 80 H VAL 80 -1.466 -12.381 5.244 599 HA VAL 80 HA VAL 80 -4.368 -12.148 4.846 600 HB VAL 80 HB VAL 80 -2.886 -14.398 6.104 601 HG11 VAL 80 HG11 VAL 80 -5.206 -14.294 6.692 602 HG12 VAL 80 HG12 VAL 80 -4.906 -15.681 5.642 603 HG13 VAL 80 HG13 VAL 80 -5.660 -14.224 4.989 604 HG21 VAL 80 HG21 VAL 80 -3.791 -14.251 3.241 605 HG22 VAL 80 HG22 VAL 80 -2.898 -15.573 4.007 606 HG23 VAL 80 HG23 VAL 80 -2.138 -13.987 3.786 607 H ILE 81 H ILE 81 -5.521 -11.521 6.482 608 HA ILE 81 HA ILE 81 -4.320 -11.403 9.145 609 HB ILE 81 HB ILE 81 -5.550 -9.265 7.579 610 HG12 ILE 81 HG12 ILE 81 -4.392 -7.855 9.278 611 HG13 ILE 81 HG13 ILE 81 -3.970 -9.320 10.153 612 HG21 ILE 81 HG21 ILE 81 -6.766 -8.188 9.388 613 HG22 ILE 81 HG22 ILE 81 -6.560 -9.631 10.388 614 HG23 ILE 81 HG23 ILE 81 -7.517 -9.707 8.903 615 HD11 ILE 81 HD11 ILE 81 -3.074 -8.571 7.380 616 HD12 ILE 81 HD12 ILE 81 -2.687 -10.082 8.200 617 HD13 ILE 81 HD13 ILE 81 -2.099 -8.550 8.849 618 H GLU 82 H GLU 82 -5.491 -12.139 10.801 619 HA GLU 82 HA GLU 82 -7.820 -13.724 10.036 620 HB2 GLU 82 HB2 GLU 82 -6.165 -13.820 12.546 621 HB3 GLU 82 HB3 GLU 82 -7.340 -15.011 12.014 622 HG2 GLU 82 HG2 GLU 82 -5.968 -15.610 10.129 623 HG3 GLU 82 HG3 GLU 82 -4.813 -14.341 10.520 624 H VAL 83 H VAL 83 -9.766 -13.383 10.895 625 HA VAL 83 HA VAL 83 -9.995 -11.410 13.053 626 HB VAL 83 HB VAL 83 -11.810 -11.606 10.636 627 HG11 VAL 83 HG11 VAL 83 -13.041 -9.731 11.620 628 HG12 VAL 83 HG12 VAL 83 -12.027 -9.820 13.061 629 HG13 VAL 83 HG13 VAL 83 -13.112 -11.151 12.663 630 HG21 VAL 83 HG21 VAL 83 -10.001 -9.423 11.626 631 HG22 VAL 83 HG22 VAL 83 -11.071 -9.324 10.227 632 HG23 VAL 83 HG23 VAL 83 -9.716 -10.455 10.224 633 H TYR 84 H TYR 84 -11.256 -11.941 14.680 634 HA TYR 84 HA TYR 84 -12.690 -14.467 14.492 635 HB2 TYR 84 HB2 TYR 84 -11.412 -13.096 16.850 636 HB3 TYR 84 HB3 TYR 84 -12.470 -14.496 16.991 637 HD1 TYR 84 HD1 TYR 84 -9.157 -13.332 16.021 638 HD2 TYR 84 HD2 TYR 84 -11.782 -16.672 16.076 639 HE1 TYR 84 HE1 TYR 84 -7.260 -14.816 15.538 640 HE2 TYR 84 HE2 TYR 84 -9.896 -18.171 15.599 641 HH TYR 84 HH TYR 84 -7.622 -17.920 14.450 642 H GLN 85 H GLN 85 -14.558 -14.559 16.149 643 HA GLN 85 HA GLN 85 -16.459 -12.787 15.084 644 HB2 GLN 85 HB2 GLN 85 -18.054 -13.889 16.608 645 HB3 GLN 85 HB3 GLN 85 -17.072 -15.037 15.712 646 HG2 GLN 85 HG2 GLN 85 -15.604 -15.216 17.737 647 HG3 GLN 85 HG3 GLN 85 -16.804 -14.257 18.601 648 HE21 GLN 85 HE21 GLN 85 -18.794 -15.174 19.100 649 HE22 GLN 85 HE22 GLN 85 -19.078 -16.874 18.973 650 H GLU 86 H GLU 86 -17.478 -11.098 15.820 651 HA GLU 86 HA GLU 86 -16.060 -9.375 17.547 652 HB2 GLU 86 HB2 GLU 86 -18.809 -9.075 16.367 653 HB3 GLU 86 HB3 GLU 86 -17.835 -7.791 17.066 654 HG2 GLU 86 HG2 GLU 86 -17.391 -7.440 14.896 655 HG3 GLU 86 HG3 GLU 86 -16.121 -8.607 15.260 656 H GLN 87 H GLN 87 -16.835 -8.300 19.348 657 HA GLN 87 HA GLN 87 -18.083 -9.906 21.316 658 HB2 GLN 87 HB2 GLN 87 -16.518 -8.132 21.885 659 HB3 GLN 87 HB3 GLN 87 -17.595 -6.929 21.201 660 HG2 GLN 87 HG2 GLN 87 -19.206 -7.312 22.894 661 HG3 GLN 87 HG3 GLN 87 -18.269 -8.655 23.565 662 HE21 GLN 87 HE21 GLN 87 -18.112 -7.670 25.565 663 HE22 GLN 87 HE22 GLN 87 -17.104 -6.296 25.851 664 H LEU 88 H LEU 88 -19.207 -7.247 19.303 665 HA LEU 88 HA LEU 88 -21.902 -7.512 20.329 666 HB2 LEU 88 HB2 LEU 88 -20.914 -5.279 20.068 667 HB3 LEU 88 HB3 LEU 88 -20.737 -5.560 18.351 668 HG LEU 88 HG LEU 88 -23.194 -5.695 18.140 669 HD11 LEU 88 HD11 LEU 88 -24.592 -4.958 20.009 670 HD12 LEU 88 HD12 LEU 88 -23.172 -4.912 21.050 671 HD13 LEU 88 HD13 LEU 88 -23.729 -6.447 20.385 672 HD21 LEU 88 HD21 LEU 88 -22.047 -3.586 17.727 673 HD22 LEU 88 HD22 LEU 88 -22.156 -3.178 19.440 674 HD23 LEU 88 HD23 LEU 88 -23.622 -3.304 18.468 675 H GLY 89 H GLY 89 -20.015 -8.226 17.496 676 HA2 GLY 89 HA2 GLY 89 -22.367 -8.738 15.854 677 HA3 GLY 89 HA3 GLY 89 -20.695 -8.808 15.325 678 H GLY 90 H GLY 90 -20.797 -10.504 18.135 679 HA2 GLY 90 HA2 GLY 90 -20.770 -13.021 16.717 680 HA3 GLY 90 HA3 GLY 90 -20.402 -12.771 18.420 Start of MODEL 10 1 H MET 1 H MET 1 -8.050 16.373 -22.517 2 HA MET 1 HA MET 1 -7.634 14.103 -21.969 3 HB2 MET 1 HB2 MET 1 -5.598 13.884 -23.376 4 HB3 MET 1 HB3 MET 1 -4.714 14.859 -22.214 5 HG2 MET 1 HG2 MET 1 -5.048 13.152 -20.512 6 HG3 MET 1 HG3 MET 1 -5.971 12.181 -21.659 7 HE1 MET 1 HE1 MET 1 -4.398 10.088 -21.190 8 HE2 MET 1 HE2 MET 1 -3.482 11.048 -20.028 9 HE3 MET 1 HE3 MET 1 -2.638 10.149 -21.290 10 H ALA 2 H ALA 2 -7.824 13.767 -19.823 11 HA ALA 2 HA ALA 2 -6.717 15.836 -18.045 12 HB1 ALA 2 HB1 ALA 2 -9.146 15.984 -18.205 13 HB2 ALA 2 HB2 ALA 2 -8.654 15.469 -16.592 14 HB3 ALA 2 HB3 ALA 2 -9.288 14.289 -17.739 15 H ASP 3 H ASP 3 -5.528 15.162 -16.354 16 HA ASP 3 HA ASP 3 -4.815 12.376 -16.283 17 HB2 ASP 3 HB2 ASP 3 -3.070 14.052 -16.054 18 HB3 ASP 3 HB3 ASP 3 -3.840 14.675 -14.595 19 H ASP 4 H ASP 4 -6.022 10.997 -15.282 20 HA ASP 4 HA ASP 4 -7.910 11.626 -13.287 21 HB2 ASP 4 HB2 ASP 4 -6.739 8.986 -14.148 22 HB3 ASP 4 HB3 ASP 4 -8.066 9.145 -13.003 23 H ALA 5 H ALA 5 -4.626 10.323 -13.121 24 HA ALA 5 HA ALA 5 -4.239 11.197 -10.473 25 HB1 ALA 5 HB1 ALA 5 -4.601 8.217 -10.730 26 HB2 ALA 5 HB2 ALA 5 -5.749 9.315 -9.965 27 HB3 ALA 5 HB3 ALA 5 -4.144 9.096 -9.269 28 H ALA 6 H ALA 6 -3.275 9.193 -13.091 29 HA ALA 6 HA ALA 6 -1.263 8.542 -13.948 30 HB1 ALA 6 HB1 ALA 6 -0.882 10.966 -14.032 31 HB2 ALA 6 HB2 ALA 6 0.614 10.081 -13.727 32 HB3 ALA 6 HB3 ALA 6 -0.209 10.908 -12.404 33 H GLN 7 H GLN 7 -2.083 7.217 -11.703 34 HA GLN 7 HA GLN 7 0.278 6.886 -10.029 35 HB2 GLN 7 HB2 GLN 7 -2.530 5.844 -9.763 36 HB3 GLN 7 HB3 GLN 7 -1.218 5.346 -8.706 37 HG2 GLN 7 HG2 GLN 7 -0.917 7.635 -7.967 38 HG3 GLN 7 HG3 GLN 7 -2.186 8.170 -9.067 39 HE21 GLN 7 HE21 GLN 7 -3.375 8.999 -7.353 40 HE22 GLN 7 HE22 GLN 7 -4.246 7.976 -6.266 41 H ALA 8 H ALA 8 1.330 4.961 -9.750 42 HA ALA 8 HA ALA 8 1.321 3.247 -12.078 43 HB1 ALA 8 HB1 ALA 8 3.345 2.300 -11.140 44 HB2 ALA 8 HB2 ALA 8 3.081 3.178 -9.633 45 HB3 ALA 8 HB3 ALA 8 3.429 4.061 -11.119 46 H GLY 9 H GLY 9 -0.325 3.275 -9.195 47 HA2 GLY 9 HA2 GLY 9 -1.878 1.173 -9.317 48 HA3 GLY 9 HA3 GLY 9 -0.368 0.362 -8.922 49 H ASP 10 H ASP 10 0.412 2.748 -7.326 50 HA ASP 10 HA ASP 10 0.367 3.514 -5.181 51 HB2 ASP 10 HB2 ASP 10 -2.001 4.122 -5.906 52 HB3 ASP 10 HB3 ASP 10 -2.536 2.669 -5.076 53 H ASN 11 H ASN 11 0.937 0.695 -5.831 54 HA ASN 11 HA ASN 11 0.202 -0.672 -3.331 55 HB2 ASN 11 HB2 ASN 11 1.551 -1.772 -5.816 56 HB3 ASN 11 HB3 ASN 11 1.077 -2.722 -4.418 57 HD21 ASN 11 HD21 ASN 11 -1.072 -3.250 -4.138 58 HD22 ASN 11 HD22 ASN 11 -2.254 -3.034 -5.380 59 H ALA 12 H ALA 12 2.459 1.287 -4.375 60 HA ALA 12 HA ALA 12 4.898 0.014 -3.985 61 HB1 ALA 12 HB1 ALA 12 4.225 2.903 -3.738 62 HB2 ALA 12 HB2 ALA 12 4.540 2.037 -5.238 63 HB3 ALA 12 HB3 ALA 12 5.830 2.225 -4.039 64 H GLU 13 H GLU 13 2.984 1.897 -1.618 65 HA GLU 13 HA GLU 13 5.105 1.262 0.300 66 HB2 GLU 13 HB2 GLU 13 3.496 3.778 0.095 67 HB3 GLU 13 HB3 GLU 13 4.497 3.391 1.488 68 HG2 GLU 13 HG2 GLU 13 5.550 3.546 -1.322 69 HG3 GLU 13 HG3 GLU 13 5.550 4.903 -0.199 70 H TYR 14 H TYR 14 2.497 -0.011 -0.219 71 HA TYR 14 HA TYR 14 1.867 -0.271 2.607 72 HB2 TYR 14 HB2 TYR 14 -0.262 0.298 0.560 73 HB3 TYR 14 HB3 TYR 14 -0.576 -0.331 2.180 74 HD1 TYR 14 HD1 TYR 14 0.376 2.599 0.238 75 HD2 TYR 14 HD2 TYR 14 -0.178 1.022 4.140 76 HE1 TYR 14 HE1 TYR 14 0.377 4.887 1.160 77 HE2 TYR 14 HE2 TYR 14 -0.180 3.295 5.073 78 HH TYR 14 HH TYR 14 -0.487 6.053 3.183 79 H ILE 15 H ILE 15 0.550 -2.099 3.175 80 HA ILE 15 HA ILE 15 1.166 -4.347 1.382 81 HB ILE 15 HB ILE 15 1.594 -5.713 3.285 82 HG12 ILE 15 HG12 ILE 15 0.541 -3.466 5.010 83 HG13 ILE 15 HG13 ILE 15 -0.306 -4.967 4.612 84 HG21 ILE 15 HG21 ILE 15 2.764 -3.021 3.846 85 HG22 ILE 15 HG22 ILE 15 3.416 -4.241 2.753 86 HG23 ILE 15 HG23 ILE 15 3.347 -4.556 4.486 87 HD11 ILE 15 HD11 ILE 15 2.276 -4.795 6.146 88 HD12 ILE 15 HD12 ILE 15 1.350 -6.256 5.791 89 HD13 ILE 15 HD13 ILE 15 0.674 -5.015 6.851 90 H LYS 16 H LYS 16 -0.314 -6.109 1.595 91 HA LYS 16 HA LYS 16 -3.050 -5.203 2.073 92 HB2 LYS 16 HB2 LYS 16 -1.867 -7.484 0.559 93 HB3 LYS 16 HB3 LYS 16 -3.602 -7.299 0.798 94 HG2 LYS 16 HG2 LYS 16 -3.630 -5.277 -0.464 95 HG3 LYS 16 HG3 LYS 16 -1.873 -5.217 -0.499 96 HD2 LYS 16 HD2 LYS 16 -2.745 -6.002 -2.638 97 HD3 LYS 16 HD3 LYS 16 -1.803 -7.254 -1.835 98 HE2 LYS 16 HE2 LYS 16 -3.868 -8.322 -1.070 99 HE3 LYS 16 HE3 LYS 16 -4.815 -7.057 -1.857 100 HZ1 LYS 16 HZ1 LYS 16 -4.636 -9.112 -3.182 101 HZ2 LYS 16 HZ2 LYS 16 -2.959 -8.891 -3.276 102 HZ3 LYS 16 HZ3 LYS 16 -4.004 -7.763 -3.979 103 H ILE 17 H ILE 17 -4.420 -6.325 3.354 104 HA ILE 17 HA ILE 17 -3.305 -8.545 4.920 105 HB ILE 17 HB ILE 17 -5.050 -6.281 5.875 106 HG12 ILE 17 HG12 ILE 17 -2.675 -5.738 5.755 107 HG13 ILE 17 HG13 ILE 17 -3.221 -5.808 7.427 108 HG21 ILE 17 HG21 ILE 17 -5.857 -8.332 6.843 109 HG22 ILE 17 HG22 ILE 17 -5.039 -7.361 8.067 110 HG23 ILE 17 HG23 ILE 17 -4.227 -8.758 7.361 111 HD11 ILE 17 HD11 ILE 17 -1.045 -6.822 7.212 112 HD12 ILE 17 HD12 ILE 17 -1.637 -7.910 5.960 113 HD13 ILE 17 HD13 ILE 17 -2.234 -8.061 7.612 114 H LYS 18 H LYS 18 -4.472 -10.366 4.772 115 HA LYS 18 HA LYS 18 -7.179 -10.097 3.694 116 HB2 LYS 18 HB2 LYS 18 -5.959 -12.757 4.295 117 HB3 LYS 18 HB3 LYS 18 -7.117 -12.325 3.065 118 HG2 LYS 18 HG2 LYS 18 -5.206 -11.116 1.857 119 HG3 LYS 18 HG3 LYS 18 -4.144 -11.911 3.016 120 HD2 LYS 18 HD2 LYS 18 -6.069 -13.327 1.175 121 HD3 LYS 18 HD3 LYS 18 -4.328 -13.186 0.930 122 HE2 LYS 18 HE2 LYS 18 -3.927 -14.412 3.003 123 HE3 LYS 18 HE3 LYS 18 -5.663 -14.523 3.284 124 HZ1 LYS 18 HZ1 LYS 18 -4.182 -15.740 1.019 125 HZ2 LYS 18 HZ2 LYS 18 -5.854 -15.812 1.243 126 HZ3 LYS 18 HZ3 LYS 18 -4.824 -16.562 2.349 127 H VAL 19 H VAL 19 -8.484 -9.600 5.293 128 HA VAL 19 HA VAL 19 -8.241 -10.709 7.920 129 HB VAL 19 HB VAL 19 -10.371 -9.001 6.617 130 HG11 VAL 19 HG11 VAL 19 -11.162 -8.538 8.865 131 HG12 VAL 19 HG12 VAL 19 -9.971 -9.664 9.516 132 HG13 VAL 19 HG13 VAL 19 -11.272 -10.256 8.485 133 HG21 VAL 19 HG21 VAL 19 -8.112 -8.255 8.470 134 HG22 VAL 19 HG22 VAL 19 -9.366 -7.161 7.888 135 HG23 VAL 19 HG23 VAL 19 -8.222 -7.874 6.752 136 H VAL 20 H VAL 20 -8.939 -12.728 8.314 137 HA VAL 20 HA VAL 20 -11.197 -13.736 6.727 138 HB VAL 20 HB VAL 20 -9.115 -15.302 8.274 139 HG11 VAL 20 HG11 VAL 20 -11.333 -16.263 6.466 140 HG12 VAL 20 HG12 VAL 20 -11.261 -16.453 8.218 141 HG13 VAL 20 HG13 VAL 20 -10.086 -17.277 7.193 142 HG21 VAL 20 HG21 VAL 20 -9.465 -14.886 5.306 143 HG22 VAL 20 HG22 VAL 20 -8.336 -16.023 6.038 144 HG23 VAL 20 HG23 VAL 20 -8.138 -14.291 6.304 145 H GLY 21 H GLY 21 -13.047 -13.778 7.712 146 HA2 GLY 21 HA2 GLY 21 -13.088 -13.576 10.636 147 HA3 GLY 21 HA3 GLY 21 -14.453 -13.287 9.579 148 H GLN 22 H GLN 22 -15.213 -14.646 11.560 149 HA GLN 22 HA GLN 22 -14.663 -17.440 11.545 150 HB2 GLN 22 HB2 GLN 22 -16.809 -15.828 12.905 151 HB3 GLN 22 HB3 GLN 22 -16.564 -17.547 13.158 152 HG2 GLN 22 HG2 GLN 22 -14.541 -15.389 13.721 153 HG3 GLN 22 HG3 GLN 22 -15.545 -16.191 14.929 154 HE21 GLN 22 HE21 GLN 22 -12.588 -16.054 14.457 155 HE22 GLN 22 HE22 GLN 22 -12.074 -17.706 14.458 156 H ASP 23 H ASP 23 -16.808 -15.445 9.904 157 HA ASP 23 HA ASP 23 -18.628 -17.541 9.095 158 HB2 ASP 23 HB2 ASP 23 -18.245 -14.734 8.013 159 HB3 ASP 23 HB3 ASP 23 -19.553 -15.820 7.573 160 H SER 24 H SER 24 -15.559 -17.299 8.586 161 HA SER 24 HA SER 24 -14.031 -17.890 7.021 162 HB2 SER 24 HB2 SER 24 -16.431 -18.921 5.476 163 HB3 SER 24 HB3 SER 24 -14.748 -19.340 5.164 164 HG SER 24 HG SER 24 -15.676 -20.960 6.389 165 H ASN 25 H ASN 25 -15.342 -15.368 7.091 166 HA ASN 25 HA ASN 25 -15.573 -14.531 4.300 167 HB2 ASN 25 HB2 ASN 25 -17.267 -13.819 5.956 168 HB3 ASN 25 HB3 ASN 25 -16.028 -12.930 6.830 169 HD21 ASN 25 HD21 ASN 25 -18.416 -11.859 5.757 170 HD22 ASN 25 HD22 ASN 25 -18.001 -10.706 4.539 171 H GLU 26 H GLU 26 -13.709 -14.182 3.400 172 HA GLU 26 HA GLU 26 -11.602 -12.795 4.878 173 HB2 GLU 26 HB2 GLU 26 -10.817 -14.792 3.793 174 HB3 GLU 26 HB3 GLU 26 -11.506 -14.285 2.257 175 HG2 GLU 26 HG2 GLU 26 -9.935 -12.340 2.288 176 HG3 GLU 26 HG3 GLU 26 -9.203 -13.021 3.734 177 H VAL 27 H VAL 27 -11.049 -10.805 4.449 178 HA VAL 27 HA VAL 27 -11.953 -9.531 1.975 179 HB VAL 27 HB VAL 27 -13.645 -8.933 3.630 180 HG11 VAL 27 HG11 VAL 27 -12.307 -9.313 5.635 181 HG12 VAL 27 HG12 VAL 27 -13.092 -7.732 5.660 182 HG13 VAL 27 HG13 VAL 27 -11.372 -7.860 5.273 183 HG21 VAL 27 HG21 VAL 27 -13.441 -6.485 3.558 184 HG22 VAL 27 HG22 VAL 27 -13.030 -7.227 2.013 185 HG23 VAL 27 HG23 VAL 27 -11.751 -6.651 3.081 186 H HIS 28 H HIS 28 -10.583 -8.004 1.184 187 HA HIS 28 HA HIS 28 -7.964 -8.070 2.462 188 HB2 HIS 28 HB2 HIS 28 -8.796 -7.392 -0.346 189 HB3 HIS 28 HB3 HIS 28 -7.141 -7.257 0.240 190 HD2 HIS 28 HD2 HIS 28 -8.194 -10.394 1.807 191 HE1 HIS 28 HE1 HIS 28 -7.113 -11.573 -2.113 192 HE2 HIS 28 HE2 HIS 28 -7.901 -12.348 0.149 193 H PHE 29 H PHE 29 -7.511 -6.477 3.693 194 HA PHE 29 HA PHE 29 -8.279 -3.758 2.891 195 HB2 PHE 29 HB2 PHE 29 -7.637 -4.925 5.587 196 HB3 PHE 29 HB3 PHE 29 -7.617 -3.198 5.290 197 HD1 PHE 29 HD1 PHE 29 -9.694 -6.149 5.730 198 HD2 PHE 29 HD2 PHE 29 -9.684 -1.996 4.822 199 HE1 PHE 29 HE1 PHE 29 -12.110 -6.042 6.170 200 HE2 PHE 29 HE2 PHE 29 -12.100 -1.886 5.263 201 HZ PHE 29 HZ PHE 29 -13.315 -3.913 5.939 202 H ARG 30 H ARG 30 -6.696 -2.190 2.810 203 HA ARG 30 HA ARG 30 -3.996 -3.303 2.707 204 HB2 ARG 30 HB2 ARG 30 -4.810 -2.348 0.612 205 HB3 ARG 30 HB3 ARG 30 -5.082 -0.810 1.422 206 HG2 ARG 30 HG2 ARG 30 -2.726 -0.597 1.873 207 HG3 ARG 30 HG3 ARG 30 -2.402 -2.151 1.112 208 HD2 ARG 30 HD2 ARG 30 -1.916 -0.476 -0.461 209 HD3 ARG 30 HD3 ARG 30 -3.432 -1.243 -0.949 210 HE ARG 30 HE ARG 30 -4.039 0.959 0.676 211 HH11 ARG 30 HH11 ARG 30 -2.854 0.314 -2.559 212 HH12 ARG 30 HH12 ARG 30 -3.296 1.872 -3.156 213 HH21 ARG 30 HH21 ARG 30 -4.666 2.990 -0.133 214 HH22 ARG 30 HH22 ARG 30 -4.332 3.397 -1.784 215 H VAL 31 H VAL 31 -2.572 -2.679 4.104 216 HA VAL 31 HA VAL 31 -2.984 -0.202 5.598 217 HB VAL 31 HB VAL 31 -2.459 -1.253 7.728 218 HG11 VAL 31 HG11 VAL 31 -4.541 -2.533 8.079 219 HG12 VAL 31 HG12 VAL 31 -4.787 -2.562 6.331 220 HG13 VAL 31 HG13 VAL 31 -4.798 -1.027 7.196 221 HG21 VAL 31 HG21 VAL 31 -1.098 -3.097 6.979 222 HG22 VAL 31 HG22 VAL 31 -2.490 -3.844 6.200 223 HG23 VAL 31 HG23 VAL 31 -2.433 -3.708 7.958 224 H LYS 32 H LYS 32 -1.007 0.058 7.102 225 HA LYS 32 HA LYS 32 1.339 -0.042 5.386 226 HB2 LYS 32 HB2 LYS 32 0.591 1.992 6.716 227 HB3 LYS 32 HB3 LYS 32 1.026 1.095 8.155 228 HG2 LYS 32 HG2 LYS 32 3.336 0.951 7.344 229 HG3 LYS 32 HG3 LYS 32 2.888 1.938 5.956 230 HD2 LYS 32 HD2 LYS 32 2.200 3.747 7.446 231 HD3 LYS 32 HD3 LYS 32 2.625 2.748 8.836 232 HE2 LYS 32 HE2 LYS 32 4.372 4.370 8.386 233 HE3 LYS 32 HE3 LYS 32 4.957 2.732 8.115 234 HZ1 LYS 32 HZ1 LYS 32 4.080 4.639 6.019 235 HZ2 LYS 32 HZ2 LYS 32 4.617 3.061 5.739 236 HZ3 LYS 32 HZ3 LYS 32 5.674 4.211 6.365 237 H TYR 33 H TYR 33 3.333 -0.980 6.162 238 HA TYR 33 HA TYR 33 3.264 -3.394 7.550 239 HB2 TYR 33 HB2 TYR 33 5.463 -1.356 7.274 240 HB3 TYR 33 HB3 TYR 33 5.721 -2.876 8.112 241 HD1 TYR 33 HD1 TYR 33 5.492 -1.221 4.894 242 HD2 TYR 33 HD2 TYR 33 5.616 -5.009 6.832 243 HE1 TYR 33 HE1 TYR 33 6.114 -2.286 2.765 244 HE2 TYR 33 HE2 TYR 33 6.232 -6.084 4.709 245 HH TYR 33 HH TYR 33 6.033 -5.656 2.292 246 H GLY 34 H GLY 34 3.761 -0.104 8.742 247 HA2 GLY 34 HA2 GLY 34 3.894 -1.059 11.505 248 HA3 GLY 34 HA3 GLY 34 4.318 0.553 10.945 249 H THR 35 H THR 35 1.399 -1.094 9.986 250 HA THR 35 HA THR 35 -0.208 1.041 10.804 251 HB THR 35 HB THR 35 -0.507 -1.434 9.353 252 HG1 THR 35 HG1 THR 35 -1.164 1.185 9.162 253 HG21 THR 35 HG21 THR 35 -2.805 -0.585 11.103 254 HG22 THR 35 HG22 THR 35 -1.991 -2.147 11.091 255 HG23 THR 35 HG23 THR 35 -2.971 -1.652 9.707 256 H SER 36 H SER 36 -1.516 1.323 12.499 257 HA SER 36 HA SER 36 -1.113 -0.283 14.862 258 HB2 SER 36 HB2 SER 36 -2.383 1.448 15.991 259 HB3 SER 36 HB3 SER 36 -1.234 2.212 14.893 260 HG SER 36 HG SER 36 -2.997 3.241 14.353 261 H MET 37 H MET 37 -3.050 -1.019 16.136 262 HA MET 37 HA MET 37 -4.653 -2.742 14.607 263 HB2 MET 37 HB2 MET 37 -5.872 -3.239 16.629 264 HB3 MET 37 HB3 MET 37 -4.164 -3.096 17.009 265 HG2 MET 37 HG2 MET 37 -4.514 -0.888 17.921 266 HG3 MET 37 HG3 MET 37 -6.211 -0.936 17.455 267 HE1 MET 37 HE1 MET 37 -6.268 -1.147 21.387 268 HE2 MET 37 HE2 MET 37 -6.783 -0.228 19.973 269 HE3 MET 37 HE3 MET 37 -5.078 -0.280 20.417 270 H ALA 38 H ALA 38 -5.180 0.523 15.667 271 HA ALA 38 HA ALA 38 -7.961 0.657 15.388 272 HB1 ALA 38 HB1 ALA 38 -6.661 2.353 16.571 273 HB2 ALA 38 HB2 ALA 38 -7.675 3.066 15.315 274 HB3 ALA 38 HB3 ALA 38 -5.944 2.866 15.042 275 H LYS 39 H LYS 39 -5.358 1.007 13.098 276 HA LYS 39 HA LYS 39 -6.728 2.290 11.031 277 HB2 LYS 39 HB2 LYS 39 -4.457 0.317 10.888 278 HB3 LYS 39 HB3 LYS 39 -4.943 1.397 9.591 279 HG2 LYS 39 HG2 LYS 39 -3.984 2.309 12.292 280 HG3 LYS 39 HG3 LYS 39 -2.959 2.219 10.869 281 HD2 LYS 39 HD2 LYS 39 -4.468 3.832 9.739 282 HD3 LYS 39 HD3 LYS 39 -5.432 3.927 11.215 283 HE2 LYS 39 HE2 LYS 39 -3.475 4.745 12.431 284 HE3 LYS 39 HE3 LYS 39 -2.521 4.666 10.951 285 HZ1 LYS 39 HZ1 LYS 39 -4.899 6.381 11.400 286 HZ2 LYS 39 HZ2 LYS 39 -4.002 6.308 9.970 287 HZ3 LYS 39 HZ3 LYS 39 -3.289 6.901 11.382 288 H LEU 40 H LEU 40 -6.407 -1.148 11.794 289 HA LEU 40 HA LEU 40 -7.981 -1.846 9.466 290 HB2 LEU 40 HB2 LEU 40 -7.711 -4.210 10.303 291 HB3 LEU 40 HB3 LEU 40 -6.276 -3.389 9.750 292 HG LEU 40 HG LEU 40 -6.856 -3.398 12.697 293 HD11 LEU 40 HD11 LEU 40 -5.717 -5.548 12.907 294 HD12 LEU 40 HD12 LEU 40 -5.661 -5.704 11.152 295 HD13 LEU 40 HD13 LEU 40 -7.213 -5.720 11.991 296 HD21 LEU 40 HD21 LEU 40 -4.409 -3.490 12.773 297 HD22 LEU 40 HD22 LEU 40 -4.971 -2.132 11.796 298 HD23 LEU 40 HD23 LEU 40 -4.360 -3.585 11.014 299 H LYS 41 H LYS 41 -8.286 -1.956 12.973 300 HA LYS 41 HA LYS 41 -10.765 -3.297 13.067 301 HB2 LYS 41 HB2 LYS 41 -9.440 -1.376 14.971 302 HB3 LYS 41 HB3 LYS 41 -10.915 -2.256 15.330 303 HG2 LYS 41 HG2 LYS 41 -9.834 -4.311 15.325 304 HG3 LYS 41 HG3 LYS 41 -8.381 -3.646 14.570 305 HD2 LYS 41 HD2 LYS 41 -7.952 -3.991 16.893 306 HD3 LYS 41 HD3 LYS 41 -8.056 -2.259 16.563 307 HE2 LYS 41 HE2 LYS 41 -10.345 -2.211 17.419 308 HE3 LYS 41 HE3 LYS 41 -10.291 -3.950 17.706 309 HZ1 LYS 41 HZ1 LYS 41 -8.492 -3.554 19.314 310 HZ2 LYS 41 HZ2 LYS 41 -9.911 -2.763 19.747 311 HZ3 LYS 41 HZ3 LYS 41 -8.640 -1.887 19.069 312 H LYS 42 H LYS 42 -9.978 0.129 13.113 313 HA LYS 42 HA LYS 42 -12.653 0.995 13.193 314 HB2 LYS 42 HB2 LYS 42 -10.765 2.512 13.627 315 HB3 LYS 42 HB3 LYS 42 -10.286 2.402 11.939 316 HG2 LYS 42 HG2 LYS 42 -12.398 3.436 11.269 317 HG3 LYS 42 HG3 LYS 42 -12.883 3.546 12.957 318 HD2 LYS 42 HD2 LYS 42 -10.459 4.879 11.743 319 HD3 LYS 42 HD3 LYS 42 -11.994 5.676 12.084 320 HE2 LYS 42 HE2 LYS 42 -10.184 4.382 14.128 321 HE3 LYS 42 HE3 LYS 42 -10.325 6.110 13.824 322 HZ1 LYS 42 HZ1 LYS 42 -12.488 4.341 14.829 323 HZ2 LYS 42 HZ2 LYS 42 -12.659 5.983 14.494 324 HZ3 LYS 42 HZ3 LYS 42 -11.629 5.477 15.732 325 H SER 43 H SER 43 -10.510 0.176 10.570 326 HA SER 43 HA SER 43 -12.205 1.023 8.480 327 HB2 SER 43 HB2 SER 43 -9.893 -0.911 8.590 328 HB3 SER 43 HB3 SER 43 -10.748 -0.552 7.074 329 HG SER 43 HG SER 43 -8.897 0.888 8.445 330 H TYR 44 H TYR 44 -11.751 -2.177 9.954 331 HA TYR 44 HA TYR 44 -13.725 -3.427 8.317 332 HB2 TYR 44 HB2 TYR 44 -11.890 -4.611 9.490 333 HB3 TYR 44 HB3 TYR 44 -12.714 -4.303 11.014 334 HD1 TYR 44 HD1 TYR 44 -12.644 -6.313 8.004 335 HD2 TYR 44 HD2 TYR 44 -14.874 -5.379 11.484 336 HE1 TYR 44 HE1 TYR 44 -13.980 -8.345 7.672 337 HE2 TYR 44 HE2 TYR 44 -16.218 -7.409 11.181 338 HH TYR 44 HH TYR 44 -15.353 -9.861 8.959 339 H ALA 45 H ALA 45 -13.749 -2.162 11.617 340 HA ALA 45 HA ALA 45 -16.400 -2.814 12.181 341 HB1 ALA 45 HB1 ALA 45 -16.305 -1.112 13.930 342 HB2 ALA 45 HB2 ALA 45 -14.816 -0.476 13.227 343 HB3 ALA 45 HB3 ALA 45 -14.846 -2.103 13.909 344 H ASP 46 H ASP 46 -14.979 -0.321 10.336 345 HA ASP 46 HA ASP 46 -17.093 1.564 10.215 346 HB2 ASP 46 HB2 ASP 46 -14.788 2.065 9.514 347 HB3 ASP 46 HB3 ASP 46 -14.968 0.978 8.146 348 H ARG 47 H ARG 47 -16.245 -1.159 8.097 349 HA ARG 47 HA ARG 47 -18.290 -0.697 6.191 350 HB2 ARG 47 HB2 ARG 47 -17.766 -2.879 5.298 351 HB3 ARG 47 HB3 ARG 47 -16.264 -2.107 5.805 352 HG2 ARG 47 HG2 ARG 47 -16.117 -3.446 7.742 353 HG3 ARG 47 HG3 ARG 47 -17.742 -4.083 7.505 354 HD2 ARG 47 HD2 ARG 47 -15.485 -4.508 5.562 355 HD3 ARG 47 HD3 ARG 47 -15.868 -5.622 6.875 356 HE ARG 47 HE ARG 47 -18.201 -5.164 5.414 357 HH11 ARG 47 HH11 ARG 47 -15.069 -6.661 4.964 358 HH12 ARG 47 HH12 ARG 47 -15.659 -7.845 3.848 359 HH21 ARG 47 HH21 ARG 47 -18.971 -6.737 3.942 360 HH22 ARG 47 HH22 ARG 47 -17.872 -7.892 3.267 361 H THR 48 H THR 48 -18.257 -2.279 9.257 362 HA THR 48 HA THR 48 -20.879 -3.449 8.760 363 HB THR 48 HB THR 48 -19.440 -5.065 9.698 364 HG1 THR 48 HG1 THR 48 -20.326 -5.255 11.960 365 HG21 THR 48 HG21 THR 48 -17.649 -3.647 10.502 366 HG22 THR 48 HG22 THR 48 -18.171 -4.733 11.790 367 HG23 THR 48 HG23 THR 48 -18.678 -3.045 11.803 368 H GLY 49 H GLY 49 -19.465 -0.726 10.252 369 HA2 GLY 49 HA2 GLY 49 -20.446 1.065 11.316 370 HA3 GLY 49 HA3 GLY 49 -22.008 0.312 11.025 371 H VAL 50 H VAL 50 -19.398 -1.255 12.719 372 HA VAL 50 HA VAL 50 -21.091 -1.296 15.124 373 HB VAL 50 HB VAL 50 -20.396 -3.492 13.860 374 HG11 VAL 50 HG11 VAL 50 -18.294 -4.396 14.250 375 HG12 VAL 50 HG12 VAL 50 -17.924 -3.268 15.554 376 HG13 VAL 50 HG13 VAL 50 -17.945 -2.709 13.881 377 HG21 VAL 50 HG21 VAL 50 -21.484 -3.194 16.132 378 HG22 VAL 50 HG22 VAL 50 -19.868 -3.479 16.800 379 HG23 VAL 50 HG23 VAL 50 -20.644 -4.703 15.804 380 H ALA 51 H ALA 51 -19.665 -1.737 17.153 381 HA ALA 51 HA ALA 51 -18.039 0.425 17.740 382 HB1 ALA 51 HB1 ALA 51 -19.081 -0.802 19.486 383 HB2 ALA 51 HB2 ALA 51 -17.337 -1.056 19.678 384 HB3 ALA 51 HB3 ALA 51 -18.350 -2.311 18.942 385 H VAL 52 H VAL 52 -15.983 0.851 17.230 386 HA VAL 52 HA VAL 52 -14.411 -0.844 15.607 387 HB VAL 52 HB VAL 52 -13.651 1.628 17.175 388 HG11 VAL 52 HG11 VAL 52 -11.672 1.733 15.704 389 HG12 VAL 52 HG12 VAL 52 -12.085 0.138 15.075 390 HG13 VAL 52 HG13 VAL 52 -11.661 0.333 16.774 391 HG21 VAL 52 HG21 VAL 52 -13.744 2.728 14.963 392 HG22 VAL 52 HG22 VAL 52 -15.300 2.081 15.474 393 HG23 VAL 52 HG23 VAL 52 -14.347 1.224 14.267 394 H ASN 53 H ASN 53 -14.282 0.013 19.008 395 HA ASN 53 HA ASN 53 -11.885 -1.389 19.565 396 HB2 ASN 53 HB2 ASN 53 -12.811 0.511 20.929 397 HB3 ASN 53 HB3 ASN 53 -14.019 -0.608 21.553 398 HD21 ASN 53 HD21 ASN 53 -13.277 -0.432 23.659 399 HD22 ASN 53 HD22 ASN 53 -11.777 -1.119 24.174 400 H SER 54 H SER 54 -15.247 -2.292 19.506 401 HA SER 54 HA SER 54 -14.818 -4.655 21.083 402 HB2 SER 54 HB2 SER 54 -17.244 -3.729 19.553 403 HB3 SER 54 HB3 SER 54 -17.199 -5.085 20.674 404 HG SER 54 HG SER 54 -16.820 -3.708 22.350 405 H LEU 55 H LEU 55 -14.214 -3.897 17.888 406 HA LEU 55 HA LEU 55 -14.785 -6.561 16.857 407 HB2 LEU 55 HB2 LEU 55 -14.805 -4.195 15.631 408 HB3 LEU 55 HB3 LEU 55 -13.098 -4.515 15.441 409 HG LEU 55 HG LEU 55 -14.236 -5.119 13.412 410 HD11 LEU 55 HD11 LEU 55 -13.624 -7.453 13.162 411 HD12 LEU 55 HD12 LEU 55 -13.582 -7.653 14.913 412 HD13 LEU 55 HD13 LEU 55 -12.402 -6.610 14.117 413 HD21 LEU 55 HD21 LEU 55 -16.463 -5.434 14.411 414 HD22 LEU 55 HD22 LEU 55 -15.927 -6.995 15.046 415 HD23 LEU 55 HD23 LEU 55 -16.012 -6.731 13.304 416 H ARG 56 H ARG 56 -13.271 -8.185 16.783 417 HA ARG 56 HA ARG 56 -10.685 -7.569 18.046 418 HB2 ARG 56 HB2 ARG 56 -12.432 -9.986 18.113 419 HB3 ARG 56 HB3 ARG 56 -10.710 -10.161 18.371 420 HG2 ARG 56 HG2 ARG 56 -11.723 -10.047 20.497 421 HG3 ARG 56 HG3 ARG 56 -10.921 -8.501 20.238 422 HD2 ARG 56 HD2 ARG 56 -13.047 -7.489 19.632 423 HD3 ARG 56 HD3 ARG 56 -13.852 -9.043 19.828 424 HE ARG 56 HE ARG 56 -13.727 -8.832 22.110 425 HH11 ARG 56 HH11 ARG 56 -12.031 -6.200 20.546 426 HH12 ARG 56 HH12 ARG 56 -11.823 -5.291 21.996 427 HH21 ARG 56 HH21 ARG 56 -13.428 -7.640 24.052 428 HH22 ARG 56 HH22 ARG 56 -12.617 -6.114 23.998 429 H PHE 57 H PHE 57 -9.036 -7.514 16.721 430 HA PHE 57 HA PHE 57 -8.917 -9.543 14.605 431 HB2 PHE 57 HB2 PHE 57 -7.532 -6.895 14.878 432 HB3 PHE 57 HB3 PHE 57 -7.027 -8.151 13.748 433 HD1 PHE 57 HD1 PHE 57 -9.866 -6.014 14.680 434 HD2 PHE 57 HD2 PHE 57 -8.046 -8.399 11.717 435 HE1 PHE 57 HE1 PHE 57 -11.466 -5.155 13.018 436 HE2 PHE 57 HE2 PHE 57 -9.634 -7.568 10.047 437 HZ PHE 57 HZ PHE 57 -11.345 -5.948 10.698 438 H LEU 58 H LEU 58 -7.370 -10.997 14.611 439 HA LEU 58 HA LEU 58 -5.319 -10.818 16.704 440 HB2 LEU 58 HB2 LEU 58 -7.145 -13.065 16.036 441 HB3 LEU 58 HB3 LEU 58 -5.561 -13.373 16.711 442 HG LEU 58 HG LEU 58 -6.977 -13.419 18.511 443 HD11 LEU 58 HD11 LEU 58 -5.946 -10.661 18.503 444 HD12 LEU 58 HD12 LEU 58 -5.020 -12.125 18.866 445 HD13 LEU 58 HD13 LEU 58 -6.364 -11.642 19.909 446 HD21 LEU 58 HD21 LEU 58 -8.780 -12.062 17.097 447 HD22 LEU 58 HD22 LEU 58 -8.202 -10.758 18.132 448 HD23 LEU 58 HD23 LEU 58 -8.886 -12.217 18.850 449 H PHE 59 H PHE 59 -3.538 -11.925 16.396 450 HA PHE 59 HA PHE 59 -2.963 -12.699 13.601 451 HB2 PHE 59 HB2 PHE 59 -1.834 -10.581 14.090 452 HB3 PHE 59 HB3 PHE 59 -1.126 -11.275 15.544 453 HD1 PHE 59 HD1 PHE 59 -1.348 -12.089 11.925 454 HD2 PHE 59 HD2 PHE 59 1.066 -11.891 15.406 455 HE1 PHE 59 HE1 PHE 59 0.601 -12.797 10.605 456 HE2 PHE 59 HE2 PHE 59 3.022 -12.620 14.106 457 HZ PHE 59 HZ PHE 59 2.790 -13.074 11.695 458 H ASP 60 H ASP 60 -2.780 -14.817 13.596 459 HA ASP 60 HA ASP 60 -2.444 -16.963 14.293 460 HB2 ASP 60 HB2 ASP 60 -0.096 -15.734 15.747 461 HB3 ASP 60 HB3 ASP 60 -0.325 -17.454 15.465 462 H GLY 61 H GLY 61 -3.991 -15.065 16.031 463 HA2 GLY 61 HA2 GLY 61 -5.401 -15.651 17.829 464 HA3 GLY 61 HA3 GLY 61 -4.206 -16.823 18.355 465 H ARG 62 H ARG 62 -2.347 -14.256 17.738 466 HA ARG 62 HA ARG 62 -2.425 -13.420 20.534 467 HB2 ARG 62 HB2 ARG 62 -0.192 -12.592 20.256 468 HB3 ARG 62 HB3 ARG 62 -0.257 -14.141 19.433 469 HG2 ARG 62 HG2 ARG 62 0.868 -12.959 17.868 470 HG3 ARG 62 HG3 ARG 62 -0.775 -12.609 17.349 471 HD2 ARG 62 HD2 ARG 62 0.138 -10.512 17.341 472 HD3 ARG 62 HD3 ARG 62 -0.534 -10.575 18.970 473 HE ARG 62 HE ARG 62 2.154 -11.497 18.924 474 HH11 ARG 62 HH11 ARG 62 0.173 -8.618 18.933 475 HH12 ARG 62 HH12 ARG 62 1.452 -7.572 19.476 476 HH21 ARG 62 HH21 ARG 62 3.858 -10.113 19.660 477 HH22 ARG 62 HH22 ARG 62 3.536 -8.431 19.894 478 H ARG 63 H ARG 63 -2.706 -11.287 21.157 479 HA ARG 63 HA ARG 63 -4.626 -9.940 19.637 480 HB2 ARG 63 HB2 ARG 63 -3.161 -9.334 22.165 481 HB3 ARG 63 HB3 ARG 63 -4.142 -8.086 21.417 482 HG2 ARG 63 HG2 ARG 63 -5.398 -9.236 23.131 483 HG3 ARG 63 HG3 ARG 63 -6.096 -9.553 21.544 484 HD2 ARG 63 HD2 ARG 63 -6.048 -11.574 22.902 485 HD3 ARG 63 HD3 ARG 63 -4.997 -11.732 21.497 486 HE ARG 63 HE ARG 63 -3.560 -10.810 23.770 487 HH11 ARG 63 HH11 ARG 63 -4.988 -13.694 22.369 488 HH12 ARG 63 HH12 ARG 63 -3.862 -14.768 23.116 489 HH21 ARG 63 HH21 ARG 63 -2.075 -12.242 24.780 490 HH22 ARG 63 HH22 ARG 63 -2.214 -13.942 24.508 491 H ILE 64 H ILE 64 -4.577 -8.194 18.330 492 HA ILE 64 HA ILE 64 -1.952 -7.017 17.733 493 HB ILE 64 HB ILE 64 -4.580 -6.797 16.233 494 HG12 ILE 64 HG12 ILE 64 -2.095 -8.336 15.464 495 HG13 ILE 64 HG13 ILE 64 -3.510 -9.069 16.214 496 HG21 ILE 64 HG21 ILE 64 -3.071 -4.841 15.976 497 HG22 ILE 64 HG22 ILE 64 -3.303 -5.729 14.469 498 HG23 ILE 64 HG23 ILE 64 -1.812 -5.930 15.389 499 HD11 ILE 64 HD11 ILE 64 -4.866 -8.347 14.307 500 HD12 ILE 64 HD12 ILE 64 -3.548 -9.418 13.837 501 HD13 ILE 64 HD13 ILE 64 -3.420 -7.683 13.547 502 H ASN 65 H ASN 65 -1.532 -5.169 18.747 503 HA ASN 65 HA ASN 65 -3.778 -3.380 19.336 504 HB2 ASN 65 HB2 ASN 65 -1.403 -4.090 21.035 505 HB3 ASN 65 HB3 ASN 65 -2.248 -2.563 21.254 506 HD21 ASN 65 HD21 ASN 65 -2.320 -5.956 21.758 507 HD22 ASN 65 HD22 ASN 65 -3.793 -6.010 22.657 508 H ASP 66 H ASP 66 -3.013 -1.088 19.679 509 HA ASP 66 HA ASP 66 -1.748 -0.263 17.269 510 HB2 ASP 66 HB2 ASP 66 -2.081 2.025 18.142 511 HB3 ASP 66 HB3 ASP 66 -3.547 1.056 18.234 512 H ASP 67 H ASP 67 -0.516 -1.118 20.328 513 HA ASP 67 HA ASP 67 1.802 0.578 20.060 514 HB2 ASP 67 HB2 ASP 67 2.432 -0.301 22.228 515 HB3 ASP 67 HB3 ASP 67 0.806 0.347 22.269 516 H ASP 68 H ASP 68 0.864 -2.280 18.748 517 HA ASP 68 HA ASP 68 3.335 -3.711 19.074 518 HB2 ASP 68 HB2 ASP 68 0.891 -4.196 17.387 519 HB3 ASP 68 HB3 ASP 68 2.335 -5.197 17.258 520 H THR 69 H THR 69 4.953 -3.956 17.639 521 HA THR 69 HA THR 69 5.251 -1.807 15.723 522 HB THR 69 HB THR 69 7.588 -2.578 15.578 523 HG1 THR 69 HG1 THR 69 8.139 -4.278 17.186 524 HG21 THR 69 HG21 THR 69 6.584 -2.359 18.421 525 HG22 THR 69 HG22 THR 69 6.970 -1.005 17.358 526 HG23 THR 69 HG23 THR 69 8.247 -2.097 17.893 527 HA PRO 70 HA PRO 70 4.609 -4.169 12.002 528 HB2 PRO 70 HB2 PRO 70 6.829 -3.459 10.529 529 HB3 PRO 70 HB3 PRO 70 5.387 -2.452 10.691 530 HG2 PRO 70 HG2 PRO 70 7.975 -2.307 12.187 531 HG3 PRO 70 HG3 PRO 70 6.997 -0.989 11.511 532 HD2 PRO 70 HD2 PRO 70 6.928 -1.540 14.111 533 HD3 PRO 70 HD3 PRO 70 5.447 -1.091 13.240 534 H LYS 71 H LYS 71 7.654 -4.386 13.719 535 HA LYS 71 HA LYS 71 8.544 -6.644 12.232 536 HB2 LYS 71 HB2 LYS 71 10.354 -5.365 12.819 537 HB3 LYS 71 HB3 LYS 71 9.636 -4.851 14.333 538 HG2 LYS 71 HG2 LYS 71 10.387 -7.692 14.116 539 HG3 LYS 71 HG3 LYS 71 11.699 -6.510 14.185 540 HD2 LYS 71 HD2 LYS 71 11.296 -6.021 16.342 541 HD3 LYS 71 HD3 LYS 71 9.545 -6.017 16.091 542 HE2 LYS 71 HE2 LYS 71 9.476 -8.383 16.168 543 HE3 LYS 71 HE3 LYS 71 11.236 -8.493 16.294 544 HZ1 LYS 71 HZ1 LYS 71 9.442 -7.242 18.313 545 HZ2 LYS 71 HZ2 LYS 71 11.116 -7.416 18.447 546 HZ3 LYS 71 HZ3 LYS 71 10.125 -8.782 18.438 547 H THR 72 H THR 72 7.067 -5.993 15.396 548 HA THR 72 HA THR 72 7.397 -8.697 16.259 549 HB THR 72 HB THR 72 7.103 -6.678 17.819 550 HG1 THR 72 HG1 THR 72 6.686 -9.145 18.210 551 HG21 THR 72 HG21 THR 72 4.802 -6.132 18.472 552 HG22 THR 72 HG22 THR 72 4.191 -7.182 17.192 553 HG23 THR 72 HG23 THR 72 5.099 -5.728 16.781 554 H LEU 73 H LEU 73 4.877 -6.899 14.587 555 HA LEU 73 HA LEU 73 3.017 -9.086 14.691 556 HB2 LEU 73 HB2 LEU 73 3.026 -6.587 13.002 557 HB3 LEU 73 HB3 LEU 73 1.715 -7.756 13.065 558 HG LEU 73 HG LEU 73 2.673 -6.099 15.398 559 HD11 LEU 73 HD11 LEU 73 0.570 -4.880 15.125 560 HD12 LEU 73 HD12 LEU 73 0.218 -5.816 13.672 561 HD13 LEU 73 HD13 LEU 73 1.602 -4.721 13.703 562 HD21 LEU 73 HD21 LEU 73 1.735 -8.228 16.105 563 HD22 LEU 73 HD22 LEU 73 0.314 -7.959 15.097 564 HD23 LEU 73 HD23 LEU 73 0.620 -6.916 16.486 565 H GLU 74 H GLU 74 5.620 -8.097 12.664 566 HA GLU 74 HA GLU 74 6.631 -9.015 10.846 567 HB2 GLU 74 HB2 GLU 74 6.688 -10.840 12.612 568 HB3 GLU 74 HB3 GLU 74 5.340 -11.582 11.768 569 HG2 GLU 74 HG2 GLU 74 6.696 -11.892 9.797 570 HG3 GLU 74 HG3 GLU 74 8.040 -11.040 10.556 571 H MET 75 H MET 75 4.023 -7.904 10.312 572 HA MET 75 HA MET 75 2.575 -9.684 8.593 573 HB2 MET 75 HB2 MET 75 2.344 -6.689 8.909 574 HB3 MET 75 HB3 MET 75 1.231 -7.706 8.000 575 HG2 MET 75 HG2 MET 75 0.721 -8.924 10.096 576 HG3 MET 75 HG3 MET 75 1.736 -7.777 10.963 577 HE1 MET 75 HE1 MET 75 1.152 -5.279 11.391 578 HE2 MET 75 HE2 MET 75 -0.200 -4.430 10.643 579 HE3 MET 75 HE3 MET 75 1.143 -4.994 9.650 580 H GLU 76 H GLU 76 2.208 -9.366 6.334 581 HA GLU 76 HA GLU 76 4.241 -7.868 4.885 582 HB2 GLU 76 HB2 GLU 76 4.704 -9.779 3.417 583 HB3 GLU 76 HB3 GLU 76 5.165 -10.128 5.076 584 HG2 GLU 76 HG2 GLU 76 3.204 -11.482 5.388 585 HG3 GLU 76 HG3 GLU 76 2.597 -11.031 3.796 586 H ASP 77 H ASP 77 3.660 -8.162 2.413 587 HA ASP 77 HA ASP 77 1.059 -7.122 2.121 588 HB2 ASP 77 HB2 ASP 77 2.908 -6.539 0.605 589 HB3 ASP 77 HB3 ASP 77 2.893 -8.187 -0.020 590 H ASP 78 H ASP 78 -0.733 -8.104 2.124 591 HA ASP 78 HA ASP 78 -2.445 -9.496 1.666 592 HB2 ASP 78 HB2 ASP 78 -1.382 -9.654 -0.611 593 HB3 ASP 78 HB3 ASP 78 -0.552 -11.101 -0.051 594 H ASP 79 H ASP 79 -0.755 -9.744 3.908 595 HA ASP 79 HA ASP 79 -0.281 -12.511 4.485 596 HB2 ASP 79 HB2 ASP 79 0.741 -10.306 5.555 597 HB3 ASP 79 HB3 ASP 79 -0.621 -10.503 6.653 598 H VAL 80 H VAL 80 -1.290 -13.223 6.707 599 HA VAL 80 HA VAL 80 -4.185 -13.143 6.257 600 HB VAL 80 HB VAL 80 -4.228 -15.349 7.437 601 HG11 VAL 80 HG11 VAL 80 -3.241 -16.605 5.532 602 HG12 VAL 80 HG12 VAL 80 -2.522 -15.091 4.967 603 HG13 VAL 80 HG13 VAL 80 -4.276 -15.268 5.029 604 HG21 VAL 80 HG21 VAL 80 -2.170 -15.160 8.699 605 HG22 VAL 80 HG22 VAL 80 -1.238 -15.063 7.208 606 HG23 VAL 80 HG23 VAL 80 -2.075 -16.562 7.629 607 H ILE 81 H ILE 81 -5.548 -12.748 7.852 608 HA ILE 81 HA ILE 81 -4.549 -12.184 10.517 609 HB ILE 81 HB ILE 81 -5.880 -10.307 8.627 610 HG12 ILE 81 HG12 ILE 81 -3.490 -10.120 8.972 611 HG13 ILE 81 HG13 ILE 81 -4.304 -8.693 9.600 612 HG21 ILE 81 HG21 ILE 81 -6.300 -10.179 11.593 613 HG22 ILE 81 HG22 ILE 81 -7.511 -10.284 10.302 614 HG23 ILE 81 HG23 ILE 81 -6.541 -8.827 10.480 615 HD11 ILE 81 HD11 ILE 81 -2.560 -9.340 11.102 616 HD12 ILE 81 HD12 ILE 81 -3.181 -10.985 11.191 617 HD13 ILE 81 HD13 ILE 81 -4.115 -9.653 11.871 618 H GLU 82 H GLU 82 -5.927 -12.666 12.134 619 HA GLU 82 HA GLU 82 -8.275 -14.233 11.317 620 HB2 GLU 82 HB2 GLU 82 -6.772 -14.202 13.927 621 HB3 GLU 82 HB3 GLU 82 -8.031 -15.333 13.465 622 HG2 GLU 82 HG2 GLU 82 -5.370 -15.053 12.097 623 HG3 GLU 82 HG3 GLU 82 -5.778 -16.308 13.274 624 H VAL 83 H VAL 83 -10.273 -13.817 12.150 625 HA VAL 83 HA VAL 83 -10.537 -11.603 14.073 626 HB VAL 83 HB VAL 83 -12.253 -12.057 11.618 627 HG11 VAL 83 HG11 VAL 83 -12.641 -10.070 13.862 628 HG12 VAL 83 HG12 VAL 83 -13.671 -11.464 13.535 629 HG13 VAL 83 HG13 VAL 83 -13.584 -10.141 12.373 630 HG21 VAL 83 HG21 VAL 83 -10.128 -10.866 11.310 631 HG22 VAL 83 HG22 VAL 83 -10.675 -9.673 12.500 632 HG23 VAL 83 HG23 VAL 83 -11.553 -9.882 10.982 633 H TYR 84 H TYR 84 -11.853 -11.980 15.723 634 HA TYR 84 HA TYR 84 -13.371 -14.488 15.715 635 HB2 TYR 84 HB2 TYR 84 -12.395 -12.732 17.949 636 HB3 TYR 84 HB3 TYR 84 -13.589 -13.998 18.203 637 HD1 TYR 84 HD1 TYR 84 -10.125 -13.299 17.306 638 HD2 TYR 84 HD2 TYR 84 -12.945 -16.318 18.207 639 HE1 TYR 84 HE1 TYR 84 -8.284 -14.908 17.548 640 HE2 TYR 84 HE2 TYR 84 -11.122 -17.957 18.455 641 HH TYR 84 HH TYR 84 -8.787 -18.248 17.677 642 H GLN 85 H GLN 85 -15.559 -14.492 16.486 643 HA GLN 85 HA GLN 85 -17.002 -12.341 15.291 644 HB2 GLN 85 HB2 GLN 85 -17.768 -14.684 15.211 645 HB3 GLN 85 HB3 GLN 85 -17.991 -14.666 16.952 646 HG2 GLN 85 HG2 GLN 85 -19.739 -13.010 16.738 647 HG3 GLN 85 HG3 GLN 85 -19.477 -12.932 14.996 648 HE21 GLN 85 HE21 GLN 85 -21.562 -13.570 14.508 649 HE22 GLN 85 HE22 GLN 85 -22.112 -15.191 14.768 650 H GLU 86 H GLU 86 -16.736 -10.499 16.316 651 HA GLU 86 HA GLU 86 -18.113 -9.826 18.644 652 HB2 GLU 86 HB2 GLU 86 -15.136 -10.104 18.802 653 HB3 GLU 86 HB3 GLU 86 -15.959 -8.866 19.745 654 HG2 GLU 86 HG2 GLU 86 -17.330 -10.599 20.764 655 HG3 GLU 86 HG3 GLU 86 -16.428 -11.813 19.851 656 H GLN 87 H GLN 87 -18.399 -7.670 18.782 657 HA GLN 87 HA GLN 87 -17.086 -5.660 17.591 658 HB2 GLN 87 HB2 GLN 87 -18.598 -5.309 15.803 659 HB3 GLN 87 HB3 GLN 87 -17.663 -6.788 15.636 660 HG2 GLN 87 HG2 GLN 87 -19.586 -8.091 16.263 661 HG3 GLN 87 HG3 GLN 87 -20.522 -6.611 16.479 662 HE21 GLN 87 HE21 GLN 87 -20.787 -8.991 14.611 663 HE22 GLN 87 HE22 GLN 87 -20.935 -8.280 13.044 664 H LEU 88 H LEU 88 -19.887 -7.256 18.659 665 HA LEU 88 HA LEU 88 -20.768 -5.499 20.571 666 HB2 LEU 88 HB2 LEU 88 -21.435 -4.100 18.591 667 HB3 LEU 88 HB3 LEU 88 -22.378 -5.450 17.992 668 HG LEU 88 HG LEU 88 -23.818 -5.296 19.999 669 HD11 LEU 88 HD11 LEU 88 -22.169 -2.840 20.572 670 HD12 LEU 88 HD12 LEU 88 -22.253 -4.306 21.547 671 HD13 LEU 88 HD13 LEU 88 -23.671 -3.271 21.389 672 HD21 LEU 88 HD21 LEU 88 -24.472 -4.199 17.927 673 HD22 LEU 88 HD22 LEU 88 -23.565 -2.759 18.389 674 HD23 LEU 88 HD23 LEU 88 -24.978 -3.248 19.324 675 H GLY 89 H GLY 89 -21.472 -7.672 17.963 676 HA2 GLY 89 HA2 GLY 89 -21.396 -10.036 19.018 677 HA3 GLY 89 HA3 GLY 89 -22.902 -9.499 19.776 678 H GLY 90 H GLY 90 -21.342 -10.622 16.939 679 HA2 GLY 90 HA2 GLY 90 -23.525 -11.714 15.725 680 HA3 GLY 90 HA3 GLY 90 -23.441 -10.066 15.104 Start of MODEL 11 1 H MET 1 H MET 1 26.416 5.165 -19.797 2 HA MET 1 HA MET 1 24.857 4.294 -18.198 3 HB2 MET 1 HB2 MET 1 23.929 6.801 -19.620 4 HB3 MET 1 HB3 MET 1 23.363 6.299 -18.034 5 HG2 MET 1 HG2 MET 1 25.632 6.490 -17.160 6 HG3 MET 1 HG3 MET 1 26.207 6.979 -18.753 7 HE1 MET 1 HE1 MET 1 27.329 9.146 -17.712 8 HE2 MET 1 HE2 MET 1 26.776 8.662 -16.108 9 HE3 MET 1 HE3 MET 1 26.470 10.297 -16.689 10 H ALA 2 H ALA 2 22.642 3.849 -17.659 11 HA ALA 2 HA ALA 2 20.974 3.150 -19.969 12 HB1 ALA 2 HB1 ALA 2 20.423 1.007 -18.948 13 HB2 ALA 2 HB2 ALA 2 21.526 1.346 -17.616 14 HB3 ALA 2 HB3 ALA 2 22.157 1.130 -19.248 15 H ASP 3 H ASP 3 18.740 2.963 -19.475 16 HA ASP 3 HA ASP 3 17.839 4.943 -17.633 17 HB2 ASP 3 HB2 ASP 3 16.249 2.863 -19.156 18 HB3 ASP 3 HB3 ASP 3 15.577 4.256 -18.325 19 H ASP 4 H ASP 4 16.291 4.563 -15.921 20 HA ASP 4 HA ASP 4 17.052 2.530 -14.116 21 HB2 ASP 4 HB2 ASP 4 14.600 4.301 -14.185 22 HB3 ASP 4 HB3 ASP 4 14.967 3.199 -12.862 23 H ALA 5 H ALA 5 14.552 2.848 -16.492 24 HA ALA 5 HA ALA 5 13.440 1.305 -17.705 25 HB1 ALA 5 HB1 ALA 5 15.386 -0.166 -17.538 26 HB2 ALA 5 HB2 ALA 5 13.872 -1.071 -17.522 27 HB3 ALA 5 HB3 ALA 5 14.757 -0.807 -16.022 28 H ALA 6 H ALA 6 13.445 -0.199 -14.555 29 HA ALA 6 HA ALA 6 10.517 0.092 -14.595 30 HB1 ALA 6 HB1 ALA 6 11.189 -2.220 -15.006 31 HB2 ALA 6 HB2 ALA 6 10.299 -2.050 -13.493 32 HB3 ALA 6 HB3 ALA 6 12.053 -2.236 -13.470 33 H GLN 7 H GLN 7 9.855 1.426 -13.113 34 HA GLN 7 HA GLN 7 10.865 1.135 -10.383 35 HB2 GLN 7 HB2 GLN 7 10.464 3.756 -11.823 36 HB3 GLN 7 HB3 GLN 7 10.562 3.615 -10.076 37 HG2 GLN 7 HG2 GLN 7 12.826 2.800 -10.223 38 HG3 GLN 7 HG3 GLN 7 12.736 2.762 -11.984 39 HE21 GLN 7 HE21 GLN 7 14.543 4.195 -10.176 40 HE22 GLN 7 HE22 GLN 7 14.413 5.865 -10.605 41 H ALA 8 H ALA 8 9.376 1.887 -8.788 42 HA ALA 8 HA ALA 8 6.627 1.842 -9.748 43 HB1 ALA 8 HB1 ALA 8 7.763 1.232 -7.010 44 HB2 ALA 8 HB2 ALA 8 7.164 0.045 -8.169 45 HB3 ALA 8 HB3 ALA 8 6.052 1.201 -7.436 46 H GLY 9 H GLY 9 5.671 3.748 -9.742 47 HA2 GLY 9 HA2 GLY 9 6.977 6.056 -8.777 48 HA3 GLY 9 HA3 GLY 9 5.314 5.977 -9.356 49 H ASP 10 H ASP 10 5.221 3.722 -7.287 50 HA ASP 10 HA ASP 10 4.193 3.441 -5.277 51 HB2 ASP 10 HB2 ASP 10 6.563 4.033 -4.617 52 HB3 ASP 10 HB3 ASP 10 6.001 5.678 -4.330 53 H ASN 11 H ASN 11 2.343 4.351 -6.437 54 HA ASN 11 HA ASN 11 1.603 7.086 -5.738 55 HB2 ASN 11 HB2 ASN 11 0.302 5.111 -7.619 56 HB3 ASN 11 HB3 ASN 11 -0.221 6.773 -7.378 57 HD21 ASN 11 HD21 ASN 11 1.080 8.461 -8.163 58 HD22 ASN 11 HD22 ASN 11 2.286 8.182 -9.366 59 H ALA 12 H ALA 12 1.471 4.537 -4.000 60 HA ALA 12 HA ALA 12 -1.098 5.211 -2.860 61 HB1 ALA 12 HB1 ALA 12 -1.577 3.422 -4.407 62 HB2 ALA 12 HB2 ALA 12 -1.763 2.885 -2.728 63 HB3 ALA 12 HB3 ALA 12 -0.327 2.431 -3.655 64 H GLU 13 H GLU 13 -1.187 4.798 -0.682 65 HA GLU 13 HA GLU 13 1.232 3.693 0.512 66 HB2 GLU 13 HB2 GLU 13 -0.202 6.178 1.408 67 HB3 GLU 13 HB3 GLU 13 1.197 5.466 2.208 68 HG2 GLU 13 HG2 GLU 13 2.552 5.904 0.254 69 HG3 GLU 13 HG3 GLU 13 1.143 6.542 -0.591 70 H TYR 14 H TYR 14 -1.525 2.928 -0.011 71 HA TYR 14 HA TYR 14 -2.112 1.923 2.657 72 HB2 TYR 14 HB2 TYR 14 -4.184 3.179 0.858 73 HB3 TYR 14 HB3 TYR 14 -4.518 2.341 2.366 74 HD1 TYR 14 HD1 TYR 14 -3.408 5.429 0.839 75 HD2 TYR 14 HD2 TYR 14 -3.779 3.338 4.520 76 HE1 TYR 14 HE1 TYR 14 -3.141 7.548 2.058 77 HE2 TYR 14 HE2 TYR 14 -3.516 5.452 5.753 78 HH TYR 14 HH TYR 14 -2.492 7.702 5.344 79 H ILE 15 H ILE 15 -3.564 0.135 2.652 80 HA ILE 15 HA ILE 15 -3.476 -1.438 0.173 81 HB ILE 15 HB ILE 15 -2.941 -3.396 1.426 82 HG12 ILE 15 HG12 ILE 15 -3.326 -1.694 3.881 83 HG13 ILE 15 HG13 ILE 15 -4.355 -3.009 3.299 84 HG21 ILE 15 HG21 ILE 15 -1.232 -1.162 2.444 85 HG22 ILE 15 HG22 ILE 15 -1.030 -2.022 0.918 86 HG23 ILE 15 HG23 ILE 15 -0.807 -2.873 2.448 87 HD11 ILE 15 HD11 ILE 15 -2.596 -4.604 3.708 88 HD12 ILE 15 HD12 ILE 15 -2.955 -3.689 5.179 89 HD13 ILE 15 HD13 ILE 15 -1.512 -3.310 4.234 90 H LYS 16 H LYS 16 -5.132 -3.131 0.246 91 HA LYS 16 HA LYS 16 -7.529 -2.169 1.623 92 HB2 LYS 16 HB2 LYS 16 -7.415 -2.319 -0.886 93 HB3 LYS 16 HB3 LYS 16 -7.360 -4.054 -0.673 94 HG2 LYS 16 HG2 LYS 16 -9.512 -4.127 0.296 95 HG3 LYS 16 HG3 LYS 16 -9.595 -2.355 0.371 96 HD2 LYS 16 HD2 LYS 16 -10.926 -3.211 -1.491 97 HD3 LYS 16 HD3 LYS 16 -9.556 -2.273 -2.083 98 HE2 LYS 16 HE2 LYS 16 -8.327 -4.313 -2.539 99 HE3 LYS 16 HE3 LYS 16 -9.643 -5.280 -1.882 100 HZ1 LYS 16 HZ1 LYS 16 -9.675 -5.207 -4.297 101 HZ2 LYS 16 HZ2 LYS 16 -9.823 -3.527 -4.271 102 HZ3 LYS 16 HZ3 LYS 16 -11.064 -4.493 -3.654 103 H ILE 17 H ILE 17 -8.633 -3.537 2.904 104 HA ILE 17 HA ILE 17 -7.754 -6.317 3.015 105 HB ILE 17 HB ILE 17 -8.111 -4.555 5.440 106 HG12 ILE 17 HG12 ILE 17 -5.719 -6.129 4.458 107 HG13 ILE 17 HG13 ILE 17 -5.922 -4.386 4.306 108 HG21 ILE 17 HG21 ILE 17 -9.112 -6.691 5.907 109 HG22 ILE 17 HG22 ILE 17 -7.539 -6.633 6.707 110 HG23 ILE 17 HG23 ILE 17 -7.732 -7.540 5.212 111 HD11 ILE 17 HD11 ILE 17 -5.993 -4.228 6.764 112 HD12 ILE 17 HD12 ILE 17 -4.472 -4.876 6.152 113 HD13 ILE 17 HD13 ILE 17 -5.672 -5.958 6.857 114 H LYS 18 H LYS 18 -9.322 -7.775 3.144 115 HA LYS 18 HA LYS 18 -12.048 -6.731 3.340 116 HB2 LYS 18 HB2 LYS 18 -11.646 -9.597 2.777 117 HB3 LYS 18 HB3 LYS 18 -12.727 -8.447 2.023 118 HG2 LYS 18 HG2 LYS 18 -10.648 -7.544 0.758 119 HG3 LYS 18 HG3 LYS 18 -9.847 -8.981 1.380 120 HD2 LYS 18 HD2 LYS 18 -12.372 -9.012 -0.248 121 HD3 LYS 18 HD3 LYS 18 -10.748 -9.311 -0.870 122 HE2 LYS 18 HE2 LYS 18 -10.532 -11.230 0.634 123 HE3 LYS 18 HE3 LYS 18 -12.157 -10.929 1.251 124 HZ1 LYS 18 HZ1 LYS 18 -12.071 -12.676 -0.444 125 HZ2 LYS 18 HZ2 LYS 18 -11.519 -11.545 -1.575 126 HZ3 LYS 18 HZ3 LYS 18 -13.057 -11.383 -0.900 127 H VAL 19 H VAL 19 -12.654 -6.643 5.406 128 HA VAL 19 HA VAL 19 -11.778 -8.555 7.374 129 HB VAL 19 HB VAL 19 -13.790 -6.292 7.531 130 HG11 VAL 19 HG11 VAL 19 -14.200 -8.028 9.205 131 HG12 VAL 19 HG12 VAL 19 -13.672 -6.511 9.927 132 HG13 VAL 19 HG13 VAL 19 -12.541 -7.855 9.776 133 HG21 VAL 19 HG21 VAL 19 -12.034 -5.079 8.753 134 HG22 VAL 19 HG22 VAL 19 -11.549 -5.462 7.100 135 HG23 VAL 19 HG23 VAL 19 -10.916 -6.411 8.446 136 H VAL 20 H VAL 20 -12.789 -10.473 7.637 137 HA VAL 20 HA VAL 20 -15.600 -10.667 6.804 138 HB VAL 20 HB VAL 20 -13.565 -12.892 7.101 139 HG11 VAL 20 HG11 VAL 20 -15.252 -14.301 6.025 140 HG12 VAL 20 HG12 VAL 20 -16.381 -12.947 6.022 141 HG13 VAL 20 HG13 VAL 20 -15.837 -13.637 7.550 142 HG21 VAL 20 HG21 VAL 20 -14.693 -11.624 4.604 143 HG22 VAL 20 HG22 VAL 20 -13.636 -13.033 4.652 144 HG23 VAL 20 HG23 VAL 20 -13.040 -11.466 5.196 145 H GLY 21 H GLY 21 -16.989 -10.704 8.401 146 HA2 GLY 21 HA2 GLY 21 -16.119 -11.344 11.098 147 HA3 GLY 21 HA3 GLY 21 -17.686 -10.708 10.639 148 H GLN 22 H GLN 22 -17.661 -12.614 12.482 149 HA GLN 22 HA GLN 22 -17.699 -15.261 11.480 150 HB2 GLN 22 HB2 GLN 22 -18.772 -14.076 14.027 151 HB3 GLN 22 HB3 GLN 22 -18.841 -15.792 13.665 152 HG2 GLN 22 HG2 GLN 22 -16.332 -14.142 13.867 153 HG3 GLN 22 HG3 GLN 22 -16.955 -15.219 15.116 154 HE21 GLN 22 HE21 GLN 22 -16.779 -17.431 14.844 155 HE22 GLN 22 HE22 GLN 22 -15.770 -18.144 13.640 156 H ASP 23 H ASP 23 -20.053 -12.797 11.682 157 HA ASP 23 HA ASP 23 -22.265 -14.572 11.167 158 HB2 ASP 23 HB2 ASP 23 -23.594 -12.513 11.027 159 HB3 ASP 23 HB3 ASP 23 -22.635 -12.571 12.499 160 H SER 24 H SER 24 -19.831 -14.025 9.409 161 HA SER 24 HA SER 24 -19.349 -14.339 7.205 162 HB2 SER 24 HB2 SER 24 -21.385 -15.775 7.100 163 HB3 SER 24 HB3 SER 24 -22.349 -14.346 6.735 164 HG SER 24 HG SER 24 -20.918 -14.083 4.876 165 H ASN 25 H ASN 25 -19.794 -11.782 8.542 166 HA ASN 25 HA ASN 25 -20.708 -10.061 6.367 167 HB2 ASN 25 HB2 ASN 25 -21.481 -9.551 8.613 168 HB3 ASN 25 HB3 ASN 25 -19.820 -9.321 9.155 169 HD21 ASN 25 HD21 ASN 25 -20.170 -7.201 9.749 170 HD22 ASN 25 HD22 ASN 25 -20.406 -5.931 8.600 171 H GLU 26 H GLU 26 -19.258 -9.831 4.849 172 HA GLU 26 HA GLU 26 -16.495 -9.227 5.590 173 HB2 GLU 26 HB2 GLU 26 -16.641 -10.926 3.910 174 HB3 GLU 26 HB3 GLU 26 -17.718 -9.946 2.917 175 HG2 GLU 26 HG2 GLU 26 -15.834 -8.329 2.627 176 HG3 GLU 26 HG3 GLU 26 -14.799 -9.448 3.508 177 H VAL 27 H VAL 27 -15.690 -7.280 5.431 178 HA VAL 27 HA VAL 27 -17.150 -5.253 3.901 179 HB VAL 27 HB VAL 27 -17.737 -4.934 6.262 180 HG11 VAL 27 HG11 VAL 27 -15.811 -6.000 7.274 181 HG12 VAL 27 HG12 VAL 27 -16.052 -4.378 7.924 182 HG13 VAL 27 HG13 VAL 27 -14.785 -4.672 6.731 183 HG21 VAL 27 HG21 VAL 27 -15.808 -2.849 5.255 184 HG22 VAL 27 HG22 VAL 27 -17.009 -2.604 6.525 185 HG23 VAL 27 HG23 VAL 27 -17.527 -2.953 4.876 186 H HIS 28 H HIS 28 -15.885 -3.743 2.900 187 HA HIS 28 HA HIS 28 -13.097 -4.593 2.669 188 HB2 HIS 28 HB2 HIS 28 -14.814 -2.907 0.852 189 HB3 HIS 28 HB3 HIS 28 -13.137 -3.343 0.529 190 HD2 HIS 28 HD2 HIS 28 -13.945 -6.580 1.640 191 HE1 HIS 28 HE1 HIS 28 -15.993 -6.527 -2.070 192 HE2 HIS 28 HE2 HIS 28 -15.199 -7.959 -0.147 193 H PHE 29 H PHE 29 -11.804 -3.531 3.960 194 HA PHE 29 HA PHE 29 -12.200 -0.643 4.287 195 HB2 PHE 29 HB2 PHE 29 -11.064 -2.716 6.102 196 HB3 PHE 29 HB3 PHE 29 -10.535 -1.056 6.260 197 HD1 PHE 29 HD1 PHE 29 -12.865 -3.428 7.362 198 HD2 PHE 29 HD2 PHE 29 -12.510 0.696 6.377 199 HE1 PHE 29 HE1 PHE 29 -14.823 -2.922 8.751 200 HE2 PHE 29 HE2 PHE 29 -14.472 1.202 7.767 201 HZ PHE 29 HZ PHE 29 -15.628 -0.611 8.959 202 H ARG 30 H ARG 30 -10.539 0.741 4.093 203 HA ARG 30 HA ARG 30 -8.151 -0.303 2.747 204 HB2 ARG 30 HB2 ARG 30 -9.556 1.336 1.503 205 HB3 ARG 30 HB3 ARG 30 -9.246 2.518 2.773 206 HG2 ARG 30 HG2 ARG 30 -7.721 3.065 1.092 207 HG3 ARG 30 HG3 ARG 30 -6.777 2.145 2.247 208 HD2 ARG 30 HD2 ARG 30 -6.886 0.175 0.906 209 HD3 ARG 30 HD3 ARG 30 -8.049 0.916 -0.188 210 HE ARG 30 HE ARG 30 -5.727 2.485 -0.154 211 HH11 ARG 30 HH11 ARG 30 -6.822 -0.635 -1.292 212 HH12 ARG 30 HH12 ARG 30 -5.669 -0.721 -2.579 213 HH21 ARG 30 HH21 ARG 30 -4.188 2.372 -1.874 214 HH22 ARG 30 HH22 ARG 30 -4.173 0.982 -2.904 215 H VAL 31 H VAL 31 -6.425 -0.335 3.966 216 HA VAL 31 HA VAL 31 -6.098 1.632 6.130 217 HB VAL 31 HB VAL 31 -5.212 -0.060 7.647 218 HG11 VAL 31 HG11 VAL 31 -7.973 -0.749 6.652 219 HG12 VAL 31 HG12 VAL 31 -7.567 0.488 7.842 220 HG13 VAL 31 HG13 VAL 31 -7.302 -1.216 8.214 221 HG21 VAL 31 HG21 VAL 31 -5.401 -2.426 7.190 222 HG22 VAL 31 HG22 VAL 31 -4.410 -1.641 5.959 223 HG23 VAL 31 HG23 VAL 31 -6.079 -2.087 5.597 224 H LYS 32 H LYS 32 -3.771 1.403 6.996 225 HA LYS 32 HA LYS 32 -2.066 1.611 4.651 226 HB2 LYS 32 HB2 LYS 32 -2.172 3.338 6.520 227 HB3 LYS 32 HB3 LYS 32 -1.362 2.153 7.523 228 HG2 LYS 32 HG2 LYS 32 0.554 2.153 6.077 229 HG3 LYS 32 HG3 LYS 32 -0.249 3.244 4.955 230 HD2 LYS 32 HD2 LYS 32 1.290 4.501 6.315 231 HD3 LYS 32 HD3 LYS 32 -0.361 4.950 6.744 232 HE2 LYS 32 HE2 LYS 32 -0.256 3.500 8.701 233 HE3 LYS 32 HE3 LYS 32 1.368 2.986 8.253 234 HZ1 LYS 32 HZ1 LYS 32 0.548 5.736 9.017 235 HZ2 LYS 32 HZ2 LYS 32 2.099 5.292 8.522 236 HZ3 LYS 32 HZ3 LYS 32 1.460 4.666 9.954 237 H TYR 33 H TYR 33 -0.009 0.497 4.535 238 HA TYR 33 HA TYR 33 0.117 -2.185 5.249 239 HB2 TYR 33 HB2 TYR 33 2.327 -0.176 4.827 240 HB3 TYR 33 HB3 TYR 33 2.654 -1.879 5.078 241 HD1 TYR 33 HD1 TYR 33 1.441 0.665 2.735 242 HD2 TYR 33 HD2 TYR 33 2.197 -3.487 3.303 243 HE1 TYR 33 HE1 TYR 33 1.325 0.314 0.299 244 HE2 TYR 33 HE2 TYR 33 2.075 -3.850 0.875 245 HH TYR 33 HH TYR 33 1.129 -2.803 -1.098 246 H GLY 34 H GLY 34 1.206 0.687 6.983 247 HA2 GLY 34 HA2 GLY 34 2.164 -0.932 9.215 248 HA3 GLY 34 HA3 GLY 34 2.484 0.778 8.967 249 H THR 35 H THR 35 -0.746 -0.443 8.569 250 HA THR 35 HA THR 35 -1.736 1.307 10.501 251 HB THR 35 HB THR 35 -2.831 -0.634 8.603 252 HG1 THR 35 HG1 THR 35 -3.106 2.019 9.298 253 HG21 THR 35 HG21 THR 35 -3.869 -1.531 10.597 254 HG22 THR 35 HG22 THR 35 -5.077 -0.673 9.635 255 HG23 THR 35 HG23 THR 35 -4.397 0.079 11.081 256 H SER 36 H SER 36 -2.433 1.013 12.522 257 HA SER 36 HA SER 36 -1.561 -1.391 13.903 258 HB2 SER 36 HB2 SER 36 -2.610 1.242 14.960 259 HB3 SER 36 HB3 SER 36 -1.948 -0.070 15.937 260 HG SER 36 HG SER 36 -0.139 0.394 14.124 261 H MET 37 H MET 37 -3.027 -2.380 15.508 262 HA MET 37 HA MET 37 -5.356 -3.311 14.342 263 HB2 MET 37 HB2 MET 37 -5.901 -4.343 16.440 264 HB3 MET 37 HB3 MET 37 -4.159 -4.401 16.230 265 HG2 MET 37 HG2 MET 37 -3.871 -2.558 17.758 266 HG3 MET 37 HG3 MET 37 -5.616 -2.377 17.912 267 HE1 MET 37 HE1 MET 37 -4.633 -3.695 21.437 268 HE2 MET 37 HE2 MET 37 -5.392 -2.404 20.505 269 HE3 MET 37 HE3 MET 37 -3.647 -2.636 20.430 270 H ALA 38 H ALA 38 -4.996 -0.496 16.415 271 HA ALA 38 HA ALA 38 -7.674 -0.210 17.176 272 HB1 ALA 38 HB1 ALA 38 -7.125 2.060 17.786 273 HB2 ALA 38 HB2 ALA 38 -5.623 1.965 16.867 274 HB3 ALA 38 HB3 ALA 38 -5.849 0.956 18.299 275 H LYS 39 H LYS 39 -5.984 0.818 14.290 276 HA LYS 39 HA LYS 39 -7.776 2.804 13.446 277 HB2 LYS 39 HB2 LYS 39 -6.107 0.971 11.703 278 HB3 LYS 39 HB3 LYS 39 -6.812 2.504 11.225 279 HG2 LYS 39 HG2 LYS 39 -4.681 2.141 13.322 280 HG3 LYS 39 HG3 LYS 39 -4.434 2.741 11.683 281 HD2 LYS 39 HD2 LYS 39 -5.893 4.650 12.178 282 HD3 LYS 39 HD3 LYS 39 -6.121 4.043 13.820 283 HE2 LYS 39 HE2 LYS 39 -3.693 4.232 14.193 284 HE3 LYS 39 HE3 LYS 39 -3.513 4.904 12.577 285 HZ1 LYS 39 HZ1 LYS 39 -5.121 6.105 14.759 286 HZ2 LYS 39 HZ2 LYS 39 -4.898 6.759 13.218 287 HZ3 LYS 39 HZ3 LYS 39 -3.589 6.625 14.275 288 H LEU 40 H LEU 40 -7.736 -0.674 12.919 289 HA LEU 40 HA LEU 40 -10.114 -0.522 11.258 290 HB2 LEU 40 HB2 LEU 40 -9.890 -3.033 11.173 291 HB3 LEU 40 HB3 LEU 40 -8.629 -2.097 10.413 292 HG LEU 40 HG LEU 40 -8.161 -3.043 13.220 293 HD11 LEU 40 HD11 LEU 40 -7.343 -5.184 12.378 294 HD12 LEU 40 HD12 LEU 40 -7.944 -4.785 10.767 295 HD13 LEU 40 HD13 LEU 40 -9.076 -5.009 12.101 296 HD21 LEU 40 HD21 LEU 40 -5.876 -3.220 12.376 297 HD22 LEU 40 HD22 LEU 40 -6.536 -1.614 12.063 298 HD23 LEU 40 HD23 LEU 40 -6.433 -2.792 10.759 299 H LYS 41 H LYS 41 -9.165 -1.846 14.381 300 HA LYS 41 HA LYS 41 -11.589 -3.138 14.950 301 HB2 LYS 41 HB2 LYS 41 -9.444 -2.026 16.726 302 HB3 LYS 41 HB3 LYS 41 -10.783 -3.004 17.304 303 HG2 LYS 41 HG2 LYS 41 -10.058 -4.876 16.044 304 HG3 LYS 41 HG3 LYS 41 -8.839 -3.910 15.212 305 HD2 LYS 41 HD2 LYS 41 -7.747 -5.169 16.889 306 HD3 LYS 41 HD3 LYS 41 -7.793 -3.475 17.386 307 HE2 LYS 41 HE2 LYS 41 -9.665 -3.922 18.872 308 HE3 LYS 41 HE3 LYS 41 -9.729 -5.598 18.330 309 HZ1 LYS 41 HZ1 LYS 41 -7.485 -5.895 19.250 310 HZ2 LYS 41 HZ2 LYS 41 -8.622 -5.472 20.421 311 HZ3 LYS 41 HZ3 LYS 41 -7.534 -4.312 19.857 312 H LYS 42 H LYS 42 -10.389 0.028 15.879 313 HA LYS 42 HA LYS 42 -12.681 0.809 17.301 314 HB2 LYS 42 HB2 LYS 42 -10.575 2.064 17.415 315 HB3 LYS 42 HB3 LYS 42 -10.761 2.533 15.731 316 HG2 LYS 42 HG2 LYS 42 -12.773 3.796 16.296 317 HG3 LYS 42 HG3 LYS 42 -12.605 3.311 17.984 318 HD2 LYS 42 HD2 LYS 42 -11.728 5.544 17.705 319 HD3 LYS 42 HD3 LYS 42 -10.398 4.437 18.044 320 HE2 LYS 42 HE2 LYS 42 -9.757 5.958 16.280 321 HE3 LYS 42 HE3 LYS 42 -9.907 4.329 15.627 322 HZ1 LYS 42 HZ1 LYS 42 -10.907 5.926 14.151 323 HZ2 LYS 42 HZ2 LYS 42 -11.908 6.509 15.378 324 HZ3 LYS 42 HZ3 LYS 42 -12.121 4.941 14.793 325 H SER 43 H SER 43 -11.823 0.994 13.924 326 HA SER 43 HA SER 43 -13.993 2.594 13.084 327 HB2 SER 43 HB2 SER 43 -11.972 2.310 11.731 328 HB3 SER 43 HB3 SER 43 -12.312 0.597 11.538 329 HG SER 43 HG SER 43 -13.467 2.798 10.298 330 H TYR 44 H TYR 44 -13.491 -0.923 12.959 331 HA TYR 44 HA TYR 44 -16.064 -1.521 11.943 332 HB2 TYR 44 HB2 TYR 44 -14.031 -2.913 11.742 333 HB3 TYR 44 HB3 TYR 44 -14.151 -3.251 13.458 334 HD1 TYR 44 HD1 TYR 44 -15.457 -4.031 10.155 335 HD2 TYR 44 HD2 TYR 44 -15.958 -4.659 14.322 336 HE1 TYR 44 HE1 TYR 44 -16.881 -5.973 9.674 337 HE2 TYR 44 HE2 TYR 44 -17.382 -6.612 13.864 338 HH TYR 44 HH TYR 44 -18.782 -7.481 12.042 339 H ALA 45 H ALA 45 -14.700 -1.702 15.199 340 HA ALA 45 HA ALA 45 -16.947 -2.839 16.413 341 HB1 ALA 45 HB1 ALA 45 -14.771 -2.721 17.517 342 HB2 ALA 45 HB2 ALA 45 -16.037 -2.020 18.527 343 HB3 ALA 45 HB3 ALA 45 -14.929 -0.969 17.645 344 H ASP 46 H ASP 46 -16.124 0.406 15.607 345 HA ASP 46 HA ASP 46 -18.144 1.693 17.172 346 HB2 ASP 46 HB2 ASP 46 -16.186 2.907 16.320 347 HB3 ASP 46 HB3 ASP 46 -16.781 2.707 14.676 348 H ARG 47 H ARG 47 -17.990 0.698 13.780 349 HA ARG 47 HA ARG 47 -20.537 1.740 13.093 350 HB2 ARG 47 HB2 ARG 47 -20.284 0.614 10.991 351 HB3 ARG 47 HB3 ARG 47 -18.703 1.216 11.465 352 HG2 ARG 47 HG2 ARG 47 -18.083 -1.011 12.236 353 HG3 ARG 47 HG3 ARG 47 -19.662 -1.617 11.733 354 HD2 ARG 47 HD2 ARG 47 -17.599 -0.364 9.926 355 HD3 ARG 47 HD3 ARG 47 -17.923 -2.090 10.082 356 HE ARG 47 HE ARG 47 -20.333 -1.155 9.413 357 HH11 ARG 47 HH11 ARG 47 -17.189 -0.461 8.035 358 HH12 ARG 47 HH12 ARG 47 -17.785 -0.281 6.424 359 HH21 ARG 47 HH21 ARG 47 -21.130 -0.919 7.292 360 HH22 ARG 47 HH22 ARG 47 -20.045 -0.561 5.991 361 H THR 48 H THR 48 -19.543 -1.194 14.617 362 HA THR 48 HA THR 48 -22.150 -2.399 14.129 363 HB THR 48 HB THR 48 -20.192 -3.833 13.756 364 HG1 THR 48 HG1 THR 48 -21.827 -5.113 14.301 365 HG21 THR 48 HG21 THR 48 -18.636 -2.935 15.351 366 HG22 THR 48 HG22 THR 48 -18.879 -4.650 15.695 367 HG23 THR 48 HG23 THR 48 -19.665 -3.428 16.698 368 H GLY 49 H GLY 49 -20.722 -0.429 16.425 369 HA2 GLY 49 HA2 GLY 49 -21.593 0.411 18.395 370 HA3 GLY 49 HA3 GLY 49 -22.987 -0.632 18.170 371 H VAL 50 H VAL 50 -19.694 -1.783 18.304 372 HA VAL 50 HA VAL 50 -20.291 -3.082 20.877 373 HB VAL 50 HB VAL 50 -18.693 -4.194 18.553 374 HG11 VAL 50 HG11 VAL 50 -18.387 -6.200 19.905 375 HG12 VAL 50 HG12 VAL 50 -19.211 -5.429 21.259 376 HG13 VAL 50 HG13 VAL 50 -17.662 -4.799 20.690 377 HG21 VAL 50 HG21 VAL 50 -20.415 -5.928 18.488 378 HG22 VAL 50 HG22 VAL 50 -21.111 -4.327 18.238 379 HG23 VAL 50 HG23 VAL 50 -21.276 -5.126 19.801 380 H ALA 51 H ALA 51 -18.616 -3.249 22.375 381 HA ALA 51 HA ALA 51 -16.742 -1.246 22.628 382 HB1 ALA 51 HB1 ALA 51 -17.405 -2.694 24.480 383 HB2 ALA 51 HB2 ALA 51 -15.652 -2.701 24.297 384 HB3 ALA 51 HB3 ALA 51 -16.606 -4.068 23.718 385 H VAL 52 H VAL 52 -14.749 -0.882 21.910 386 HA VAL 52 HA VAL 52 -13.809 -2.099 19.566 387 HB VAL 52 HB VAL 52 -12.366 -0.323 21.546 388 HG11 VAL 52 HG11 VAL 52 -11.524 -1.095 18.756 389 HG12 VAL 52 HG12 VAL 52 -10.730 -1.573 20.257 390 HG13 VAL 52 HG13 VAL 52 -10.742 0.121 19.766 391 HG21 VAL 52 HG21 VAL 52 -13.745 0.277 18.933 392 HG22 VAL 52 HG22 VAL 52 -12.794 1.436 19.862 393 HG23 VAL 52 HG23 VAL 52 -14.274 0.761 20.544 394 H ASN 53 H ASN 53 -12.761 -2.421 22.920 395 HA ASN 53 HA ASN 53 -10.650 -4.247 22.334 396 HB2 ASN 53 HB2 ASN 53 -12.036 -3.517 24.907 397 HB3 ASN 53 HB3 ASN 53 -10.733 -4.701 24.836 398 HD21 ASN 53 HD21 ASN 53 -10.817 -2.152 26.207 399 HD22 ASN 53 HD22 ASN 53 -9.505 -1.216 25.573 400 H SER 54 H SER 54 -14.024 -4.581 22.740 401 HA SER 54 HA SER 54 -13.981 -7.385 23.362 402 HB2 SER 54 HB2 SER 54 -16.199 -5.544 22.502 403 HB3 SER 54 HB3 SER 54 -16.429 -7.219 22.991 404 HG SER 54 HG SER 54 -15.270 -6.509 25.001 405 H LEU 55 H LEU 55 -13.568 -5.556 20.581 406 HA LEU 55 HA LEU 55 -14.519 -7.644 18.795 407 HB2 LEU 55 HB2 LEU 55 -14.104 -4.829 18.605 408 HB3 LEU 55 HB3 LEU 55 -13.047 -5.605 17.447 409 HG LEU 55 HG LEU 55 -15.053 -5.024 16.324 410 HD11 LEU 55 HD11 LEU 55 -15.126 -7.972 16.919 411 HD12 LEU 55 HD12 LEU 55 -14.108 -7.180 15.718 412 HD13 LEU 55 HD13 LEU 55 -15.860 -7.167 15.532 413 HD21 LEU 55 HD21 LEU 55 -17.254 -5.830 17.035 414 HD22 LEU 55 HD22 LEU 55 -16.517 -4.754 18.223 415 HD23 LEU 55 HD23 LEU 55 -16.524 -6.495 18.495 416 H ARG 56 H ARG 56 -13.183 -9.094 17.889 417 HA ARG 56 HA ARG 56 -10.316 -8.724 18.407 418 HB2 ARG 56 HB2 ARG 56 -12.005 -11.177 18.700 419 HB3 ARG 56 HB3 ARG 56 -10.300 -11.334 18.319 420 HG2 ARG 56 HG2 ARG 56 -10.362 -11.528 20.631 421 HG3 ARG 56 HG3 ARG 56 -9.908 -9.844 20.379 422 HD2 ARG 56 HD2 ARG 56 -11.584 -9.996 22.119 423 HD3 ARG 56 HD3 ARG 56 -12.263 -9.190 20.706 424 HE ARG 56 HE ARG 56 -13.704 -10.955 20.402 425 HH11 ARG 56 HH11 ARG 56 -11.334 -11.809 22.852 426 HH12 ARG 56 HH12 ARG 56 -12.157 -13.250 23.333 427 HH21 ARG 56 HH21 ARG 56 -14.804 -12.877 21.044 428 HH22 ARG 56 HH22 ARG 56 -14.136 -13.858 22.305 429 H PHE 57 H PHE 57 -9.283 -8.367 16.652 430 HA PHE 57 HA PHE 57 -10.190 -9.619 14.164 431 HB2 PHE 57 HB2 PHE 57 -8.506 -7.186 14.717 432 HB3 PHE 57 HB3 PHE 57 -8.637 -7.923 13.124 433 HD1 PHE 57 HD1 PHE 57 -10.820 -6.640 15.855 434 HD2 PHE 57 HD2 PHE 57 -10.212 -7.166 11.696 435 HE1 PHE 57 HE1 PHE 57 -12.847 -5.331 15.395 436 HE2 PHE 57 HE2 PHE 57 -12.235 -5.869 11.225 437 HZ PHE 57 HZ PHE 57 -13.555 -4.958 13.072 438 H LEU 58 H LEU 58 -9.026 -11.133 13.290 439 HA LEU 58 HA LEU 58 -6.264 -11.499 14.203 440 HB2 LEU 58 HB2 LEU 58 -8.464 -13.501 13.941 441 HB3 LEU 58 HB3 LEU 58 -6.808 -14.006 13.677 442 HG LEU 58 HG LEU 58 -6.311 -13.067 15.980 443 HD11 LEU 58 HD11 LEU 58 -8.141 -12.902 17.551 444 HD12 LEU 58 HD12 LEU 58 -9.293 -13.184 16.251 445 HD13 LEU 58 HD13 LEU 58 -8.314 -11.718 16.255 446 HD21 LEU 58 HD21 LEU 58 -8.166 -15.417 15.785 447 HD22 LEU 58 HD22 LEU 58 -7.039 -15.073 17.101 448 HD23 LEU 58 HD23 LEU 58 -6.428 -15.436 15.486 449 H PHE 59 H PHE 59 -4.800 -12.010 12.722 450 HA PHE 59 HA PHE 59 -5.704 -11.998 9.933 451 HB2 PHE 59 HB2 PHE 59 -4.182 -10.175 10.465 452 HB3 PHE 59 HB3 PHE 59 -3.023 -11.312 11.144 453 HD1 PHE 59 HD1 PHE 59 -4.832 -10.624 7.971 454 HD2 PHE 59 HD2 PHE 59 -1.292 -12.061 9.830 455 HE1 PHE 59 HE1 PHE 59 -3.769 -10.847 5.764 456 HE2 PHE 59 HE2 PHE 59 -0.223 -12.297 7.629 457 HZ PHE 59 HZ PHE 59 -1.460 -11.687 5.594 458 H ASP 60 H ASP 60 -5.728 -13.894 9.011 459 HA ASP 60 HA ASP 60 -5.318 -16.078 8.498 460 HB2 ASP 60 HB2 ASP 60 -3.152 -14.965 7.858 461 HB3 ASP 60 HB3 ASP 60 -2.490 -15.505 9.394 462 H GLY 61 H GLY 61 -5.837 -15.266 11.405 463 HA2 GLY 61 HA2 GLY 61 -6.612 -16.865 13.014 464 HA3 GLY 61 HA3 GLY 61 -5.320 -17.942 12.506 465 H ARG 62 H ARG 62 -3.949 -14.942 12.721 466 HA ARG 62 HA ARG 62 -3.251 -15.383 15.545 467 HB2 ARG 62 HB2 ARG 62 -1.071 -14.343 15.082 468 HB3 ARG 62 HB3 ARG 62 -1.351 -15.735 14.049 469 HG2 ARG 62 HG2 ARG 62 -0.488 -14.304 12.523 470 HG3 ARG 62 HG3 ARG 62 -2.195 -13.890 12.374 471 HD2 ARG 62 HD2 ARG 62 -1.254 -11.806 12.553 472 HD3 ARG 62 HD3 ARG 62 -1.627 -12.153 14.243 473 HE ARG 62 HE ARG 62 1.015 -12.969 13.450 474 HH11 ARG 62 HH11 ARG 62 -0.929 -10.400 14.777 475 HH12 ARG 62 HH12 ARG 62 0.418 -9.465 15.321 476 HH21 ARG 62 HH21 ARG 62 2.829 -11.736 14.160 477 HH22 ARG 62 HH22 ARG 62 2.562 -10.221 14.961 478 H ARG 63 H ARG 63 -3.203 -13.639 16.936 479 HA ARG 63 HA ARG 63 -5.188 -11.699 16.419 480 HB2 ARG 63 HB2 ARG 63 -3.252 -12.084 18.685 481 HB3 ARG 63 HB3 ARG 63 -4.356 -10.718 18.633 482 HG2 ARG 63 HG2 ARG 63 -5.396 -12.351 19.973 483 HG3 ARG 63 HG3 ARG 63 -6.228 -12.392 18.417 484 HD2 ARG 63 HD2 ARG 63 -4.844 -14.323 17.762 485 HD3 ARG 63 HD3 ARG 63 -4.088 -14.298 19.355 486 HE ARG 63 HE ARG 63 -6.847 -14.443 19.719 487 HH11 ARG 63 HH11 ARG 63 -4.252 -16.422 18.421 488 HH12 ARG 63 HH12 ARG 63 -5.051 -17.914 18.748 489 HH21 ARG 63 HH21 ARG 63 -7.919 -16.429 20.135 490 HH22 ARG 63 HH22 ARG 63 -7.138 -17.918 19.736 491 H ILE 64 H ILE 64 -5.147 -9.624 15.944 492 HA ILE 64 HA ILE 64 -2.610 -8.523 14.959 493 HB ILE 64 HB ILE 64 -5.444 -7.455 14.707 494 HG12 ILE 64 HG12 ILE 64 -3.717 -8.761 12.594 495 HG13 ILE 64 HG13 ILE 64 -4.956 -9.615 13.508 496 HG21 ILE 64 HG21 ILE 64 -3.713 -5.686 14.613 497 HG22 ILE 64 HG22 ILE 64 -4.538 -5.884 13.069 498 HG23 ILE 64 HG23 ILE 64 -2.922 -6.550 13.296 499 HD11 ILE 64 HD11 ILE 64 -6.647 -8.097 12.597 500 HD12 ILE 64 HD12 ILE 64 -5.787 -8.975 11.335 501 HD13 ILE 64 HD13 ILE 64 -5.396 -7.283 11.657 502 H ASN 65 H ASN 65 -1.456 -7.283 16.232 503 HA ASN 65 HA ASN 65 -2.788 -5.892 18.457 504 HB2 ASN 65 HB2 ASN 65 0.103 -6.727 18.155 505 HB3 ASN 65 HB3 ASN 65 -0.583 -5.901 19.548 506 HD21 ASN 65 HD21 ASN 65 -0.201 -8.857 17.887 507 HD22 ASN 65 HD22 ASN 65 -0.924 -9.880 19.082 508 H ASP 66 H ASP 66 -1.879 -3.811 19.045 509 HA ASP 66 HA ASP 66 -1.458 -2.117 16.781 510 HB2 ASP 66 HB2 ASP 66 -1.179 -0.328 18.458 511 HB3 ASP 66 HB3 ASP 66 -2.618 -1.289 18.776 512 H ASP 67 H ASP 67 0.503 -3.987 18.778 513 HA ASP 67 HA ASP 67 2.928 -2.459 18.472 514 HB2 ASP 67 HB2 ASP 67 2.531 -3.790 20.495 515 HB3 ASP 67 HB3 ASP 67 2.487 -5.259 19.529 516 H ASP 68 H ASP 68 1.230 -4.822 16.657 517 HA ASP 68 HA ASP 68 3.464 -6.014 15.405 518 HB2 ASP 68 HB2 ASP 68 0.560 -5.920 14.650 519 HB3 ASP 68 HB3 ASP 68 1.770 -6.743 13.672 520 H THR 69 H THR 69 4.440 -5.647 13.534 521 HA THR 69 HA THR 69 4.160 -2.954 12.448 522 HB THR 69 HB THR 69 6.454 -3.529 11.459 523 HG1 THR 69 HG1 THR 69 6.688 -5.474 13.449 524 HG21 THR 69 HG21 THR 69 6.215 -2.079 13.413 525 HG22 THR 69 HG22 THR 69 7.619 -3.131 13.599 526 HG23 THR 69 HG23 THR 69 6.126 -3.489 14.466 527 HA PRO 70 HA PRO 70 2.685 -4.132 8.451 528 HB2 PRO 70 HB2 PRO 70 4.607 -3.088 6.741 529 HB3 PRO 70 HB3 PRO 70 3.278 -2.165 7.451 530 HG2 PRO 70 HG2 PRO 70 6.123 -2.391 8.355 531 HG3 PRO 70 HG3 PRO 70 5.085 -0.955 8.275 532 HD2 PRO 70 HD2 PRO 70 5.531 -2.152 10.594 533 HD3 PRO 70 HD3 PRO 70 3.910 -1.550 10.198 534 H LYS 71 H LYS 71 6.082 -4.834 9.098 535 HA LYS 71 HA LYS 71 6.428 -6.648 6.955 536 HB2 LYS 71 HB2 LYS 71 8.383 -7.362 8.378 537 HB3 LYS 71 HB3 LYS 71 8.350 -5.703 7.799 538 HG2 LYS 71 HG2 LYS 71 7.743 -4.858 9.882 539 HG3 LYS 71 HG3 LYS 71 7.292 -6.443 10.491 540 HD2 LYS 71 HD2 LYS 71 10.013 -5.630 9.701 541 HD3 LYS 71 HD3 LYS 71 9.350 -5.597 11.348 542 HE2 LYS 71 HE2 LYS 71 8.890 -8.006 11.192 543 HE3 LYS 71 HE3 LYS 71 9.627 -8.038 9.598 544 HZ1 LYS 71 HZ1 LYS 71 10.992 -7.407 12.155 545 HZ2 LYS 71 HZ2 LYS 71 11.716 -7.285 10.634 546 HZ3 LYS 71 HZ3 LYS 71 11.213 -8.790 11.208 547 H THR 72 H THR 72 5.844 -7.130 10.470 548 HA THR 72 HA THR 72 5.897 -9.950 10.271 549 HB THR 72 HB THR 72 6.350 -8.763 12.412 550 HG1 THR 72 HG1 THR 72 5.896 -10.715 13.066 551 HG21 THR 72 HG21 THR 72 3.365 -8.313 12.453 552 HG22 THR 72 HG22 THR 72 4.597 -7.063 12.284 553 HG23 THR 72 HG23 THR 72 4.475 -7.984 13.785 554 H LEU 73 H LEU 73 3.346 -7.575 10.057 555 HA LEU 73 HA LEU 73 1.266 -9.553 9.981 556 HB2 LEU 73 HB2 LEU 73 1.227 -6.629 9.239 557 HB3 LEU 73 HB3 LEU 73 -0.183 -7.664 9.325 558 HG LEU 73 HG LEU 73 1.590 -6.957 11.658 559 HD11 LEU 73 HD11 LEU 73 -0.306 -5.607 12.412 560 HD12 LEU 73 HD12 LEU 73 -1.162 -5.977 10.916 561 HD13 LEU 73 HD13 LEU 73 0.326 -5.034 10.869 562 HD21 LEU 73 HD21 LEU 73 -1.010 -8.484 11.517 563 HD22 LEU 73 HD22 LEU 73 -0.203 -7.980 13.001 564 HD23 LEU 73 HD23 LEU 73 0.573 -9.144 11.929 565 H GLU 74 H GLU 74 3.446 -8.114 7.768 566 HA GLU 74 HA GLU 74 3.543 -7.907 5.495 567 HB2 GLU 74 HB2 GLU 74 3.651 -10.172 4.402 568 HB3 GLU 74 HB3 GLU 74 4.678 -9.944 5.805 569 HG2 GLU 74 HG2 GLU 74 3.015 -11.162 7.165 570 HG3 GLU 74 HG3 GLU 74 2.072 -11.447 5.701 571 H MET 75 H MET 75 0.933 -7.183 6.220 572 HA MET 75 HA MET 75 -0.965 -8.447 4.496 573 HB2 MET 75 HB2 MET 75 -1.095 -5.782 5.918 574 HB3 MET 75 HB3 MET 75 -2.442 -6.577 5.110 575 HG2 MET 75 HG2 MET 75 -2.313 -8.421 6.680 576 HG3 MET 75 HG3 MET 75 -0.936 -7.667 7.470 577 HE1 MET 75 HE1 MET 75 -2.151 -7.829 9.832 578 HE2 MET 75 HE2 MET 75 -3.528 -8.605 9.051 579 HE3 MET 75 HE3 MET 75 -3.784 -7.232 10.128 580 H GLU 76 H GLU 76 -1.973 -7.496 2.652 581 HA GLU 76 HA GLU 76 -0.656 -5.264 1.428 582 HB2 GLU 76 HB2 GLU 76 -0.242 -6.527 -0.689 583 HB3 GLU 76 HB3 GLU 76 0.797 -6.991 0.648 584 HG2 GLU 76 HG2 GLU 76 -0.738 -8.921 1.048 585 HG3 GLU 76 HG3 GLU 76 -1.557 -8.492 -0.454 586 H ASP 77 H ASP 77 -1.723 -5.300 -1.017 587 HA ASP 77 HA ASP 77 -4.273 -4.389 -0.434 588 HB2 ASP 77 HB2 ASP 77 -4.538 -3.883 -2.748 589 HB3 ASP 77 HB3 ASP 77 -2.870 -3.564 -2.304 590 H ASP 78 H ASP 78 -6.016 -5.307 -0.069 591 HA ASP 78 HA ASP 78 -7.917 -6.473 -0.264 592 HB2 ASP 78 HB2 ASP 78 -7.535 -6.338 -2.729 593 HB3 ASP 78 HB3 ASP 78 -6.718 -7.891 -2.627 594 H ASP 79 H ASP 79 -5.629 -7.329 1.338 595 HA ASP 79 HA ASP 79 -5.743 -10.207 1.266 596 HB2 ASP 79 HB2 ASP 79 -3.838 -8.606 2.249 597 HB3 ASP 79 HB3 ASP 79 -4.790 -8.840 3.718 598 H VAL 80 H VAL 80 -6.165 -11.116 3.694 599 HA VAL 80 HA VAL 80 -8.940 -10.266 4.144 600 HB VAL 80 HB VAL 80 -9.450 -12.604 4.734 601 HG11 VAL 80 HG11 VAL 80 -9.325 -13.497 2.430 602 HG12 VAL 80 HG12 VAL 80 -8.232 -12.175 2.009 603 HG13 VAL 80 HG13 VAL 80 -9.893 -11.828 2.487 604 HG21 VAL 80 HG21 VAL 80 -6.627 -13.105 3.800 605 HG22 VAL 80 HG22 VAL 80 -7.825 -14.358 4.137 606 HG23 VAL 80 HG23 VAL 80 -7.240 -13.321 5.439 607 H ILE 81 H ILE 81 -9.776 -10.400 6.160 608 HA ILE 81 HA ILE 81 -7.963 -10.834 8.384 609 HB ILE 81 HB ILE 81 -9.305 -8.308 7.667 610 HG12 ILE 81 HG12 ILE 81 -6.909 -9.021 9.358 611 HG13 ILE 81 HG13 ILE 81 -6.901 -8.445 7.696 612 HG21 ILE 81 HG21 ILE 81 -9.332 -9.209 10.535 613 HG22 ILE 81 HG22 ILE 81 -10.725 -8.859 9.497 614 HG23 ILE 81 HG23 ILE 81 -9.625 -7.563 9.959 615 HD11 ILE 81 HD11 ILE 81 -7.654 -6.909 10.167 616 HD12 ILE 81 HD12 ILE 81 -7.900 -6.305 8.534 617 HD13 ILE 81 HD13 ILE 81 -6.267 -6.640 9.113 618 H GLU 82 H GLU 82 -8.838 -11.838 10.057 619 HA GLU 82 HA GLU 82 -11.598 -12.744 9.723 620 HB2 GLU 82 HB2 GLU 82 -9.276 -13.856 11.258 621 HB3 GLU 82 HB3 GLU 82 -10.900 -14.500 11.359 622 HG2 GLU 82 HG2 GLU 82 -9.363 -14.282 8.791 623 HG3 GLU 82 HG3 GLU 82 -9.385 -15.733 9.804 624 H VAL 83 H VAL 83 -13.061 -12.441 11.232 625 HA VAL 83 HA VAL 83 -12.237 -11.068 13.689 626 HB VAL 83 HB VAL 83 -14.782 -10.655 12.114 627 HG11 VAL 83 HG11 VAL 83 -13.931 -9.441 14.738 628 HG12 VAL 83 HG12 VAL 83 -15.236 -10.606 14.512 629 HG13 VAL 83 HG13 VAL 83 -15.365 -8.991 13.813 630 HG21 VAL 83 HG21 VAL 83 -12.820 -9.526 11.210 631 HG22 VAL 83 HG22 VAL 83 -12.552 -8.770 12.786 632 HG23 VAL 83 HG23 VAL 83 -14.003 -8.388 11.856 633 H TYR 84 H TYR 84 -12.836 -11.999 15.493 634 HA TYR 84 HA TYR 84 -14.561 -14.334 15.325 635 HB2 TYR 84 HB2 TYR 84 -12.492 -13.455 17.331 636 HB3 TYR 84 HB3 TYR 84 -13.620 -14.766 17.658 637 HD1 TYR 84 HD1 TYR 84 -10.884 -13.680 15.397 638 HD2 TYR 84 HD2 TYR 84 -13.292 -16.924 16.730 639 HE1 TYR 84 HE1 TYR 84 -9.437 -15.249 14.187 640 HE2 TYR 84 HE2 TYR 84 -11.841 -18.495 15.528 641 HH TYR 84 HH TYR 84 -10.286 -18.354 13.478 642 H GLN 85 H GLN 85 -15.919 -14.653 17.398 643 HA GLN 85 HA GLN 85 -17.772 -12.528 17.250 644 HB2 GLN 85 HB2 GLN 85 -18.368 -14.933 17.547 645 HB3 GLN 85 HB3 GLN 85 -17.784 -14.828 19.203 646 HG2 GLN 85 HG2 GLN 85 -19.480 -13.257 19.774 647 HG3 GLN 85 HG3 GLN 85 -19.974 -13.104 18.091 648 HE21 GLN 85 HE21 GLN 85 -22.045 -13.718 18.452 649 HE22 GLN 85 HE22 GLN 85 -22.506 -15.333 18.873 650 H GLU 86 H GLU 86 -18.371 -11.019 18.679 651 HA GLU 86 HA GLU 86 -16.179 -10.089 20.295 652 HB2 GLU 86 HB2 GLU 86 -17.506 -7.993 20.399 653 HB3 GLU 86 HB3 GLU 86 -17.094 -8.519 18.774 654 HG2 GLU 86 HG2 GLU 86 -19.721 -9.186 20.009 655 HG3 GLU 86 HG3 GLU 86 -19.464 -7.636 19.223 656 H GLN 87 H GLN 87 -16.467 -9.136 22.351 657 HA GLN 87 HA GLN 87 -17.638 -10.924 24.202 658 HB2 GLN 87 HB2 GLN 87 -15.595 -9.727 24.669 659 HB3 GLN 87 HB3 GLN 87 -16.430 -8.192 24.575 660 HG2 GLN 87 HG2 GLN 87 -17.682 -8.695 26.544 661 HG3 GLN 87 HG3 GLN 87 -16.964 -10.310 26.635 662 HE21 GLN 87 HE21 GLN 87 -16.079 -9.921 28.655 663 HE22 GLN 87 HE22 GLN 87 -14.735 -8.863 28.887 664 H LEU 88 H LEU 88 -18.574 -7.670 23.150 665 HA LEU 88 HA LEU 88 -20.850 -7.759 24.941 666 HB2 LEU 88 HB2 LEU 88 -19.555 -5.601 23.354 667 HB3 LEU 88 HB3 LEU 88 -21.238 -5.410 23.798 668 HG LEU 88 HG LEU 88 -19.773 -4.248 25.369 669 HD11 LEU 88 HD11 LEU 88 -20.605 -5.197 27.457 670 HD12 LEU 88 HD12 LEU 88 -21.092 -6.657 26.599 671 HD13 LEU 88 HD13 LEU 88 -21.858 -5.114 26.222 672 HD21 LEU 88 HD21 LEU 88 -18.275 -5.479 26.853 673 HD22 LEU 88 HD22 LEU 88 -17.786 -5.629 25.166 674 HD23 LEU 88 HD23 LEU 88 -18.619 -6.962 25.965 675 H GLY 89 H GLY 89 -20.198 -8.498 21.700 676 HA2 GLY 89 HA2 GLY 89 -22.674 -7.844 20.510 677 HA3 GLY 89 HA3 GLY 89 -21.594 -9.111 19.951 678 H GLY 90 H GLY 90 -21.574 -10.754 22.184 679 HA2 GLY 90 HA2 GLY 90 -24.015 -11.277 23.395 680 HA3 GLY 90 HA3 GLY 90 -23.980 -12.202 21.901 Start of MODEL 12 1 H MET 1 H MET 1 23.000 5.235 -8.536 2 HA MET 1 HA MET 1 22.222 3.885 -6.694 3 HB2 MET 1 HB2 MET 1 20.109 5.231 -8.386 4 HB3 MET 1 HB3 MET 1 19.810 4.660 -6.753 5 HG2 MET 1 HG2 MET 1 21.465 6.188 -5.878 6 HG3 MET 1 HG3 MET 1 21.881 6.707 -7.509 7 HE1 MET 1 HE1 MET 1 18.372 6.005 -5.801 8 HE2 MET 1 HE2 MET 1 17.917 7.647 -5.341 9 HE3 MET 1 HE3 MET 1 19.315 6.874 -4.592 10 H ALA 2 H ALA 2 19.982 2.781 -6.157 11 HA ALA 2 HA ALA 2 19.498 0.586 -8.037 12 HB1 ALA 2 HB1 ALA 2 21.095 -0.228 -6.377 13 HB2 ALA 2 HB2 ALA 2 19.523 -0.993 -6.143 14 HB3 ALA 2 HB3 ALA 2 20.035 0.312 -5.076 15 H ASP 3 H ASP 3 17.417 -0.553 -7.469 16 HA ASP 3 HA ASP 3 15.460 1.473 -6.867 17 HB2 ASP 3 HB2 ASP 3 13.794 -0.054 -7.583 18 HB3 ASP 3 HB3 ASP 3 15.167 -0.337 -8.643 19 H ASP 4 H ASP 4 13.479 0.456 -5.475 20 HA ASP 4 HA ASP 4 14.474 0.629 -2.839 21 HB2 ASP 4 HB2 ASP 4 12.210 1.399 -3.599 22 HB3 ASP 4 HB3 ASP 4 11.717 -0.293 -3.628 23 H ALA 5 H ALA 5 13.339 -2.087 -4.769 24 HA ALA 5 HA ALA 5 13.567 -4.322 -4.590 25 HB1 ALA 5 HB1 ALA 5 15.731 -3.710 -2.581 26 HB2 ALA 5 HB2 ALA 5 15.947 -3.771 -4.329 27 HB3 ALA 5 HB3 ALA 5 15.501 -5.230 -3.445 28 H ALA 6 H ALA 6 11.795 -2.825 -2.680 29 HA ALA 6 HA ALA 6 11.172 -5.147 -1.031 30 HB1 ALA 6 HB1 ALA 6 12.519 -3.721 0.429 31 HB2 ALA 6 HB2 ALA 6 10.844 -3.784 0.975 32 HB3 ALA 6 HB3 ALA 6 11.437 -2.366 0.111 33 H GLN 7 H GLN 7 8.971 -5.307 -0.479 34 HA GLN 7 HA GLN 7 6.736 -5.150 -0.878 35 HB2 GLN 7 HB2 GLN 7 7.419 -2.228 -0.819 36 HB3 GLN 7 HB3 GLN 7 5.807 -2.903 -0.648 37 HG2 GLN 7 HG2 GLN 7 6.530 -4.035 1.407 38 HG3 GLN 7 HG3 GLN 7 8.110 -3.267 1.242 39 HE21 GLN 7 HE21 GLN 7 7.968 -2.103 3.117 40 HE22 GLN 7 HE22 GLN 7 6.870 -0.781 3.326 41 H ALA 8 H ALA 8 5.286 -3.266 -2.275 42 HA ALA 8 HA ALA 8 5.589 -4.197 -4.923 43 HB1 ALA 8 HB1 ALA 8 3.665 -2.814 -5.400 44 HB2 ALA 8 HB2 ALA 8 3.880 -1.954 -3.873 45 HB3 ALA 8 HB3 ALA 8 3.436 -3.661 -3.868 46 H GLY 9 H GLY 9 6.948 -1.604 -3.168 47 HA2 GLY 9 HA2 GLY 9 8.659 -0.196 -3.924 48 HA3 GLY 9 HA3 GLY 9 8.205 -0.577 -5.582 49 H ASP 10 H ASP 10 5.421 -0.074 -4.279 50 HA ASP 10 HA ASP 10 5.415 2.797 -4.825 51 HB2 ASP 10 HB2 ASP 10 3.393 0.676 -5.462 52 HB3 ASP 10 HB3 ASP 10 2.971 2.390 -5.450 53 H ASN 11 H ASN 11 4.173 4.119 -3.599 54 HA ASN 11 HA ASN 11 2.661 3.148 -1.371 55 HB2 ASN 11 HB2 ASN 11 4.997 3.094 -0.468 56 HB3 ASN 11 HB3 ASN 11 5.162 4.798 -0.865 57 HD21 ASN 11 HD21 ASN 11 5.402 3.539 1.722 58 HD22 ASN 11 HD22 ASN 11 4.208 4.255 2.740 59 H ALA 12 H ALA 12 0.980 4.292 -2.189 60 HA ALA 12 HA ALA 12 1.322 7.034 -2.953 61 HB1 ALA 12 HB1 ALA 12 -1.188 5.415 -2.574 62 HB2 ALA 12 HB2 ALA 12 -0.252 5.539 -4.063 63 HB3 ALA 12 HB3 ALA 12 -1.056 6.973 -3.406 64 H GLU 13 H GLU 13 -0.977 5.600 -0.655 65 HA GLU 13 HA GLU 13 0.132 6.675 1.593 66 HB2 GLU 13 HB2 GLU 13 -1.519 8.416 2.169 67 HB3 GLU 13 HB3 GLU 13 -0.486 8.820 0.807 68 HG2 GLU 13 HG2 GLU 13 -2.304 8.210 -0.727 69 HG3 GLU 13 HG3 GLU 13 -3.346 7.908 0.665 70 H TYR 14 H TYR 14 -2.895 6.023 0.247 71 HA TYR 14 HA TYR 14 -3.413 4.253 2.533 72 HB2 TYR 14 HB2 TYR 14 -5.415 6.078 1.223 73 HB3 TYR 14 HB3 TYR 14 -5.856 4.721 2.239 74 HD1 TYR 14 HD1 TYR 14 -2.972 6.960 2.834 75 HD2 TYR 14 HD2 TYR 14 -6.899 5.861 3.999 76 HE1 TYR 14 HE1 TYR 14 -2.761 8.369 4.835 77 HE2 TYR 14 HE2 TYR 14 -6.704 7.267 6.013 78 HH TYR 14 HH TYR 14 -4.896 8.193 7.435 79 H ILE 15 H ILE 15 -4.836 2.578 2.272 80 HA ILE 15 HA ILE 15 -5.128 1.517 -0.453 81 HB ILE 15 HB ILE 15 -4.303 -0.633 0.230 82 HG12 ILE 15 HG12 ILE 15 -4.160 0.520 3.009 83 HG13 ILE 15 HG13 ILE 15 -5.269 -0.717 2.400 84 HG21 ILE 15 HG21 ILE 15 -2.000 -0.198 0.846 85 HG22 ILE 15 HG22 ILE 15 -2.436 1.454 1.278 86 HG23 ILE 15 HG23 ILE 15 -2.571 0.917 -0.396 87 HD11 ILE 15 HD11 ILE 15 -2.291 -1.065 2.525 88 HD12 ILE 15 HD12 ILE 15 -3.514 -2.290 2.162 89 HD13 ILE 15 HD13 ILE 15 -3.407 -1.587 3.783 90 H LYS 16 H LYS 16 -6.755 -0.264 -0.423 91 HA LYS 16 HA LYS 16 -8.813 0.339 1.578 92 HB2 LYS 16 HB2 LYS 16 -8.911 -0.748 -1.171 93 HB3 LYS 16 HB3 LYS 16 -10.247 -1.088 -0.078 94 HG2 LYS 16 HG2 LYS 16 -11.082 0.807 -0.975 95 HG3 LYS 16 HG3 LYS 16 -10.060 1.590 0.234 96 HD2 LYS 16 HD2 LYS 16 -9.599 2.701 -1.778 97 HD3 LYS 16 HD3 LYS 16 -8.250 1.584 -1.556 98 HE2 LYS 16 HE2 LYS 16 -9.393 -0.023 -3.058 99 HE3 LYS 16 HE3 LYS 16 -10.654 1.177 -3.331 100 HZ1 LYS 16 HZ1 LYS 16 -8.929 2.670 -4.208 101 HZ2 LYS 16 HZ2 LYS 16 -9.063 1.237 -5.100 102 HZ3 LYS 16 HZ3 LYS 16 -7.787 1.430 -4.009 103 H ILE 17 H ILE 17 -9.870 -1.220 2.707 104 HA ILE 17 HA ILE 17 -8.744 -3.930 2.621 105 HB ILE 17 HB ILE 17 -9.562 -2.262 4.980 106 HG12 ILE 17 HG12 ILE 17 -7.027 -3.800 4.444 107 HG13 ILE 17 HG13 ILE 17 -7.232 -2.061 4.238 108 HG21 ILE 17 HG21 ILE 17 -10.611 -4.397 5.271 109 HG22 ILE 17 HG22 ILE 17 -9.242 -4.262 6.379 110 HG23 ILE 17 HG23 ILE 17 -9.101 -5.224 4.903 111 HD11 ILE 17 HD11 ILE 17 -6.127 -2.602 6.342 112 HD12 ILE 17 HD12 ILE 17 -7.521 -3.562 6.831 113 HD13 ILE 17 HD13 ILE 17 -7.682 -1.820 6.612 114 H LYS 18 H LYS 18 -10.227 -5.535 2.309 115 HA LYS 18 HA LYS 18 -13.046 -4.787 2.712 116 HB2 LYS 18 HB2 LYS 18 -12.242 -7.450 1.604 117 HB3 LYS 18 HB3 LYS 18 -13.676 -6.505 1.291 118 HG2 LYS 18 HG2 LYS 18 -12.245 -4.908 -0.048 119 HG3 LYS 18 HG3 LYS 18 -10.933 -6.066 0.150 120 HD2 LYS 18 HD2 LYS 18 -13.607 -6.687 -1.099 121 HD3 LYS 18 HD3 LYS 18 -12.119 -6.353 -1.986 122 HE2 LYS 18 HE2 LYS 18 -11.061 -8.294 -0.917 123 HE3 LYS 18 HE3 LYS 18 -12.560 -8.628 -0.054 124 HZ1 LYS 18 HZ1 LYS 18 -12.195 -8.675 -2.997 125 HZ2 LYS 18 HZ2 LYS 18 -13.655 -8.944 -2.191 126 HZ3 LYS 18 HZ3 LYS 18 -12.376 -10.025 -1.991 127 H VAL 19 H VAL 19 -13.433 -5.047 4.836 128 HA VAL 19 HA VAL 19 -12.350 -7.241 6.334 129 HB VAL 19 HB VAL 19 -14.392 -5.124 7.058 130 HG11 VAL 19 HG11 VAL 19 -14.680 -7.128 8.407 131 HG12 VAL 19 HG12 VAL 19 -14.042 -5.794 9.368 132 HG13 VAL 19 HG13 VAL 19 -12.970 -7.089 8.835 133 HG21 VAL 19 HG21 VAL 19 -12.194 -4.186 6.630 134 HG22 VAL 19 HG22 VAL 19 -11.461 -5.356 7.729 135 HG23 VAL 19 HG23 VAL 19 -12.560 -4.125 8.355 136 H VAL 20 H VAL 20 -13.225 -9.199 6.235 137 HA VAL 20 HA VAL 20 -16.089 -9.431 5.627 138 HB VAL 20 HB VAL 20 -13.918 -11.537 5.434 139 HG11 VAL 20 HG11 VAL 20 -15.605 -12.880 4.268 140 HG12 VAL 20 HG12 VAL 20 -16.807 -11.624 4.567 141 HG13 VAL 20 HG13 VAL 20 -16.096 -12.505 5.919 142 HG21 VAL 20 HG21 VAL 20 -15.309 -9.975 3.257 143 HG22 VAL 20 HG22 VAL 20 -14.196 -11.316 2.997 144 HG23 VAL 20 HG23 VAL 20 -13.619 -9.823 3.736 145 H GLY 21 H GLY 21 -17.293 -9.699 7.331 146 HA2 GLY 21 HA2 GLY 21 -16.137 -10.741 9.800 147 HA3 GLY 21 HA3 GLY 21 -17.733 -10.032 9.625 148 H GLN 22 H GLN 22 -17.563 -12.209 11.143 149 HA GLN 22 HA GLN 22 -17.945 -14.630 9.680 150 HB2 GLN 22 HB2 GLN 22 -18.519 -13.926 12.549 151 HB3 GLN 22 HB3 GLN 22 -18.702 -15.533 11.873 152 HG2 GLN 22 HG2 GLN 22 -16.140 -13.957 11.998 153 HG3 GLN 22 HG3 GLN 22 -16.586 -15.275 13.081 154 HE21 GLN 22 HE21 GLN 22 -14.373 -14.885 11.113 155 HE22 GLN 22 HE22 GLN 22 -14.415 -16.293 10.107 156 H ASP 23 H ASP 23 -19.820 -12.039 10.378 157 HA ASP 23 HA ASP 23 -22.398 -13.301 10.100 158 HB2 ASP 23 HB2 ASP 23 -21.559 -10.393 9.957 159 HB3 ASP 23 HB3 ASP 23 -23.222 -10.958 9.939 160 H SER 24 H SER 24 -19.960 -13.116 8.081 161 HA SER 24 HA SER 24 -19.634 -13.131 5.835 162 HB2 SER 24 HB2 SER 24 -22.665 -13.177 5.690 163 HB3 SER 24 HB3 SER 24 -21.571 -13.509 4.348 164 HG SER 24 HG SER 24 -21.125 -15.006 6.633 165 H ASN 25 H ASN 25 -19.917 -10.762 7.414 166 HA ASN 25 HA ASN 25 -21.092 -8.827 5.572 167 HB2 ASN 25 HB2 ASN 25 -21.762 -8.664 7.894 168 HB3 ASN 25 HB3 ASN 25 -20.087 -8.463 8.396 169 HD21 ASN 25 HD21 ASN 25 -20.517 -6.480 9.343 170 HD22 ASN 25 HD22 ASN 25 -20.823 -5.056 8.419 171 H GLU 26 H GLU 26 -19.743 -8.314 4.024 172 HA GLU 26 HA GLU 26 -16.962 -7.705 4.682 173 HB2 GLU 26 HB2 GLU 26 -17.195 -9.129 2.750 174 HB3 GLU 26 HB3 GLU 26 -18.327 -8.006 2.005 175 HG2 GLU 26 HG2 GLU 26 -16.497 -6.335 1.886 176 HG3 GLU 26 HG3 GLU 26 -15.399 -7.539 2.551 177 H VAL 27 H VAL 27 -16.231 -5.721 4.790 178 HA VAL 27 HA VAL 27 -17.790 -3.522 3.665 179 HB VAL 27 HB VAL 27 -18.597 -3.679 5.948 180 HG11 VAL 27 HG11 VAL 27 -16.765 -4.923 6.918 181 HG12 VAL 27 HG12 VAL 27 -17.085 -3.465 7.862 182 HG13 VAL 27 HG13 VAL 27 -15.709 -3.520 6.757 183 HG21 VAL 27 HG21 VAL 27 -18.295 -1.422 5.063 184 HG22 VAL 27 HG22 VAL 27 -16.640 -1.397 5.666 185 HG23 VAL 27 HG23 VAL 27 -17.989 -1.457 6.799 186 H HIS 28 H HIS 28 -16.655 -1.785 3.048 187 HA HIS 28 HA HIS 28 -13.807 -2.203 2.804 188 HB2 HIS 28 HB2 HIS 28 -15.765 -0.376 1.498 189 HB3 HIS 28 HB3 HIS 28 -14.045 -0.020 1.421 190 HD2 HIS 28 HD2 HIS 28 -13.964 -3.642 1.142 191 HE1 HIS 28 HE1 HIS 28 -14.736 -2.317 -2.809 192 HE2 HIS 28 HE2 HIS 28 -13.549 -3.996 -1.392 193 H PHE 29 H PHE 29 -12.535 -1.514 4.264 194 HA PHE 29 HA PHE 29 -12.943 1.188 5.338 195 HB2 PHE 29 HB2 PHE 29 -11.439 -1.163 6.448 196 HB3 PHE 29 HB3 PHE 29 -11.196 0.466 7.037 197 HD1 PHE 29 HD1 PHE 29 -13.428 -2.414 7.007 198 HD2 PHE 29 HD2 PHE 29 -12.941 1.615 8.272 199 HE1 PHE 29 HE1 PHE 29 -15.286 -2.679 8.562 200 HE2 PHE 29 HE2 PHE 29 -14.808 1.347 9.841 201 HZ PHE 29 HZ PHE 29 -15.984 -0.804 9.989 202 H ARG 30 H ARG 30 -11.401 2.659 4.949 203 HA ARG 30 HA ARG 30 -9.198 1.744 3.262 204 HB2 ARG 30 HB2 ARG 30 -10.714 3.439 2.268 205 HB3 ARG 30 HB3 ARG 30 -10.252 4.555 3.547 206 HG2 ARG 30 HG2 ARG 30 -7.953 4.523 2.785 207 HG3 ARG 30 HG3 ARG 30 -8.367 3.343 1.537 208 HD2 ARG 30 HD2 ARG 30 -9.940 4.950 0.589 209 HD3 ARG 30 HD3 ARG 30 -9.425 6.135 1.791 210 HE ARG 30 HE ARG 30 -7.260 6.170 0.746 211 HH11 ARG 30 HH11 ARG 30 -9.817 4.622 -1.107 212 HH12 ARG 30 HH12 ARG 30 -8.959 4.723 -2.610 213 HH21 ARG 30 HH21 ARG 30 -6.137 6.312 -1.249 214 HH22 ARG 30 HH22 ARG 30 -6.870 5.685 -2.685 215 H VAL 31 H VAL 31 -7.250 1.846 3.950 216 HA VAL 31 HA VAL 31 -6.626 3.360 6.396 217 HB VAL 31 HB VAL 31 -5.453 1.486 7.365 218 HG11 VAL 31 HG11 VAL 31 -7.332 0.004 7.907 219 HG12 VAL 31 HG12 VAL 31 -8.258 0.705 6.580 220 HG13 VAL 31 HG13 VAL 31 -7.799 1.703 7.957 221 HG21 VAL 31 HG21 VAL 31 -4.748 0.414 5.286 222 HG22 VAL 31 HG22 VAL 31 -6.403 -0.131 5.007 223 HG23 VAL 31 HG23 VAL 31 -5.496 -0.736 6.393 224 H LYS 32 H LYS 32 -4.140 2.901 6.797 225 HA LYS 32 HA LYS 32 -2.781 3.782 4.378 226 HB2 LYS 32 HB2 LYS 32 -2.569 4.812 6.747 227 HB3 LYS 32 HB3 LYS 32 -1.577 3.413 7.108 228 HG2 LYS 32 HG2 LYS 32 -0.119 4.071 5.171 229 HG3 LYS 32 HG3 LYS 32 -1.040 5.571 5.094 230 HD2 LYS 32 HD2 LYS 32 0.476 4.581 7.505 231 HD3 LYS 32 HD3 LYS 32 1.032 5.822 6.383 232 HE2 LYS 32 HE2 LYS 32 -0.884 7.220 6.975 233 HE3 LYS 32 HE3 LYS 32 -1.449 5.978 8.091 234 HZ1 LYS 32 HZ1 LYS 32 1.098 7.483 8.298 235 HZ2 LYS 32 HZ2 LYS 32 0.617 6.243 9.336 236 HZ3 LYS 32 HZ3 LYS 32 -0.266 7.681 9.280 237 H TYR 33 H TYR 33 -0.855 2.665 3.632 238 HA TYR 33 HA TYR 33 -0.760 -0.099 3.596 239 HB2 TYR 33 HB2 TYR 33 1.591 1.808 3.569 240 HB3 TYR 33 HB3 TYR 33 1.670 0.126 3.091 241 HD1 TYR 33 HD1 TYR 33 0.363 3.445 2.196 242 HD2 TYR 33 HD2 TYR 33 1.005 -0.553 0.902 243 HE1 TYR 33 HE1 TYR 33 -0.099 4.126 -0.111 244 HE2 TYR 33 HE2 TYR 33 0.535 0.119 -1.419 245 HH TYR 33 HH TYR 33 -0.603 1.874 -2.626 246 H GLY 34 H GLY 34 0.684 2.164 5.898 247 HA2 GLY 34 HA2 GLY 34 1.684 -0.056 7.530 248 HA3 GLY 34 HA3 GLY 34 2.207 1.617 7.649 249 H THR 35 H THR 35 -1.149 0.593 7.458 250 HA THR 35 HA THR 35 -1.840 2.086 9.718 251 HB THR 35 HB THR 35 -3.202 0.502 7.707 252 HG1 THR 35 HG1 THR 35 -4.685 2.406 8.960 253 HG21 THR 35 HG21 THR 35 -3.927 -0.876 9.548 254 HG22 THR 35 HG22 THR 35 -5.275 0.137 9.023 255 HG23 THR 35 HG23 THR 35 -4.374 0.548 10.485 256 H SER 36 H SER 36 -2.279 1.545 11.749 257 HA SER 36 HA SER 36 -1.156 -0.900 12.777 258 HB2 SER 36 HB2 SER 36 -2.468 1.463 14.126 259 HB3 SER 36 HB3 SER 36 -1.678 0.136 14.972 260 HG SER 36 HG SER 36 0.007 1.032 13.135 261 H MET 37 H MET 37 -2.347 -2.425 14.063 262 HA MET 37 HA MET 37 -4.785 -3.258 13.038 263 HB2 MET 37 HB2 MET 37 -4.933 -4.801 14.870 264 HB3 MET 37 HB3 MET 37 -3.240 -4.651 14.431 265 HG2 MET 37 HG2 MET 37 -2.869 -3.158 16.322 266 HG3 MET 37 HG3 MET 37 -4.571 -3.266 16.756 267 HE1 MET 37 HE1 MET 37 -3.951 -3.953 19.232 268 HE2 MET 37 HE2 MET 37 -2.236 -3.823 18.843 269 HE3 MET 37 HE3 MET 37 -2.853 -5.271 19.641 270 H ALA 38 H ALA 38 -4.130 -0.968 15.544 271 HA ALA 38 HA ALA 38 -6.608 -0.905 16.821 272 HB1 ALA 38 HB1 ALA 38 -4.563 0.109 17.729 273 HB2 ALA 38 HB2 ALA 38 -5.931 1.221 17.714 274 HB3 ALA 38 HB3 ALA 38 -4.664 1.368 16.495 275 H LYS 39 H LYS 39 -5.467 0.678 13.902 276 HA LYS 39 HA LYS 39 -7.425 2.681 13.697 277 HB2 LYS 39 HB2 LYS 39 -5.949 1.216 11.503 278 HB3 LYS 39 HB3 LYS 39 -6.870 2.691 11.294 279 HG2 LYS 39 HG2 LYS 39 -4.453 2.427 13.063 280 HG3 LYS 39 HG3 LYS 39 -4.459 3.107 11.434 281 HD2 LYS 39 HD2 LYS 39 -6.039 4.826 12.169 282 HD3 LYS 39 HD3 LYS 39 -6.006 4.151 13.799 283 HE2 LYS 39 HE2 LYS 39 -3.610 4.620 13.936 284 HE3 LYS 39 HE3 LYS 39 -3.655 5.308 12.312 285 HZ1 LYS 39 HZ1 LYS 39 -5.177 6.315 14.646 286 HZ2 LYS 39 HZ2 LYS 39 -5.172 6.993 13.098 287 HZ3 LYS 39 HZ3 LYS 39 -3.763 7.011 14.032 288 H LEU 40 H LEU 40 -7.377 -0.638 12.578 289 HA LEU 40 HA LEU 40 -10.001 -0.359 11.391 290 HB2 LEU 40 HB2 LEU 40 -9.705 -2.852 10.912 291 HB3 LEU 40 HB3 LEU 40 -8.702 -1.714 10.048 292 HG LEU 40 HG LEU 40 -7.588 -2.974 12.526 293 HD11 LEU 40 HD11 LEU 40 -7.760 -4.321 9.826 294 HD12 LEU 40 HD12 LEU 40 -8.571 -4.850 11.301 295 HD13 LEU 40 HD13 LEU 40 -6.811 -4.882 11.202 296 HD21 LEU 40 HD21 LEU 40 -5.522 -2.794 11.239 297 HD22 LEU 40 HD22 LEU 40 -6.350 -1.237 11.302 298 HD23 LEU 40 HD23 LEU 40 -6.430 -2.219 9.843 299 H LYS 41 H LYS 41 -8.537 -2.122 14.096 300 HA LYS 41 HA LYS 41 -10.835 -3.533 14.870 301 HB2 LYS 41 HB2 LYS 41 -8.423 -2.616 16.416 302 HB3 LYS 41 HB3 LYS 41 -9.676 -3.627 17.112 303 HG2 LYS 41 HG2 LYS 41 -9.110 -5.450 15.816 304 HG3 LYS 41 HG3 LYS 41 -8.268 -4.462 14.615 305 HD2 LYS 41 HD2 LYS 41 -6.637 -5.636 15.922 306 HD3 LYS 41 HD3 LYS 41 -6.580 -3.921 16.318 307 HE2 LYS 41 HE2 LYS 41 -6.407 -5.119 18.373 308 HE3 LYS 41 HE3 LYS 41 -8.024 -4.424 18.313 309 HZ1 LYS 41 HZ1 LYS 41 -8.891 -6.577 17.651 310 HZ2 LYS 41 HZ2 LYS 41 -8.027 -6.713 19.096 311 HZ3 LYS 41 HZ3 LYS 41 -7.326 -7.226 17.649 312 H LYS 42 H LYS 42 -9.530 -0.479 16.022 313 HA LYS 42 HA LYS 42 -11.577 0.022 17.874 314 HB2 LYS 42 HB2 LYS 42 -9.463 1.262 17.899 315 HB3 LYS 42 HB3 LYS 42 -9.866 1.998 16.356 316 HG2 LYS 42 HG2 LYS 42 -11.711 3.190 17.359 317 HG3 LYS 42 HG3 LYS 42 -11.435 2.373 18.898 318 HD2 LYS 42 HD2 LYS 42 -10.489 4.590 19.003 319 HD3 LYS 42 HD3 LYS 42 -9.181 3.410 18.991 320 HE2 LYS 42 HE2 LYS 42 -8.817 3.817 16.616 321 HE3 LYS 42 HE3 LYS 42 -10.168 4.948 16.589 322 HZ1 LYS 42 HZ1 LYS 42 -7.671 5.277 18.165 323 HZ2 LYS 42 HZ2 LYS 42 -8.963 6.364 18.130 324 HZ3 LYS 42 HZ3 LYS 42 -8.053 6.101 16.739 325 H SER 43 H SER 43 -11.230 0.744 14.486 326 HA SER 43 HA SER 43 -13.475 2.464 14.293 327 HB2 SER 43 HB2 SER 43 -11.664 2.497 12.651 328 HB3 SER 43 HB3 SER 43 -12.056 0.857 12.154 329 HG SER 43 HG SER 43 -12.949 2.776 10.926 330 H TYR 44 H TYR 44 -13.038 -0.957 13.421 331 HA TYR 44 HA TYR 44 -15.735 -1.330 12.608 332 HB2 TYR 44 HB2 TYR 44 -13.792 -2.658 11.858 333 HB3 TYR 44 HB3 TYR 44 -13.721 -3.376 13.460 334 HD1 TYR 44 HD1 TYR 44 -15.484 -3.321 10.281 335 HD2 TYR 44 HD2 TYR 44 -15.438 -4.931 14.204 336 HE1 TYR 44 HE1 TYR 44 -17.075 -5.058 9.569 337 HE2 TYR 44 HE2 TYR 44 -17.023 -6.685 13.516 338 HH TYR 44 HH TYR 44 -18.652 -7.146 11.806 339 H ALA 45 H ALA 45 -13.977 -2.168 15.552 340 HA ALA 45 HA ALA 45 -16.052 -3.557 16.800 341 HB1 ALA 45 HB1 ALA 45 -13.908 -1.887 18.105 342 HB2 ALA 45 HB2 ALA 45 -13.753 -3.578 17.630 343 HB3 ALA 45 HB3 ALA 45 -14.887 -3.118 18.902 344 H ASP 46 H ASP 46 -15.353 -0.205 16.508 345 HA ASP 46 HA ASP 46 -17.145 0.792 18.486 346 HB2 ASP 46 HB2 ASP 46 -15.344 2.165 17.614 347 HB3 ASP 46 HB3 ASP 46 -16.039 2.103 16.000 348 H ARG 47 H ARG 47 -17.478 0.333 14.999 349 HA ARG 47 HA ARG 47 -20.122 1.378 14.887 350 HB2 ARG 47 HB2 ARG 47 -20.122 0.730 12.582 351 HB3 ARG 47 HB3 ARG 47 -18.506 1.304 12.973 352 HG2 ARG 47 HG2 ARG 47 -17.751 -1.011 13.191 353 HG3 ARG 47 HG3 ARG 47 -19.357 -1.559 12.715 354 HD2 ARG 47 HD2 ARG 47 -17.525 0.164 11.056 355 HD3 ARG 47 HD3 ARG 47 -17.781 -1.570 10.850 356 HE ARG 47 HE ARG 47 -20.269 -0.654 10.609 357 HH11 ARG 47 HH11 ARG 47 -17.315 0.636 9.224 358 HH12 ARG 47 HH12 ARG 47 -18.058 1.111 7.739 359 HH21 ARG 47 HH21 ARG 47 -21.256 -0.029 8.617 360 HH22 ARG 47 HH22 ARG 47 -20.305 0.730 7.391 361 H THR 48 H THR 48 -18.847 -1.706 15.717 362 HA THR 48 HA THR 48 -21.468 -2.948 15.325 363 HB THR 48 HB THR 48 -19.545 -4.140 14.337 364 HG1 THR 48 HG1 THR 48 -19.969 -6.212 15.526 365 HG21 THR 48 HG21 THR 48 -17.803 -3.553 15.881 366 HG22 THR 48 HG22 THR 48 -17.953 -5.313 15.831 367 HG23 THR 48 HG23 THR 48 -18.617 -4.405 17.193 368 H GLY 49 H GLY 49 -19.874 -1.348 17.724 369 HA2 GLY 49 HA2 GLY 49 -20.386 -1.053 19.940 370 HA3 GLY 49 HA3 GLY 49 -21.760 -2.128 19.714 371 H VAL 50 H VAL 50 -18.370 -2.852 19.207 372 HA VAL 50 HA VAL 50 -18.485 -4.821 21.394 373 HB VAL 50 HB VAL 50 -17.170 -5.117 18.678 374 HG11 VAL 50 HG11 VAL 50 -17.190 -7.117 20.938 375 HG12 VAL 50 HG12 VAL 50 -15.821 -6.083 20.542 376 HG13 VAL 50 HG13 VAL 50 -16.386 -7.277 19.378 377 HG21 VAL 50 HG21 VAL 50 -18.723 -6.966 18.371 378 HG22 VAL 50 HG22 VAL 50 -19.599 -5.469 18.697 379 HG23 VAL 50 HG23 VAL 50 -19.406 -6.672 19.970 380 H ALA 51 H ALA 51 -16.611 -5.085 22.634 381 HA ALA 51 HA ALA 51 -14.840 -2.970 23.029 382 HB1 ALA 51 HB1 ALA 51 -15.134 -4.706 24.692 383 HB2 ALA 51 HB2 ALA 51 -13.432 -4.650 24.218 384 HB3 ALA 51 HB3 ALA 51 -14.489 -5.918 23.591 385 H VAL 52 H VAL 52 -12.951 -2.377 22.167 386 HA VAL 52 HA VAL 52 -12.399 -3.034 19.499 387 HB VAL 52 HB VAL 52 -10.711 -1.607 21.558 388 HG11 VAL 52 HG11 VAL 52 -10.311 -1.738 18.574 389 HG12 VAL 52 HG12 VAL 52 -9.263 -2.445 19.803 390 HG13 VAL 52 HG13 VAL 52 -9.425 -0.692 19.684 391 HG21 VAL 52 HG21 VAL 52 -12.576 -0.616 19.411 392 HG22 VAL 52 HG22 VAL 52 -11.472 0.419 20.314 393 HG23 VAL 52 HG23 VAL 52 -12.758 -0.445 21.157 394 H ASN 53 H ASN 53 -10.776 -3.942 22.489 395 HA ASN 53 HA ASN 53 -8.722 -5.412 21.156 396 HB2 ASN 53 HB2 ASN 53 -9.560 -5.295 24.048 397 HB3 ASN 53 HB3 ASN 53 -8.246 -6.323 23.481 398 HD21 ASN 53 HD21 ASN 53 -8.033 -4.176 25.331 399 HD22 ASN 53 HD22 ASN 53 -6.983 -2.994 24.632 400 H SER 54 H SER 54 -11.887 -6.162 22.276 401 HA SER 54 HA SER 54 -11.491 -9.011 22.225 402 HB2 SER 54 HB2 SER 54 -14.011 -7.380 22.476 403 HB3 SER 54 HB3 SER 54 -13.883 -9.121 22.708 404 HG SER 54 HG SER 54 -12.462 -8.740 24.431 405 H LEU 55 H LEU 55 -11.913 -6.705 19.867 406 HA LEU 55 HA LEU 55 -13.396 -8.472 18.065 407 HB2 LEU 55 HB2 LEU 55 -13.589 -5.832 18.314 408 HB3 LEU 55 HB3 LEU 55 -12.194 -5.842 17.260 409 HG LEU 55 HG LEU 55 -14.086 -5.490 15.886 410 HD11 LEU 55 HD11 LEU 55 -14.129 -7.401 14.398 411 HD12 LEU 55 HD12 LEU 55 -13.343 -8.383 15.634 412 HD13 LEU 55 HD13 LEU 55 -12.489 -7.017 14.919 413 HD21 LEU 55 HD21 LEU 55 -15.352 -7.888 17.185 414 HD22 LEU 55 HD22 LEU 55 -16.032 -6.965 15.844 415 HD23 LEU 55 HD23 LEU 55 -15.816 -6.203 17.420 416 H ARG 56 H ARG 56 -12.286 -9.789 16.710 417 HA ARG 56 HA ARG 56 -9.377 -9.393 16.665 418 HB2 ARG 56 HB2 ARG 56 -10.934 -11.968 16.415 419 HB3 ARG 56 HB3 ARG 56 -9.198 -11.834 16.205 420 HG2 ARG 56 HG2 ARG 56 -9.239 -12.502 18.369 421 HG3 ARG 56 HG3 ARG 56 -9.373 -10.765 18.631 422 HD2 ARG 56 HD2 ARG 56 -11.814 -10.986 18.788 423 HD3 ARG 56 HD3 ARG 56 -11.669 -12.726 18.535 424 HE ARG 56 HE ARG 56 -10.150 -11.681 20.759 425 HH11 ARG 56 HH11 ARG 56 -13.185 -13.166 19.747 426 HH12 ARG 56 HH12 ARG 56 -13.606 -13.667 21.350 427 HH21 ARG 56 HH21 ARG 56 -10.741 -12.344 22.878 428 HH22 ARG 56 HH22 ARG 56 -12.226 -13.192 23.130 429 H PHE 57 H PHE 57 -8.607 -8.652 14.846 430 HA PHE 57 HA PHE 57 -9.896 -9.429 12.349 431 HB2 PHE 57 HB2 PHE 57 -7.966 -7.238 13.054 432 HB3 PHE 57 HB3 PHE 57 -8.252 -7.739 11.391 433 HD1 PHE 57 HD1 PHE 57 -9.997 -6.498 14.410 434 HD2 PHE 57 HD2 PHE 57 -9.993 -6.904 10.195 435 HE1 PHE 57 HE1 PHE 57 -11.941 -4.997 14.262 436 HE2 PHE 57 HE2 PHE 57 -11.929 -5.416 10.036 437 HZ PHE 57 HZ PHE 57 -12.903 -4.462 12.064 438 H LEU 58 H LEU 58 -9.004 -10.775 11.045 439 HA LEU 58 HA LEU 58 -6.315 -11.749 11.686 440 HB2 LEU 58 HB2 LEU 58 -8.841 -13.135 11.076 441 HB3 LEU 58 HB3 LEU 58 -7.376 -13.811 10.406 442 HG LEU 58 HG LEU 58 -7.984 -14.885 12.415 443 HD11 LEU 58 HD11 LEU 58 -5.810 -15.059 12.035 444 HD12 LEU 58 HD12 LEU 58 -5.920 -14.577 13.731 445 HD13 LEU 58 HD13 LEU 58 -5.495 -13.396 12.492 446 HD21 LEU 58 HD21 LEU 58 -7.667 -12.242 13.800 447 HD22 LEU 58 HD22 LEU 58 -7.896 -13.789 14.615 448 HD23 LEU 58 HD23 LEU 58 -9.177 -13.130 13.600 449 H PHE 59 H PHE 59 -5.136 -12.489 10.050 450 HA PHE 59 HA PHE 59 -6.071 -11.922 7.330 451 HB2 PHE 59 HB2 PHE 59 -4.578 -10.069 7.943 452 HB3 PHE 59 HB3 PHE 59 -3.325 -11.226 8.380 453 HD1 PHE 59 HD1 PHE 59 -5.542 -10.512 5.480 454 HD2 PHE 59 HD2 PHE 59 -1.680 -11.624 6.844 455 HE1 PHE 59 HE1 PHE 59 -4.736 -10.532 3.150 456 HE2 PHE 59 HE2 PHE 59 -0.861 -11.658 4.524 457 HZ PHE 59 HZ PHE 59 -2.391 -11.111 2.673 458 H ASP 60 H ASP 60 -6.209 -13.830 6.450 459 HA ASP 60 HA ASP 60 -5.784 -15.959 5.808 460 HB2 ASP 60 HB2 ASP 60 -3.924 -14.684 4.710 461 HB3 ASP 60 HB3 ASP 60 -2.870 -15.191 6.022 462 H GLY 61 H GLY 61 -5.928 -15.439 8.670 463 HA2 GLY 61 HA2 GLY 61 -6.162 -17.140 10.321 464 HA3 GLY 61 HA3 GLY 61 -4.903 -18.054 9.509 465 H ARG 62 H ARG 62 -3.881 -14.908 9.764 466 HA ARG 62 HA ARG 62 -2.680 -15.364 12.425 467 HB2 ARG 62 HB2 ARG 62 -0.613 -14.317 11.643 468 HB3 ARG 62 HB3 ARG 62 -1.023 -15.699 10.635 469 HG2 ARG 62 HG2 ARG 62 -0.368 -14.210 9.044 470 HG3 ARG 62 HG3 ARG 62 -2.099 -13.883 9.106 471 HD2 ARG 62 HD2 ARG 62 -1.167 -11.761 9.145 472 HD3 ARG 62 HD3 ARG 62 -1.469 -12.092 10.850 473 HE ARG 62 HE ARG 62 1.173 -12.811 9.941 474 HH11 ARG 62 HH11 ARG 62 -0.840 -10.377 11.424 475 HH12 ARG 62 HH12 ARG 62 0.483 -9.389 11.944 476 HH21 ARG 62 HH21 ARG 62 2.953 -11.508 10.629 477 HH22 ARG 62 HH22 ARG 62 2.637 -10.022 11.477 478 H ARG 63 H ARG 63 -2.737 -13.766 13.785 479 HA ARG 63 HA ARG 63 -4.800 -11.889 13.242 480 HB2 ARG 63 HB2 ARG 63 -4.574 -11.250 15.571 481 HB3 ARG 63 HB3 ARG 63 -4.671 -12.990 15.373 482 HG2 ARG 63 HG2 ARG 63 -2.099 -12.906 15.479 483 HG3 ARG 63 HG3 ARG 63 -2.353 -11.308 16.190 484 HD2 ARG 63 HD2 ARG 63 -3.924 -12.379 17.806 485 HD3 ARG 63 HD3 ARG 63 -3.424 -13.930 17.120 486 HE ARG 63 HE ARG 63 -1.131 -12.553 17.913 487 HH11 ARG 63 HH11 ARG 63 -3.942 -14.076 19.359 488 HH12 ARG 63 HH12 ARG 63 -3.148 -14.444 20.846 489 HH21 ARG 63 HH21 ARG 63 -0.063 -13.037 19.873 490 HH22 ARG 63 HH22 ARG 63 -0.911 -13.840 21.147 491 H ILE 64 H ILE 64 -4.728 -9.707 13.284 492 HA ILE 64 HA ILE 64 -2.268 -8.597 12.192 493 HB ILE 64 HB ILE 64 -5.065 -7.449 12.407 494 HG12 ILE 64 HG12 ILE 64 -3.649 -8.627 10.016 495 HG13 ILE 64 HG13 ILE 64 -4.786 -9.520 11.017 496 HG21 ILE 64 HG21 ILE 64 -4.331 -5.790 10.812 497 HG22 ILE 64 HG22 ILE 64 -2.740 -6.543 10.721 498 HG23 ILE 64 HG23 ILE 64 -3.256 -5.747 12.216 499 HD11 ILE 64 HD11 ILE 64 -6.502 -7.828 10.446 500 HD12 ILE 64 HD12 ILE 64 -5.909 -8.778 9.088 501 HD13 ILE 64 HD13 ILE 64 -5.349 -7.116 9.313 502 H ASN 65 H ASN 65 -0.915 -7.488 13.369 503 HA ASN 65 HA ASN 65 -1.812 -6.350 15.935 504 HB2 ASN 65 HB2 ASN 65 0.942 -7.226 15.028 505 HB3 ASN 65 HB3 ASN 65 0.567 -6.544 16.600 506 HD21 ASN 65 HD21 ASN 65 0.504 -9.308 14.607 507 HD22 ASN 65 HD22 ASN 65 -0.063 -10.438 15.788 508 H ASP 66 H ASP 66 -0.821 -4.275 16.545 509 HA ASP 66 HA ASP 66 -0.647 -2.496 14.287 510 HB2 ASP 66 HB2 ASP 66 -0.289 -0.695 15.902 511 HB3 ASP 66 HB3 ASP 66 -1.649 -1.686 16.407 512 H ASP 67 H ASP 67 1.465 -4.481 15.871 513 HA ASP 67 HA ASP 67 3.846 -2.920 15.463 514 HB2 ASP 67 HB2 ASP 67 3.647 -4.521 17.335 515 HB3 ASP 67 HB3 ASP 67 3.542 -5.841 16.176 516 H ASP 68 H ASP 68 1.909 -5.062 13.603 517 HA ASP 68 HA ASP 68 3.915 -6.121 11.917 518 HB2 ASP 68 HB2 ASP 68 0.944 -5.815 11.541 519 HB3 ASP 68 HB3 ASP 68 1.990 -6.574 10.349 520 H THR 69 H THR 69 4.458 -5.620 9.828 521 HA THR 69 HA THR 69 4.088 -2.802 9.087 522 HB THR 69 HB THR 69 6.161 -3.106 7.741 523 HG1 THR 69 HG1 THR 69 7.054 -5.374 8.885 524 HG21 THR 69 HG21 THR 69 6.351 -2.269 10.040 525 HG22 THR 69 HG22 THR 69 7.740 -3.273 9.619 526 HG23 THR 69 HG23 THR 69 6.457 -3.925 10.638 527 HA PRO 70 HA PRO 70 1.866 -3.902 5.390 528 HB2 PRO 70 HB2 PRO 70 3.213 -2.475 3.441 529 HB3 PRO 70 HB3 PRO 70 2.008 -1.779 4.530 530 HG2 PRO 70 HG2 PRO 70 4.996 -1.746 4.742 531 HG3 PRO 70 HG3 PRO 70 3.837 -0.436 5.041 532 HD2 PRO 70 HD2 PRO 70 4.931 -1.774 7.065 533 HD3 PRO 70 HD3 PRO 70 3.225 -1.290 7.119 534 H LYS 71 H LYS 71 5.368 -4.171 5.347 535 HA LYS 71 HA LYS 71 5.682 -5.682 3.043 536 HB2 LYS 71 HB2 LYS 71 7.464 -4.394 4.098 537 HB3 LYS 71 HB3 LYS 71 7.308 -5.325 5.573 538 HG2 LYS 71 HG2 LYS 71 8.162 -6.500 2.949 539 HG3 LYS 71 HG3 LYS 71 9.274 -5.864 4.167 540 HD2 LYS 71 HD2 LYS 71 7.203 -7.828 4.844 541 HD3 LYS 71 HD3 LYS 71 8.746 -8.402 4.160 542 HE2 LYS 71 HE2 LYS 71 9.819 -7.079 6.069 543 HE3 LYS 71 HE3 LYS 71 8.175 -6.918 6.705 544 HZ1 LYS 71 HZ1 LYS 71 9.373 -9.553 6.100 545 HZ2 LYS 71 HZ2 LYS 71 8.006 -9.215 7.046 546 HZ3 LYS 71 HZ3 LYS 71 9.547 -8.814 7.608 547 H THR 72 H THR 72 5.155 -6.394 6.434 548 HA THR 72 HA THR 72 5.579 -9.173 6.155 549 HB THR 72 HB THR 72 5.321 -7.167 8.217 550 HG1 THR 72 HG1 THR 72 6.728 -9.094 9.131 551 HG21 THR 72 HG21 THR 72 4.699 -8.745 10.016 552 HG22 THR 72 HG22 THR 72 4.314 -9.954 8.783 553 HG23 THR 72 HG23 THR 72 3.400 -8.443 8.863 554 H LEU 73 H LEU 73 2.852 -6.974 6.685 555 HA LEU 73 HA LEU 73 0.931 -9.064 6.797 556 HB2 LEU 73 HB2 LEU 73 0.643 -6.128 6.158 557 HB3 LEU 73 HB3 LEU 73 -0.707 -7.233 6.336 558 HG LEU 73 HG LEU 73 1.276 -6.613 8.520 559 HD11 LEU 73 HD11 LEU 73 -1.515 -5.560 8.088 560 HD12 LEU 73 HD12 LEU 73 -0.020 -4.633 7.961 561 HD13 LEU 73 HD13 LEU 73 -0.522 -5.288 9.519 562 HD21 LEU 73 HD21 LEU 73 -1.356 -8.087 8.537 563 HD22 LEU 73 HD22 LEU 73 -0.399 -7.688 9.963 564 HD23 LEU 73 HD23 LEU 73 0.243 -8.800 8.755 565 H GLU 74 H GLU 74 2.670 -7.475 4.291 566 HA GLU 74 HA GLU 74 2.578 -7.481 2.030 567 HB2 GLU 74 HB2 GLU 74 1.756 -10.202 2.862 568 HB3 GLU 74 HB3 GLU 74 1.801 -9.819 1.137 569 HG2 GLU 74 HG2 GLU 74 4.170 -9.194 1.417 570 HG3 GLU 74 HG3 GLU 74 4.067 -9.663 3.111 571 H MET 75 H MET 75 0.251 -6.447 3.386 572 HA MET 75 HA MET 75 -2.057 -7.249 1.868 573 HB2 MET 75 HB2 MET 75 -3.257 -5.610 3.182 574 HB3 MET 75 HB3 MET 75 -2.246 -6.589 4.235 575 HG2 MET 75 HG2 MET 75 -0.547 -4.713 4.107 576 HG3 MET 75 HG3 MET 75 -1.821 -3.749 3.363 577 HE1 MET 75 HE1 MET 75 -4.384 -4.918 4.925 578 HE2 MET 75 HE2 MET 75 -4.153 -3.200 4.599 579 HE3 MET 75 HE3 MET 75 -4.520 -3.748 6.234 580 H GLU 76 H GLU 76 -3.388 -5.512 0.768 581 HA GLU 76 HA GLU 76 -1.812 -3.436 -0.461 582 HB2 GLU 76 HB2 GLU 76 -2.268 -4.254 -2.743 583 HB3 GLU 76 HB3 GLU 76 -1.236 -5.351 -1.834 584 HG2 GLU 76 HG2 GLU 76 -3.239 -6.725 -1.337 585 HG3 GLU 76 HG3 GLU 76 -4.166 -5.676 -2.407 586 H ASP 77 H ASP 77 -3.350 -2.646 -2.416 587 HA ASP 77 HA ASP 77 -5.539 -1.444 -1.162 588 HB2 ASP 77 HB2 ASP 77 -4.280 -0.501 -3.067 589 HB3 ASP 77 HB3 ASP 77 -4.969 -1.743 -4.106 590 H ASP 78 H ASP 78 -7.362 -2.308 -0.651 591 HA ASP 78 HA ASP 78 -9.361 -3.348 -0.685 592 HB2 ASP 78 HB2 ASP 78 -9.499 -2.434 -3.029 593 HB3 ASP 78 HB3 ASP 78 -8.866 -3.975 -3.596 594 H ASP 79 H ASP 79 -7.036 -4.713 0.150 595 HA ASP 79 HA ASP 79 -7.198 -7.407 -0.863 596 HB2 ASP 79 HB2 ASP 79 -5.137 -6.164 0.258 597 HB3 ASP 79 HB3 ASP 79 -5.864 -6.783 1.738 598 H VAL 80 H VAL 80 -7.313 -9.095 1.021 599 HA VAL 80 HA VAL 80 -9.988 -8.710 2.114 600 HB VAL 80 HB VAL 80 -10.029 -11.182 2.340 601 HG11 VAL 80 HG11 VAL 80 -10.116 -11.634 -0.105 602 HG12 VAL 80 HG12 VAL 80 -9.382 -10.046 -0.372 603 HG13 VAL 80 HG13 VAL 80 -10.971 -10.168 0.379 604 HG21 VAL 80 HG21 VAL 80 -7.347 -10.965 0.986 605 HG22 VAL 80 HG22 VAL 80 -8.262 -12.468 1.150 606 HG23 VAL 80 HG23 VAL 80 -7.671 -11.626 2.587 607 H ILE 81 H ILE 81 -10.405 -8.721 4.153 608 HA ILE 81 HA ILE 81 -8.366 -9.525 6.075 609 HB ILE 81 HB ILE 81 -9.944 -6.987 5.952 610 HG12 ILE 81 HG12 ILE 81 -7.740 -6.963 4.936 611 HG13 ILE 81 HG13 ILE 81 -7.756 -5.942 6.369 612 HG21 ILE 81 HG21 ILE 81 -10.428 -7.756 8.118 613 HG22 ILE 81 HG22 ILE 81 -9.248 -6.452 8.236 614 HG23 ILE 81 HG23 ILE 81 -8.730 -8.133 8.441 615 HD11 ILE 81 HD11 ILE 81 -6.660 -7.745 7.617 616 HD12 ILE 81 HD12 ILE 81 -5.707 -7.179 6.246 617 HD13 ILE 81 HD13 ILE 81 -6.587 -8.702 6.138 618 H GLU 82 H GLU 82 -9.088 -10.776 7.674 619 HA GLU 82 HA GLU 82 -11.921 -11.519 7.533 620 HB2 GLU 82 HB2 GLU 82 -9.576 -13.001 8.705 621 HB3 GLU 82 HB3 GLU 82 -11.218 -13.607 8.569 622 HG2 GLU 82 HG2 GLU 82 -11.070 -13.551 6.154 623 HG3 GLU 82 HG3 GLU 82 -9.445 -12.869 6.256 624 H VAL 83 H VAL 83 -13.159 -11.685 9.350 625 HA VAL 83 HA VAL 83 -11.956 -10.777 11.869 626 HB VAL 83 HB VAL 83 -14.731 -10.157 10.833 627 HG11 VAL 83 HG11 VAL 83 -13.566 -9.610 13.563 628 HG12 VAL 83 HG12 VAL 83 -14.855 -10.759 13.208 629 HG13 VAL 83 HG13 VAL 83 -15.125 -9.032 12.975 630 HG21 VAL 83 HG21 VAL 83 -12.500 -8.375 11.743 631 HG22 VAL 83 HG22 VAL 83 -14.051 -7.867 11.066 632 HG23 VAL 83 HG23 VAL 83 -12.885 -8.732 10.059 633 H TYR 84 H TYR 84 -12.173 -12.081 13.503 634 HA TYR 84 HA TYR 84 -13.888 -14.409 13.176 635 HB2 TYR 84 HB2 TYR 84 -11.330 -13.998 14.674 636 HB3 TYR 84 HB3 TYR 84 -12.427 -15.300 15.127 637 HD1 TYR 84 HD1 TYR 84 -10.474 -13.928 12.284 638 HD2 TYR 84 HD2 TYR 84 -12.515 -17.300 13.868 639 HE1 TYR 84 HE1 TYR 84 -9.598 -15.311 10.452 640 HE2 TYR 84 HE2 TYR 84 -11.644 -18.695 12.041 641 HH TYR 84 HH TYR 84 -9.143 -17.708 10.001 642 H GLN 85 H GLN 85 -14.586 -15.315 15.456 643 HA GLN 85 HA GLN 85 -16.601 -13.474 16.145 644 HB2 GLN 85 HB2 GLN 85 -16.929 -15.907 16.190 645 HB3 GLN 85 HB3 GLN 85 -15.800 -16.035 17.530 646 HG2 GLN 85 HG2 GLN 85 -17.284 -14.800 18.958 647 HG3 GLN 85 HG3 GLN 85 -18.383 -14.502 17.612 648 HE21 GLN 85 HE21 GLN 85 -20.082 -15.478 18.658 649 HE22 GLN 85 HE22 GLN 85 -20.198 -17.191 18.854 650 H GLU 86 H GLU 86 -16.933 -12.241 17.851 651 HA GLU 86 HA GLU 86 -14.561 -11.606 19.444 652 HB2 GLU 86 HB2 GLU 86 -15.417 -9.324 19.500 653 HB3 GLU 86 HB3 GLU 86 -15.207 -9.888 17.852 654 HG2 GLU 86 HG2 GLU 86 -17.824 -9.761 19.325 655 HG3 GLU 86 HG3 GLU 86 -17.254 -8.560 18.177 656 H GLN 87 H GLN 87 -14.994 -10.632 21.581 657 HA GLN 87 HA GLN 87 -16.501 -12.445 23.138 658 HB2 GLN 87 HB2 GLN 87 -14.461 -11.396 23.961 659 HB3 GLN 87 HB3 GLN 87 -15.232 -9.820 23.909 660 HG2 GLN 87 HG2 GLN 87 -16.780 -10.475 25.630 661 HG3 GLN 87 HG3 GLN 87 -16.105 -12.105 25.657 662 HE21 GLN 87 HE21 GLN 87 -15.499 -11.991 27.796 663 HE22 GLN 87 HE22 GLN 87 -14.210 -10.983 28.354 664 H LEU 88 H LEU 88 -17.084 -9.054 22.294 665 HA LEU 88 HA LEU 88 -19.601 -9.151 23.757 666 HB2 LEU 88 HB2 LEU 88 -17.961 -6.874 22.697 667 HB3 LEU 88 HB3 LEU 88 -19.606 -6.634 23.253 668 HG LEU 88 HG LEU 88 -18.215 -5.976 25.033 669 HD11 LEU 88 HD11 LEU 88 -18.716 -7.508 26.823 670 HD12 LEU 88 HD12 LEU 88 -19.035 -8.797 25.667 671 HD13 LEU 88 HD13 LEU 88 -20.087 -7.382 25.722 672 HD21 LEU 88 HD21 LEU 88 -16.688 -8.548 24.697 673 HD22 LEU 88 HD22 LEU 88 -16.403 -7.338 25.946 674 HD23 LEU 88 HD23 LEU 88 -16.127 -6.939 24.251 675 H GLY 89 H GLY 89 -18.743 -9.953 20.781 676 HA2 GLY 89 HA2 GLY 89 -20.956 -8.547 19.450 677 HA3 GLY 89 HA3 GLY 89 -19.644 -9.376 18.631 678 H GLY 90 H GLY 90 -21.157 -10.463 17.351 679 HA2 GLY 90 HA2 GLY 90 -22.220 -12.434 16.823 680 HA3 GLY 90 HA3 GLY 90 -22.099 -12.919 18.509 Start of MODEL 13 1 H MET 1 H MET 1 -20.199 -1.817 -21.162 2 HA MET 1 HA MET 1 -18.085 -1.270 -20.162 3 HB2 MET 1 HB2 MET 1 -19.920 1.054 -20.747 4 HB3 MET 1 HB3 MET 1 -18.187 1.227 -20.525 5 HG2 MET 1 HG2 MET 1 -17.778 -0.205 -22.441 6 HG3 MET 1 HG3 MET 1 -19.512 -0.450 -22.644 7 HE1 MET 1 HE1 MET 1 -17.408 2.814 -21.795 8 HE2 MET 1 HE2 MET 1 -17.249 3.497 -23.412 9 HE3 MET 1 HE3 MET 1 -16.489 1.952 -23.028 10 H ALA 2 H ALA 2 -16.906 -0.246 -18.584 11 HA ALA 2 HA ALA 2 -18.273 0.979 -16.342 12 HB1 ALA 2 HB1 ALA 2 -17.242 -0.514 -14.701 13 HB2 ALA 2 HB2 ALA 2 -16.546 -1.478 -16.003 14 HB3 ALA 2 HB3 ALA 2 -18.294 -1.419 -15.789 15 H ASP 3 H ASP 3 -16.816 2.153 -15.003 16 HA ASP 3 HA ASP 3 -14.458 3.013 -16.426 17 HB2 ASP 3 HB2 ASP 3 -15.578 3.911 -13.764 18 HB3 ASP 3 HB3 ASP 3 -14.208 4.652 -14.585 19 H ASP 4 H ASP 4 -12.361 3.101 -15.427 20 HA ASP 4 HA ASP 4 -11.541 0.596 -14.479 21 HB2 ASP 4 HB2 ASP 4 -9.365 1.709 -14.012 22 HB3 ASP 4 HB3 ASP 4 -9.974 2.030 -15.634 23 H ALA 5 H ALA 5 -12.185 3.623 -12.826 24 HA ALA 5 HA ALA 5 -12.446 4.198 -10.634 25 HB1 ALA 5 HB1 ALA 5 -13.254 1.298 -10.354 26 HB2 ALA 5 HB2 ALA 5 -14.324 2.625 -10.809 27 HB3 ALA 5 HB3 ALA 5 -13.605 2.585 -9.200 28 H ALA 6 H ALA 6 -9.845 3.341 -11.515 29 HA ALA 6 HA ALA 6 -8.788 2.015 -9.144 30 HB1 ALA 6 HB1 ALA 6 -8.318 0.884 -11.265 31 HB2 ALA 6 HB2 ALA 6 -6.840 1.480 -10.510 32 HB3 ALA 6 HB3 ALA 6 -7.546 2.348 -11.874 33 H GLN 7 H GLN 7 -7.398 3.018 -7.917 34 HA GLN 7 HA GLN 7 -6.459 5.678 -8.708 35 HB2 GLN 7 HB2 GLN 7 -7.507 4.718 -6.058 36 HB3 GLN 7 HB3 GLN 7 -6.653 6.247 -6.263 37 HG2 GLN 7 HG2 GLN 7 -8.423 7.056 -7.698 38 HG3 GLN 7 HG3 GLN 7 -9.231 5.491 -7.626 39 HE21 GLN 7 HE21 GLN 7 -10.235 8.094 -6.880 40 HE22 GLN 7 HE22 GLN 7 -10.681 7.989 -5.211 41 H ALA 8 H ALA 8 -4.439 6.291 -7.471 42 HA ALA 8 HA ALA 8 -2.559 4.224 -7.802 43 HB1 ALA 8 HB1 ALA 8 -2.286 6.835 -6.310 44 HB2 ALA 8 HB2 ALA 8 -2.008 6.607 -8.036 45 HB3 ALA 8 HB3 ALA 8 -0.960 5.810 -6.861 46 H GLY 9 H GLY 9 -4.244 5.589 -5.067 47 HA2 GLY 9 HA2 GLY 9 -4.747 4.519 -3.062 48 HA3 GLY 9 HA3 GLY 9 -3.603 3.247 -3.489 49 H ASP 10 H ASP 10 -1.937 5.698 -4.285 50 HA ASP 10 HA ASP 10 -0.036 6.646 -3.494 51 HB2 ASP 10 HB2 ASP 10 -1.905 8.099 -2.641 52 HB3 ASP 10 HB3 ASP 10 -1.744 7.291 -1.082 53 H ASN 11 H ASN 11 0.028 4.051 -3.238 54 HA ASN 11 HA ASN 11 0.462 3.207 -0.505 55 HB2 ASN 11 HB2 ASN 11 0.540 0.950 -1.433 56 HB3 ASN 11 HB3 ASN 11 -0.882 1.808 -2.014 57 HD21 ASN 11 HD21 ASN 11 0.394 -0.474 -3.199 58 HD22 ASN 11 HD22 ASN 11 0.906 -0.005 -4.776 59 H ALA 12 H ALA 12 2.301 4.843 -2.336 60 HA ALA 12 HA ALA 12 4.677 3.433 -2.703 61 HB1 ALA 12 HB1 ALA 12 4.162 5.555 -3.726 62 HB2 ALA 12 HB2 ALA 12 5.689 5.647 -2.833 63 HB3 ALA 12 HB3 ALA 12 4.207 6.331 -2.149 64 H GLU 13 H GLU 13 3.455 5.275 0.056 65 HA GLU 13 HA GLU 13 5.784 4.396 1.595 66 HB2 GLU 13 HB2 GLU 13 3.949 6.735 2.112 67 HB3 GLU 13 HB3 GLU 13 5.323 6.288 3.113 68 HG2 GLU 13 HG2 GLU 13 5.409 7.224 0.257 69 HG3 GLU 13 HG3 GLU 13 5.911 8.129 1.684 70 H TYR 14 H TYR 14 3.432 2.895 1.067 71 HA TYR 14 HA TYR 14 2.634 2.380 3.837 72 HB2 TYR 14 HB2 TYR 14 0.692 2.512 1.527 73 HB3 TYR 14 HB3 TYR 14 0.319 1.914 3.140 74 HD1 TYR 14 HD1 TYR 14 1.077 4.907 1.155 75 HD2 TYR 14 HD2 TYR 14 -0.029 3.427 4.978 76 HE1 TYR 14 HE1 TYR 14 0.460 7.181 1.847 77 HE2 TYR 14 HE2 TYR 14 -0.646 5.701 5.686 78 HH TYR 14 HH TYR 14 -0.937 8.285 3.460 79 H ILE 15 H ILE 15 1.781 0.291 4.221 80 HA ILE 15 HA ILE 15 2.949 -1.741 2.434 81 HB ILE 15 HB ILE 15 3.376 -3.081 4.347 82 HG12 ILE 15 HG12 ILE 15 1.604 -1.194 5.907 83 HG13 ILE 15 HG13 ILE 15 1.188 -2.819 5.359 84 HG21 ILE 15 HG21 ILE 15 4.654 -1.670 5.859 85 HG22 ILE 15 HG22 ILE 15 3.864 -0.244 5.186 86 HG23 ILE 15 HG23 ILE 15 4.920 -1.229 4.173 87 HD11 ILE 15 HD11 ILE 15 3.374 -2.166 7.325 88 HD12 ILE 15 HD12 ILE 15 2.855 -3.777 6.819 89 HD13 ILE 15 HD13 ILE 15 1.761 -2.741 7.742 90 H LYS 16 H LYS 16 1.663 -3.818 2.516 91 HA LYS 16 HA LYS 16 -1.158 -3.096 2.811 92 HB2 LYS 16 HB2 LYS 16 -0.337 -3.518 0.487 93 HB3 LYS 16 HB3 LYS 16 -0.123 -5.198 0.952 94 HG2 LYS 16 HG2 LYS 16 -2.375 -5.562 1.278 95 HG3 LYS 16 HG3 LYS 16 -2.756 -3.826 1.314 96 HD2 LYS 16 HD2 LYS 16 -3.535 -4.631 -0.780 97 HD3 LYS 16 HD3 LYS 16 -2.018 -3.806 -1.126 98 HE2 LYS 16 HE2 LYS 16 -0.855 -5.943 -1.133 99 HE3 LYS 16 HE3 LYS 16 -2.367 -6.771 -0.771 100 HZ1 LYS 16 HZ1 LYS 16 -3.258 -6.005 -2.872 101 HZ2 LYS 16 HZ2 LYS 16 -1.826 -6.865 -3.123 102 HZ3 LYS 16 HZ3 LYS 16 -1.824 -5.181 -3.215 103 H ILE 17 H ILE 17 -2.557 -4.479 3.701 104 HA ILE 17 HA ILE 17 -1.422 -6.872 4.955 105 HB ILE 17 HB ILE 17 -3.421 -4.932 6.101 106 HG12 ILE 17 HG12 ILE 17 -0.778 -5.913 7.186 107 HG13 ILE 17 HG13 ILE 17 -1.042 -4.363 6.394 108 HG21 ILE 17 HG21 ILE 17 -4.249 -7.150 6.556 109 HG22 ILE 17 HG22 ILE 17 -3.572 -6.480 8.041 110 HG23 ILE 17 HG23 ILE 17 -2.660 -7.670 7.110 111 HD11 ILE 17 HD11 ILE 17 -1.000 -4.092 8.793 112 HD12 ILE 17 HD12 ILE 17 -2.287 -5.283 8.973 113 HD13 ILE 17 HD13 ILE 17 -2.616 -3.747 8.173 114 H LYS 18 H LYS 18 -2.385 -8.701 4.455 115 HA LYS 18 HA LYS 18 -4.973 -8.552 3.088 116 HB2 LYS 18 HB2 LYS 18 -3.463 -11.119 3.373 117 HB3 LYS 18 HB3 LYS 18 -4.477 -10.563 2.067 118 HG2 LYS 18 HG2 LYS 18 -2.686 -8.933 1.392 119 HG3 LYS 18 HG3 LYS 18 -1.666 -9.647 2.635 120 HD2 LYS 18 HD2 LYS 18 -2.871 -11.191 0.345 121 HD3 LYS 18 HD3 LYS 18 -1.242 -10.516 0.342 122 HE2 LYS 18 HE2 LYS 18 -0.741 -11.852 2.366 123 HE3 LYS 18 HE3 LYS 18 -2.341 -12.579 2.239 124 HZ1 LYS 18 HZ1 LYS 18 -0.625 -13.977 1.275 125 HZ2 LYS 18 HZ2 LYS 18 -0.216 -12.760 0.178 126 HZ3 LYS 18 HZ3 LYS 18 -1.737 -13.490 0.101 127 H VAL 19 H VAL 19 -6.530 -8.554 4.538 128 HA VAL 19 HA VAL 19 -6.282 -9.888 7.077 129 HB VAL 19 HB VAL 19 -8.591 -8.403 5.807 130 HG11 VAL 19 HG11 VAL 19 -9.628 -8.383 7.970 131 HG12 VAL 19 HG12 VAL 19 -8.261 -9.250 8.672 132 HG13 VAL 19 HG13 VAL 19 -9.300 -10.049 7.493 133 HG21 VAL 19 HG21 VAL 19 -6.606 -7.511 7.899 134 HG22 VAL 19 HG22 VAL 19 -8.001 -6.582 7.351 135 HG23 VAL 19 HG23 VAL 19 -6.687 -6.945 6.231 136 H VAL 20 H VAL 20 -6.749 -11.999 7.298 137 HA VAL 20 HA VAL 20 -8.650 -13.178 5.397 138 HB VAL 20 HB VAL 20 -6.682 -14.573 7.231 139 HG11 VAL 20 HG11 VAL 20 -7.224 -16.580 5.927 140 HG12 VAL 20 HG12 VAL 20 -8.431 -15.663 5.028 141 HG13 VAL 20 HG13 VAL 20 -8.640 -15.936 6.757 142 HG21 VAL 20 HG21 VAL 20 -6.546 -14.104 4.252 143 HG22 VAL 20 HG22 VAL 20 -5.411 -15.069 5.195 144 HG23 VAL 20 HG23 VAL 20 -5.533 -13.332 5.473 145 H GLY 21 H GLY 21 -10.637 -13.267 6.140 146 HA2 GLY 21 HA2 GLY 21 -11.074 -13.299 9.034 147 HA3 GLY 21 HA3 GLY 21 -12.303 -13.026 7.818 148 H GLN 22 H GLN 22 -13.168 -14.594 9.649 149 HA GLN 22 HA GLN 22 -12.428 -17.351 9.230 150 HB2 GLN 22 HB2 GLN 22 -14.444 -16.026 11.010 151 HB3 GLN 22 HB3 GLN 22 -14.271 -17.768 10.889 152 HG2 GLN 22 HG2 GLN 22 -11.958 -17.600 11.636 153 HG3 GLN 22 HG3 GLN 22 -12.107 -15.847 11.713 154 HE21 GLN 22 HE21 GLN 22 -11.586 -15.827 13.866 155 HE22 GLN 22 HE22 GLN 22 -12.680 -16.353 15.099 156 H ASP 23 H ASP 23 -14.508 -15.218 7.869 157 HA ASP 23 HA ASP 23 -16.420 -17.159 6.892 158 HB2 ASP 23 HB2 ASP 23 -15.909 -14.282 6.085 159 HB3 ASP 23 HB3 ASP 23 -17.217 -15.277 5.464 160 H SER 24 H SER 24 -13.344 -16.997 6.440 161 HA SER 24 HA SER 24 -11.843 -17.579 4.851 162 HB2 SER 24 HB2 SER 24 -14.311 -18.455 3.326 163 HB3 SER 24 HB3 SER 24 -12.652 -18.911 2.932 164 HG SER 24 HG SER 24 -13.005 -19.466 5.480 165 H ASN 25 H ASN 25 -12.888 -14.974 5.002 166 HA ASN 25 HA ASN 25 -12.729 -14.111 2.199 167 HB2 ASN 25 HB2 ASN 25 -14.831 -13.462 3.177 168 HB3 ASN 25 HB3 ASN 25 -14.021 -12.716 4.549 169 HD21 ASN 25 HD21 ASN 25 -14.617 -12.475 1.101 170 HD22 ASN 25 HD22 ASN 25 -14.270 -10.788 0.964 171 H GLU 26 H GLU 26 -10.754 -13.620 1.752 172 HA GLU 26 HA GLU 26 -9.117 -12.112 3.620 173 HB2 GLU 26 HB2 GLU 26 -7.967 -13.918 2.515 174 HB3 GLU 26 HB3 GLU 26 -8.494 -13.354 0.932 175 HG2 GLU 26 HG2 GLU 26 -7.134 -11.293 1.331 176 HG3 GLU 26 HG3 GLU 26 -6.535 -12.043 2.809 177 H VAL 27 H VAL 27 -8.832 -10.018 3.454 178 HA VAL 27 HA VAL 27 -9.600 -8.639 0.982 179 HB VAL 27 HB VAL 27 -11.521 -8.445 2.492 180 HG11 VAL 27 HG11 VAL 27 -9.579 -7.230 4.430 181 HG12 VAL 27 HG12 VAL 27 -10.378 -8.796 4.597 182 HG13 VAL 27 HG13 VAL 27 -11.329 -7.307 4.642 183 HG21 VAL 27 HG21 VAL 27 -11.006 -6.540 1.060 184 HG22 VAL 27 HG22 VAL 27 -9.966 -5.866 2.314 185 HG23 VAL 27 HG23 VAL 27 -11.703 -6.007 2.591 186 H HIS 28 H HIS 28 -8.392 -6.893 0.479 187 HA HIS 28 HA HIS 28 -5.941 -6.757 2.054 188 HB2 HIS 28 HB2 HIS 28 -6.521 -6.048 -0.804 189 HB3 HIS 28 HB3 HIS 28 -4.979 -5.721 -0.018 190 HD2 HIS 28 HD2 HIS 28 -6.463 -9.140 0.887 191 HE1 HIS 28 HE1 HIS 28 -3.601 -9.808 -2.161 192 HE2 HIS 28 HE2 HIS 28 -5.219 -10.888 -0.555 193 H PHE 29 H PHE 29 -5.737 -5.179 3.357 194 HA PHE 29 HA PHE 29 -6.848 -2.543 2.682 195 HB2 PHE 29 HB2 PHE 29 -6.141 -3.782 5.332 196 HB3 PHE 29 HB3 PHE 29 -6.404 -2.061 5.145 197 HD1 PHE 29 HD1 PHE 29 -7.974 -5.353 5.214 198 HD2 PHE 29 HD2 PHE 29 -8.605 -1.179 4.717 199 HE1 PHE 29 HE1 PHE 29 -10.383 -5.674 5.541 200 HE2 PHE 29 HE2 PHE 29 -11.017 -1.498 5.044 201 HZ PHE 29 HZ PHE 29 -11.906 -3.746 5.459 202 H ARG 30 H ARG 30 -5.554 -0.760 2.753 203 HA ARG 30 HA ARG 30 -2.685 -1.344 2.735 204 HB2 ARG 30 HB2 ARG 30 -3.673 -0.327 0.697 205 HB3 ARG 30 HB3 ARG 30 -4.146 1.067 1.655 206 HG2 ARG 30 HG2 ARG 30 -2.166 1.650 0.528 207 HG3 ARG 30 HG3 ARG 30 -1.735 1.388 2.209 208 HD2 ARG 30 HD2 ARG 30 -0.065 0.353 0.824 209 HD3 ARG 30 HD3 ARG 30 -1.012 -0.902 1.626 210 HE ARG 30 HE ARG 30 -2.245 -0.577 -0.786 211 HH11 ARG 30 HH11 ARG 30 1.073 -1.200 0.165 212 HH12 ARG 30 HH12 ARG 30 1.405 -2.250 -1.166 213 HH21 ARG 30 HH21 ARG 30 -1.804 -1.975 -2.588 214 HH22 ARG 30 HH22 ARG 30 -0.234 -2.693 -2.738 215 H VAL 31 H VAL 31 -1.566 -0.764 4.437 216 HA VAL 31 HA VAL 31 -2.410 1.563 6.037 217 HB VAL 31 HB VAL 31 -1.931 0.402 8.115 218 HG11 VAL 31 HG11 VAL 31 -3.854 -1.141 8.163 219 HG12 VAL 31 HG12 VAL 31 -3.931 -1.070 6.401 220 HG13 VAL 31 HG13 VAL 31 -4.228 0.382 7.354 221 HG21 VAL 31 HG21 VAL 31 -1.541 -1.997 8.184 222 HG22 VAL 31 HG22 VAL 31 -0.277 -1.174 7.270 223 HG23 VAL 31 HG23 VAL 31 -1.547 -2.057 6.422 224 H LYS 32 H LYS 32 -0.645 2.173 7.607 225 HA LYS 32 HA LYS 32 1.897 2.159 6.170 226 HB2 LYS 32 HB2 LYS 32 0.670 4.218 7.242 227 HB3 LYS 32 HB3 LYS 32 1.378 3.627 8.731 228 HG2 LYS 32 HG2 LYS 32 3.611 3.809 7.795 229 HG3 LYS 32 HG3 LYS 32 2.937 4.360 6.260 230 HD2 LYS 32 HD2 LYS 32 1.908 6.277 7.531 231 HD3 LYS 32 HD3 LYS 32 2.860 5.756 8.922 232 HE2 LYS 32 HE2 LYS 32 3.989 6.553 6.236 233 HE3 LYS 32 HE3 LYS 32 3.949 7.580 7.666 234 HZ1 LYS 32 HZ1 LYS 32 5.406 4.996 7.441 235 HZ2 LYS 32 HZ2 LYS 32 5.375 5.998 8.799 236 HZ3 LYS 32 HZ3 LYS 32 6.104 6.532 7.379 237 H TYR 33 H TYR 33 3.903 1.740 7.433 238 HA TYR 33 HA TYR 33 3.900 -0.580 8.971 239 HB2 TYR 33 HB2 TYR 33 5.864 1.679 8.743 240 HB3 TYR 33 HB3 TYR 33 6.145 0.384 9.895 241 HD1 TYR 33 HD1 TYR 33 6.759 1.477 6.616 242 HD2 TYR 33 HD2 TYR 33 5.980 -2.043 8.872 243 HE1 TYR 33 HE1 TYR 33 7.801 0.117 4.847 244 HE2 TYR 33 HE2 TYR 33 7.018 -3.411 7.116 245 HH TYR 33 HH TYR 33 8.912 -2.142 4.676 246 H GLY 34 H GLY 34 3.627 2.791 10.004 247 HA2 GLY 34 HA2 GLY 34 3.615 1.997 12.813 248 HA3 GLY 34 HA3 GLY 34 3.676 3.641 12.198 249 H THR 35 H THR 35 1.366 1.542 10.760 250 HA THR 35 HA THR 35 -0.751 3.164 11.505 251 HB THR 35 HB THR 35 -0.386 0.670 9.997 252 HG1 THR 35 HG1 THR 35 -1.431 3.211 9.633 253 HG21 THR 35 HG21 THR 35 -2.831 0.255 9.850 254 HG22 THR 35 HG22 THR 35 -3.061 1.406 11.169 255 HG23 THR 35 HG23 THR 35 -2.151 -0.079 11.443 256 H SER 36 H SER 36 -2.274 3.003 13.040 257 HA SER 36 HA SER 36 -1.740 1.191 15.254 258 HB2 SER 36 HB2 SER 36 -3.506 3.617 14.992 259 HB3 SER 36 HB3 SER 36 -3.327 2.676 16.477 260 HG SER 36 HG SER 36 -0.893 3.223 15.635 261 H MET 37 H MET 37 -3.520 0.061 16.291 262 HA MET 37 HA MET 37 -4.890 -1.634 14.607 263 HB2 MET 37 HB2 MET 37 -6.143 -2.397 16.513 264 HB3 MET 37 HB3 MET 37 -4.492 -2.055 17.005 265 HG2 MET 37 HG2 MET 37 -5.190 0.042 17.996 266 HG3 MET 37 HG3 MET 37 -6.839 -0.216 17.436 267 HE1 MET 37 HE1 MET 37 -7.745 0.210 19.900 268 HE2 MET 37 HE2 MET 37 -6.095 0.474 20.465 269 HE3 MET 37 HE3 MET 37 -7.151 -0.651 21.319 270 H ALA 38 H ALA 38 -5.985 1.480 15.785 271 HA ALA 38 HA ALA 38 -8.729 1.158 15.333 272 HB1 ALA 38 HB1 ALA 38 -8.891 3.553 15.404 273 HB2 ALA 38 HB2 ALA 38 -7.153 3.709 15.164 274 HB3 ALA 38 HB3 ALA 38 -7.777 2.993 16.655 275 H LYS 39 H LYS 39 -6.124 2.090 13.176 276 HA LYS 39 HA LYS 39 -7.654 3.177 11.100 277 HB2 LYS 39 HB2 LYS 39 -5.025 1.693 10.961 278 HB3 LYS 39 HB3 LYS 39 -5.702 2.678 9.678 279 HG2 LYS 39 HG2 LYS 39 -4.919 3.694 12.404 280 HG3 LYS 39 HG3 LYS 39 -3.969 3.878 10.930 281 HD2 LYS 39 HD2 LYS 39 -5.901 5.086 9.926 282 HD3 LYS 39 HD3 LYS 39 -6.702 5.002 11.496 283 HE2 LYS 39 HE2 LYS 39 -4.053 6.330 10.952 284 HE3 LYS 39 HE3 LYS 39 -5.595 7.167 11.112 285 HZ1 LYS 39 HZ1 LYS 39 -5.738 6.256 13.391 286 HZ2 LYS 39 HZ2 LYS 39 -4.425 7.292 13.164 287 HZ3 LYS 39 HZ3 LYS 39 -4.177 5.624 13.214 288 H LEU 40 H LEU 40 -6.724 -0.134 11.792 289 HA LEU 40 HA LEU 40 -7.971 -1.061 9.358 290 HB2 LEU 40 HB2 LEU 40 -7.279 -3.365 10.300 291 HB3 LEU 40 HB3 LEU 40 -6.061 -2.292 9.656 292 HG LEU 40 HG LEU 40 -6.578 -2.328 12.624 293 HD11 LEU 40 HD11 LEU 40 -4.811 -4.246 11.086 294 HD12 LEU 40 HD12 LEU 40 -6.287 -4.678 11.950 295 HD13 LEU 40 HD13 LEU 40 -4.885 -4.085 12.841 296 HD21 LEU 40 HD21 LEU 40 -4.234 -1.699 12.691 297 HD22 LEU 40 HD22 LEU 40 -5.094 -0.622 11.591 298 HD23 LEU 40 HD23 LEU 40 -4.098 -1.921 10.951 299 H LYS 41 H LYS 41 -8.500 -1.347 12.836 300 HA LYS 41 HA LYS 41 -10.703 -3.122 12.733 301 HB2 LYS 41 HB2 LYS 41 -9.870 -1.064 14.751 302 HB3 LYS 41 HB3 LYS 41 -11.189 -2.199 14.985 303 HG2 LYS 41 HG2 LYS 41 -9.766 -4.039 15.057 304 HG3 LYS 41 HG3 LYS 41 -8.417 -3.120 14.376 305 HD2 LYS 41 HD2 LYS 41 -8.108 -3.431 16.756 306 HD3 LYS 41 HD3 LYS 41 -8.358 -1.731 16.344 307 HE2 LYS 41 HE2 LYS 41 -10.706 -1.897 17.036 308 HE3 LYS 41 HE3 LYS 41 -10.479 -3.600 17.429 309 HZ1 LYS 41 HZ1 LYS 41 -10.402 -1.984 19.331 310 HZ2 LYS 41 HZ2 LYS 41 -8.913 -1.450 18.736 311 HZ3 LYS 41 HZ3 LYS 41 -9.100 -3.057 19.231 312 H LYS 42 H LYS 42 -10.593 0.376 12.892 313 HA LYS 42 HA LYS 42 -13.382 0.737 12.829 314 HB2 LYS 42 HB2 LYS 42 -11.807 2.550 13.390 315 HB3 LYS 42 HB3 LYS 42 -11.231 2.558 11.730 316 HG2 LYS 42 HG2 LYS 42 -13.396 3.295 10.945 317 HG3 LYS 42 HG3 LYS 42 -14.051 3.194 12.578 318 HD2 LYS 42 HD2 LYS 42 -13.546 5.494 12.119 319 HD3 LYS 42 HD3 LYS 42 -12.366 4.895 13.284 320 HE2 LYS 42 HE2 LYS 42 -11.217 6.217 11.641 321 HE3 LYS 42 HE3 LYS 42 -10.781 4.528 11.405 322 HZ1 LYS 42 HZ1 LYS 42 -12.772 6.049 9.802 323 HZ2 LYS 42 HZ2 LYS 42 -12.385 4.423 9.580 324 HZ3 LYS 42 HZ3 LYS 42 -11.221 5.607 9.303 325 H SER 43 H SER 43 -10.982 0.404 10.330 326 HA SER 43 HA SER 43 -12.672 0.974 8.130 327 HB2 SER 43 HB2 SER 43 -10.003 -0.410 8.379 328 HB3 SER 43 HB3 SER 43 -10.794 -0.152 6.810 329 HG SER 43 HG SER 43 -9.392 1.553 8.362 330 H TYR 44 H TYR 44 -11.574 -2.137 9.494 331 HA TYR 44 HA TYR 44 -13.051 -3.701 7.638 332 HB2 TYR 44 HB2 TYR 44 -11.045 -4.423 8.852 333 HB3 TYR 44 HB3 TYR 44 -11.998 -4.508 10.329 334 HD1 TYR 44 HD1 TYR 44 -11.135 -6.149 7.233 335 HD2 TYR 44 HD2 TYR 44 -13.839 -6.149 10.489 336 HE1 TYR 44 HE1 TYR 44 -11.819 -8.431 6.640 337 HE2 TYR 44 HE2 TYR 44 -14.534 -8.433 9.933 338 HH TYR 44 HH TYR 44 -12.830 -10.400 7.781 339 H ALA 45 H ALA 45 -13.638 -2.741 10.994 340 HA ALA 45 HA ALA 45 -16.007 -4.181 11.382 341 HB1 ALA 45 HB1 ALA 45 -14.821 -3.027 13.211 342 HB2 ALA 45 HB2 ALA 45 -16.533 -2.616 13.175 343 HB3 ALA 45 HB3 ALA 45 -15.340 -1.474 12.559 344 H ASP 46 H ASP 46 -15.348 -1.273 9.704 345 HA ASP 46 HA ASP 46 -17.943 -0.217 9.411 346 HB2 ASP 46 HB2 ASP 46 -15.973 1.086 8.905 347 HB3 ASP 46 HB3 ASP 46 -15.523 -0.023 7.623 348 H ARG 47 H ARG 47 -16.071 -2.407 7.328 349 HA ARG 47 HA ARG 47 -18.055 -2.551 5.291 350 HB2 ARG 47 HB2 ARG 47 -16.658 -4.142 4.222 351 HB3 ARG 47 HB3 ARG 47 -15.575 -3.012 5.021 352 HG2 ARG 47 HG2 ARG 47 -15.424 -4.677 6.913 353 HG3 ARG 47 HG3 ARG 47 -16.263 -5.816 5.861 354 HD2 ARG 47 HD2 ARG 47 -13.640 -4.452 5.289 355 HD3 ARG 47 HD3 ARG 47 -13.845 -6.133 5.769 356 HE ARG 47 HE ARG 47 -14.410 -4.951 3.166 357 HH11 ARG 47 HH11 ARG 47 -14.592 -7.821 5.192 358 HH12 ARG 47 HH12 ARG 47 -14.702 -8.906 3.855 359 HH21 ARG 47 HH21 ARG 47 -14.594 -6.397 1.407 360 HH22 ARG 47 HH22 ARG 47 -14.709 -8.093 1.690 361 H THR 48 H THR 48 -17.590 -4.205 8.265 362 HA THR 48 HA THR 48 -19.471 -6.288 7.460 363 HB THR 48 HB THR 48 -17.453 -7.169 8.426 364 HG1 THR 48 HG1 THR 48 -19.853 -7.424 9.839 365 HG21 THR 48 HG21 THR 48 -16.680 -5.309 9.721 366 HG22 THR 48 HG22 THR 48 -16.855 -6.702 10.792 367 HG23 THR 48 HG23 THR 48 -18.075 -5.427 10.793 368 H GLY 49 H GLY 49 -19.498 -3.323 9.046 369 HA2 GLY 49 HA2 GLY 49 -21.209 -2.213 10.112 370 HA3 GLY 49 HA3 GLY 49 -22.246 -3.571 9.708 371 H VAL 50 H VAL 50 -19.327 -3.553 11.711 372 HA VAL 50 HA VAL 50 -21.011 -4.365 13.983 373 HB VAL 50 HB VAL 50 -19.623 -6.209 12.813 374 HG11 VAL 50 HG11 VAL 50 -17.548 -4.970 12.601 375 HG12 VAL 50 HG12 VAL 50 -17.325 -6.453 13.524 376 HG13 VAL 50 HG13 VAL 50 -17.403 -4.900 14.357 377 HG21 VAL 50 HG21 VAL 50 -20.734 -6.513 14.939 378 HG22 VAL 50 HG22 VAL 50 -19.365 -5.779 15.778 379 HG23 VAL 50 HG23 VAL 50 -19.166 -7.314 14.946 380 H ALA 51 H ALA 51 -19.869 -4.088 16.114 381 HA ALA 51 HA ALA 51 -18.905 -1.496 16.510 382 HB1 ALA 51 HB1 ALA 51 -18.259 -2.337 18.766 383 HB2 ALA 51 HB2 ALA 51 -18.666 -3.970 18.229 384 HB3 ALA 51 HB3 ALA 51 -19.916 -2.733 18.317 385 H VAL 52 H VAL 52 -16.940 -0.637 16.621 386 HA VAL 52 HA VAL 52 -14.914 -1.729 15.038 387 HB VAL 52 HB VAL 52 -14.833 0.549 17.016 388 HG11 VAL 52 HG11 VAL 52 -12.766 -0.205 14.952 389 HG12 VAL 52 HG12 VAL 52 -12.570 -0.286 16.703 390 HG13 VAL 52 HG13 VAL 52 -12.767 1.277 15.909 391 HG21 VAL 52 HG21 VAL 52 -14.927 1.946 14.982 392 HG22 VAL 52 HG22 VAL 52 -16.350 0.921 15.173 393 HG23 VAL 52 HG23 VAL 52 -15.097 0.482 14.013 394 H ASN 53 H ASN 53 -15.213 -1.561 18.565 395 HA ASN 53 HA ASN 53 -12.661 -2.903 18.823 396 HB2 ASN 53 HB2 ASN 53 -14.563 -1.841 20.887 397 HB3 ASN 53 HB3 ASN 53 -13.188 -2.852 21.325 398 HD21 ASN 53 HD21 ASN 53 -13.669 -0.110 22.042 399 HD22 ASN 53 HD22 ASN 53 -12.340 0.800 21.410 400 H SER 54 H SER 54 -15.846 -3.929 18.419 401 HA SER 54 HA SER 54 -15.478 -6.401 19.849 402 HB2 SER 54 HB2 SER 54 -17.595 -7.092 18.915 403 HB3 SER 54 HB3 SER 54 -17.754 -5.427 19.466 404 HG SER 54 HG SER 54 -17.054 -5.123 17.028 405 H LEU 55 H LEU 55 -14.513 -5.080 16.946 406 HA LEU 55 HA LEU 55 -14.004 -7.665 15.693 407 HB2 LEU 55 HB2 LEU 55 -15.021 -5.611 14.480 408 HB3 LEU 55 HB3 LEU 55 -13.417 -4.924 14.572 409 HG LEU 55 HG LEU 55 -13.944 -5.918 12.377 410 HD11 LEU 55 HD11 LEU 55 -11.882 -7.195 12.093 411 HD12 LEU 55 HD12 LEU 55 -11.712 -7.298 13.845 412 HD13 LEU 55 HD13 LEU 55 -11.626 -5.730 13.043 413 HD21 LEU 55 HD21 LEU 55 -15.368 -7.746 13.129 414 HD22 LEU 55 HD22 LEU 55 -13.974 -8.541 13.863 415 HD23 LEU 55 HD23 LEU 55 -14.053 -8.338 12.115 416 H ARG 56 H ARG 56 -11.946 -8.469 15.721 417 HA ARG 56 HA ARG 56 -9.849 -6.649 16.609 418 HB2 ARG 56 HB2 ARG 56 -8.996 -8.308 18.216 419 HB3 ARG 56 HB3 ARG 56 -10.596 -7.724 18.641 420 HG2 ARG 56 HG2 ARG 56 -10.339 -10.259 17.087 421 HG3 ARG 56 HG3 ARG 56 -9.996 -10.267 18.815 422 HD2 ARG 56 HD2 ARG 56 -12.570 -9.325 17.536 423 HD3 ARG 56 HD3 ARG 56 -12.334 -10.886 18.323 424 HE ARG 56 HE ARG 56 -11.748 -8.593 19.980 425 HH11 ARG 56 HH11 ARG 56 -14.221 -10.898 18.983 426 HH12 ARG 56 HH12 ARG 56 -15.211 -10.611 20.365 427 HH21 ARG 56 HH21 ARG 56 -13.091 -8.190 21.784 428 HH22 ARG 56 HH22 ARG 56 -14.585 -9.042 21.959 429 H PHE 57 H PHE 57 -7.954 -6.923 15.720 430 HA PHE 57 HA PHE 57 -7.609 -9.179 13.864 431 HB2 PHE 57 HB2 PHE 57 -6.198 -6.521 14.032 432 HB3 PHE 57 HB3 PHE 57 -5.793 -7.804 12.903 433 HD1 PHE 57 HD1 PHE 57 -7.940 -5.044 13.627 434 HD2 PHE 57 HD2 PHE 57 -7.434 -8.467 11.199 435 HE1 PHE 57 HE1 PHE 57 -9.535 -4.146 12.009 436 HE2 PHE 57 HE2 PHE 57 -9.037 -7.567 9.590 437 HZ PHE 57 HZ PHE 57 -10.087 -5.412 9.998 438 H LEU 58 H LEU 58 -5.922 -10.519 14.066 439 HA LEU 58 HA LEU 58 -3.928 -9.884 16.104 440 HB2 LEU 58 HB2 LEU 58 -5.522 -12.377 15.806 441 HB3 LEU 58 HB3 LEU 58 -3.862 -12.507 16.351 442 HG LEU 58 HG LEU 58 -4.567 -10.743 18.115 443 HD11 LEU 58 HD11 LEU 58 -7.260 -11.868 17.443 444 HD12 LEU 58 HD12 LEU 58 -6.732 -10.209 17.165 445 HD13 LEU 58 HD13 LEU 58 -6.877 -10.827 18.811 446 HD21 LEU 58 HD21 LEU 58 -3.905 -13.016 18.629 447 HD22 LEU 58 HD22 LEU 58 -5.547 -13.579 18.305 448 HD23 LEU 58 HD23 LEU 58 -5.234 -12.487 19.658 449 H PHE 59 H PHE 59 -1.890 -10.353 15.639 450 HA PHE 59 HA PHE 59 -1.346 -11.352 12.927 451 HB2 PHE 59 HB2 PHE 59 -0.556 -9.034 13.485 452 HB3 PHE 59 HB3 PHE 59 0.428 -9.726 14.769 453 HD1 PHE 59 HD1 PHE 59 0.200 -9.016 11.264 454 HD2 PHE 59 HD2 PHE 59 2.274 -11.302 14.168 455 HE1 PHE 59 HE1 PHE 59 2.040 -9.358 9.665 456 HE2 PHE 59 HE2 PHE 59 4.133 -11.647 12.588 457 HZ PHE 59 HZ PHE 59 4.012 -10.672 10.330 458 H ASP 60 H ASP 60 -0.604 -13.369 12.893 459 HA ASP 60 HA ASP 60 0.259 -15.387 13.551 460 HB2 ASP 60 HB2 ASP 60 2.267 -13.920 13.279 461 HB3 ASP 60 HB3 ASP 60 2.263 -13.664 15.016 462 H GLY 61 H GLY 61 -1.782 -14.288 15.247 463 HA2 GLY 61 HA2 GLY 61 -2.905 -15.257 17.049 464 HA3 GLY 61 HA3 GLY 61 -1.426 -16.095 17.487 465 H ARG 62 H ARG 62 -0.978 -12.745 17.007 466 HA ARG 62 HA ARG 62 -1.300 -12.268 19.897 467 HB2 ARG 62 HB2 ARG 62 0.742 -11.028 19.974 468 HB3 ARG 62 HB3 ARG 62 1.091 -12.528 19.126 469 HG2 ARG 62 HG2 ARG 62 2.149 -11.157 17.698 470 HG3 ARG 62 HG3 ARG 62 0.530 -10.954 17.032 471 HD2 ARG 62 HD2 ARG 62 1.315 -8.777 17.261 472 HD3 ARG 62 HD3 ARG 62 0.307 -9.015 18.689 473 HE ARG 62 HE ARG 62 3.055 -9.668 19.139 474 HH11 ARG 62 HH11 ARG 62 0.684 -7.079 19.145 475 HH12 ARG 62 HH12 ARG 62 1.683 -5.988 20.049 476 HH21 ARG 62 HH21 ARG 62 4.362 -8.235 20.376 477 HH22 ARG 62 HH22 ARG 62 3.758 -6.666 20.772 478 H ARG 63 H ARG 63 -1.841 -10.155 20.531 479 HA ARG 63 HA ARG 63 -3.847 -9.019 18.883 480 HB2 ARG 63 HB2 ARG 63 -2.605 -7.982 21.429 481 HB3 ARG 63 HB3 ARG 63 -4.045 -7.323 20.674 482 HG2 ARG 63 HG2 ARG 63 -3.779 -10.136 21.710 483 HG3 ARG 63 HG3 ARG 63 -4.534 -8.797 22.578 484 HD2 ARG 63 HD2 ARG 63 -5.407 -9.922 19.927 485 HD3 ARG 63 HD3 ARG 63 -6.200 -10.193 21.476 486 HE ARG 63 HE ARG 63 -5.957 -7.472 20.351 487 HH11 ARG 63 HH11 ARG 63 -7.945 -10.080 21.587 488 HH12 ARG 63 HH12 ARG 63 -9.387 -9.137 21.644 489 HH21 ARG 63 HH21 ARG 63 -7.862 -6.210 20.411 490 HH22 ARG 63 HH22 ARG 63 -9.343 -6.905 20.974 491 H ILE 64 H ILE 64 -3.896 -7.259 17.631 492 HA ILE 64 HA ILE 64 -1.422 -5.700 17.350 493 HB ILE 64 HB ILE 64 -3.905 -5.718 15.603 494 HG12 ILE 64 HG12 ILE 64 -1.186 -6.904 15.004 495 HG13 ILE 64 HG13 ILE 64 -2.555 -7.846 15.584 496 HG21 ILE 64 HG21 ILE 64 -2.608 -4.375 14.037 497 HG22 ILE 64 HG22 ILE 64 -1.194 -4.485 15.080 498 HG23 ILE 64 HG23 ILE 64 -2.607 -3.579 15.617 499 HD11 ILE 64 HD11 ILE 64 -2.344 -8.070 13.201 500 HD12 ILE 64 HD12 ILE 64 -2.395 -6.317 13.000 501 HD13 ILE 64 HD13 ILE 64 -3.815 -7.181 13.588 502 H ASN 65 H ASN 65 -1.412 -3.983 18.672 503 HA ASN 65 HA ASN 65 -3.972 -2.631 19.150 504 HB2 ASN 65 HB2 ASN 65 -1.564 -2.915 20.939 505 HB3 ASN 65 HB3 ASN 65 -2.891 -1.806 21.263 506 HD21 ASN 65 HD21 ASN 65 -1.957 -4.086 22.804 507 HD22 ASN 65 HD22 ASN 65 -3.315 -5.142 22.964 508 H ASP 66 H ASP 66 -3.625 -0.296 19.855 509 HA ASP 66 HA ASP 66 -2.462 1.064 17.630 510 HB2 ASP 66 HB2 ASP 66 -3.265 3.106 18.738 511 HB3 ASP 66 HB3 ASP 66 -4.520 1.873 18.686 512 H ASP 67 H ASP 67 -1.200 0.015 20.595 513 HA ASP 67 HA ASP 67 0.784 2.123 20.711 514 HB2 ASP 67 HB2 ASP 67 0.218 -0.198 22.543 515 HB3 ASP 67 HB3 ASP 67 1.499 0.969 22.778 516 H ASP 68 H ASP 68 0.367 -0.894 19.332 517 HA ASP 68 HA ASP 68 3.024 -1.862 19.627 518 HB2 ASP 68 HB2 ASP 68 0.757 -2.679 17.838 519 HB3 ASP 68 HB3 ASP 68 2.345 -3.435 17.767 520 H THR 69 H THR 69 4.617 -2.061 18.094 521 HA THR 69 HA THR 69 4.627 0.080 16.088 522 HB THR 69 HB THR 69 7.092 -0.046 16.272 523 HG1 THR 69 HG1 THR 69 7.593 -1.395 18.390 524 HG21 THR 69 HG21 THR 69 5.890 1.498 17.752 525 HG22 THR 69 HG22 THR 69 7.312 0.836 18.559 526 HG23 THR 69 HG23 THR 69 5.710 0.215 18.949 527 HA PRO 70 HA PRO 70 5.025 -2.848 12.756 528 HB2 PRO 70 HB2 PRO 70 7.193 -1.865 11.359 529 HB3 PRO 70 HB3 PRO 70 5.561 -1.197 11.253 530 HG2 PRO 70 HG2 PRO 70 7.875 -0.270 12.917 531 HG3 PRO 70 HG3 PRO 70 6.740 0.691 11.948 532 HD2 PRO 70 HD2 PRO 70 6.457 0.523 14.583 533 HD3 PRO 70 HD3 PRO 70 5.036 0.485 13.521 534 H LYS 71 H LYS 71 7.777 -2.154 14.783 535 HA LYS 71 HA LYS 71 9.539 -4.098 13.889 536 HB2 LYS 71 HB2 LYS 71 9.975 -1.974 15.234 537 HB3 LYS 71 HB3 LYS 71 9.268 -2.788 16.614 538 HG2 LYS 71 HG2 LYS 71 11.761 -3.614 15.147 539 HG3 LYS 71 HG3 LYS 71 11.675 -2.815 16.720 540 HD2 LYS 71 HD2 LYS 71 10.208 -5.270 16.193 541 HD3 LYS 71 HD3 LYS 71 11.948 -5.405 16.584 542 HE2 LYS 71 HE2 LYS 71 11.317 -4.016 18.665 543 HE3 LYS 71 HE3 LYS 71 9.643 -4.355 18.220 544 HZ1 LYS 71 HZ1 LYS 71 10.185 -6.743 18.325 545 HZ2 LYS 71 HZ2 LYS 71 10.361 -5.961 19.812 546 HZ3 LYS 71 HZ3 LYS 71 11.725 -6.351 18.900 547 H THR 72 H THR 72 7.046 -3.962 16.397 548 HA THR 72 HA THR 72 7.682 -6.645 17.268 549 HB THR 72 HB THR 72 7.296 -4.829 18.951 550 HG1 THR 72 HG1 THR 72 6.665 -7.304 19.102 551 HG21 THR 72 HG21 THR 72 4.990 -4.179 19.481 552 HG22 THR 72 HG22 THR 72 4.412 -5.105 18.094 553 HG23 THR 72 HG23 THR 72 5.435 -3.689 17.845 554 H LEU 73 H LEU 73 5.133 -4.884 15.622 555 HA LEU 73 HA LEU 73 3.361 -7.112 15.468 556 HB2 LEU 73 HB2 LEU 73 3.565 -4.625 13.767 557 HB3 LEU 73 HB3 LEU 73 2.271 -5.803 13.657 558 HG LEU 73 HG LEU 73 2.894 -4.161 16.097 559 HD11 LEU 73 HD11 LEU 73 0.692 -3.857 14.062 560 HD12 LEU 73 HD12 LEU 73 2.065 -2.771 14.277 561 HD13 LEU 73 HD13 LEU 73 0.857 -2.930 15.552 562 HD21 LEU 73 HD21 LEU 73 0.624 -6.038 15.454 563 HD22 LEU 73 HD22 LEU 73 0.695 -4.984 16.866 564 HD23 LEU 73 HD23 LEU 73 1.877 -6.278 16.671 565 H GLU 74 H GLU 74 6.184 -6.077 13.862 566 HA GLU 74 HA GLU 74 7.457 -6.875 12.200 567 HB2 GLU 74 HB2 GLU 74 6.067 -9.349 13.113 568 HB3 GLU 74 HB3 GLU 74 7.506 -9.354 12.085 569 HG2 GLU 74 HG2 GLU 74 8.747 -8.262 13.879 570 HG3 GLU 74 HG3 GLU 74 7.293 -8.246 14.875 571 H MET 75 H MET 75 4.895 -5.832 11.376 572 HA MET 75 HA MET 75 3.924 -7.537 9.254 573 HB2 MET 75 HB2 MET 75 3.234 -4.663 9.889 574 HB3 MET 75 HB3 MET 75 2.393 -5.695 8.740 575 HG2 MET 75 HG2 MET 75 1.816 -7.204 10.624 576 HG3 MET 75 HG3 MET 75 2.526 -6.025 11.720 577 HE1 MET 75 HE1 MET 75 1.575 -3.620 12.145 578 HE2 MET 75 HE2 MET 75 0.173 -2.943 11.319 579 HE3 MET 75 HE3 MET 75 1.665 -3.236 10.427 580 H GLU 76 H GLU 76 3.878 -6.863 7.018 581 HA GLU 76 HA GLU 76 5.645 -4.786 6.180 582 HB2 GLU 76 HB2 GLU 76 7.074 -6.256 4.807 583 HB3 GLU 76 HB3 GLU 76 7.277 -6.547 6.525 584 HG2 GLU 76 HG2 GLU 76 5.771 -8.506 6.309 585 HG3 GLU 76 HG3 GLU 76 5.754 -8.240 4.564 586 H ASP 77 H ASP 77 5.840 -5.277 3.554 587 HA ASP 77 HA ASP 77 3.280 -4.634 2.677 588 HB2 ASP 77 HB2 ASP 77 4.183 -4.839 0.388 589 HB3 ASP 77 HB3 ASP 77 5.206 -3.877 1.444 590 H ASP 78 H ASP 78 1.616 -5.723 2.362 591 HA ASP 78 HA ASP 78 0.081 -7.245 1.778 592 HB2 ASP 78 HB2 ASP 78 2.180 -8.833 0.305 593 HB3 ASP 78 HB3 ASP 78 0.443 -8.795 0.080 594 H ASP 79 H ASP 79 1.525 -7.548 4.254 595 HA ASP 79 HA ASP 79 1.993 -10.365 4.597 596 HB2 ASP 79 HB2 ASP 79 2.868 -8.303 6.042 597 HB3 ASP 79 HB3 ASP 79 1.400 -8.654 6.955 598 H VAL 80 H VAL 80 0.721 -11.290 6.654 599 HA VAL 80 HA VAL 80 -2.087 -11.108 5.815 600 HB VAL 80 HB VAL 80 -2.301 -13.478 6.569 601 HG11 VAL 80 HG11 VAL 80 -1.998 -12.974 4.226 602 HG12 VAL 80 HG12 VAL 80 -1.095 -14.435 4.634 603 HG13 VAL 80 HG13 VAL 80 -0.252 -12.894 4.442 604 HG21 VAL 80 HG21 VAL 80 -0.482 -13.640 8.111 605 HG22 VAL 80 HG22 VAL 80 0.679 -13.206 6.860 606 HG23 VAL 80 HG23 VAL 80 -0.161 -14.758 6.781 607 H ILE 81 H ILE 81 -3.653 -11.119 7.326 608 HA ILE 81 HA ILE 81 -2.847 -10.911 10.132 609 HB ILE 81 HB ILE 81 -3.964 -8.832 8.471 610 HG12 ILE 81 HG12 ILE 81 -3.572 -7.465 10.548 611 HG13 ILE 81 HG13 ILE 81 -3.107 -8.956 11.358 612 HG21 ILE 81 HG21 ILE 81 -6.142 -9.583 9.143 613 HG22 ILE 81 HG22 ILE 81 -5.764 -8.052 9.933 614 HG23 ILE 81 HG23 ILE 81 -5.658 -9.563 10.840 615 HD11 ILE 81 HD11 ILE 81 -1.278 -9.243 9.774 616 HD12 ILE 81 HD12 ILE 81 -1.171 -7.696 10.617 617 HD13 ILE 81 HD13 ILE 81 -1.753 -7.756 8.956 618 H GLU 82 H GLU 82 -4.329 -11.716 11.621 619 HA GLU 82 HA GLU 82 -6.409 -13.397 10.393 620 HB2 GLU 82 HB2 GLU 82 -5.015 -13.701 13.044 621 HB3 GLU 82 HB3 GLU 82 -6.197 -14.811 12.368 622 HG2 GLU 82 HG2 GLU 82 -4.715 -15.316 10.520 623 HG3 GLU 82 HG3 GLU 82 -3.531 -14.167 11.135 624 H VAL 83 H VAL 83 -8.472 -13.337 11.144 625 HA VAL 83 HA VAL 83 -9.055 -11.257 13.137 626 HB VAL 83 HB VAL 83 -10.721 -12.103 10.767 627 HG11 VAL 83 HG11 VAL 83 -12.160 -11.589 12.684 628 HG12 VAL 83 HG12 VAL 83 -12.289 -10.341 11.445 629 HG13 VAL 83 HG13 VAL 83 -11.329 -10.048 12.894 630 HG21 VAL 83 HG21 VAL 83 -9.388 -9.506 11.426 631 HG22 VAL 83 HG22 VAL 83 -10.369 -9.843 9.997 632 HG23 VAL 83 HG23 VAL 83 -8.832 -10.679 10.233 633 H TYR 84 H TYR 84 -10.210 -11.764 14.835 634 HA TYR 84 HA TYR 84 -11.248 -14.468 15.049 635 HB2 TYR 84 HB2 TYR 84 -10.418 -12.426 17.093 636 HB3 TYR 84 HB3 TYR 84 -11.408 -13.813 17.533 637 HD1 TYR 84 HD1 TYR 84 -8.135 -12.836 16.079 638 HD2 TYR 84 HD2 TYR 84 -10.440 -15.949 17.833 639 HE1 TYR 84 HE1 TYR 84 -6.122 -14.232 16.242 640 HE2 TYR 84 HE2 TYR 84 -8.432 -17.350 18.000 641 HH TYR 84 HH TYR 84 -6.200 -17.499 16.762 642 H GLN 85 H GLN 85 -13.280 -14.549 16.526 643 HA GLN 85 HA GLN 85 -15.276 -13.458 14.858 644 HB2 GLN 85 HB2 GLN 85 -15.493 -15.630 15.958 645 HB3 GLN 85 HB3 GLN 85 -15.523 -14.843 17.528 646 HG2 GLN 85 HG2 GLN 85 -17.747 -15.472 16.858 647 HG3 GLN 85 HG3 GLN 85 -17.603 -13.716 16.912 648 HE21 GLN 85 HE21 GLN 85 -19.292 -13.397 15.527 649 HE22 GLN 85 HE22 GLN 85 -19.195 -13.742 13.833 650 H GLU 86 H GLU 86 -16.528 -11.735 15.020 651 HA GLU 86 HA GLU 86 -15.894 -9.786 17.022 652 HB2 GLU 86 HB2 GLU 86 -17.171 -8.256 15.679 653 HB3 GLU 86 HB3 GLU 86 -16.153 -9.208 14.614 654 HG2 GLU 86 HG2 GLU 86 -19.008 -9.924 15.122 655 HG3 GLU 86 HG3 GLU 86 -18.558 -8.740 13.904 656 H GLN 87 H GLN 87 -17.360 -8.854 18.449 657 HA GLN 87 HA GLN 87 -18.955 -10.759 19.790 658 HB2 GLN 87 HB2 GLN 87 -17.762 -8.993 20.973 659 HB3 GLN 87 HB3 GLN 87 -18.763 -7.777 20.197 660 HG2 GLN 87 HG2 GLN 87 -19.450 -8.171 22.480 661 HG3 GLN 87 HG3 GLN 87 -20.716 -8.606 21.337 662 HE21 GLN 87 HE21 GLN 87 -18.322 -9.834 23.548 663 HE22 GLN 87 HE22 GLN 87 -18.982 -11.425 23.697 664 H LEU 88 H LEU 88 -19.843 -7.930 17.855 665 HA LEU 88 HA LEU 88 -22.639 -8.520 18.324 666 HB2 LEU 88 HB2 LEU 88 -21.317 -6.240 16.905 667 HB3 LEU 88 HB3 LEU 88 -23.053 -6.384 17.139 668 HG LEU 88 HG LEU 88 -20.954 -6.054 19.280 669 HD11 LEU 88 HD11 LEU 88 -23.130 -4.197 18.346 670 HD12 LEU 88 HD12 LEU 88 -21.417 -4.042 17.969 671 HD13 LEU 88 HD13 LEU 88 -21.969 -3.885 19.637 672 HD21 LEU 88 HD21 LEU 88 -23.950 -6.332 19.517 673 HD22 LEU 88 HD22 LEU 88 -22.869 -5.860 20.827 674 HD23 LEU 88 HD23 LEU 88 -22.737 -7.466 20.112 675 H GLY 89 H GLY 89 -20.325 -9.247 15.988 676 HA2 GLY 89 HA2 GLY 89 -21.944 -9.195 13.660 677 HA3 GLY 89 HA3 GLY 89 -20.492 -10.160 13.867 678 H GLY 90 H GLY 90 -21.204 -11.743 15.996 679 HA2 GLY 90 HA2 GLY 90 -23.503 -12.920 16.410 680 HA3 GLY 90 HA3 GLY 90 -23.231 -13.431 14.748 Start of MODEL 14 1 H MET 1 H MET 1 -4.624 -3.224 -23.984 2 HA MET 1 HA MET 1 -2.705 -2.817 -26.191 3 HB2 MET 1 HB2 MET 1 -3.353 -1.124 -23.773 4 HB3 MET 1 HB3 MET 1 -1.914 -0.910 -24.753 5 HG2 MET 1 HG2 MET 1 -3.292 -0.385 -26.684 6 HG3 MET 1 HG3 MET 1 -4.749 -0.640 -25.723 7 HE1 MET 1 HE1 MET 1 -4.660 3.252 -26.274 8 HE2 MET 1 HE2 MET 1 -5.599 1.776 -26.491 9 HE3 MET 1 HE3 MET 1 -4.116 2.019 -27.410 10 H ALA 2 H ALA 2 -0.514 -3.038 -25.574 11 HA ALA 2 HA ALA 2 -0.022 -5.113 -23.686 12 HB1 ALA 2 HB1 ALA 2 1.316 -4.903 -25.714 13 HB2 ALA 2 HB2 ALA 2 2.339 -4.787 -24.282 14 HB3 ALA 2 HB3 ALA 2 1.907 -3.331 -25.177 15 H ASP 3 H ASP 3 1.216 -4.970 -21.775 16 HA ASP 3 HA ASP 3 0.699 -2.551 -20.304 17 HB2 ASP 3 HB2 ASP 3 0.358 -4.734 -19.242 18 HB3 ASP 3 HB3 ASP 3 2.071 -5.098 -19.433 19 H ASP 4 H ASP 4 1.981 -0.893 -20.489 20 HA ASP 4 HA ASP 4 4.717 -1.090 -21.319 21 HB2 ASP 4 HB2 ASP 4 3.131 1.277 -20.297 22 HB3 ASP 4 HB3 ASP 4 4.758 1.373 -20.955 23 H ALA 5 H ALA 5 3.030 -0.938 -18.315 24 HA ALA 5 HA ALA 5 3.665 -0.941 -16.142 25 HB1 ALA 5 HB1 ALA 5 4.905 -2.952 -16.811 26 HB2 ALA 5 HB2 ALA 5 5.755 -2.061 -15.550 27 HB3 ALA 5 HB3 ALA 5 6.298 -1.954 -17.225 28 H ALA 6 H ALA 6 3.496 1.442 -16.675 29 HA ALA 6 HA ALA 6 6.025 2.864 -16.599 30 HB1 ALA 6 HB1 ALA 6 4.275 3.672 -18.090 31 HB2 ALA 6 HB2 ALA 6 4.654 4.876 -16.858 32 HB3 ALA 6 HB3 ALA 6 3.195 3.897 -16.716 33 H GLN 7 H GLN 7 6.969 2.985 -14.685 34 HA GLN 7 HA GLN 7 7.388 3.309 -12.499 35 HB2 GLN 7 HB2 GLN 7 5.059 5.142 -12.906 36 HB3 GLN 7 HB3 GLN 7 5.993 5.086 -11.418 37 HG2 GLN 7 HG2 GLN 7 7.988 5.751 -12.598 38 HG3 GLN 7 HG3 GLN 7 7.133 5.673 -14.136 39 HE21 GLN 7 HE21 GLN 7 8.537 7.891 -12.956 40 HE22 GLN 7 HE22 GLN 7 7.393 9.175 -12.800 41 H ALA 8 H ALA 8 5.981 3.639 -10.265 42 HA ALA 8 HA ALA 8 5.150 1.023 -9.705 43 HB1 ALA 8 HB1 ALA 8 6.158 2.547 -8.076 44 HB2 ALA 8 HB2 ALA 8 4.636 1.860 -7.502 45 HB3 ALA 8 HB3 ALA 8 4.690 3.521 -8.095 46 H GLY 9 H GLY 9 3.376 3.988 -10.380 47 HA2 GLY 9 HA2 GLY 9 1.183 4.239 -11.066 48 HA3 GLY 9 HA3 GLY 9 0.978 2.489 -10.967 49 H ASP 10 H ASP 10 2.387 3.912 -8.314 50 HA ASP 10 HA ASP 10 -0.091 3.693 -6.766 51 HB2 ASP 10 HB2 ASP 10 2.780 3.311 -5.911 52 HB3 ASP 10 HB3 ASP 10 1.407 3.290 -4.801 53 H ASN 11 H ASN 11 -0.756 5.398 -5.628 54 HA ASN 11 HA ASN 11 0.966 7.780 -5.704 55 HB2 ASN 11 HB2 ASN 11 -1.077 9.146 -5.968 56 HB3 ASN 11 HB3 ASN 11 -0.823 8.043 -7.314 57 HD21 ASN 11 HD21 ASN 11 -2.944 7.994 -7.937 58 HD22 ASN 11 HD22 ASN 11 -4.193 7.249 -7.003 59 H ALA 12 H ALA 12 0.417 5.703 -3.603 60 HA ALA 12 HA ALA 12 0.097 7.594 -1.458 61 HB1 ALA 12 HB1 ALA 12 -1.646 6.338 -0.349 62 HB2 ALA 12 HB2 ALA 12 -1.708 5.207 -1.708 63 HB3 ALA 12 HB3 ALA 12 -2.182 6.892 -1.939 64 H GLU 13 H GLU 13 0.878 6.801 0.528 65 HA GLU 13 HA GLU 13 2.694 4.551 0.188 66 HB2 GLU 13 HB2 GLU 13 3.910 5.437 2.109 67 HB3 GLU 13 HB3 GLU 13 3.682 6.675 0.876 68 HG2 GLU 13 HG2 GLU 13 1.975 7.739 2.124 69 HG3 GLU 13 HG3 GLU 13 1.875 6.396 3.257 70 H TYR 14 H TYR 14 -0.102 4.338 0.728 71 HA TYR 14 HA TYR 14 -0.093 3.152 3.401 72 HB2 TYR 14 HB2 TYR 14 -2.389 3.981 1.640 73 HB3 TYR 14 HB3 TYR 14 -2.572 3.039 3.115 74 HD1 TYR 14 HD1 TYR 14 -1.452 6.324 1.815 75 HD2 TYR 14 HD2 TYR 14 -2.556 4.050 5.231 76 HE1 TYR 14 HE1 TYR 14 -1.555 8.390 3.160 77 HE2 TYR 14 HE2 TYR 14 -2.660 6.098 6.577 78 HH TYR 14 HH TYR 14 -2.682 9.183 5.233 79 H ILE 15 H ILE 15 -1.135 1.133 3.705 80 HA ILE 15 HA ILE 15 -0.624 -0.652 1.423 81 HB ILE 15 HB ILE 15 0.135 -2.311 2.947 82 HG12 ILE 15 HG12 ILE 15 -0.880 -0.524 5.160 83 HG13 ILE 15 HG13 ILE 15 -1.620 -2.022 4.583 84 HG21 ILE 15 HG21 ILE 15 1.175 0.334 3.907 85 HG22 ILE 15 HG22 ILE 15 1.767 -0.579 2.518 86 HG23 ILE 15 HG23 ILE 15 1.951 -1.231 4.145 87 HD11 ILE 15 HD11 ILE 15 -0.390 -2.345 6.661 88 HD12 ILE 15 HD12 ILE 15 1.090 -1.802 5.868 89 HD13 ILE 15 HD13 ILE 15 0.293 -3.285 5.333 90 H LYS 16 H LYS 16 -1.942 -2.575 1.455 91 HA LYS 16 HA LYS 16 -4.651 -1.954 2.337 92 HB2 LYS 16 HB2 LYS 16 -3.869 -2.579 -0.034 93 HB3 LYS 16 HB3 LYS 16 -3.894 -4.224 0.582 94 HG2 LYS 16 HG2 LYS 16 -6.275 -3.636 1.365 95 HG3 LYS 16 HG3 LYS 16 -6.153 -2.338 0.169 96 HD2 LYS 16 HD2 LYS 16 -5.802 -5.297 -0.334 97 HD3 LYS 16 HD3 LYS 16 -7.203 -4.331 -0.786 98 HE2 LYS 16 HE2 LYS 16 -5.821 -3.013 -2.299 99 HE3 LYS 16 HE3 LYS 16 -4.396 -3.933 -1.813 100 HZ1 LYS 16 HZ1 LYS 16 -6.770 -4.945 -3.270 101 HZ2 LYS 16 HZ2 LYS 16 -5.578 -5.947 -2.613 102 HZ3 LYS 16 HZ3 LYS 16 -5.176 -4.852 -3.842 103 H ILE 17 H ILE 17 -5.797 -3.343 3.596 104 HA ILE 17 HA ILE 17 -4.457 -5.791 4.504 105 HB ILE 17 HB ILE 17 -6.105 -3.873 6.142 106 HG12 ILE 17 HG12 ILE 17 -3.762 -3.244 5.887 107 HG13 ILE 17 HG13 ILE 17 -4.112 -3.710 7.548 108 HG21 ILE 17 HG21 ILE 17 -6.695 -6.236 6.593 109 HG22 ILE 17 HG22 ILE 17 -6.012 -5.386 7.973 110 HG23 ILE 17 HG23 ILE 17 -5.017 -6.525 7.058 111 HD11 ILE 17 HD11 ILE 17 -3.094 -5.909 7.107 112 HD12 ILE 17 HD12 ILE 17 -1.969 -4.574 6.861 113 HD13 ILE 17 HD13 ILE 17 -2.698 -5.376 5.471 114 H LYS 18 H LYS 18 -5.587 -7.599 4.162 115 HA LYS 18 HA LYS 18 -8.404 -7.252 3.435 116 HB2 LYS 18 HB2 LYS 18 -7.173 -9.954 3.419 117 HB3 LYS 18 HB3 LYS 18 -8.319 -9.242 2.317 118 HG2 LYS 18 HG2 LYS 18 -6.408 -7.883 1.319 119 HG3 LYS 18 HG3 LYS 18 -5.336 -8.856 2.323 120 HD2 LYS 18 HD2 LYS 18 -7.269 -9.962 0.299 121 HD3 LYS 18 HD3 LYS 18 -5.535 -9.746 0.043 122 HE2 LYS 18 HE2 LYS 18 -5.073 -11.288 1.878 123 HE3 LYS 18 HE3 LYS 18 -6.802 -11.494 2.155 124 HZ1 LYS 18 HZ1 LYS 18 -5.952 -13.322 0.881 125 HZ2 LYS 18 HZ2 LYS 18 -5.301 -12.289 -0.280 126 HZ3 LYS 18 HZ3 LYS 18 -6.976 -12.409 -0.103 127 H VAL 19 H VAL 19 -9.572 -7.147 5.220 128 HA VAL 19 HA VAL 19 -8.971 -8.688 7.556 129 HB VAL 19 HB VAL 19 -11.336 -6.932 6.831 130 HG11 VAL 19 HG11 VAL 19 -11.924 -6.990 9.170 131 HG12 VAL 19 HG12 VAL 19 -10.588 -8.104 9.487 132 HG13 VAL 19 HG13 VAL 19 -11.941 -8.611 8.476 133 HG21 VAL 19 HG21 VAL 19 -8.934 -6.393 8.578 134 HG22 VAL 19 HG22 VAL 19 -10.318 -5.316 8.390 135 HG23 VAL 19 HG23 VAL 19 -9.274 -5.661 7.008 136 H VAL 20 H VAL 20 -9.388 -10.815 7.473 137 HA VAL 20 HA VAL 20 -11.808 -11.706 6.054 138 HB VAL 20 HB VAL 20 -9.329 -13.309 6.727 139 HG11 VAL 20 HG11 VAL 20 -10.302 -15.017 5.246 140 HG12 VAL 20 HG12 VAL 20 -11.753 -14.027 5.084 141 HG13 VAL 20 HG13 VAL 20 -11.312 -14.694 6.656 142 HG21 VAL 20 HG21 VAL 20 -8.844 -13.264 4.326 143 HG22 VAL 20 HG22 VAL 20 -8.846 -11.641 5.014 144 HG23 VAL 20 HG23 VAL 20 -10.224 -12.199 4.066 145 H GLY 21 H GLY 21 -13.387 -12.266 7.348 146 HA2 GLY 21 HA2 GLY 21 -12.742 -12.965 10.126 147 HA3 GLY 21 HA3 GLY 21 -14.333 -12.522 9.519 148 H GLN 22 H GLN 22 -13.817 -14.720 11.184 149 HA GLN 22 HA GLN 22 -13.702 -17.145 9.730 150 HB2 GLN 22 HB2 GLN 22 -14.581 -18.194 11.720 151 HB3 GLN 22 HB3 GLN 22 -13.311 -17.040 12.121 152 HG2 GLN 22 HG2 GLN 22 -14.894 -15.473 12.911 153 HG3 GLN 22 HG3 GLN 22 -16.234 -16.442 12.300 154 HE21 GLN 22 HE21 GLN 22 -16.875 -18.246 13.412 155 HE22 GLN 22 HE22 GLN 22 -16.355 -18.605 15.018 156 H ASP 23 H ASP 23 -16.001 -14.902 10.335 157 HA ASP 23 HA ASP 23 -18.387 -16.257 9.596 158 HB2 ASP 23 HB2 ASP 23 -18.355 -14.107 10.806 159 HB3 ASP 23 HB3 ASP 23 -17.618 -13.324 9.418 160 H SER 24 H SER 24 -15.677 -15.984 7.886 161 HA SER 24 HA SER 24 -15.027 -16.176 5.736 162 HB2 SER 24 HB2 SER 24 -17.962 -16.707 5.224 163 HB3 SER 24 HB3 SER 24 -16.650 -17.046 4.095 164 HG SER 24 HG SER 24 -17.573 -18.665 5.886 165 H ASN 25 H ASN 25 -15.695 -13.689 6.840 166 HA ASN 25 HA ASN 25 -16.703 -12.199 4.506 167 HB2 ASN 25 HB2 ASN 25 -18.017 -11.969 6.572 168 HB3 ASN 25 HB3 ASN 25 -16.609 -11.320 7.401 169 HD21 ASN 25 HD21 ASN 25 -19.211 -10.131 6.977 170 HD22 ASN 25 HD22 ASN 25 -18.955 -8.661 6.106 171 H GLU 26 H GLU 26 -15.032 -11.586 3.345 172 HA GLU 26 HA GLU 26 -12.714 -10.405 4.690 173 HB2 GLU 26 HB2 GLU 26 -12.051 -12.098 3.108 174 HB3 GLU 26 HB3 GLU 26 -13.017 -11.354 1.835 175 HG2 GLU 26 HG2 GLU 26 -11.555 -9.342 2.000 176 HG3 GLU 26 HG3 GLU 26 -10.560 -10.210 3.161 177 H VAL 27 H VAL 27 -12.262 -8.346 4.546 178 HA VAL 27 HA VAL 27 -13.527 -6.700 2.499 179 HB VAL 27 HB VAL 27 -15.005 -6.462 4.436 180 HG11 VAL 27 HG11 VAL 27 -14.209 -5.555 6.541 181 HG12 VAL 27 HG12 VAL 27 -12.556 -5.560 5.921 182 HG13 VAL 27 HG13 VAL 27 -13.409 -7.085 6.169 183 HG21 VAL 27 HG21 VAL 27 -14.851 -4.015 4.734 184 HG22 VAL 27 HG22 VAL 27 -14.673 -4.505 3.047 185 HG23 VAL 27 HG23 VAL 27 -13.252 -4.051 3.987 186 H HIS 28 H HIS 28 -12.314 -5.031 1.811 187 HA HIS 28 HA HIS 28 -9.540 -5.181 2.702 188 HB2 HIS 28 HB2 HIS 28 -10.776 -4.049 0.205 189 HB3 HIS 28 HB3 HIS 28 -9.056 -3.959 0.574 190 HD2 HIS 28 HD2 HIS 28 -9.714 -7.358 1.669 191 HE1 HIS 28 HE1 HIS 28 -9.402 -7.765 -2.534 192 HE2 HIS 28 HE2 HIS 28 -9.762 -8.959 -0.351 193 H PHE 29 H PHE 29 -8.897 -3.771 4.077 194 HA PHE 29 HA PHE 29 -9.918 -1.027 3.894 195 HB2 PHE 29 HB2 PHE 29 -8.884 -2.579 6.246 196 HB3 PHE 29 HB3 PHE 29 -8.956 -0.827 6.256 197 HD1 PHE 29 HD1 PHE 29 -10.801 -3.886 6.658 198 HD2 PHE 29 HD2 PHE 29 -11.172 0.296 5.990 199 HE1 PHE 29 HE1 PHE 29 -13.148 -3.978 7.371 200 HE2 PHE 29 HE2 PHE 29 -13.520 0.210 6.706 201 HZ PHE 29 HZ PHE 29 -14.512 -1.931 7.399 202 H ARG 30 H ARG 30 -8.478 0.662 3.941 203 HA ARG 30 HA ARG 30 -5.748 -0.111 3.229 204 HB2 ARG 30 HB2 ARG 30 -7.008 1.220 1.573 205 HB3 ARG 30 HB3 ARG 30 -7.184 2.510 2.759 206 HG2 ARG 30 HG2 ARG 30 -5.410 3.170 1.394 207 HG3 ARG 30 HG3 ARG 30 -4.652 2.548 2.851 208 HD2 ARG 30 HD2 ARG 30 -3.420 1.664 1.025 209 HD3 ARG 30 HD3 ARG 30 -4.409 0.348 1.661 210 HE ARG 30 HE ARG 30 -5.829 1.579 -0.403 211 HH11 ARG 30 HH11 ARG 30 -2.890 -0.270 0.037 212 HH12 ARG 30 HH12 ARG 30 -2.960 -1.045 -1.498 213 HH21 ARG 30 HH21 ARG 30 -5.939 0.572 -2.486 214 HH22 ARG 30 HH22 ARG 30 -4.714 -0.552 -2.956 215 H VAL 31 H VAL 31 -4.247 0.201 4.667 216 HA VAL 31 HA VAL 31 -4.571 2.241 6.784 217 HB VAL 31 HB VAL 31 -3.689 0.729 8.449 218 HG11 VAL 31 HG11 VAL 31 -6.090 0.799 8.254 219 HG12 VAL 31 HG12 VAL 31 -5.585 -0.844 8.652 220 HG13 VAL 31 HG13 VAL 31 -6.060 -0.441 7.001 221 HG21 VAL 31 HG21 VAL 31 -2.283 -0.670 7.090 222 HG22 VAL 31 HG22 VAL 31 -3.691 -1.338 6.268 223 HG23 VAL 31 HG23 VAL 31 -3.425 -1.682 7.978 224 H LYS 32 H LYS 32 -2.401 2.546 7.887 225 HA LYS 32 HA LYS 32 -0.342 2.750 5.810 226 HB2 LYS 32 HB2 LYS 32 -1.131 4.591 7.541 227 HB3 LYS 32 HB3 LYS 32 -0.052 3.738 8.626 228 HG2 LYS 32 HG2 LYS 32 1.806 4.125 7.065 229 HG3 LYS 32 HG3 LYS 32 0.714 5.029 6.014 230 HD2 LYS 32 HD2 LYS 32 0.222 6.503 8.025 231 HD3 LYS 32 HD3 LYS 32 1.583 5.693 8.806 232 HE2 LYS 32 HE2 LYS 32 1.755 7.219 6.207 233 HE3 LYS 32 HE3 LYS 32 2.183 7.876 7.782 234 HZ1 LYS 32 HZ1 LYS 32 4.079 7.051 6.461 235 HZ2 LYS 32 HZ2 LYS 32 3.458 5.486 6.590 236 HZ3 LYS 32 HZ3 LYS 32 3.944 6.314 7.976 237 H TYR 33 H TYR 33 1.897 1.928 6.347 238 HA TYR 33 HA TYR 33 1.996 -0.546 7.672 239 HB2 TYR 33 HB2 TYR 33 4.242 1.479 7.517 240 HB3 TYR 33 HB3 TYR 33 4.416 -0.189 7.973 241 HD1 TYR 33 HD1 TYR 33 4.221 2.106 5.192 242 HD2 TYR 33 HD2 TYR 33 4.104 -1.994 6.297 243 HE1 TYR 33 HE1 TYR 33 4.725 1.472 2.867 244 HE2 TYR 33 HE2 TYR 33 4.600 -2.642 3.981 245 HH TYR 33 HH TYR 33 4.385 -1.695 1.714 246 H GLY 34 H GLY 34 2.385 2.747 8.748 247 HA2 GLY 34 HA2 GLY 34 3.068 2.031 11.451 248 HA3 GLY 34 HA3 GLY 34 2.917 3.650 10.795 249 H THR 35 H THR 35 0.381 1.401 10.196 250 HA THR 35 HA THR 35 -1.477 3.070 11.431 251 HB THR 35 HB THR 35 -1.522 0.702 9.771 252 HG1 THR 35 HG1 THR 35 -3.781 2.204 9.825 253 HG21 THR 35 HG21 THR 35 -3.774 -0.089 10.425 254 HG22 THR 35 HG22 THR 35 -3.712 0.951 11.847 255 HG23 THR 35 HG23 THR 35 -2.581 -0.393 11.689 256 H SER 36 H SER 36 -2.599 2.848 13.292 257 HA SER 36 HA SER 36 -1.451 1.116 15.282 258 HB2 SER 36 HB2 SER 36 -3.602 3.234 15.473 259 HB3 SER 36 HB3 SER 36 -2.869 2.395 16.835 260 HG SER 36 HG SER 36 -0.809 3.254 15.775 261 H MET 37 H MET 37 -2.559 -0.487 16.294 262 HA MET 37 HA MET 37 -4.316 -2.115 14.938 263 HB2 MET 37 HB2 MET 37 -4.788 -3.041 17.230 264 HB3 MET 37 HB3 MET 37 -3.084 -2.911 16.794 265 HG2 MET 37 HG2 MET 37 -4.499 -0.786 18.353 266 HG3 MET 37 HG3 MET 37 -3.744 -2.161 19.118 267 HE1 MET 37 HE1 MET 37 -1.709 1.622 18.723 268 HE2 MET 37 HE2 MET 37 -2.747 0.856 19.919 269 HE3 MET 37 HE3 MET 37 -3.409 1.326 18.357 270 H ALA 38 H ALA 38 -5.032 0.430 17.279 271 HA ALA 38 HA ALA 38 -7.755 -0.049 17.537 272 HB1 ALA 38 HB1 ALA 38 -6.407 1.306 19.056 273 HB2 ALA 38 HB2 ALA 38 -7.887 2.125 18.524 274 HB3 ALA 38 HB3 ALA 38 -6.327 2.573 17.827 275 H LYS 39 H LYS 39 -5.982 1.554 14.977 276 HA LYS 39 HA LYS 39 -8.034 3.182 13.953 277 HB2 LYS 39 HB2 LYS 39 -5.769 1.815 12.444 278 HB3 LYS 39 HB3 LYS 39 -6.855 2.998 11.762 279 HG2 LYS 39 HG2 LYS 39 -5.089 3.562 14.119 280 HG3 LYS 39 HG3 LYS 39 -4.674 3.925 12.442 281 HD2 LYS 39 HD2 LYS 39 -6.699 5.327 12.280 282 HD3 LYS 39 HD3 LYS 39 -7.030 5.009 13.983 283 HE2 LYS 39 HE2 LYS 39 -4.897 6.049 14.583 284 HE3 LYS 39 HE3 LYS 39 -4.575 6.362 12.880 285 HZ1 LYS 39 HZ1 LYS 39 -6.867 7.462 14.414 286 HZ2 LYS 39 HZ2 LYS 39 -6.503 7.787 12.797 287 HZ3 LYS 39 HZ3 LYS 39 -5.460 8.313 14.013 288 H LEU 40 H LEU 40 -7.281 -0.193 13.443 289 HA LEU 40 HA LEU 40 -9.343 -0.375 11.426 290 HB2 LEU 40 HB2 LEU 40 -8.698 -2.835 11.378 291 HB3 LEU 40 HB3 LEU 40 -7.537 -1.673 10.791 292 HG LEU 40 HG LEU 40 -7.289 -2.642 13.627 293 HD11 LEU 40 HD11 LEU 40 -6.348 -4.123 11.159 294 HD12 LEU 40 HD12 LEU 40 -7.597 -4.673 12.276 295 HD13 LEU 40 HD13 LEU 40 -5.928 -4.519 12.825 296 HD21 LEU 40 HD21 LEU 40 -5.352 -1.837 11.451 297 HD22 LEU 40 HD22 LEU 40 -4.897 -2.358 13.070 298 HD23 LEU 40 HD23 LEU 40 -5.812 -0.866 12.847 299 H LYS 41 H LYS 41 -8.823 -1.452 14.708 300 HA LYS 41 HA LYS 41 -11.170 -3.054 14.955 301 HB2 LYS 41 HB2 LYS 41 -9.538 -1.542 16.979 302 HB3 LYS 41 HB3 LYS 41 -10.787 -2.716 17.360 303 HG2 LYS 41 HG2 LYS 41 -9.540 -4.492 16.427 304 HG3 LYS 41 HG3 LYS 41 -8.369 -3.375 15.720 305 HD2 LYS 41 HD2 LYS 41 -7.406 -4.344 17.662 306 HD3 LYS 41 HD3 LYS 41 -7.775 -2.647 17.984 307 HE2 LYS 41 HE2 LYS 41 -9.835 -3.302 19.145 308 HE3 LYS 41 HE3 LYS 41 -9.494 -4.997 18.807 309 HZ1 LYS 41 HZ1 LYS 41 -8.851 -4.528 21.025 310 HZ2 LYS 41 HZ2 LYS 41 -7.964 -3.170 20.571 311 HZ3 LYS 41 HZ3 LYS 41 -7.422 -4.712 20.140 312 H LYS 42 H LYS 42 -10.494 0.270 15.757 313 HA LYS 42 HA LYS 42 -13.075 0.900 16.651 314 HB2 LYS 42 HB2 LYS 42 -11.006 2.320 16.898 315 HB3 LYS 42 HB3 LYS 42 -11.158 2.729 15.200 316 HG2 LYS 42 HG2 LYS 42 -12.062 4.526 16.459 317 HG3 LYS 42 HG3 LYS 42 -13.408 3.673 15.702 318 HD2 LYS 42 HD2 LYS 42 -13.921 4.247 18.021 319 HD3 LYS 42 HD3 LYS 42 -13.854 2.501 17.787 320 HE2 LYS 42 HE2 LYS 42 -11.639 2.412 18.750 321 HE3 LYS 42 HE3 LYS 42 -11.576 4.167 18.853 322 HZ1 LYS 42 HZ1 LYS 42 -13.352 4.110 20.469 323 HZ2 LYS 42 HZ2 LYS 42 -12.080 3.123 20.983 324 HZ3 LYS 42 HZ3 LYS 42 -13.476 2.429 20.342 325 H SER 43 H SER 43 -11.559 0.938 13.495 326 HA SER 43 HA SER 43 -13.728 2.201 12.140 327 HB2 SER 43 HB2 SER 43 -11.297 0.709 11.165 328 HB3 SER 43 HB3 SER 43 -12.482 1.422 10.050 329 HG SER 43 HG SER 43 -10.687 2.632 11.830 330 H TYR 44 H TYR 44 -12.651 -1.208 12.199 331 HA TYR 44 HA TYR 44 -14.699 -2.136 10.516 332 HB2 TYR 44 HB2 TYR 44 -12.637 -3.368 10.972 333 HB3 TYR 44 HB3 TYR 44 -13.178 -3.647 12.621 334 HD1 TYR 44 HD1 TYR 44 -13.666 -4.564 9.111 335 HD2 TYR 44 HD2 TYR 44 -14.944 -5.221 13.099 336 HE1 TYR 44 HE1 TYR 44 -14.834 -6.597 8.384 337 HE2 TYR 44 HE2 TYR 44 -16.122 -7.271 12.393 338 HH TYR 44 HH TYR 44 -16.993 -8.329 10.487 339 H ALA 45 H ALA 45 -14.396 -2.074 14.022 340 HA ALA 45 HA ALA 45 -16.824 -3.339 14.545 341 HB1 ALA 45 HB1 ALA 45 -15.118 -2.973 16.263 342 HB2 ALA 45 HB2 ALA 45 -16.703 -2.388 16.769 343 HB3 ALA 45 HB3 ALA 45 -15.469 -1.243 16.233 344 H ASP 46 H ASP 46 -15.968 -0.090 13.828 345 HA ASP 46 HA ASP 46 -18.440 1.174 14.478 346 HB2 ASP 46 HB2 ASP 46 -16.364 2.428 14.262 347 HB3 ASP 46 HB3 ASP 46 -16.273 2.017 12.556 348 H ARG 47 H ARG 47 -17.087 -0.066 11.446 349 HA ARG 47 HA ARG 47 -19.265 0.748 9.838 350 HB2 ARG 47 HB2 ARG 47 -18.249 -0.427 8.049 351 HB3 ARG 47 HB3 ARG 47 -16.925 0.176 9.027 352 HG2 ARG 47 HG2 ARG 47 -16.163 -1.936 8.663 353 HG3 ARG 47 HG3 ARG 47 -17.138 -2.264 10.098 354 HD2 ARG 47 HD2 ARG 47 -19.039 -2.827 8.587 355 HD3 ARG 47 HD3 ARG 47 -17.942 -2.654 7.223 356 HE ARG 47 HE ARG 47 -16.689 -4.484 8.738 357 HH11 ARG 47 HH11 ARG 47 -19.977 -4.190 7.600 358 HH12 ARG 47 HH12 ARG 47 -20.255 -5.893 7.491 359 HH21 ARG 47 HH21 ARG 47 -17.046 -6.811 8.577 360 HH22 ARG 47 HH22 ARG 47 -18.590 -7.371 8.052 361 H THR 48 H THR 48 -18.796 -1.985 11.888 362 HA THR 48 HA THR 48 -21.105 -3.324 10.692 363 HB THR 48 HB THR 48 -19.174 -4.771 11.036 364 HG1 THR 48 HG1 THR 48 -20.236 -6.387 12.307 365 HG21 THR 48 HG21 THR 48 -18.101 -3.649 12.888 366 HG22 THR 48 HG22 THR 48 -18.411 -5.334 13.312 367 HG23 THR 48 HG23 THR 48 -19.450 -4.058 13.948 368 H GLY 49 H GLY 49 -20.296 -1.349 13.367 369 HA2 GLY 49 HA2 GLY 49 -21.753 -0.396 14.898 370 HA3 GLY 49 HA3 GLY 49 -23.024 -1.446 14.295 371 H VAL 50 H VAL 50 -19.916 -2.588 15.455 372 HA VAL 50 HA VAL 50 -21.345 -3.826 17.708 373 HB VAL 50 HB VAL 50 -20.392 -5.351 15.863 374 HG11 VAL 50 HG11 VAL 50 -18.049 -5.967 16.056 375 HG12 VAL 50 HG12 VAL 50 -17.806 -4.699 17.256 376 HG13 VAL 50 HG13 VAL 50 -18.238 -4.275 15.598 377 HG21 VAL 50 HG21 VAL 50 -19.524 -5.874 18.694 378 HG22 VAL 50 HG22 VAL 50 -19.856 -7.077 17.444 379 HG23 VAL 50 HG23 VAL 50 -21.161 -6.083 18.081 380 H ALA 51 H ALA 51 -20.027 -4.209 19.647 381 HA ALA 51 HA ALA 51 -18.696 -1.943 20.570 382 HB1 ALA 51 HB1 ALA 51 -18.578 -4.807 21.545 383 HB2 ALA 51 HB2 ALA 51 -19.671 -3.541 22.107 384 HB3 ALA 51 HB3 ALA 51 -17.942 -3.422 22.435 385 H VAL 52 H VAL 52 -16.678 -1.239 20.361 386 HA VAL 52 HA VAL 52 -14.901 -2.338 18.493 387 HB VAL 52 HB VAL 52 -14.425 -0.299 20.673 388 HG11 VAL 52 HG11 VAL 52 -12.640 -1.002 18.345 389 HG12 VAL 52 HG12 VAL 52 -12.308 -1.316 20.049 390 HG13 VAL 52 HG13 VAL 52 -12.401 0.343 19.460 391 HG21 VAL 52 HG21 VAL 52 -14.774 0.121 17.713 392 HG22 VAL 52 HG22 VAL 52 -14.722 1.348 18.984 393 HG23 VAL 52 HG23 VAL 52 -16.085 0.238 18.883 394 H ASN 53 H ASN 53 -14.936 -2.425 22.008 395 HA ASN 53 HA ASN 53 -12.481 -3.764 22.331 396 HB2 ASN 53 HB2 ASN 53 -14.898 -3.547 24.107 397 HB3 ASN 53 HB3 ASN 53 -13.432 -4.390 24.593 398 HD21 ASN 53 HD21 ASN 53 -14.642 -2.084 25.793 399 HD22 ASN 53 HD22 ASN 53 -13.472 -0.810 25.723 400 H SER 54 H SER 54 -15.744 -4.950 21.747 401 HA SER 54 HA SER 54 -15.031 -7.683 22.290 402 HB2 SER 54 HB2 SER 54 -17.272 -8.250 21.566 403 HB3 SER 54 HB3 SER 54 -17.350 -6.844 22.620 404 HG SER 54 HG SER 54 -17.077 -5.922 20.160 405 H LEU 55 H LEU 55 -14.535 -5.603 19.739 406 HA LEU 55 HA LEU 55 -14.550 -7.690 17.714 407 HB2 LEU 55 HB2 LEU 55 -15.570 -5.374 17.349 408 HB3 LEU 55 HB3 LEU 55 -13.934 -4.755 17.348 409 HG LEU 55 HG LEU 55 -15.020 -5.118 15.090 410 HD11 LEU 55 HD11 LEU 55 -12.407 -6.512 15.633 411 HD12 LEU 55 HD12 LEU 55 -12.629 -4.795 15.302 412 HD13 LEU 55 HD13 LEU 55 -12.981 -5.987 14.051 413 HD21 LEU 55 HD21 LEU 55 -14.488 -8.016 15.741 414 HD22 LEU 55 HD22 LEU 55 -15.012 -7.379 14.185 415 HD23 LEU 55 HD23 LEU 55 -16.078 -7.270 15.584 416 H ARG 56 H ARG 56 -12.696 -8.491 16.876 417 HA ARG 56 HA ARG 56 -10.182 -7.353 17.791 418 HB2 ARG 56 HB2 ARG 56 -9.524 -9.653 18.597 419 HB3 ARG 56 HB3 ARG 56 -10.682 -8.772 19.589 420 HG2 ARG 56 HG2 ARG 56 -12.348 -10.146 17.941 421 HG3 ARG 56 HG3 ARG 56 -11.000 -11.275 18.093 422 HD2 ARG 56 HD2 ARG 56 -11.155 -11.108 20.536 423 HD3 ARG 56 HD3 ARG 56 -12.505 -9.982 20.349 424 HE ARG 56 HE ARG 56 -13.329 -12.174 18.983 425 HH11 ARG 56 HH11 ARG 56 -12.172 -11.676 22.251 426 HH12 ARG 56 HH12 ARG 56 -13.087 -12.981 22.918 427 HH21 ARG 56 HH21 ARG 56 -14.569 -13.884 19.866 428 HH22 ARG 56 HH22 ARG 56 -14.452 -14.249 21.553 429 H PHE 57 H PHE 57 -8.455 -7.841 16.575 430 HA PHE 57 HA PHE 57 -8.886 -9.539 14.197 431 HB2 PHE 57 HB2 PHE 57 -7.052 -7.164 14.528 432 HB3 PHE 57 HB3 PHE 57 -7.151 -8.187 13.104 433 HD1 PHE 57 HD1 PHE 57 -8.459 -5.389 14.843 434 HD2 PHE 57 HD2 PHE 57 -9.262 -8.200 11.797 435 HE1 PHE 57 HE1 PHE 57 -10.128 -3.885 13.891 436 HE2 PHE 57 HE2 PHE 57 -10.958 -6.696 10.849 437 HZ PHE 57 HZ PHE 57 -11.390 -4.535 11.900 438 H LEU 58 H LEU 58 -7.258 -10.927 13.656 439 HA LEU 58 HA LEU 58 -4.957 -11.005 15.470 440 HB2 LEU 58 HB2 LEU 58 -6.755 -13.196 14.630 441 HB3 LEU 58 HB3 LEU 58 -5.044 -13.567 14.716 442 HG LEU 58 HG LEU 58 -5.144 -12.603 17.082 443 HD11 LEU 58 HD11 LEU 58 -8.059 -13.084 16.669 444 HD12 LEU 58 HD12 LEU 58 -7.286 -11.524 16.936 445 HD13 LEU 58 HD13 LEU 58 -7.275 -12.749 18.207 446 HD21 LEU 58 HD21 LEU 58 -5.776 -14.707 18.014 447 HD22 LEU 58 HD22 LEU 58 -4.856 -14.957 16.526 448 HD23 LEU 58 HD23 LEU 58 -6.612 -15.155 16.525 449 H PHE 59 H PHE 59 -3.008 -11.278 14.616 450 HA PHE 59 HA PHE 59 -2.856 -11.449 11.675 451 HB2 PHE 59 HB2 PHE 59 -2.183 -9.231 12.764 452 HB3 PHE 59 HB3 PHE 59 -0.860 -10.108 13.508 453 HD1 PHE 59 HD1 PHE 59 -2.075 -8.542 10.501 454 HD2 PHE 59 HD2 PHE 59 0.901 -11.134 12.079 455 HE1 PHE 59 HE1 PHE 59 -0.718 -8.199 8.483 456 HE2 PHE 59 HE2 PHE 59 2.274 -10.790 10.064 457 HZ PHE 59 HZ PHE 59 1.461 -9.319 8.264 458 H ASP 60 H ASP 60 -1.762 -13.195 10.992 459 HA ASP 60 HA ASP 60 -0.521 -15.119 11.010 460 HB2 ASP 60 HB2 ASP 60 1.241 -13.361 11.434 461 HB3 ASP 60 HB3 ASP 60 1.110 -13.723 13.145 462 H GLY 61 H GLY 61 -2.754 -14.703 12.914 463 HA2 GLY 61 HA2 GLY 61 -3.904 -16.216 14.233 464 HA3 GLY 61 HA3 GLY 61 -2.435 -17.183 14.351 465 H ARG 62 H ARG 62 -2.018 -13.880 15.064 466 HA ARG 62 HA ARG 62 -2.463 -14.368 17.901 467 HB2 ARG 62 HB2 ARG 62 -0.337 -13.364 18.484 468 HB3 ARG 62 HB3 ARG 62 -0.128 -14.764 17.443 469 HG2 ARG 62 HG2 ARG 62 1.456 -13.208 16.719 470 HG3 ARG 62 HG3 ARG 62 0.153 -13.136 15.532 471 HD2 ARG 62 HD2 ARG 62 -0.629 -11.085 16.353 472 HD3 ARG 62 HD3 ARG 62 0.267 -11.249 17.864 473 HE ARG 62 HE ARG 62 2.017 -11.182 15.632 474 HH11 ARG 62 HH11 ARG 62 -0.021 -9.142 17.628 475 HH12 ARG 62 HH12 ARG 62 0.972 -7.733 17.431 476 HH21 ARG 62 HH21 ARG 62 3.323 -9.297 15.338 477 HH22 ARG 62 HH22 ARG 62 2.858 -7.825 16.118 478 H ARG 63 H ARG 63 -2.581 -12.565 19.202 479 HA ARG 63 HA ARG 63 -4.573 -10.838 18.352 480 HB2 ARG 63 HB2 ARG 63 -2.704 -10.715 20.692 481 HB3 ARG 63 HB3 ARG 63 -4.077 -9.644 20.490 482 HG2 ARG 63 HG2 ARG 63 -4.337 -12.630 20.555 483 HG3 ARG 63 HG3 ARG 63 -4.414 -11.617 22.001 484 HD2 ARG 63 HD2 ARG 63 -6.171 -11.435 19.583 485 HD3 ARG 63 HD3 ARG 63 -6.635 -12.082 21.161 486 HE ARG 63 HE ARG 63 -5.626 -9.387 21.292 487 HH11 ARG 63 HH11 ARG 63 -8.524 -11.296 20.824 488 HH12 ARG 63 HH12 ARG 63 -9.577 -10.001 21.269 489 HH21 ARG 63 HH21 ARG 63 -7.014 -7.682 21.834 490 HH22 ARG 63 HH22 ARG 63 -8.726 -7.938 21.821 491 H ILE 64 H ILE 64 -4.643 -8.888 17.475 492 HA ILE 64 HA ILE 64 -2.181 -7.269 17.310 493 HB ILE 64 HB ILE 64 -4.906 -6.780 16.024 494 HG12 ILE 64 HG12 ILE 64 -2.358 -7.703 14.678 495 HG13 ILE 64 HG13 ILE 64 -3.653 -8.791 15.162 496 HG21 ILE 64 HG21 ILE 64 -3.582 -4.721 16.448 497 HG22 ILE 64 HG22 ILE 64 -3.797 -5.004 14.722 498 HG23 ILE 64 HG23 ILE 64 -2.261 -5.382 15.494 499 HD11 ILE 64 HD11 ILE 64 -5.183 -7.507 13.691 500 HD12 ILE 64 HD12 ILE 64 -3.889 -8.331 12.837 501 HD13 ILE 64 HD13 ILE 64 -3.791 -6.590 13.118 502 H ASN 65 H ASN 65 -1.926 -6.033 19.083 503 HA ASN 65 HA ASN 65 -4.364 -4.996 20.385 504 HB2 ASN 65 HB2 ASN 65 -1.812 -5.957 21.691 505 HB3 ASN 65 HB3 ASN 65 -3.112 -5.131 22.538 506 HD21 ASN 65 HD21 ASN 65 -1.968 -7.809 22.858 507 HD22 ASN 65 HD22 ASN 65 -3.292 -8.909 22.737 508 H ASP 66 H ASP 66 -4.043 -3.041 21.645 509 HA ASP 66 HA ASP 66 -2.829 -1.006 20.197 510 HB2 ASP 66 HB2 ASP 66 -4.623 -0.336 21.427 511 HB3 ASP 66 HB3 ASP 66 -4.098 -1.153 22.905 512 H ASP 67 H ASP 67 -1.317 -3.191 22.113 513 HA ASP 67 HA ASP 67 0.875 -1.479 22.949 514 HB2 ASP 67 HB2 ASP 67 0.191 -3.399 24.351 515 HB3 ASP 67 HB3 ASP 67 0.604 -4.496 23.040 516 H ASP 68 H ASP 68 -0.077 -3.105 20.133 517 HA ASP 68 HA ASP 68 2.462 -4.017 19.242 518 HB2 ASP 68 HB2 ASP 68 -0.238 -3.823 18.004 519 HB3 ASP 68 HB3 ASP 68 1.165 -4.108 16.981 520 H THR 69 H THR 69 3.700 -3.330 17.598 521 HA THR 69 HA THR 69 3.436 -0.510 16.858 522 HB THR 69 HB THR 69 5.944 -0.579 16.572 523 HG1 THR 69 HG1 THR 69 6.151 -2.741 18.289 524 HG21 THR 69 HG21 THR 69 6.440 -0.400 18.972 525 HG22 THR 69 HG22 THR 69 4.894 -1.163 19.345 526 HG23 THR 69 HG23 THR 69 4.931 0.418 18.566 527 HA PRO 70 HA PRO 70 3.076 -1.549 12.619 528 HB2 PRO 70 HB2 PRO 70 5.414 0.219 12.034 529 HB3 PRO 70 HB3 PRO 70 3.782 0.229 11.383 530 HG2 PRO 70 HG2 PRO 70 4.465 2.051 13.179 531 HG3 PRO 70 HG3 PRO 70 2.865 1.284 13.239 532 HD2 PRO 70 HD2 PRO 70 5.284 0.747 14.908 533 HD3 PRO 70 HD3 PRO 70 3.579 0.846 15.387 534 H LYS 71 H LYS 71 6.499 -1.525 13.697 535 HA LYS 71 HA LYS 71 7.320 -3.131 11.522 536 HB2 LYS 71 HB2 LYS 71 9.481 -3.261 12.683 537 HB3 LYS 71 HB3 LYS 71 8.892 -1.614 12.561 538 HG2 LYS 71 HG2 LYS 71 9.766 -1.764 14.719 539 HG3 LYS 71 HG3 LYS 71 8.026 -1.950 14.947 540 HD2 LYS 71 HD2 LYS 71 8.431 -4.423 14.784 541 HD3 LYS 71 HD3 LYS 71 10.149 -4.068 14.999 542 HE2 LYS 71 HE2 LYS 71 7.910 -3.326 16.857 543 HE3 LYS 71 HE3 LYS 71 9.033 -4.660 17.096 544 HZ1 LYS 71 HZ1 LYS 71 9.740 -1.772 17.033 545 HZ2 LYS 71 HZ2 LYS 71 10.855 -3.029 17.168 546 HZ3 LYS 71 HZ3 LYS 71 9.728 -2.768 18.395 547 H THR 72 H THR 72 6.088 -3.863 14.714 548 HA THR 72 HA THR 72 7.048 -6.580 14.603 549 HB THR 72 HB THR 72 6.747 -5.284 16.799 550 HG1 THR 72 HG1 THR 72 6.811 -7.755 16.358 551 HG21 THR 72 HG21 THR 72 4.548 -5.422 17.854 552 HG22 THR 72 HG22 THR 72 3.879 -6.144 16.392 553 HG23 THR 72 HG23 THR 72 4.459 -4.479 16.365 554 H LEU 73 H LEU 73 4.141 -4.847 13.839 555 HA LEU 73 HA LEU 73 2.493 -7.141 13.539 556 HB2 LEU 73 HB2 LEU 73 2.315 -4.383 12.314 557 HB3 LEU 73 HB3 LEU 73 1.080 -5.614 12.144 558 HG LEU 73 HG LEU 73 1.952 -4.454 14.791 559 HD11 LEU 73 HD11 LEU 73 -0.106 -3.189 14.765 560 HD12 LEU 73 HD12 LEU 73 -0.518 -3.836 13.180 561 HD13 LEU 73 HD13 LEU 73 0.873 -2.766 13.359 562 HD21 LEU 73 HD21 LEU 73 1.039 -6.703 14.955 563 HD22 LEU 73 HD22 LEU 73 -0.377 -6.212 14.025 564 HD23 LEU 73 HD23 LEU 73 -0.089 -5.524 15.623 565 H GLU 74 H GLU 74 4.940 -5.594 11.705 566 HA GLU 74 HA GLU 74 5.879 -5.944 9.654 567 HB2 GLU 74 HB2 GLU 74 6.415 -7.986 11.053 568 HB3 GLU 74 HB3 GLU 74 5.145 -8.825 10.176 569 HG2 GLU 74 HG2 GLU 74 6.337 -8.553 8.104 570 HG3 GLU 74 HG3 GLU 74 7.563 -7.569 8.901 571 H MET 75 H MET 75 3.012 -5.360 9.514 572 HA MET 75 HA MET 75 1.890 -7.045 7.488 573 HB2 MET 75 HB2 MET 75 0.071 -5.353 7.377 574 HB3 MET 75 HB3 MET 75 0.356 -5.989 8.989 575 HG2 MET 75 HG2 MET 75 1.524 -3.980 9.622 576 HG3 MET 75 HG3 MET 75 1.390 -3.347 7.985 577 HE1 MET 75 HE1 MET 75 -0.483 -4.311 11.256 578 HE2 MET 75 HE2 MET 75 -1.374 -5.287 10.089 579 HE3 MET 75 HE3 MET 75 -2.160 -3.921 10.880 580 H GLU 76 H GLU 76 1.143 -6.229 5.375 581 HA GLU 76 HA GLU 76 2.738 -4.124 4.218 582 HB2 GLU 76 HB2 GLU 76 3.571 -5.569 2.401 583 HB3 GLU 76 HB3 GLU 76 4.215 -6.035 3.966 584 HG2 GLU 76 HG2 GLU 76 2.576 -7.856 4.078 585 HG3 GLU 76 HG3 GLU 76 1.984 -7.397 2.480 586 H ASP 77 H ASP 77 2.163 -4.337 1.645 587 HA ASP 77 HA ASP 77 -0.544 -3.575 1.619 588 HB2 ASP 77 HB2 ASP 77 1.070 -2.556 0.120 589 HB3 ASP 77 HB3 ASP 77 1.295 -4.095 -0.705 590 H ASP 78 H ASP 78 -2.228 -4.710 1.595 591 HA ASP 78 HA ASP 78 -3.854 -6.183 1.065 592 HB2 ASP 78 HB2 ASP 78 -3.045 -5.838 -1.275 593 HB3 ASP 78 HB3 ASP 78 -2.004 -7.247 -1.077 594 H ASP 79 H ASP 79 -1.885 -6.657 3.063 595 HA ASP 79 HA ASP 79 -1.338 -9.480 3.036 596 HB2 ASP 79 HB2 ASP 79 -0.009 -7.619 4.313 597 HB3 ASP 79 HB3 ASP 79 -1.254 -7.860 5.541 598 H VAL 80 H VAL 80 -2.008 -10.508 5.338 599 HA VAL 80 HA VAL 80 -4.926 -10.578 5.081 600 HB VAL 80 HB VAL 80 -3.134 -12.763 6.022 601 HG11 VAL 80 HG11 VAL 80 -5.037 -14.207 5.471 602 HG12 VAL 80 HG12 VAL 80 -5.973 -12.767 5.061 603 HG13 VAL 80 HG13 VAL 80 -5.410 -13.012 6.713 604 HG21 VAL 80 HG21 VAL 80 -3.122 -13.691 3.810 605 HG22 VAL 80 HG22 VAL 80 -2.576 -12.003 3.721 606 HG23 VAL 80 HG23 VAL 80 -4.217 -12.429 3.238 607 H ILE 81 H ILE 81 -6.108 -10.413 6.809 608 HA ILE 81 HA ILE 81 -4.941 -10.607 9.455 609 HB ILE 81 HB ILE 81 -6.169 -8.205 8.266 610 HG12 ILE 81 HG12 ILE 81 -4.330 -8.686 10.617 611 HG13 ILE 81 HG13 ILE 81 -3.844 -8.276 8.979 612 HG21 ILE 81 HG21 ILE 81 -8.023 -8.689 9.638 613 HG22 ILE 81 HG22 ILE 81 -7.097 -7.421 10.442 614 HG23 ILE 81 HG23 ILE 81 -6.994 -9.088 11.017 615 HD11 ILE 81 HD11 ILE 81 -3.728 -6.395 10.575 616 HD12 ILE 81 HD12 ILE 81 -5.481 -6.488 10.762 617 HD13 ILE 81 HD13 ILE 81 -4.777 -6.085 9.198 618 H GLU 82 H GLU 82 -6.158 -11.627 10.902 619 HA GLU 82 HA GLU 82 -8.551 -12.924 9.805 620 HB2 GLU 82 HB2 GLU 82 -6.821 -13.639 12.159 621 HB3 GLU 82 HB3 GLU 82 -8.174 -14.588 11.565 622 HG2 GLU 82 HG2 GLU 82 -5.700 -13.950 9.979 623 HG3 GLU 82 HG3 GLU 82 -5.967 -15.462 10.857 624 H VAL 83 H VAL 83 -10.476 -12.880 10.812 625 HA VAL 83 HA VAL 83 -10.696 -11.340 13.305 626 HB VAL 83 HB VAL 83 -12.636 -11.275 10.994 627 HG11 VAL 83 HG11 VAL 83 -13.896 -9.652 12.328 628 HG12 VAL 83 HG12 VAL 83 -12.778 -9.890 13.671 629 HG13 VAL 83 HG13 VAL 83 -13.814 -11.214 13.141 630 HG21 VAL 83 HG21 VAL 83 -10.624 -9.960 10.670 631 HG22 VAL 83 HG22 VAL 83 -10.941 -9.136 12.199 632 HG23 VAL 83 HG23 VAL 83 -12.060 -8.952 10.849 633 H TYR 84 H TYR 84 -11.678 -12.311 14.856 634 HA TYR 84 HA TYR 84 -13.156 -14.735 14.244 635 HB2 TYR 84 HB2 TYR 84 -11.618 -13.963 16.722 636 HB3 TYR 84 HB3 TYR 84 -12.614 -15.415 16.579 637 HD1 TYR 84 HD1 TYR 84 -9.418 -13.933 15.819 638 HD2 TYR 84 HD2 TYR 84 -12.074 -17.084 14.773 639 HE1 TYR 84 HE1 TYR 84 -7.591 -15.071 14.635 640 HE2 TYR 84 HE2 TYR 84 -10.251 -18.238 13.600 641 HH TYR 84 HH TYR 84 -8.095 -17.497 12.451 642 H GLN 85 H GLN 85 -14.831 -15.212 16.072 643 HA GLN 85 HA GLN 85 -16.799 -13.263 15.548 644 HB2 GLN 85 HB2 GLN 85 -18.278 -14.633 16.907 645 HB3 GLN 85 HB3 GLN 85 -17.313 -15.647 15.845 646 HG2 GLN 85 HG2 GLN 85 -15.809 -16.139 17.730 647 HG3 GLN 85 HG3 GLN 85 -16.850 -15.179 18.780 648 HE21 GLN 85 HE21 GLN 85 -16.435 -18.142 17.110 649 HE22 GLN 85 HE22 GLN 85 -17.811 -18.957 17.760 650 H GLU 86 H GLU 86 -17.685 -11.718 16.721 651 HA GLU 86 HA GLU 86 -16.230 -10.868 19.091 652 HB2 GLU 86 HB2 GLU 86 -17.284 -8.669 18.686 653 HB3 GLU 86 HB3 GLU 86 -16.341 -9.231 17.319 654 HG2 GLU 86 HG2 GLU 86 -19.333 -9.451 17.508 655 HG3 GLU 86 HG3 GLU 86 -18.480 -8.112 16.751 656 H GLN 87 H GLN 87 -17.532 -9.813 20.840 657 HA GLN 87 HA GLN 87 -19.206 -11.775 21.961 658 HB2 GLN 87 HB2 GLN 87 -17.855 -10.245 23.305 659 HB3 GLN 87 HB3 GLN 87 -18.834 -8.891 22.770 660 HG2 GLN 87 HG2 GLN 87 -19.451 -9.540 24.997 661 HG3 GLN 87 HG3 GLN 87 -20.777 -9.866 23.883 662 HE21 GLN 87 HE21 GLN 87 -18.299 -11.276 25.872 663 HE22 GLN 87 HE22 GLN 87 -18.916 -12.889 25.859 664 H LEU 88 H LEU 88 -19.969 -8.632 20.553 665 HA LEU 88 HA LEU 88 -22.783 -9.120 21.012 666 HB2 LEU 88 HB2 LEU 88 -21.330 -6.731 19.928 667 HB3 LEU 88 HB3 LEU 88 -23.068 -6.790 20.201 668 HG LEU 88 HG LEU 88 -20.890 -6.956 22.287 669 HD11 LEU 88 HD11 LEU 88 -21.754 -4.820 23.042 670 HD12 LEU 88 HD12 LEU 88 -22.941 -4.827 21.739 671 HD13 LEU 88 HD13 LEU 88 -21.221 -4.729 21.363 672 HD21 LEU 88 HD21 LEU 88 -22.746 -8.355 22.955 673 HD22 LEU 88 HD22 LEU 88 -23.886 -7.058 22.601 674 HD23 LEU 88 HD23 LEU 88 -22.732 -6.881 23.923 675 H GLY 89 H GLY 89 -20.593 -9.792 18.625 676 HA2 GLY 89 HA2 GLY 89 -22.090 -9.268 16.276 677 HA3 GLY 89 HA3 GLY 89 -20.787 -10.439 16.424 678 H GLY 90 H GLY 90 -21.890 -12.040 18.424 679 HA2 GLY 90 HA2 GLY 90 -24.328 -12.999 18.475 680 HA3 GLY 90 HA3 GLY 90 -23.868 -13.476 16.844 Start of MODEL 15 1 H MET 1 H MET 1 -21.256 8.757 -13.343 2 HA MET 1 HA MET 1 -19.255 8.258 -12.085 3 HB2 MET 1 HB2 MET 1 -19.783 6.610 -14.560 4 HB3 MET 1 HB3 MET 1 -18.725 6.077 -13.264 5 HG2 MET 1 HG2 MET 1 -20.573 6.060 -11.716 6 HG3 MET 1 HG3 MET 1 -21.644 6.733 -12.946 7 HE1 MET 1 HE1 MET 1 -18.871 3.909 -13.198 8 HE2 MET 1 HE2 MET 1 -19.871 2.471 -12.999 9 HE3 MET 1 HE3 MET 1 -19.696 3.614 -11.669 10 H ALA 2 H ALA 2 -17.005 7.887 -12.073 11 HA ALA 2 HA ALA 2 -15.603 8.967 -14.422 12 HB1 ALA 2 HB1 ALA 2 -15.510 10.523 -12.530 13 HB2 ALA 2 HB2 ALA 2 -13.915 9.877 -12.913 14 HB3 ALA 2 HB3 ALA 2 -14.806 9.256 -11.525 15 H ASP 3 H ASP 3 -14.604 7.372 -15.428 16 HA ASP 3 HA ASP 3 -13.804 4.971 -13.999 17 HB2 ASP 3 HB2 ASP 3 -13.301 4.055 -16.187 18 HB3 ASP 3 HB3 ASP 3 -14.867 4.858 -16.254 19 H ASP 4 H ASP 4 -12.461 7.922 -14.545 20 HA ASP 4 HA ASP 4 -9.825 7.307 -15.320 21 HB2 ASP 4 HB2 ASP 4 -10.980 9.689 -13.892 22 HB3 ASP 4 HB3 ASP 4 -9.275 9.570 -14.314 23 H ALA 5 H ALA 5 -11.329 7.549 -12.134 24 HA ALA 5 HA ALA 5 -10.573 7.116 -10.038 25 HB1 ALA 5 HB1 ALA 5 -8.698 5.226 -11.481 26 HB2 ALA 5 HB2 ALA 5 -10.325 4.840 -10.924 27 HB3 ALA 5 HB3 ALA 5 -9.056 5.202 -9.753 28 H ALA 6 H ALA 6 -9.799 9.399 -10.389 29 HA ALA 6 HA ALA 6 -7.118 9.976 -10.998 30 HB1 ALA 6 HB1 ALA 6 -9.090 11.611 -9.415 31 HB2 ALA 6 HB2 ALA 6 -8.919 11.616 -11.170 32 HB3 ALA 6 HB3 ALA 6 -7.602 12.202 -10.153 33 H GLN 7 H GLN 7 -5.420 9.416 -9.882 34 HA GLN 7 HA GLN 7 -3.995 8.902 -8.267 35 HB2 GLN 7 HB2 GLN 7 -5.637 10.953 -6.895 36 HB3 GLN 7 HB3 GLN 7 -4.177 10.263 -6.191 37 HG2 GLN 7 HG2 GLN 7 -2.847 11.118 -8.003 38 HG3 GLN 7 HG3 GLN 7 -4.291 11.677 -8.844 39 HE21 GLN 7 HE21 GLN 7 -1.964 13.161 -8.006 40 HE22 GLN 7 HE22 GLN 7 -2.534 14.412 -6.959 41 H ALA 8 H ALA 8 -4.146 6.928 -7.690 42 HA ALA 8 HA ALA 8 -6.429 5.807 -6.361 43 HB1 ALA 8 HB1 ALA 8 -5.163 4.563 -8.063 44 HB2 ALA 8 HB2 ALA 8 -5.268 3.693 -6.534 45 HB3 ALA 8 HB3 ALA 8 -3.774 4.521 -6.976 46 H GLY 9 H GLY 9 -3.874 7.551 -5.220 47 HA2 GLY 9 HA2 GLY 9 -3.368 8.040 -3.012 48 HA3 GLY 9 HA3 GLY 9 -4.396 6.706 -2.503 49 H ASP 10 H ASP 10 -2.052 6.153 -4.905 50 HA ASP 10 HA ASP 10 -0.678 4.266 -3.199 51 HB2 ASP 10 HB2 ASP 10 -0.185 5.035 -6.084 52 HB3 ASP 10 HB3 ASP 10 0.629 3.727 -5.242 53 H ASN 11 H ASN 11 0.859 4.940 -1.886 54 HA ASN 11 HA ASN 11 2.592 7.170 -2.724 55 HB2 ASN 11 HB2 ASN 11 1.761 6.405 0.093 56 HB3 ASN 11 HB3 ASN 11 2.879 7.692 -0.325 57 HD21 ASN 11 HD21 ASN 11 0.348 7.736 1.120 58 HD22 ASN 11 HD22 ASN 11 -0.662 8.858 0.284 59 H ALA 12 H ALA 12 2.365 3.973 -2.342 60 HA ALA 12 HA ALA 12 3.765 2.243 -2.122 61 HB1 ALA 12 HB1 ALA 12 6.141 2.573 -2.477 62 HB2 ALA 12 HB2 ALA 12 5.944 4.310 -2.211 63 HB3 ALA 12 HB3 ALA 12 5.195 3.545 -3.610 64 H GLU 13 H GLU 13 5.774 1.527 -0.668 65 HA GLU 13 HA GLU 13 6.478 0.988 1.386 66 HB2 GLU 13 HB2 GLU 13 5.464 3.716 2.102 67 HB3 GLU 13 HB3 GLU 13 6.417 2.711 3.186 68 HG2 GLU 13 HG2 GLU 13 8.285 2.825 1.618 69 HG3 GLU 13 HG3 GLU 13 7.311 3.825 0.537 70 H TYR 14 H TYR 14 4.091 0.072 0.585 71 HA TYR 14 HA TYR 14 2.753 -0.257 3.170 72 HB2 TYR 14 HB2 TYR 14 1.335 -0.034 0.525 73 HB3 TYR 14 HB3 TYR 14 0.601 -0.472 2.062 74 HD1 TYR 14 HD1 TYR 14 1.727 2.196 -0.047 75 HD2 TYR 14 HD2 TYR 14 0.458 1.212 3.873 76 HE1 TYR 14 HE1 TYR 14 1.197 4.569 0.364 77 HE2 TYR 14 HE2 TYR 14 -0.063 3.582 4.319 78 HH TYR 14 HH TYR 14 -0.365 5.857 1.916 79 H ILE 15 H ILE 15 1.551 -2.202 3.377 80 HA ILE 15 HA ILE 15 2.584 -4.398 1.709 81 HB ILE 15 HB ILE 15 2.806 -5.762 3.665 82 HG12 ILE 15 HG12 ILE 15 1.520 -3.491 5.179 83 HG13 ILE 15 HG13 ILE 15 0.799 -5.054 4.777 84 HG21 ILE 15 HG21 ILE 15 4.668 -4.275 3.292 85 HG22 ILE 15 HG22 ILE 15 4.426 -4.565 5.015 86 HG23 ILE 15 HG23 ILE 15 3.897 -3.046 4.293 87 HD11 ILE 15 HD11 ILE 15 1.516 -4.931 7.100 88 HD12 ILE 15 HD12 ILE 15 3.175 -4.650 6.567 89 HD13 ILE 15 HD13 ILE 15 2.374 -6.183 6.195 90 H LYS 16 H LYS 16 1.118 -6.248 1.755 91 HA LYS 16 HA LYS 16 -1.662 -5.400 2.052 92 HB2 LYS 16 HB2 LYS 16 -0.419 -7.711 0.636 93 HB3 LYS 16 HB3 LYS 16 -2.159 -7.472 0.752 94 HG2 LYS 16 HG2 LYS 16 -1.848 -5.295 -0.403 95 HG3 LYS 16 HG3 LYS 16 -0.149 -5.733 -0.634 96 HD2 LYS 16 HD2 LYS 16 -2.475 -7.382 -1.621 97 HD3 LYS 16 HD3 LYS 16 -1.579 -6.228 -2.616 98 HE2 LYS 16 HE2 LYS 16 0.488 -7.487 -2.165 99 HE3 LYS 16 HE3 LYS 16 -0.449 -8.641 -1.226 100 HZ1 LYS 16 HZ1 LYS 16 -1.670 -9.239 -3.200 101 HZ2 LYS 16 HZ2 LYS 16 -0.015 -9.428 -3.461 102 HZ3 LYS 16 HZ3 LYS 16 -0.824 -8.095 -4.113 103 H ILE 17 H ILE 17 -3.042 -6.434 3.318 104 HA ILE 17 HA ILE 17 -2.038 -8.747 4.806 105 HB ILE 17 HB ILE 17 -3.763 -6.511 5.883 106 HG12 ILE 17 HG12 ILE 17 -1.070 -7.566 6.776 107 HG13 ILE 17 HG13 ILE 17 -1.343 -6.074 5.882 108 HG21 ILE 17 HG21 ILE 17 -3.866 -7.792 7.979 109 HG22 ILE 17 HG22 ILE 17 -3.032 -9.134 7.195 110 HG23 ILE 17 HG23 ILE 17 -4.640 -8.655 6.649 111 HD11 ILE 17 HD11 ILE 17 -2.313 -6.688 8.662 112 HD12 ILE 17 HD12 ILE 17 -2.648 -5.208 7.767 113 HD13 ILE 17 HD13 ILE 17 -0.991 -5.607 8.223 114 H LYS 18 H LYS 18 -3.188 -10.494 4.614 115 HA LYS 18 HA LYS 18 -5.787 -10.282 3.308 116 HB2 LYS 18 HB2 LYS 18 -4.474 -12.872 4.051 117 HB3 LYS 18 HB3 LYS 18 -5.568 -12.530 2.730 118 HG2 LYS 18 HG2 LYS 18 -3.754 -11.215 1.612 119 HG3 LYS 18 HG3 LYS 18 -2.671 -11.736 2.902 120 HD2 LYS 18 HD2 LYS 18 -4.162 -13.607 1.061 121 HD3 LYS 18 HD3 LYS 18 -2.481 -13.113 0.846 122 HE2 LYS 18 HE2 LYS 18 -1.948 -14.074 3.052 123 HE3 LYS 18 HE3 LYS 18 -3.622 -14.603 3.204 124 HZ1 LYS 18 HZ1 LYS 18 -2.208 -16.395 2.456 125 HZ2 LYS 18 HZ2 LYS 18 -1.708 -15.491 1.120 126 HZ3 LYS 18 HZ3 LYS 18 -3.317 -15.990 1.246 127 H VAL 19 H VAL 19 -7.291 -9.844 4.752 128 HA VAL 19 HA VAL 19 -7.133 -10.875 7.444 129 HB VAL 19 HB VAL 19 -9.279 -9.233 6.086 130 HG11 VAL 19 HG11 VAL 19 -10.109 -10.518 8.011 131 HG12 VAL 19 HG12 VAL 19 -10.133 -8.782 8.305 132 HG13 VAL 19 HG13 VAL 19 -8.868 -9.780 9.025 133 HG21 VAL 19 HG21 VAL 19 -7.180 -8.018 6.193 134 HG22 VAL 19 HG22 VAL 19 -7.034 -8.376 7.912 135 HG23 VAL 19 HG23 VAL 19 -8.336 -7.335 7.336 136 H VAL 20 H VAL 20 -7.747 -12.913 7.749 137 HA VAL 20 HA VAL 20 -10.080 -13.799 6.234 138 HB VAL 20 HB VAL 20 -8.180 -15.092 5.524 139 HG11 VAL 20 HG11 VAL 20 -6.864 -16.460 7.039 140 HG12 VAL 20 HG12 VAL 20 -7.721 -15.760 8.416 141 HG13 VAL 20 HG13 VAL 20 -6.706 -14.740 7.393 142 HG21 VAL 20 HG21 VAL 20 -8.919 -17.362 6.093 143 HG22 VAL 20 HG22 VAL 20 -10.276 -16.300 5.718 144 HG23 VAL 20 HG23 VAL 20 -9.910 -16.702 7.394 145 H GLY 21 H GLY 21 -11.790 -14.201 7.274 146 HA2 GLY 21 HA2 GLY 21 -11.714 -14.063 10.179 147 HA3 GLY 21 HA3 GLY 21 -13.158 -14.060 9.185 148 H GLN 22 H GLN 22 -13.454 -15.545 11.256 149 HA GLN 22 HA GLN 22 -12.377 -18.182 10.986 150 HB2 GLN 22 HB2 GLN 22 -14.444 -16.994 12.805 151 HB3 GLN 22 HB3 GLN 22 -13.964 -18.680 12.866 152 HG2 GLN 22 HG2 GLN 22 -11.700 -18.060 13.418 153 HG3 GLN 22 HG3 GLN 22 -12.089 -16.354 13.209 154 HE21 GLN 22 HE21 GLN 22 -11.462 -15.867 15.270 155 HE22 GLN 22 HE22 GLN 22 -12.393 -16.306 16.665 156 H ASP 23 H ASP 23 -14.943 -16.546 9.729 157 HA ASP 23 HA ASP 23 -16.497 -18.897 9.083 158 HB2 ASP 23 HB2 ASP 23 -16.805 -16.003 8.235 159 HB3 ASP 23 HB3 ASP 23 -17.915 -17.293 7.792 160 H SER 24 H SER 24 -13.647 -18.141 8.219 161 HA SER 24 HA SER 24 -12.258 -18.626 6.500 162 HB2 SER 24 HB2 SER 24 -14.709 -19.883 5.245 163 HB3 SER 24 HB3 SER 24 -13.044 -20.126 4.715 164 HG SER 24 HG SER 24 -14.284 -21.576 6.432 165 H ASN 25 H ASN 25 -13.634 -16.125 6.600 166 HA ASN 25 HA ASN 25 -13.849 -15.483 3.722 167 HB2 ASN 25 HB2 ASN 25 -14.877 -13.992 6.127 168 HB3 ASN 25 HB3 ASN 25 -14.860 -13.301 4.511 169 HD21 ASN 25 HD21 ASN 25 -17.107 -13.881 6.243 170 HD22 ASN 25 HD22 ASN 25 -18.133 -14.960 5.369 171 H GLU 26 H GLU 26 -12.077 -14.799 2.881 172 HA GLU 26 HA GLU 26 -10.236 -13.166 4.472 173 HB2 GLU 26 HB2 GLU 26 -9.187 -15.207 3.756 174 HB3 GLU 26 HB3 GLU 26 -9.683 -14.946 2.101 175 HG2 GLU 26 HG2 GLU 26 -8.251 -12.907 2.063 176 HG3 GLU 26 HG3 GLU 26 -7.690 -13.340 3.676 177 H VAL 27 H VAL 27 -9.712 -11.213 3.886 178 HA VAL 27 HA VAL 27 -10.456 -10.188 1.236 179 HB VAL 27 HB VAL 27 -12.270 -9.535 2.764 180 HG11 VAL 27 HG11 VAL 27 -11.863 -8.101 4.684 181 HG12 VAL 27 HG12 VAL 27 -10.124 -8.208 4.395 182 HG13 VAL 27 HG13 VAL 27 -11.033 -9.650 4.855 183 HG21 VAL 27 HG21 VAL 27 -10.458 -7.236 2.036 184 HG22 VAL 27 HG22 VAL 27 -12.159 -7.086 2.480 185 HG23 VAL 27 HG23 VAL 27 -11.704 -7.959 1.017 186 H HIS 28 H HIS 28 -9.100 -8.567 0.464 187 HA HIS 28 HA HIS 28 -6.573 -8.511 1.937 188 HB2 HIS 28 HB2 HIS 28 -7.175 -8.132 -0.982 189 HB3 HIS 28 HB3 HIS 28 -5.587 -7.828 -0.285 190 HD2 HIS 28 HD2 HIS 28 -7.224 -10.962 1.189 191 HE1 HIS 28 HE1 HIS 28 -4.634 -12.281 -1.893 192 HE2 HIS 28 HE2 HIS 28 -6.177 -12.985 -0.022 193 H PHE 29 H PHE 29 -6.258 -6.823 3.091 194 HA PHE 29 HA PHE 29 -7.010 -4.168 2.064 195 HB2 PHE 29 HB2 PHE 29 -6.657 -5.208 4.859 196 HB3 PHE 29 HB3 PHE 29 -6.594 -3.492 4.521 197 HD1 PHE 29 HD1 PHE 29 -8.702 -6.360 5.035 198 HD2 PHE 29 HD2 PHE 29 -8.613 -2.381 3.539 199 HE1 PHE 29 HE1 PHE 29 -11.156 -6.247 5.184 200 HE2 PHE 29 HE2 PHE 29 -11.066 -2.263 3.686 201 HZ PHE 29 HZ PHE 29 -12.341 -4.200 4.513 202 H ARG 30 H ARG 30 -5.471 -2.492 2.164 203 HA ARG 30 HA ARG 30 -2.738 -3.505 2.470 204 HB2 ARG 30 HB2 ARG 30 -3.242 -2.817 0.168 205 HB3 ARG 30 HB3 ARG 30 -3.644 -1.202 0.745 206 HG2 ARG 30 HG2 ARG 30 -1.403 -0.830 1.473 207 HG3 ARG 30 HG3 ARG 30 -0.945 -2.489 1.110 208 HD2 ARG 30 HD2 ARG 30 -0.138 -1.131 -0.637 209 HD3 ARG 30 HD3 ARG 30 -1.525 -2.015 -1.267 210 HE ARG 30 HE ARG 30 -2.294 0.527 -0.261 211 HH11 ARG 30 HH11 ARG 30 -0.894 -1.079 -3.033 212 HH12 ARG 30 HH12 ARG 30 -1.197 0.236 -4.117 213 HH21 ARG 30 HH21 ARG 30 -2.688 2.284 -1.695 214 HH22 ARG 30 HH22 ARG 30 -2.207 2.156 -3.359 215 H VAL 31 H VAL 31 -1.576 -2.741 3.984 216 HA VAL 31 HA VAL 31 -2.089 -0.080 5.096 217 HB VAL 31 HB VAL 31 -1.858 -0.882 7.381 218 HG11 VAL 31 HG11 VAL 31 -4.116 -0.688 6.522 219 HG12 VAL 31 HG12 VAL 31 -4.010 -2.056 7.628 220 HG13 VAL 31 HG13 VAL 31 -4.042 -2.332 5.886 221 HG21 VAL 31 HG21 VAL 31 -1.839 -3.647 6.194 222 HG22 VAL 31 HG22 VAL 31 -1.883 -3.259 7.915 223 HG23 VAL 31 HG23 VAL 31 -0.473 -2.828 6.950 224 H LYS 32 H LYS 32 -0.206 0.325 6.772 225 HA LYS 32 HA LYS 32 2.213 -0.202 5.246 226 HB2 LYS 32 HB2 LYS 32 1.478 2.110 6.142 227 HB3 LYS 32 HB3 LYS 32 2.041 1.528 7.696 228 HG2 LYS 32 HG2 LYS 32 4.258 1.154 6.792 229 HG3 LYS 32 HG3 LYS 32 3.724 1.690 5.207 230 HD2 LYS 32 HD2 LYS 32 3.649 3.419 7.676 231 HD3 LYS 32 HD3 LYS 32 4.978 3.415 6.518 232 HE2 LYS 32 HE2 LYS 32 3.374 4.028 4.734 233 HE3 LYS 32 HE3 LYS 32 2.099 4.121 5.946 234 HZ1 LYS 32 HZ1 LYS 32 3.306 5.896 7.038 235 HZ2 LYS 32 HZ2 LYS 32 3.026 6.294 5.421 236 HZ3 LYS 32 HZ3 LYS 32 4.558 5.779 5.910 237 H TYR 33 H TYR 33 4.190 -0.864 6.367 238 HA TYR 33 HA TYR 33 4.032 -3.152 7.923 239 HB2 TYR 33 HB2 TYR 33 6.242 -1.085 7.897 240 HB3 TYR 33 HB3 TYR 33 6.396 -2.687 8.586 241 HD1 TYR 33 HD1 TYR 33 6.215 -0.733 5.492 242 HD2 TYR 33 HD2 TYR 33 6.687 -4.622 7.154 243 HE1 TYR 33 HE1 TYR 33 7.053 -1.547 3.330 244 HE2 TYR 33 HE2 TYR 33 7.522 -5.450 4.994 245 HH TYR 33 HH TYR 33 8.507 -3.426 2.511 246 H GLY 34 H GLY 34 4.259 0.228 8.951 247 HA2 GLY 34 HA2 GLY 34 4.199 -0.588 11.766 248 HA3 GLY 34 HA3 GLY 34 4.647 1.001 11.169 249 H THR 35 H THR 35 1.842 -0.522 9.838 250 HA THR 35 HA THR 35 0.175 1.588 10.499 251 HB THR 35 HB THR 35 -0.027 -0.956 9.126 252 HG1 THR 35 HG1 THR 35 -0.690 1.685 8.773 253 HG21 THR 35 HG21 THR 35 -1.712 -1.507 10.742 254 HG22 THR 35 HG22 THR 35 -2.521 -1.082 9.229 255 HG23 THR 35 HG23 THR 35 -2.465 0.074 10.564 256 H SER 36 H SER 36 -1.462 1.853 11.976 257 HA SER 36 HA SER 36 -1.137 0.441 14.482 258 HB2 SER 36 HB2 SER 36 -2.880 2.798 13.725 259 HB3 SER 36 HB3 SER 36 -2.672 2.167 15.359 260 HG SER 36 HG SER 36 -0.262 2.529 14.545 261 H MET 37 H MET 37 -2.977 -0.415 15.643 262 HA MET 37 HA MET 37 -4.444 -2.303 14.260 263 HB2 MET 37 HB2 MET 37 -5.695 -2.646 16.300 264 HB3 MET 37 HB3 MET 37 -4.015 -2.327 16.698 265 HG2 MET 37 HG2 MET 37 -4.685 0.063 17.126 266 HG3 MET 37 HG3 MET 37 -6.358 -0.463 16.978 267 HE1 MET 37 HE1 MET 37 -6.442 -3.252 18.297 268 HE2 MET 37 HE2 MET 37 -7.595 -2.014 18.799 269 HE3 MET 37 HE3 MET 37 -6.697 -2.927 20.008 270 H ALA 38 H ALA 38 -5.299 1.017 14.936 271 HA ALA 38 HA ALA 38 -8.058 0.856 14.471 272 HB1 ALA 38 HB1 ALA 38 -6.262 3.222 14.036 273 HB2 ALA 38 HB2 ALA 38 -7.002 2.765 15.572 274 HB3 ALA 38 HB3 ALA 38 -8.014 3.256 14.210 275 H LYS 39 H LYS 39 -5.351 1.263 12.259 276 HA LYS 39 HA LYS 39 -6.736 2.241 10.043 277 HB2 LYS 39 HB2 LYS 39 -4.304 0.463 10.153 278 HB3 LYS 39 HB3 LYS 39 -4.869 1.290 8.716 279 HG2 LYS 39 HG2 LYS 39 -3.969 2.661 11.244 280 HG3 LYS 39 HG3 LYS 39 -2.999 2.462 9.781 281 HD2 LYS 39 HD2 LYS 39 -4.776 3.691 8.535 282 HD3 LYS 39 HD3 LYS 39 -5.561 4.013 10.083 283 HE2 LYS 39 HE2 LYS 39 -2.758 4.832 9.353 284 HE3 LYS 39 HE3 LYS 39 -4.164 5.890 9.293 285 HZ1 LYS 39 HZ1 LYS 39 -2.960 6.249 11.311 286 HZ2 LYS 39 HZ2 LYS 39 -3.006 4.615 11.709 287 HZ3 LYS 39 HZ3 LYS 39 -4.435 5.523 11.697 288 H LEU 40 H LEU 40 -6.180 -1.066 11.104 289 HA LEU 40 HA LEU 40 -7.547 -2.086 8.766 290 HB2 LEU 40 HB2 LEU 40 -7.184 -4.335 9.910 291 HB3 LEU 40 HB3 LEU 40 -5.799 -3.487 9.274 292 HG LEU 40 HG LEU 40 -6.460 -3.149 12.180 293 HD11 LEU 40 HD11 LEU 40 -6.615 -5.563 11.799 294 HD12 LEU 40 HD12 LEU 40 -5.158 -5.154 12.702 295 HD13 LEU 40 HD13 LEU 40 -5.051 -5.540 10.985 296 HD21 LEU 40 HD21 LEU 40 -4.641 -1.874 11.097 297 HD22 LEU 40 HD22 LEU 40 -3.876 -3.392 10.639 298 HD23 LEU 40 HD23 LEU 40 -4.042 -2.969 12.343 299 H LYS 41 H LYS 41 -8.122 -1.905 12.240 300 HA LYS 41 HA LYS 41 -10.490 -3.421 12.283 301 HB2 LYS 41 HB2 LYS 41 -9.473 -1.224 14.078 302 HB3 LYS 41 HB3 LYS 41 -10.920 -2.161 14.407 303 HG2 LYS 41 HG2 LYS 41 -9.747 -4.089 14.838 304 HG3 LYS 41 HG3 LYS 41 -8.303 -3.526 13.986 305 HD2 LYS 41 HD2 LYS 41 -7.923 -3.457 16.367 306 HD3 LYS 41 HD3 LYS 41 -7.984 -1.823 15.705 307 HE2 LYS 41 HE2 LYS 41 -9.223 -1.798 17.752 308 HE3 LYS 41 HE3 LYS 41 -10.384 -1.709 16.434 309 HZ1 LYS 41 HZ1 LYS 41 -11.082 -3.239 18.154 310 HZ2 LYS 41 HZ2 LYS 41 -9.686 -4.157 17.957 311 HZ3 LYS 41 HZ3 LYS 41 -10.823 -4.072 16.708 312 H LYS 42 H LYS 42 -9.976 0.056 12.054 313 HA LYS 42 HA LYS 42 -12.710 0.706 11.867 314 HB2 LYS 42 HB2 LYS 42 -10.963 2.381 12.366 315 HB3 LYS 42 HB3 LYS 42 -10.354 2.221 10.725 316 HG2 LYS 42 HG2 LYS 42 -12.401 3.126 9.827 317 HG3 LYS 42 HG3 LYS 42 -13.127 3.165 11.430 318 HD2 LYS 42 HD2 LYS 42 -12.402 5.386 10.873 319 HD3 LYS 42 HD3 LYS 42 -11.335 4.757 12.128 320 HE2 LYS 42 HE2 LYS 42 -10.010 5.889 10.465 321 HE3 LYS 42 HE3 LYS 42 -9.697 4.157 10.370 322 HZ1 LYS 42 HZ1 LYS 42 -11.524 5.662 8.572 323 HZ2 LYS 42 HZ2 LYS 42 -11.164 4.017 8.472 324 HZ3 LYS 42 HZ3 LYS 42 -9.956 5.156 8.183 325 H SER 43 H SER 43 -10.311 -0.152 9.491 326 HA SER 43 HA SER 43 -11.826 0.481 7.196 327 HB2 SER 43 HB2 SER 43 -9.467 -1.339 7.661 328 HB3 SER 43 HB3 SER 43 -10.183 -1.123 6.049 329 HG SER 43 HG SER 43 -8.615 0.540 7.578 330 H TYR 44 H TYR 44 -11.335 -2.633 8.850 331 HA TYR 44 HA TYR 44 -13.105 -4.049 7.107 332 HB2 TYR 44 HB2 TYR 44 -11.272 -5.072 8.433 333 HB3 TYR 44 HB3 TYR 44 -12.232 -4.783 9.879 334 HD1 TYR 44 HD1 TYR 44 -11.780 -6.897 6.971 335 HD2 TYR 44 HD2 TYR 44 -14.355 -5.992 10.219 336 HE1 TYR 44 HE1 TYR 44 -12.955 -9.023 6.619 337 HE2 TYR 44 HE2 TYR 44 -15.536 -8.114 9.891 338 HH TYR 44 HH TYR 44 -14.360 -10.616 8.032 339 H ALA 45 H ALA 45 -13.428 -2.726 10.351 340 HA ALA 45 HA ALA 45 -15.964 -3.703 10.906 341 HB1 ALA 45 HB1 ALA 45 -16.131 -1.928 12.579 342 HB2 ALA 45 HB2 ALA 45 -14.754 -1.106 11.847 343 HB3 ALA 45 HB3 ALA 45 -14.537 -2.683 12.604 344 H ASP 46 H ASP 46 -14.900 -1.025 9.035 345 HA ASP 46 HA ASP 46 -17.326 0.411 8.881 346 HB2 ASP 46 HB2 ASP 46 -15.237 1.450 8.268 347 HB3 ASP 46 HB3 ASP 46 -15.020 0.331 6.929 348 H ARG 47 H ARG 47 -15.990 -2.130 6.774 349 HA ARG 47 HA ARG 47 -18.065 -1.893 4.829 350 HB2 ARG 47 HB2 ARG 47 -17.125 -3.750 3.744 351 HB3 ARG 47 HB3 ARG 47 -15.746 -3.023 4.563 352 HG2 ARG 47 HG2 ARG 47 -15.802 -4.672 6.286 353 HG3 ARG 47 HG3 ARG 47 -17.316 -5.337 5.671 354 HD2 ARG 47 HD2 ARG 47 -16.094 -5.833 3.534 355 HD3 ARG 47 HD3 ARG 47 -14.604 -5.413 4.378 356 HE ARG 47 HE ARG 47 -15.874 -7.277 5.958 357 HH11 ARG 47 HH11 ARG 47 -14.613 -7.188 2.683 358 HH12 ARG 47 HH12 ARG 47 -14.305 -8.888 2.624 359 HH21 ARG 47 HH21 ARG 47 -15.469 -9.532 5.878 360 HH22 ARG 47 HH22 ARG 47 -14.785 -10.225 4.441 361 H THR 48 H THR 48 -17.819 -3.479 7.856 362 HA THR 48 HA THR 48 -20.099 -5.176 7.210 363 HB THR 48 HB THR 48 -18.214 -6.418 7.990 364 HG1 THR 48 HG1 THR 48 -20.542 -6.300 9.464 365 HG21 THR 48 HG21 THR 48 -16.993 -4.746 9.226 366 HG22 THR 48 HG22 THR 48 -17.316 -6.111 10.295 367 HG23 THR 48 HG23 THR 48 -18.278 -4.641 10.429 368 H GLY 49 H GLY 49 -19.492 -2.262 8.722 369 HA2 GLY 49 HA2 GLY 49 -20.904 -0.866 9.895 370 HA3 GLY 49 HA3 GLY 49 -22.181 -2.051 9.649 371 H VAL 50 H VAL 50 -19.179 -2.825 11.171 372 HA VAL 50 HA VAL 50 -20.615 -3.342 13.674 373 HB VAL 50 HB VAL 50 -18.086 -4.607 12.584 374 HG11 VAL 50 HG11 VAL 50 -18.130 -6.070 14.541 375 HG12 VAL 50 HG12 VAL 50 -19.511 -5.183 15.182 376 HG13 VAL 50 HG13 VAL 50 -17.947 -4.383 15.023 377 HG21 VAL 50 HG21 VAL 50 -19.421 -6.652 12.519 378 HG22 VAL 50 HG22 VAL 50 -20.131 -5.387 11.516 379 HG23 VAL 50 HG23 VAL 50 -20.825 -5.754 13.096 380 H ALA 51 H ALA 51 -19.752 -2.647 15.621 381 HA ALA 51 HA ALA 51 -18.365 -0.266 15.771 382 HB1 ALA 51 HB1 ALA 51 -17.971 -0.852 18.143 383 HB2 ALA 51 HB2 ALA 51 -18.491 -2.506 17.811 384 HB3 ALA 51 HB3 ALA 51 -19.632 -1.174 17.649 385 H VAL 52 H VAL 52 -16.293 0.302 15.741 386 HA VAL 52 HA VAL 52 -14.376 -1.344 14.529 387 HB VAL 52 HB VAL 52 -14.048 1.235 16.070 388 HG11 VAL 52 HG11 VAL 52 -12.039 -0.137 14.289 389 HG12 VAL 52 HG12 VAL 52 -11.936 0.019 16.042 390 HG13 VAL 52 HG13 VAL 52 -11.856 1.457 15.023 391 HG21 VAL 52 HG21 VAL 52 -14.233 0.642 13.123 392 HG22 VAL 52 HG22 VAL 52 -13.839 2.219 13.805 393 HG23 VAL 52 HG23 VAL 52 -15.418 1.494 14.111 394 H ASN 53 H ASN 53 -14.816 -0.377 17.880 395 HA ASN 53 HA ASN 53 -12.522 -1.693 18.896 396 HB2 ASN 53 HB2 ASN 53 -15.083 -0.802 20.226 397 HB3 ASN 53 HB3 ASN 53 -13.734 -1.504 21.113 398 HD21 ASN 53 HD21 ASN 53 -11.772 -0.324 21.236 399 HD22 ASN 53 HD22 ASN 53 -11.748 1.381 20.968 400 H SER 54 H SER 54 -15.770 -2.700 18.190 401 HA SER 54 HA SER 54 -15.662 -5.161 19.643 402 HB2 SER 54 HB2 SER 54 -17.571 -4.175 17.534 403 HB3 SER 54 HB3 SER 54 -17.772 -5.669 18.442 404 HG SER 54 HG SER 54 -17.314 -3.400 19.963 405 H LEU 55 H LEU 55 -14.324 -4.209 16.687 406 HA LEU 55 HA LEU 55 -14.512 -6.888 15.539 407 HB2 LEU 55 HB2 LEU 55 -14.446 -4.401 14.383 408 HB3 LEU 55 HB3 LEU 55 -12.769 -4.887 14.246 409 HG LEU 55 HG LEU 55 -13.825 -5.471 12.207 410 HD11 LEU 55 HD11 LEU 55 -13.608 -7.973 13.869 411 HD12 LEU 55 HD12 LEU 55 -12.285 -7.162 13.034 412 HD13 LEU 55 HD13 LEU 55 -13.595 -7.894 12.108 413 HD21 LEU 55 HD21 LEU 55 -15.823 -6.876 12.079 414 HD22 LEU 55 HD22 LEU 55 -16.134 -5.370 12.943 415 HD23 LEU 55 HD23 LEU 55 -15.932 -6.875 13.839 416 H ARG 56 H ARG 56 -12.942 -8.342 15.787 417 HA ARG 56 HA ARG 56 -10.682 -7.498 17.467 418 HB2 ARG 56 HB2 ARG 56 -11.783 -10.276 17.100 419 HB3 ARG 56 HB3 ARG 56 -10.675 -9.718 18.343 420 HG2 ARG 56 HG2 ARG 56 -13.568 -8.918 18.057 421 HG3 ARG 56 HG3 ARG 56 -12.914 -10.049 19.240 422 HD2 ARG 56 HD2 ARG 56 -12.181 -7.136 19.014 423 HD3 ARG 56 HD3 ARG 56 -13.331 -7.806 20.168 424 HE ARG 56 HE ARG 56 -10.981 -9.227 20.505 425 HH11 ARG 56 HH11 ARG 56 -12.031 -5.900 20.856 426 HH12 ARG 56 HH12 ARG 56 -10.877 -5.522 22.080 427 HH21 ARG 56 HH21 ARG 56 -9.440 -8.734 22.121 428 HH22 ARG 56 HH22 ARG 56 -9.392 -7.160 22.824 429 H PHE 57 H PHE 57 -8.867 -7.202 16.238 430 HA PHE 57 HA PHE 57 -8.298 -9.303 14.266 431 HB2 PHE 57 HB2 PHE 57 -7.298 -6.473 14.482 432 HB3 PHE 57 HB3 PHE 57 -6.583 -7.688 13.428 433 HD1 PHE 57 HD1 PHE 57 -9.702 -5.854 14.120 434 HD2 PHE 57 HD2 PHE 57 -7.472 -8.185 11.384 435 HE1 PHE 57 HE1 PHE 57 -11.316 -5.311 12.349 436 HE2 PHE 57 HE2 PHE 57 -9.074 -7.658 9.610 437 HZ PHE 57 HZ PHE 57 -10.995 -6.225 10.090 438 H LEU 58 H LEU 58 -6.747 -10.651 14.657 439 HA LEU 58 HA LEU 58 -4.673 -9.921 16.597 440 HB2 LEU 58 HB2 LEU 58 -6.440 -12.307 16.592 441 HB3 LEU 58 HB3 LEU 58 -4.759 -12.561 17.014 442 HG LEU 58 HG LEU 58 -5.082 -10.739 18.764 443 HD11 LEU 58 HD11 LEU 58 -7.331 -10.342 19.561 444 HD12 LEU 58 HD12 LEU 58 -7.982 -11.310 18.241 445 HD13 LEU 58 HD13 LEU 58 -7.148 -9.795 17.894 446 HD21 LEU 58 HD21 LEU 58 -4.888 -13.088 19.331 447 HD22 LEU 58 HD22 LEU 58 -6.621 -13.303 19.077 448 HD23 LEU 58 HD23 LEU 58 -6.041 -12.272 20.384 449 H PHE 59 H PHE 59 -2.652 -10.707 16.180 450 HA PHE 59 HA PHE 59 -2.344 -11.893 13.510 451 HB2 PHE 59 HB2 PHE 59 -1.374 -9.637 13.694 452 HB3 PHE 59 HB3 PHE 59 -0.427 -10.157 15.080 453 HD1 PHE 59 HD1 PHE 59 -1.038 -11.247 11.576 454 HD2 PHE 59 HD2 PHE 59 1.769 -10.641 14.700 455 HE1 PHE 59 HE1 PHE 59 0.779 -11.915 10.061 456 HE2 PHE 59 HE2 PHE 59 3.591 -11.321 13.202 457 HZ PHE 59 HZ PHE 59 3.100 -11.953 10.878 458 H ASP 60 H ASP 60 -1.804 -13.948 13.577 459 HA ASP 60 HA ASP 60 -1.001 -15.966 14.242 460 HB2 ASP 60 HB2 ASP 60 1.096 -14.189 15.487 461 HB3 ASP 60 HB3 ASP 60 1.198 -15.945 15.507 462 H GLY 61 H GLY 61 -2.785 -14.306 16.111 463 HA2 GLY 61 HA2 GLY 61 -4.037 -15.309 17.868 464 HA3 GLY 61 HA3 GLY 61 -2.605 -16.220 18.324 465 H ARG 62 H ARG 62 -1.710 -13.058 17.718 466 HA ARG 62 HA ARG 62 -2.161 -12.315 20.529 467 HB2 ARG 62 HB2 ARG 62 -0.033 -11.034 20.412 468 HB3 ARG 62 HB3 ARG 62 0.173 -12.768 20.206 469 HG2 ARG 62 HG2 ARG 62 1.625 -11.881 18.651 470 HG3 ARG 62 HG3 ARG 62 0.194 -12.256 17.695 471 HD2 ARG 62 HD2 ARG 62 0.877 -10.115 16.996 472 HD3 ARG 62 HD3 ARG 62 -0.503 -9.844 18.063 473 HE ARG 62 HE ARG 62 1.927 -9.747 19.512 474 HH11 ARG 62 HH11 ARG 62 -0.020 -7.874 17.293 475 HH12 ARG 62 HH12 ARG 62 0.573 -6.344 17.855 476 HH21 ARG 62 HH21 ARG 62 2.753 -7.738 20.209 477 HH22 ARG 62 HH22 ARG 62 2.171 -6.268 19.495 478 H ARG 63 H ARG 63 -2.582 -10.209 20.994 479 HA ARG 63 HA ARG 63 -4.448 -9.072 19.197 480 HB2 ARG 63 HB2 ARG 63 -3.301 -8.141 21.805 481 HB3 ARG 63 HB3 ARG 63 -4.610 -7.323 20.961 482 HG2 ARG 63 HG2 ARG 63 -6.103 -9.045 21.331 483 HG3 ARG 63 HG3 ARG 63 -4.823 -10.226 21.620 484 HD2 ARG 63 HD2 ARG 63 -5.966 -9.607 23.679 485 HD3 ARG 63 HD3 ARG 63 -4.263 -9.156 23.694 486 HE ARG 63 HE ARG 63 -6.366 -7.186 23.062 487 HH11 ARG 63 HH11 ARG 63 -3.578 -8.179 24.943 488 HH12 ARG 63 HH12 ARG 63 -3.450 -6.684 25.797 489 HH21 ARG 63 HH21 ARG 63 -6.210 -5.203 24.204 490 HH22 ARG 63 HH22 ARG 63 -4.968 -4.986 25.387 491 H ILE 64 H ILE 64 -4.348 -7.445 17.858 492 HA ILE 64 HA ILE 64 -1.762 -6.179 17.364 493 HB ILE 64 HB ILE 64 -4.398 -6.018 15.865 494 HG12 ILE 64 HG12 ILE 64 -1.850 -7.460 15.105 495 HG13 ILE 64 HG13 ILE 64 -3.255 -8.239 15.826 496 HG21 ILE 64 HG21 ILE 64 -1.677 -4.994 15.039 497 HG22 ILE 64 HG22 ILE 64 -3.026 -3.994 15.581 498 HG23 ILE 64 HG23 ILE 64 -3.159 -4.917 14.084 499 HD11 ILE 64 HD11 ILE 64 -3.171 -6.828 13.171 500 HD12 ILE 64 HD12 ILE 64 -4.597 -7.571 13.895 501 HD13 ILE 64 HD13 ILE 64 -3.222 -8.571 13.434 502 H ASN 65 H ASN 65 -1.295 -4.330 18.269 503 HA ASN 65 HA ASN 65 -3.520 -2.582 19.074 504 HB2 ASN 65 HB2 ASN 65 -0.876 -3.055 20.454 505 HB3 ASN 65 HB3 ASN 65 -1.977 -1.750 20.872 506 HD21 ASN 65 HD21 ASN 65 -1.268 -5.073 21.178 507 HD22 ASN 65 HD22 ASN 65 -2.592 -5.493 22.203 508 H ASP 66 H ASP 66 -3.019 -0.295 19.121 509 HA ASP 66 HA ASP 66 -1.713 0.543 16.724 510 HB2 ASP 66 HB2 ASP 66 -2.270 2.814 17.455 511 HB3 ASP 66 HB3 ASP 66 -3.655 1.745 17.632 512 H ASP 67 H ASP 67 -0.626 -0.170 19.787 513 HA ASP 67 HA ASP 67 1.561 1.717 19.891 514 HB2 ASP 67 HB2 ASP 67 0.421 0.986 21.943 515 HB3 ASP 67 HB3 ASP 67 0.922 -0.669 21.626 516 H ASP 68 H ASP 68 0.971 -1.389 18.562 517 HA ASP 68 HA ASP 68 3.508 -2.557 18.812 518 HB2 ASP 68 HB2 ASP 68 1.328 -2.982 16.782 519 HB3 ASP 68 HB3 ASP 68 2.807 -3.932 16.821 520 H THR 69 H THR 69 5.234 -2.700 17.486 521 HA THR 69 HA THR 69 5.535 -0.522 15.561 522 HB THR 69 HB THR 69 7.978 -0.935 15.841 523 HG1 THR 69 HG1 THR 69 8.020 -2.336 18.064 524 HG21 THR 69 HG21 THR 69 6.493 -0.529 18.443 525 HG22 THR 69 HG22 THR 69 6.836 0.726 17.253 526 HG23 THR 69 HG23 THR 69 8.160 -0.052 18.118 527 HA PRO 70 HA PRO 70 5.729 -3.230 12.064 528 HB2 PRO 70 HB2 PRO 70 7.970 -2.317 10.744 529 HB3 PRO 70 HB3 PRO 70 6.393 -1.521 10.688 530 HG2 PRO 70 HG2 PRO 70 8.770 -0.894 12.402 531 HG3 PRO 70 HG3 PRO 70 7.701 0.216 11.522 532 HD2 PRO 70 HD2 PRO 70 7.429 -0.144 14.145 533 HD3 PRO 70 HD3 PRO 70 6.004 0.030 13.101 534 H LYS 71 H LYS 71 8.489 -2.978 14.164 535 HA LYS 71 HA LYS 71 9.866 -5.175 12.945 536 HB2 LYS 71 HB2 LYS 71 11.493 -3.784 13.696 537 HB3 LYS 71 HB3 LYS 71 10.472 -3.086 14.937 538 HG2 LYS 71 HG2 LYS 71 11.479 -5.850 15.322 539 HG3 LYS 71 HG3 LYS 71 12.598 -4.500 15.532 540 HD2 LYS 71 HD2 LYS 71 11.537 -3.737 17.393 541 HD3 LYS 71 HD3 LYS 71 9.947 -4.256 16.826 542 HE2 LYS 71 HE2 LYS 71 10.601 -5.557 18.733 543 HE3 LYS 71 HE3 LYS 71 10.547 -6.557 17.281 544 HZ1 LYS 71 HZ1 LYS 71 12.961 -6.410 17.123 545 HZ2 LYS 71 HZ2 LYS 71 12.517 -7.035 18.626 546 HZ3 LYS 71 HZ3 LYS 71 13.022 -5.432 18.501 547 H THR 72 H THR 72 7.523 -4.739 15.424 548 HA THR 72 HA THR 72 8.169 -7.321 16.600 549 HB THR 72 HB THR 72 7.634 -5.296 18.096 550 HG1 THR 72 HG1 THR 72 6.002 -7.609 18.472 551 HG21 THR 72 HG21 THR 72 4.820 -5.969 17.214 552 HG22 THR 72 HG22 THR 72 5.676 -4.465 16.882 553 HG23 THR 72 HG23 THR 72 5.244 -4.886 18.539 554 H LEU 73 H LEU 73 5.747 -5.656 14.685 555 HA LEU 73 HA LEU 73 3.868 -7.793 14.693 556 HB2 LEU 73 HB2 LEU 73 4.247 -5.521 12.742 557 HB3 LEU 73 HB3 LEU 73 2.896 -6.638 12.737 558 HG LEU 73 HG LEU 73 3.540 -4.752 14.996 559 HD11 LEU 73 HD11 LEU 73 2.856 -3.535 13.003 560 HD12 LEU 73 HD12 LEU 73 1.590 -3.491 14.230 561 HD13 LEU 73 HD13 LEU 73 1.437 -4.571 12.844 562 HD21 LEU 73 HD21 LEU 73 1.308 -5.366 15.798 563 HD22 LEU 73 HD22 LEU 73 2.376 -6.766 15.723 564 HD23 LEU 73 HD23 LEU 73 1.152 -6.523 14.478 565 H GLU 74 H GLU 74 6.748 -7.057 12.929 566 HA GLU 74 HA GLU 74 7.913 -8.123 11.292 567 HB2 GLU 74 HB2 GLU 74 6.573 -10.354 12.737 568 HB3 GLU 74 HB3 GLU 74 7.898 -10.608 11.593 569 HG2 GLU 74 HG2 GLU 74 9.349 -9.295 13.026 570 HG3 GLU 74 HG3 GLU 74 8.002 -8.986 14.121 571 H MET 75 H MET 75 5.275 -7.241 10.440 572 HA MET 75 HA MET 75 4.231 -9.327 8.734 573 HB2 MET 75 HB2 MET 75 3.431 -6.430 9.010 574 HB3 MET 75 HB3 MET 75 2.568 -7.644 8.077 575 HG2 MET 75 HG2 MET 75 2.141 -8.897 10.121 576 HG3 MET 75 HG3 MET 75 2.992 -7.672 11.046 577 HE1 MET 75 HE1 MET 75 0.048 -8.553 11.808 578 HE2 MET 75 HE2 MET 75 -0.685 -6.980 12.121 579 HE3 MET 75 HE3 MET 75 0.961 -7.309 12.657 580 H GLU 76 H GLU 76 3.919 -8.999 6.429 581 HA GLU 76 HA GLU 76 5.523 -7.014 5.139 582 HB2 GLU 76 HB2 GLU 76 6.752 -8.604 3.725 583 HB3 GLU 76 HB3 GLU 76 7.188 -8.792 5.414 584 HG2 GLU 76 HG2 GLU 76 5.850 -10.789 5.579 585 HG3 GLU 76 HG3 GLU 76 5.258 -10.562 3.932 586 H ASP 77 H ASP 77 5.302 -7.681 2.615 587 HA ASP 77 HA ASP 77 2.653 -7.122 2.064 588 HB2 ASP 77 HB2 ASP 77 4.564 -6.642 0.551 589 HB3 ASP 77 HB3 ASP 77 4.638 -8.356 0.153 590 H ASP 78 H ASP 78 0.943 -8.231 2.001 591 HA ASP 78 HA ASP 78 -0.630 -9.738 1.703 592 HB2 ASP 78 HB2 ASP 78 -0.562 -11.353 0.000 593 HB3 ASP 78 HB3 ASP 78 0.493 -10.064 -0.531 594 H ASP 79 H ASP 79 0.858 -9.831 4.065 595 HA ASP 79 HA ASP 79 1.024 -12.612 4.808 596 HB2 ASP 79 HB2 ASP 79 2.242 -10.480 5.880 597 HB3 ASP 79 HB3 ASP 79 0.820 -10.542 6.923 598 H VAL 80 H VAL 80 -0.219 -12.976 7.100 599 HA VAL 80 HA VAL 80 -3.035 -12.677 6.304 600 HB VAL 80 HB VAL 80 -3.457 -14.802 7.467 601 HG11 VAL 80 HG11 VAL 80 -1.282 -14.895 5.390 602 HG12 VAL 80 HG12 VAL 80 -3.021 -14.857 5.097 603 HG13 VAL 80 HG13 VAL 80 -2.287 -16.268 5.861 604 HG21 VAL 80 HG21 VAL 80 -1.523 -16.200 8.146 605 HG22 VAL 80 HG22 VAL 80 -1.698 -14.738 9.117 606 HG23 VAL 80 HG23 VAL 80 -0.470 -14.811 7.855 607 H ILE 81 H ILE 81 -4.572 -12.427 7.916 608 HA ILE 81 HA ILE 81 -3.604 -11.773 10.591 609 HB ILE 81 HB ILE 81 -4.616 -9.858 8.751 610 HG12 ILE 81 HG12 ILE 81 -4.440 -8.331 10.740 611 HG13 ILE 81 HG13 ILE 81 -4.118 -9.755 11.723 612 HG21 ILE 81 HG21 ILE 81 -6.591 -8.973 9.805 613 HG22 ILE 81 HG22 ILE 81 -6.544 -10.236 11.033 614 HG23 ILE 81 HG23 ILE 81 -6.884 -10.654 9.357 615 HD11 ILE 81 HD11 ILE 81 -2.447 -8.721 9.450 616 HD12 ILE 81 HD12 ILE 81 -2.143 -10.219 10.323 617 HD13 ILE 81 HD13 ILE 81 -2.055 -8.672 11.168 618 H GLU 82 H GLU 82 -5.032 -12.280 12.239 619 HA GLU 82 HA GLU 82 -7.153 -14.127 11.428 620 HB2 GLU 82 HB2 GLU 82 -5.679 -13.846 14.039 621 HB3 GLU 82 HB3 GLU 82 -6.894 -15.060 13.679 622 HG2 GLU 82 HG2 GLU 82 -4.417 -14.802 12.018 623 HG3 GLU 82 HG3 GLU 82 -4.433 -15.752 13.509 624 H VAL 83 H VAL 83 -9.188 -13.838 12.149 625 HA VAL 83 HA VAL 83 -9.681 -11.427 13.747 626 HB VAL 83 HB VAL 83 -11.331 -12.459 11.433 627 HG11 VAL 83 HG11 VAL 83 -12.823 -10.553 11.853 628 HG12 VAL 83 HG12 VAL 83 -11.901 -10.157 13.303 629 HG13 VAL 83 HG13 VAL 83 -12.808 -11.666 13.221 630 HG21 VAL 83 HG21 VAL 83 -10.827 -10.334 10.424 631 HG22 VAL 83 HG22 VAL 83 -9.333 -11.177 10.845 632 HG23 VAL 83 HG23 VAL 83 -9.919 -9.849 11.854 633 H TYR 84 H TYR 84 -10.850 -11.662 15.482 634 HA TYR 84 HA TYR 84 -12.110 -14.240 15.959 635 HB2 TYR 84 HB2 TYR 84 -11.038 -12.148 17.833 636 HB3 TYR 84 HB3 TYR 84 -12.094 -13.446 18.381 637 HD1 TYR 84 HD1 TYR 84 -8.773 -12.669 16.990 638 HD2 TYR 84 HD2 TYR 84 -11.311 -15.716 18.510 639 HE1 TYR 84 HE1 TYR 84 -6.851 -14.199 17.140 640 HE2 TYR 84 HE2 TYR 84 -9.401 -17.244 18.670 641 HH TYR 84 HH TYR 84 -6.271 -16.295 18.575 642 H GLN 85 H GLN 85 -14.096 -14.012 17.515 643 HA GLN 85 HA GLN 85 -15.999 -12.831 15.786 644 HB2 GLN 85 HB2 GLN 85 -16.397 -14.009 18.531 645 HB3 GLN 85 HB3 GLN 85 -17.672 -13.649 17.377 646 HG2 GLN 85 HG2 GLN 85 -15.461 -15.662 17.020 647 HG3 GLN 85 HG3 GLN 85 -17.150 -16.015 17.375 648 HE21 GLN 85 HE21 GLN 85 -15.474 -16.839 15.138 649 HE22 GLN 85 HE22 GLN 85 -16.295 -16.315 13.711 650 H GLU 86 H GLU 86 -17.114 -11.058 15.870 651 HA GLU 86 HA GLU 86 -16.166 -8.934 17.535 652 HB2 GLU 86 HB2 GLU 86 -17.353 -7.500 16.091 653 HB3 GLU 86 HB3 GLU 86 -16.648 -8.756 15.087 654 HG2 GLU 86 HG2 GLU 86 -19.514 -8.647 16.004 655 HG3 GLU 86 HG3 GLU 86 -18.934 -8.205 14.402 656 H GLN 87 H GLN 87 -17.575 -7.463 18.648 657 HA GLN 87 HA GLN 87 -19.317 -8.894 20.427 658 HB2 GLN 87 HB2 GLN 87 -17.767 -7.301 21.338 659 HB3 GLN 87 HB3 GLN 87 -18.443 -6.014 20.352 660 HG2 GLN 87 HG2 GLN 87 -20.472 -6.052 21.561 661 HG3 GLN 87 HG3 GLN 87 -19.979 -7.487 22.469 662 HE21 GLN 87 HE21 GLN 87 -20.800 -4.937 23.482 663 HE22 GLN 87 HE22 GLN 87 -19.472 -4.315 24.399 664 H LEU 88 H LEU 88 -19.756 -6.067 18.294 665 HA LEU 88 HA LEU 88 -22.504 -5.790 18.842 666 HB2 LEU 88 HB2 LEU 88 -21.162 -3.959 17.948 667 HB3 LEU 88 HB3 LEU 88 -20.938 -4.836 16.451 668 HG LEU 88 HG LEU 88 -23.352 -4.666 15.988 669 HD11 LEU 88 HD11 LEU 88 -24.741 -3.183 17.354 670 HD12 LEU 88 HD12 LEU 88 -23.416 -3.003 18.505 671 HD13 LEU 88 HD13 LEU 88 -24.178 -4.577 18.274 672 HD21 LEU 88 HD21 LEU 88 -21.983 -2.048 16.588 673 HD22 LEU 88 HD22 LEU 88 -23.400 -2.245 15.559 674 HD23 LEU 88 HD23 LEU 88 -21.866 -2.977 15.094 675 H GLY 89 H GLY 89 -20.789 -7.513 16.298 676 HA2 GLY 89 HA2 GLY 89 -21.802 -9.624 15.579 677 HA3 GLY 89 HA3 GLY 89 -23.356 -8.811 15.618 678 H GLY 90 H GLY 90 -21.027 -9.960 13.652 679 HA2 GLY 90 HA2 GLY 90 -21.360 -7.924 11.569 680 HA3 GLY 90 HA3 GLY 90 -20.214 -9.258 11.544 Start of MODEL 16 1 H MET 1 H MET 1 12.652 13.544 8.158 2 HA MET 1 HA MET 1 12.841 10.678 8.834 3 HB2 MET 1 HB2 MET 1 14.413 13.066 9.827 4 HB3 MET 1 HB3 MET 1 14.553 11.435 10.465 5 HG2 MET 1 HG2 MET 1 15.326 10.660 8.278 6 HG3 MET 1 HG3 MET 1 15.223 12.310 7.667 7 HE1 MET 1 HE1 MET 1 18.048 14.161 9.534 8 HE2 MET 1 HE2 MET 1 16.324 14.147 9.898 9 HE3 MET 1 HE3 MET 1 16.868 14.214 8.223 10 H ALA 2 H ALA 2 10.968 13.292 9.167 11 HA ALA 2 HA ALA 2 10.508 13.262 11.999 12 HB1 ALA 2 HB1 ALA 2 8.901 14.499 9.765 13 HB2 ALA 2 HB2 ALA 2 10.173 15.295 10.691 14 HB3 ALA 2 HB3 ALA 2 8.678 14.804 11.486 15 H ASP 3 H ASP 3 8.399 12.715 12.963 16 HA ASP 3 HA ASP 3 7.462 10.167 11.991 17 HB2 ASP 3 HB2 ASP 3 6.137 10.049 13.995 18 HB3 ASP 3 HB3 ASP 3 7.702 10.717 14.440 19 H ASP 4 H ASP 4 6.812 13.265 11.190 20 HA ASP 4 HA ASP 4 4.037 13.364 10.763 21 HB2 ASP 4 HB2 ASP 4 6.347 14.672 9.323 22 HB3 ASP 4 HB3 ASP 4 4.667 15.001 8.923 23 H ALA 5 H ALA 5 6.701 12.060 8.927 24 HA ALA 5 HA ALA 5 6.863 10.559 7.269 25 HB1 ALA 5 HB1 ALA 5 3.853 10.340 7.280 26 HB2 ALA 5 HB2 ALA 5 4.948 9.351 8.247 27 HB3 ALA 5 HB3 ALA 5 4.982 9.239 6.488 28 H ALA 6 H ALA 6 4.818 13.246 6.992 29 HA ALA 6 HA ALA 6 4.383 14.753 5.348 30 HB1 ALA 6 HB1 ALA 6 6.814 15.005 5.436 31 HB2 ALA 6 HB2 ALA 6 6.193 15.267 3.806 32 HB3 ALA 6 HB3 ALA 6 6.987 13.747 4.213 33 H GLN 7 H GLN 7 2.511 13.699 4.592 34 HA GLN 7 HA GLN 7 1.134 12.751 3.048 35 HB2 GLN 7 HB2 GLN 7 3.248 14.035 1.591 36 HB3 GLN 7 HB3 GLN 7 2.769 12.567 0.762 37 HG2 GLN 7 HG2 GLN 7 0.821 14.663 1.648 38 HG3 GLN 7 HG3 GLN 7 1.589 14.673 0.059 39 HE21 GLN 7 HE21 GLN 7 -1.217 14.439 0.712 40 HE22 GLN 7 HE22 GLN 7 -1.756 12.935 0.051 41 H ALA 8 H ALA 8 1.406 10.981 1.066 42 HA ALA 8 HA ALA 8 2.475 8.669 2.486 43 HB1 ALA 8 HB1 ALA 8 0.209 8.520 1.580 44 HB2 ALA 8 HB2 ALA 8 1.278 7.355 0.796 45 HB3 ALA 8 HB3 ALA 8 0.829 8.844 -0.038 46 H GLY 9 H GLY 9 3.532 10.959 0.425 47 HA2 GLY 9 HA2 GLY 9 5.380 11.137 -0.911 48 HA3 GLY 9 HA3 GLY 9 5.818 9.494 -0.439 49 H ASP 10 H ASP 10 2.691 10.060 -1.585 50 HA ASP 10 HA ASP 10 1.499 9.135 -3.265 51 HB2 ASP 10 HB2 ASP 10 2.681 10.968 -4.458 52 HB3 ASP 10 HB3 ASP 10 3.912 9.808 -4.958 53 H ASN 11 H ASN 11 2.414 7.298 -1.762 54 HA ASN 11 HA ASN 11 4.258 5.427 -2.766 55 HB2 ASN 11 HB2 ASN 11 3.563 5.528 -0.388 56 HB3 ASN 11 HB3 ASN 11 1.956 4.980 -0.849 57 HD21 ASN 11 HD21 ASN 11 1.615 2.831 -1.275 58 HD22 ASN 11 HD22 ASN 11 2.821 1.618 -1.038 59 H ALA 12 H ALA 12 0.747 5.652 -2.841 60 HA ALA 12 HA ALA 12 -0.839 4.726 -4.143 61 HB1 ALA 12 HB1 ALA 12 -0.327 4.525 -6.480 62 HB2 ALA 12 HB2 ALA 12 1.399 4.388 -6.124 63 HB3 ALA 12 HB3 ALA 12 0.559 5.906 -5.816 64 H GLU 13 H GLU 13 -0.680 2.642 -6.045 65 HA GLU 13 HA GLU 13 -0.855 0.406 -6.165 66 HB2 GLU 13 HB2 GLU 13 1.774 0.615 -4.747 67 HB3 GLU 13 HB3 GLU 13 1.188 -0.839 -5.557 68 HG2 GLU 13 HG2 GLU 13 1.139 0.406 -7.669 69 HG3 GLU 13 HG3 GLU 13 1.781 1.819 -6.835 70 H TYR 14 H TYR 14 -2.650 0.718 -4.572 71 HA TYR 14 HA TYR 14 -1.991 -0.520 -2.023 72 HB2 TYR 14 HB2 TYR 14 -4.458 1.009 -2.846 73 HB3 TYR 14 HB3 TYR 14 -4.214 0.262 -1.270 74 HD1 TYR 14 HD1 TYR 14 -3.549 3.146 -3.301 75 HD2 TYR 14 HD2 TYR 14 -2.276 1.014 0.138 76 HE1 TYR 14 HE1 TYR 14 -2.294 5.132 -2.537 77 HE2 TYR 14 HE2 TYR 14 -1.029 2.978 0.918 78 HH TYR 14 HH TYR 14 -1.449 6.037 -0.329 79 H ILE 15 H ILE 15 -3.309 -2.152 -1.200 80 HA ILE 15 HA ILE 15 -4.200 -3.941 -3.355 81 HB ILE 15 HB ILE 15 -3.408 -5.782 -2.083 82 HG12 ILE 15 HG12 ILE 15 -3.102 -3.865 0.228 83 HG13 ILE 15 HG13 ILE 15 -4.340 -5.113 0.031 84 HG21 ILE 15 HG21 ILE 15 -1.623 -4.559 -3.157 85 HG22 ILE 15 HG22 ILE 15 -1.070 -5.288 -1.650 86 HG23 ILE 15 HG23 ILE 15 -1.427 -3.562 -1.714 87 HD11 ILE 15 HD11 ILE 15 -2.673 -6.845 0.187 88 HD12 ILE 15 HD12 ILE 15 -2.568 -5.775 1.592 89 HD13 ILE 15 HD13 ILE 15 -1.386 -5.639 0.289 90 H LYS 16 H LYS 16 -5.875 -5.445 -2.667 91 HA LYS 16 HA LYS 16 -7.720 -4.109 -0.832 92 HB2 LYS 16 HB2 LYS 16 -8.252 -4.426 -3.293 93 HB3 LYS 16 HB3 LYS 16 -8.441 -6.127 -2.907 94 HG2 LYS 16 HG2 LYS 16 -10.245 -5.713 -1.448 95 HG3 LYS 16 HG3 LYS 16 -9.965 -3.962 -1.512 96 HD2 LYS 16 HD2 LYS 16 -11.875 -4.525 -2.897 97 HD3 LYS 16 HD3 LYS 16 -10.537 -4.012 -3.925 98 HE2 LYS 16 HE2 LYS 16 -10.002 -6.344 -4.398 99 HE3 LYS 16 HE3 LYS 16 -11.315 -6.866 -3.346 100 HZ1 LYS 16 HZ1 LYS 16 -11.995 -6.921 -5.645 101 HZ2 LYS 16 HZ2 LYS 16 -11.600 -5.292 -5.845 102 HZ3 LYS 16 HZ3 LYS 16 -12.870 -5.730 -4.823 103 H ILE 17 H ILE 17 -8.706 -5.297 0.725 104 HA ILE 17 HA ILE 17 -7.952 -8.108 0.907 105 HB ILE 17 HB ILE 17 -7.735 -6.103 3.145 106 HG12 ILE 17 HG12 ILE 17 -5.699 -7.998 1.944 107 HG13 ILE 17 HG13 ILE 17 -5.802 -6.272 1.617 108 HG21 ILE 17 HG21 ILE 17 -7.644 -9.120 3.226 109 HG22 ILE 17 HG22 ILE 17 -8.778 -8.061 4.066 110 HG23 ILE 17 HG23 ILE 17 -7.076 -8.083 4.529 111 HD11 ILE 17 HD11 ILE 17 -4.059 -6.661 3.203 112 HD12 ILE 17 HD12 ILE 17 -5.144 -7.591 4.234 113 HD13 ILE 17 HD13 ILE 17 -5.396 -5.860 4.032 114 H LYS 18 H LYS 18 -9.508 -9.475 1.467 115 HA LYS 18 HA LYS 18 -12.137 -8.321 1.992 116 HB2 LYS 18 HB2 LYS 18 -11.673 -11.261 1.729 117 HB3 LYS 18 HB3 LYS 18 -13.079 -10.319 1.306 118 HG2 LYS 18 HG2 LYS 18 -11.656 -9.371 -0.631 119 HG3 LYS 18 HG3 LYS 18 -10.550 -10.691 -0.252 120 HD2 LYS 18 HD2 LYS 18 -13.480 -11.030 -0.879 121 HD3 LYS 18 HD3 LYS 18 -12.155 -11.312 -2.010 122 HE2 LYS 18 HE2 LYS 18 -11.305 -13.098 -0.653 123 HE3 LYS 18 HE3 LYS 18 -12.468 -12.741 0.623 124 HZ1 LYS 18 HZ1 LYS 18 -13.237 -13.585 -2.107 125 HZ2 LYS 18 HZ2 LYS 18 -14.236 -13.442 -0.750 126 HZ3 LYS 18 HZ3 LYS 18 -13.053 -14.652 -0.807 127 H VAL 19 H VAL 19 -12.311 -7.891 4.118 128 HA VAL 19 HA VAL 19 -11.329 -9.669 6.148 129 HB VAL 19 HB VAL 19 -13.131 -7.235 6.259 130 HG11 VAL 19 HG11 VAL 19 -11.827 -8.669 8.560 131 HG12 VAL 19 HG12 VAL 19 -13.523 -8.834 8.112 132 HG13 VAL 19 HG13 VAL 19 -12.904 -7.273 8.642 133 HG21 VAL 19 HG21 VAL 19 -10.228 -7.574 7.007 134 HG22 VAL 19 HG22 VAL 19 -11.180 -6.098 7.180 135 HG23 VAL 19 HG23 VAL 19 -10.836 -6.744 5.575 136 H VAL 20 H VAL 20 -12.427 -11.508 6.625 137 HA VAL 20 HA VAL 20 -15.338 -11.356 6.403 138 HB VAL 20 HB VAL 20 -14.545 -12.769 4.612 139 HG11 VAL 20 HG11 VAL 20 -12.401 -13.422 5.497 140 HG12 VAL 20 HG12 VAL 20 -13.334 -14.837 5.007 141 HG13 VAL 20 HG13 VAL 20 -13.188 -14.428 6.717 142 HG21 VAL 20 HG21 VAL 20 -16.645 -13.405 5.679 143 HG22 VAL 20 HG22 VAL 20 -15.768 -14.423 6.821 144 HG23 VAL 20 HG23 VAL 20 -15.777 -14.830 5.105 145 H GLY 21 H GLY 21 -16.382 -11.600 8.136 146 HA2 GLY 21 HA2 GLY 21 -15.029 -12.608 10.518 147 HA3 GLY 21 HA3 GLY 21 -16.566 -11.757 10.483 148 H GLN 22 H GLN 22 -16.530 -13.866 12.049 149 HA GLN 22 HA GLN 22 -16.974 -16.335 10.728 150 HB2 GLN 22 HB2 GLN 22 -17.538 -15.519 13.565 151 HB3 GLN 22 HB3 GLN 22 -17.639 -17.163 12.955 152 HG2 GLN 22 HG2 GLN 22 -15.177 -15.439 13.030 153 HG3 GLN 22 HG3 GLN 22 -15.535 -16.795 14.099 154 HE21 GLN 22 HE21 GLN 22 -13.360 -16.267 12.141 155 HE22 GLN 22 HE22 GLN 22 -13.340 -17.664 11.118 156 H ASP 23 H ASP 23 -19.009 -13.781 11.750 157 HA ASP 23 HA ASP 23 -21.428 -15.282 11.332 158 HB2 ASP 23 HB2 ASP 23 -20.800 -12.471 12.068 159 HB3 ASP 23 HB3 ASP 23 -22.345 -12.759 11.269 160 H SER 24 H SER 24 -19.323 -14.955 9.234 161 HA SER 24 HA SER 24 -19.276 -15.096 6.969 162 HB2 SER 24 HB2 SER 24 -22.265 -14.655 7.076 163 HB3 SER 24 HB3 SER 24 -21.346 -15.265 5.703 164 HG SER 24 HG SER 24 -20.662 -16.900 7.504 165 H ASN 25 H ASN 25 -19.076 -12.534 8.424 166 HA ASN 25 HA ASN 25 -20.166 -10.677 6.437 167 HB2 ASN 25 HB2 ASN 25 -20.436 -10.107 8.801 168 HB3 ASN 25 HB3 ASN 25 -18.685 -10.028 8.988 169 HD21 ASN 25 HD21 ASN 25 -18.603 -7.864 9.506 170 HD22 ASN 25 HD22 ASN 25 -19.000 -6.609 8.388 171 H GLU 26 H GLU 26 -18.961 -10.705 4.688 172 HA GLU 26 HA GLU 26 -16.096 -10.195 5.025 173 HB2 GLU 26 HB2 GLU 26 -16.456 -12.296 3.870 174 HB3 GLU 26 HB3 GLU 26 -17.487 -11.515 2.687 175 HG2 GLU 26 HG2 GLU 26 -15.576 -10.219 1.895 176 HG3 GLU 26 HG3 GLU 26 -14.559 -10.987 3.113 177 H VAL 27 H VAL 27 -15.298 -8.388 4.374 178 HA VAL 27 HA VAL 27 -16.793 -6.689 2.512 179 HB VAL 27 HB VAL 27 -17.453 -5.946 4.730 180 HG11 VAL 27 HG11 VAL 27 -15.796 -5.121 6.340 181 HG12 VAL 27 HG12 VAL 27 -14.511 -5.692 5.273 182 HG13 VAL 27 HG13 VAL 27 -15.621 -6.847 6.012 183 HG21 VAL 27 HG21 VAL 27 -16.710 -3.619 4.661 184 HG22 VAL 27 HG22 VAL 27 -17.126 -4.211 3.052 185 HG23 VAL 27 HG23 VAL 27 -15.434 -4.056 3.525 186 H HIS 28 H HIS 28 -15.574 -5.290 1.299 187 HA HIS 28 HA HIS 28 -12.774 -6.060 1.143 188 HB2 HIS 28 HB2 HIS 28 -14.580 -4.569 -0.744 189 HB3 HIS 28 HB3 HIS 28 -12.849 -4.714 -1.011 190 HD2 HIS 28 HD2 HIS 28 -13.443 -8.068 0.172 191 HE1 HIS 28 HE1 HIS 28 -14.745 -8.257 -3.854 192 HE2 HIS 28 HE2 HIS 28 -13.725 -9.511 -1.950 193 H PHE 29 H PHE 29 -11.363 -4.945 2.163 194 HA PHE 29 HA PHE 29 -11.649 -2.026 2.395 195 HB2 PHE 29 HB2 PHE 29 -10.109 -4.041 4.002 196 HB3 PHE 29 HB3 PHE 29 -9.697 -2.346 4.058 197 HD1 PHE 29 HD1 PHE 29 -12.148 -4.890 5.055 198 HD2 PHE 29 HD2 PHE 29 -11.170 -0.748 5.127 199 HE1 PHE 29 HE1 PHE 29 -13.791 -4.538 6.792 200 HE2 PHE 29 HE2 PHE 29 -12.840 -0.393 6.892 201 HZ PHE 29 HZ PHE 29 -14.155 -2.290 7.733 202 H ARG 30 H ARG 30 -10.068 -0.714 1.608 203 HA ARG 30 HA ARG 30 -8.031 -2.043 -0.034 204 HB2 ARG 30 HB2 ARG 30 -9.504 -0.402 -1.197 205 HB3 ARG 30 HB3 ARG 30 -8.903 0.852 -0.120 206 HG2 ARG 30 HG2 ARG 30 -7.653 1.078 -2.112 207 HG3 ARG 30 HG3 ARG 30 -6.595 0.296 -0.954 208 HD2 ARG 30 HD2 ARG 30 -6.350 -0.843 -3.044 209 HD3 ARG 30 HD3 ARG 30 -7.222 -1.897 -1.927 210 HE ARG 30 HE ARG 30 -9.123 -0.497 -3.387 211 HH11 ARG 30 HH11 ARG 30 -6.572 -2.795 -4.024 212 HH12 ARG 30 HH12 ARG 30 -7.404 -3.593 -5.309 213 HH21 ARG 30 HH21 ARG 30 -10.249 -1.518 -5.121 214 HH22 ARG 30 HH22 ARG 30 -9.506 -2.841 -5.951 215 H VAL 31 H VAL 31 -6.114 -2.170 0.804 216 HA VAL 31 HA VAL 31 -5.160 -0.059 2.610 217 HB VAL 31 HB VAL 31 -4.174 -1.709 4.123 218 HG11 VAL 31 HG11 VAL 31 -6.353 -0.792 4.687 219 HG12 VAL 31 HG12 VAL 31 -6.235 -2.470 5.218 220 HG13 VAL 31 HG13 VAL 31 -7.147 -2.066 3.763 221 HG21 VAL 31 HG21 VAL 31 -5.701 -3.762 2.534 222 HG22 VAL 31 HG22 VAL 31 -4.760 -4.050 4.001 223 HG23 VAL 31 HG23 VAL 31 -3.951 -3.544 2.520 224 H LYS 32 H LYS 32 -2.760 -0.569 3.137 225 HA LYS 32 HA LYS 32 -1.378 -0.721 0.575 226 HB2 LYS 32 HB2 LYS 32 -1.011 1.068 2.376 227 HB3 LYS 32 HB3 LYS 32 -0.219 -0.189 3.306 228 HG2 LYS 32 HG2 LYS 32 1.360 -0.495 1.395 229 HG3 LYS 32 HG3 LYS 32 0.644 0.941 0.660 230 HD2 LYS 32 HD2 LYS 32 1.903 0.859 3.403 231 HD3 LYS 32 HD3 LYS 32 2.717 1.418 1.944 232 HE2 LYS 32 HE2 LYS 32 1.048 3.190 1.690 233 HE3 LYS 32 HE3 LYS 32 0.215 2.619 3.137 234 HZ1 LYS 32 HZ1 LYS 32 1.706 4.536 3.528 235 HZ2 LYS 32 HZ2 LYS 32 3.027 3.569 3.111 236 HZ3 LYS 32 HZ3 LYS 32 2.089 3.186 4.463 237 H TYR 33 H TYR 33 0.496 -2.141 0.305 238 HA TYR 33 HA TYR 33 0.336 -4.764 1.185 239 HB2 TYR 33 HB2 TYR 33 2.847 -3.194 0.539 240 HB3 TYR 33 HB3 TYR 33 2.767 -4.936 0.645 241 HD1 TYR 33 HD1 TYR 33 2.023 -1.996 -1.373 242 HD2 TYR 33 HD2 TYR 33 1.748 -6.235 -1.161 243 HE1 TYR 33 HE1 TYR 33 1.615 -2.082 -3.790 244 HE2 TYR 33 HE2 TYR 33 1.328 -6.332 -3.585 245 HH TYR 33 HH TYR 33 1.880 -3.704 -5.634 246 H GLY 34 H GLY 34 2.045 -1.997 2.579 247 HA2 GLY 34 HA2 GLY 34 2.820 -3.579 4.925 248 HA3 GLY 34 HA3 GLY 34 3.506 -2.029 4.459 249 H THR 35 H THR 35 0.074 -2.750 4.539 250 HA THR 35 HA THR 35 -0.505 -0.483 6.074 251 HB THR 35 HB THR 35 -1.955 -2.491 4.653 252 HG1 THR 35 HG1 THR 35 -3.203 -0.187 5.619 253 HG21 THR 35 HG21 THR 35 -3.166 -1.769 7.329 254 HG22 THR 35 HG22 THR 35 -2.652 -3.376 6.823 255 HG23 THR 35 HG23 THR 35 -4.009 -2.590 6.014 256 H SER 36 H SER 36 -1.014 -0.212 8.181 257 HA SER 36 HA SER 36 -0.033 -2.173 10.039 258 HB2 SER 36 HB2 SER 36 -0.408 -0.465 11.712 259 HB3 SER 36 HB3 SER 36 0.319 0.286 10.290 260 HG SER 36 HG SER 36 -1.302 1.601 10.544 261 H MET 37 H MET 37 -1.333 -2.930 11.858 262 HA MET 37 HA MET 37 -3.797 -4.034 11.125 263 HB2 MET 37 HB2 MET 37 -4.029 -4.711 13.439 264 HB3 MET 37 HB3 MET 37 -2.359 -4.920 12.937 265 HG2 MET 37 HG2 MET 37 -1.741 -2.859 14.074 266 HG3 MET 37 HG3 MET 37 -3.417 -2.604 14.549 267 HE1 MET 37 HE1 MET 37 -2.553 -2.282 17.047 268 HE2 MET 37 HE2 MET 37 -0.891 -2.621 16.568 269 HE3 MET 37 HE3 MET 37 -1.611 -3.489 17.923 270 H ALA 38 H ALA 38 -2.992 -1.014 12.643 271 HA ALA 38 HA ALA 38 -5.477 -0.369 13.758 272 HB1 ALA 38 HB1 ALA 38 -3.340 1.504 12.751 273 HB2 ALA 38 HB2 ALA 38 -3.386 0.768 14.354 274 HB3 ALA 38 HB3 ALA 38 -4.641 1.910 13.870 275 H LYS 39 H LYS 39 -4.179 0.030 10.545 276 HA LYS 39 HA LYS 39 -5.968 1.935 9.556 277 HB2 LYS 39 HB2 LYS 39 -4.553 -0.325 8.129 278 HB3 LYS 39 HB3 LYS 39 -5.367 1.007 7.328 279 HG2 LYS 39 HG2 LYS 39 -3.076 1.353 9.240 280 HG3 LYS 39 HG3 LYS 39 -2.883 1.286 7.494 281 HD2 LYS 39 HD2 LYS 39 -4.405 3.237 7.309 282 HD3 LYS 39 HD3 LYS 39 -4.485 3.306 9.069 283 HE2 LYS 39 HE2 LYS 39 -2.066 3.668 9.158 284 HE3 LYS 39 HE3 LYS 39 -1.996 3.612 7.397 285 HZ1 LYS 39 HZ1 LYS 39 -3.438 5.548 7.319 286 HZ2 LYS 39 HZ2 LYS 39 -2.034 5.881 8.196 287 HZ3 LYS 39 HZ3 LYS 39 -3.491 5.605 9.007 288 H LEU 40 H LEU 40 -6.188 -1.585 9.695 289 HA LEU 40 HA LEU 40 -8.794 -1.496 8.423 290 HB2 LEU 40 HB2 LEU 40 -8.743 -3.983 8.608 291 HB3 LEU 40 HB3 LEU 40 -7.512 -3.271 7.598 292 HG LEU 40 HG LEU 40 -6.784 -3.935 10.427 293 HD11 LEU 40 HD11 LEU 40 -6.257 -6.226 9.764 294 HD12 LEU 40 HD12 LEU 40 -7.007 -5.950 8.191 295 HD13 LEU 40 HD13 LEU 40 -7.991 -5.917 9.656 296 HD21 LEU 40 HD21 LEU 40 -5.187 -2.816 8.974 297 HD22 LEU 40 HD22 LEU 40 -5.378 -4.082 7.766 298 HD23 LEU 40 HD23 LEU 40 -4.653 -4.461 9.329 299 H LYS 41 H LYS 41 -7.413 -2.467 11.528 300 HA LYS 41 HA LYS 41 -9.780 -3.504 12.627 301 HB2 LYS 41 HB2 LYS 41 -7.325 -2.353 13.909 302 HB3 LYS 41 HB3 LYS 41 -8.608 -3.159 14.797 303 HG2 LYS 41 HG2 LYS 41 -8.177 -5.215 13.725 304 HG3 LYS 41 HG3 LYS 41 -7.077 -4.454 12.576 305 HD2 LYS 41 HD2 LYS 41 -5.779 -5.556 14.229 306 HD3 LYS 41 HD3 LYS 41 -5.645 -3.809 14.452 307 HE2 LYS 41 HE2 LYS 41 -7.277 -3.896 16.273 308 HE3 LYS 41 HE3 LYS 41 -7.469 -5.632 16.039 309 HZ1 LYS 41 HZ1 LYS 41 -4.994 -4.242 16.903 310 HZ2 LYS 41 HZ2 LYS 41 -5.123 -5.905 16.632 311 HZ3 LYS 41 HZ3 LYS 41 -6.002 -5.182 17.880 312 H LYS 42 H LYS 42 -8.283 -0.347 13.013 313 HA LYS 42 HA LYS 42 -10.282 0.703 14.675 314 HB2 LYS 42 HB2 LYS 42 -8.122 1.832 14.332 315 HB3 LYS 42 HB3 LYS 42 -8.562 2.161 12.661 316 HG2 LYS 42 HG2 LYS 42 -10.443 3.539 13.449 317 HG3 LYS 42 HG3 LYS 42 -9.936 3.245 15.113 318 HD2 LYS 42 HD2 LYS 42 -9.093 5.383 14.445 319 HD3 LYS 42 HD3 LYS 42 -7.728 4.267 14.536 320 HE2 LYS 42 HE2 LYS 42 -7.730 4.001 12.136 321 HE3 LYS 42 HE3 LYS 42 -9.197 4.965 11.994 322 HZ1 LYS 42 HZ1 LYS 42 -6.570 5.955 12.963 323 HZ2 LYS 42 HZ2 LYS 42 -7.981 6.873 12.813 324 HZ3 LYS 42 HZ3 LYS 42 -7.237 6.245 11.433 325 H SER 43 H SER 43 -9.925 0.548 11.206 326 HA SER 43 HA SER 43 -12.082 2.255 10.555 327 HB2 SER 43 HB2 SER 43 -10.251 1.756 8.996 328 HB3 SER 43 HB3 SER 43 -10.738 0.069 8.934 329 HG SER 43 HG SER 43 -12.843 1.662 8.393 330 H TYR 44 H TYR 44 -11.789 -1.282 10.568 331 HA TYR 44 HA TYR 44 -14.473 -1.806 9.887 332 HB2 TYR 44 HB2 TYR 44 -12.633 -3.401 9.605 333 HB3 TYR 44 HB3 TYR 44 -12.482 -3.509 11.350 334 HD1 TYR 44 HD1 TYR 44 -14.477 -4.496 8.444 335 HD2 TYR 44 HD2 TYR 44 -14.101 -4.734 12.669 336 HE1 TYR 44 HE1 TYR 44 -16.120 -6.325 8.477 337 HE2 TYR 44 HE2 TYR 44 -15.737 -6.569 12.726 338 HH TYR 44 HH TYR 44 -17.456 -7.519 11.467 339 H ALA 45 H ALA 45 -12.802 -1.836 12.998 340 HA ALA 45 HA ALA 45 -14.985 -2.675 14.521 341 HB1 ALA 45 HB1 ALA 45 -12.707 -2.666 15.389 342 HB2 ALA 45 HB2 ALA 45 -13.788 -1.765 16.452 343 HB3 ALA 45 HB3 ALA 45 -12.699 -0.903 15.367 344 H ASP 46 H ASP 46 -14.013 0.389 13.327 345 HA ASP 46 HA ASP 46 -15.698 2.027 14.943 346 HB2 ASP 46 HB2 ASP 46 -13.756 2.900 13.714 347 HB3 ASP 46 HB3 ASP 46 -14.588 2.595 12.195 348 H ARG 47 H ARG 47 -16.086 0.680 11.672 349 HA ARG 47 HA ARG 47 -18.617 1.885 11.239 350 HB2 ARG 47 HB2 ARG 47 -18.775 0.589 9.236 351 HB3 ARG 47 HB3 ARG 47 -17.083 1.027 9.436 352 HG2 ARG 47 HG2 ARG 47 -16.486 -1.145 10.107 353 HG3 ARG 47 HG3 ARG 47 -18.172 -1.631 10.283 354 HD2 ARG 47 HD2 ARG 47 -16.908 -0.805 7.673 355 HD3 ARG 47 HD3 ARG 47 -17.071 -2.477 8.211 356 HE ARG 47 HE ARG 47 -19.599 -1.332 8.351 357 HH11 ARG 47 HH11 ARG 47 -17.254 -1.989 5.818 358 HH12 ARG 47 HH12 ARG 47 -18.453 -2.308 4.616 359 HH21 ARG 47 HH21 ARG 47 -21.182 -1.739 6.745 360 HH22 ARG 47 HH22 ARG 47 -20.692 -2.180 5.147 361 H THR 48 H THR 48 -17.642 -1.005 12.865 362 HA THR 48 HA THR 48 -20.388 -1.993 12.857 363 HB THR 48 HB THR 48 -18.692 -3.659 12.318 364 HG1 THR 48 HG1 THR 48 -20.144 -3.923 14.724 365 HG21 THR 48 HG21 THR 48 -16.793 -2.771 13.526 366 HG22 THR 48 HG22 THR 48 -17.096 -4.430 14.044 367 HG23 THR 48 HG23 THR 48 -17.591 -3.081 15.068 368 H GLY 49 H GLY 49 -18.595 0.056 14.715 369 HA2 GLY 49 HA2 GLY 49 -19.036 1.033 16.749 370 HA3 GLY 49 HA3 GLY 49 -20.535 0.115 16.790 371 H VAL 50 H VAL 50 -17.299 -1.204 16.585 372 HA VAL 50 HA VAL 50 -17.704 -2.448 19.218 373 HB VAL 50 HB VAL 50 -16.383 -3.630 16.771 374 HG11 VAL 50 HG11 VAL 50 -15.889 -5.581 18.088 375 HG12 VAL 50 HG12 VAL 50 -16.665 -4.876 19.503 376 HG13 VAL 50 HG13 VAL 50 -15.172 -4.178 18.875 377 HG21 VAL 50 HG21 VAL 50 -18.143 -5.297 16.899 378 HG22 VAL 50 HG22 VAL 50 -18.841 -3.682 16.780 379 HG23 VAL 50 HG23 VAL 50 -18.805 -4.514 18.334 380 H ALA 51 H ALA 51 -16.002 -2.557 20.614 381 HA ALA 51 HA ALA 51 -13.987 -0.677 20.655 382 HB1 ALA 51 HB1 ALA 51 -12.888 -2.190 22.313 383 HB2 ALA 51 HB2 ALA 51 -14.058 -3.443 21.892 384 HB3 ALA 51 HB3 ALA 51 -14.604 -1.941 22.632 385 H VAL 52 H VAL 52 -12.087 -0.457 19.650 386 HA VAL 52 HA VAL 52 -11.405 -2.021 17.418 387 HB VAL 52 HB VAL 52 -9.758 -0.014 18.973 388 HG11 VAL 52 HG11 VAL 52 -8.272 0.085 17.024 389 HG12 VAL 52 HG12 VAL 52 -9.163 -1.243 16.280 390 HG13 VAL 52 HG13 VAL 52 -8.257 -1.514 17.769 391 HG21 VAL 52 HG21 VAL 52 -10.293 1.480 17.097 392 HG22 VAL 52 HG22 VAL 52 -11.743 0.920 17.928 393 HG23 VAL 52 HG23 VAL 52 -11.285 0.211 16.383 394 H ASN 53 H ASN 53 -10.097 -1.935 20.684 395 HA ASN 53 HA ASN 53 -7.996 -3.779 20.231 396 HB2 ASN 53 HB2 ASN 53 -8.118 -2.194 22.164 397 HB3 ASN 53 HB3 ASN 53 -9.383 -3.204 22.854 398 HD21 ASN 53 HD21 ASN 53 -8.144 -3.634 24.673 399 HD22 ASN 53 HD22 ASN 53 -6.804 -4.727 24.631 400 H SER 54 H SER 54 -11.356 -4.144 21.033 401 HA SER 54 HA SER 54 -11.102 -6.930 21.711 402 HB2 SER 54 HB2 SER 54 -13.542 -5.202 21.347 403 HB3 SER 54 HB3 SER 54 -13.537 -6.848 21.973 404 HG SER 54 HG SER 54 -13.496 -5.074 23.571 405 H LEU 55 H LEU 55 -11.229 -5.240 18.855 406 HA LEU 55 HA LEU 55 -12.570 -7.371 17.368 407 HB2 LEU 55 HB2 LEU 55 -12.624 -4.692 17.012 408 HB3 LEU 55 HB3 LEU 55 -11.230 -5.067 16.028 409 HG LEU 55 HG LEU 55 -12.919 -5.050 14.469 410 HD11 LEU 55 HD11 LEU 55 -11.744 -7.177 14.304 411 HD12 LEU 55 HD12 LEU 55 -13.422 -7.320 13.781 412 HD13 LEU 55 HD13 LEU 55 -12.939 -7.925 15.365 413 HD21 LEU 55 HD21 LEU 55 -15.164 -5.973 14.817 414 HD22 LEU 55 HD22 LEU 55 -14.759 -4.706 15.973 415 HD23 LEU 55 HD23 LEU 55 -14.713 -6.396 16.467 416 H ARG 56 H ARG 56 -11.323 -8.995 16.534 417 HA ARG 56 HA ARG 56 -8.435 -8.459 16.360 418 HB2 ARG 56 HB2 ARG 56 -9.691 -11.118 17.063 419 HB3 ARG 56 HB3 ARG 56 -7.976 -10.801 16.898 420 HG2 ARG 56 HG2 ARG 56 -8.197 -10.757 19.169 421 HG3 ARG 56 HG3 ARG 56 -8.447 -9.049 18.803 422 HD2 ARG 56 HD2 ARG 56 -10.109 -9.914 20.392 423 HD3 ARG 56 HD3 ARG 56 -10.851 -9.357 18.891 424 HE ARG 56 HE ARG 56 -10.312 -12.100 18.665 425 HH11 ARG 56 HH11 ARG 56 -12.396 -9.990 20.526 426 HH12 ARG 56 HH12 ARG 56 -13.684 -11.148 20.626 427 HH21 ARG 56 HH21 ARG 56 -12.026 -13.617 18.779 428 HH22 ARG 56 HH22 ARG 56 -13.491 -13.190 19.599 429 H PHE 57 H PHE 57 -7.585 -8.678 14.465 430 HA PHE 57 HA PHE 57 -9.046 -10.213 12.442 431 HB2 PHE 57 HB2 PHE 57 -7.020 -7.992 12.215 432 HB3 PHE 57 HB3 PHE 57 -7.602 -8.949 10.853 433 HD1 PHE 57 HD1 PHE 57 -8.948 -6.973 13.681 434 HD2 PHE 57 HD2 PHE 57 -9.336 -8.144 9.645 435 HE1 PHE 57 HE1 PHE 57 -10.826 -5.407 13.415 436 HE2 PHE 57 HE2 PHE 57 -11.214 -6.601 9.363 437 HZ PHE 57 HZ PHE 57 -11.965 -5.239 11.247 438 H LEU 58 H LEU 58 -8.120 -11.956 11.586 439 HA LEU 58 HA LEU 58 -5.434 -12.554 12.574 440 HB2 LEU 58 HB2 LEU 58 -7.845 -14.277 12.393 441 HB3 LEU 58 HB3 LEU 58 -6.235 -14.954 12.421 442 HG LEU 58 HG LEU 58 -6.917 -15.088 14.587 443 HD11 LEU 58 HD11 LEU 58 -5.486 -12.518 14.544 444 HD12 LEU 58 HD12 LEU 58 -4.763 -14.127 14.376 445 HD13 LEU 58 HD13 LEU 58 -5.576 -13.674 15.878 446 HD21 LEU 58 HD21 LEU 58 -8.946 -13.667 14.333 447 HD22 LEU 58 HD22 LEU 58 -7.911 -12.254 14.547 448 HD23 LEU 58 HD23 LEU 58 -8.092 -13.420 15.858 449 H PHE 59 H PHE 59 -4.222 -13.854 11.472 450 HA PHE 59 HA PHE 59 -4.952 -14.287 8.659 451 HB2 PHE 59 HB2 PHE 59 -3.252 -12.560 8.700 452 HB3 PHE 59 HB3 PHE 59 -2.240 -13.534 9.766 453 HD1 PHE 59 HD1 PHE 59 -3.969 -13.894 6.494 454 HD2 PHE 59 HD2 PHE 59 -0.494 -14.648 8.804 455 HE1 PHE 59 HE1 PHE 59 -2.910 -14.944 4.541 456 HE2 PHE 59 HE2 PHE 59 0.579 -15.709 6.861 457 HZ PHE 59 HZ PHE 59 -0.631 -15.859 4.724 458 H ASP 60 H ASP 60 -5.386 -16.326 8.540 459 HA ASP 60 HA ASP 60 -5.402 -18.537 8.891 460 HB2 ASP 60 HB2 ASP 60 -2.433 -18.037 8.840 461 HB3 ASP 60 HB3 ASP 60 -3.116 -19.658 8.924 462 H GLY 61 H GLY 61 -5.562 -16.829 11.227 463 HA2 GLY 61 HA2 GLY 61 -6.260 -17.580 13.363 464 HA3 GLY 61 HA3 GLY 61 -5.160 -18.934 13.218 465 H ARG 62 H ARG 62 -3.291 -16.521 12.201 466 HA ARG 62 HA ARG 62 -2.411 -16.012 14.936 467 HB2 ARG 62 HB2 ARG 62 -0.173 -15.776 14.158 468 HB3 ARG 62 HB3 ARG 62 -0.851 -17.224 13.437 469 HG2 ARG 62 HG2 ARG 62 0.399 -16.273 11.733 470 HG3 ARG 62 HG3 ARG 62 -1.255 -15.782 11.367 471 HD2 ARG 62 HD2 ARG 62 -0.885 -13.594 12.052 472 HD3 ARG 62 HD3 ARG 62 0.548 -14.026 12.986 473 HE ARG 62 HE ARG 62 1.069 -14.622 10.328 474 HH11 ARG 62 HH11 ARG 62 0.333 -11.788 12.258 475 HH12 ARG 62 HH12 ARG 62 1.360 -10.747 11.318 476 HH21 ARG 62 HH21 ARG 62 2.431 -13.228 9.103 477 HH22 ARG 62 HH22 ARG 62 2.536 -11.553 9.555 478 H ARG 63 H ARG 63 -1.708 -13.920 15.541 479 HA ARG 63 HA ARG 63 -3.692 -12.074 14.772 480 HB2 ARG 63 HB2 ARG 63 -1.315 -11.761 16.603 481 HB3 ARG 63 HB3 ARG 63 -2.519 -10.509 16.361 482 HG2 ARG 63 HG2 ARG 63 -3.035 -11.650 18.392 483 HG3 ARG 63 HG3 ARG 63 -4.247 -12.111 17.198 484 HD2 ARG 63 HD2 ARG 63 -3.430 -14.010 18.562 485 HD3 ARG 63 HD3 ARG 63 -3.163 -14.224 16.833 486 HE ARG 63 HE ARG 63 -0.914 -13.060 18.188 487 HH11 ARG 63 HH11 ARG 63 -2.485 -16.116 17.427 488 HH12 ARG 63 HH12 ARG 63 -1.020 -17.027 17.517 489 HH21 ARG 63 HH21 ARG 63 1.009 -14.280 18.326 490 HH22 ARG 63 HH22 ARG 63 0.971 -15.986 18.031 491 H ILE 64 H ILE 64 -3.618 -10.179 13.702 492 HA ILE 64 HA ILE 64 -1.213 -9.579 12.127 493 HB ILE 64 HB ILE 64 -4.056 -8.545 11.857 494 HG12 ILE 64 HG12 ILE 64 -2.564 -10.470 10.067 495 HG13 ILE 64 HG13 ILE 64 -3.713 -10.969 11.305 496 HG21 ILE 64 HG21 ILE 64 -3.333 -7.578 9.736 497 HG22 ILE 64 HG22 ILE 64 -1.700 -8.180 10.004 498 HG23 ILE 64 HG23 ILE 64 -2.361 -6.929 11.062 499 HD11 ILE 64 HD11 ILE 64 -5.477 -9.752 10.159 500 HD12 ILE 64 HD12 ILE 64 -4.727 -10.947 9.101 501 HD13 ILE 64 HD13 ILE 64 -4.329 -9.237 8.925 502 H ASN 65 H ASN 65 0.042 -7.946 12.810 503 HA ASN 65 HA ASN 65 -1.179 -5.902 14.544 504 HB2 ASN 65 HB2 ASN 65 1.540 -7.189 14.808 505 HB3 ASN 65 HB3 ASN 65 1.086 -5.712 15.650 506 HD21 ASN 65 HD21 ASN 65 0.891 -9.116 15.588 507 HD22 ASN 65 HD22 ASN 65 -0.062 -9.316 17.018 508 H ASP 66 H ASP 66 0.347 -3.915 14.694 509 HA ASP 66 HA ASP 66 0.490 -2.829 12.057 510 HB2 ASP 66 HB2 ASP 66 1.326 -0.798 13.151 511 HB3 ASP 66 HB3 ASP 66 -0.075 -1.434 14.004 512 H ASP 67 H ASP 67 2.605 -4.670 13.870 513 HA ASP 67 HA ASP 67 5.067 -3.597 12.815 514 HB2 ASP 67 HB2 ASP 67 4.977 -4.587 15.067 515 HB3 ASP 67 HB3 ASP 67 4.538 -6.141 14.365 516 H ASP 68 H ASP 68 2.677 -5.703 11.728 517 HA ASP 68 HA ASP 68 4.218 -7.624 10.385 518 HB2 ASP 68 HB2 ASP 68 1.366 -6.809 10.257 519 HB3 ASP 68 HB3 ASP 68 2.020 -7.861 9.005 520 H THR 69 H THR 69 4.473 -8.014 8.233 521 HA THR 69 HA THR 69 4.631 -5.648 6.509 522 HB THR 69 HB THR 69 6.709 -6.650 5.562 523 HG1 THR 69 HG1 THR 69 6.936 -8.328 7.792 524 HG21 THR 69 HG21 THR 69 6.910 -4.940 7.297 525 HG22 THR 69 HG22 THR 69 8.189 -6.144 7.465 526 HG23 THR 69 HG23 THR 69 6.797 -6.179 8.547 527 HA PRO 70 HA PRO 70 2.437 -8.013 3.476 528 HB2 PRO 70 HB2 PRO 70 3.825 -7.496 1.174 529 HB3 PRO 70 HB3 PRO 70 2.710 -6.353 1.935 530 HG2 PRO 70 HG2 PRO 70 5.697 -6.498 2.140 531 HG3 PRO 70 HG3 PRO 70 4.665 -5.076 1.890 532 HD2 PRO 70 HD2 PRO 70 5.672 -5.641 4.293 533 HD3 PRO 70 HD3 PRO 70 4.026 -5.000 4.121 534 H LYS 71 H LYS 71 5.826 -8.609 3.943 535 HA LYS 71 HA LYS 71 5.897 -10.861 2.193 536 HB2 LYS 71 HB2 LYS 71 7.992 -9.984 2.183 537 HB3 LYS 71 HB3 LYS 71 7.823 -9.289 3.783 538 HG2 LYS 71 HG2 LYS 71 8.134 -12.234 3.524 539 HG3 LYS 71 HG3 LYS 71 9.545 -11.194 3.303 540 HD2 LYS 71 HD2 LYS 71 9.558 -10.517 5.481 541 HD3 LYS 71 HD3 LYS 71 7.808 -10.660 5.646 542 HE2 LYS 71 HE2 LYS 71 8.877 -12.329 6.983 543 HE3 LYS 71 HE3 LYS 71 8.020 -13.073 5.634 544 HZ1 LYS 71 HZ1 LYS 71 10.953 -12.579 5.747 545 HZ2 LYS 71 HZ2 LYS 71 10.130 -13.295 4.459 546 HZ3 LYS 71 HZ3 LYS 71 10.204 -14.079 5.951 547 H THR 72 H THR 72 5.199 -10.270 5.534 548 HA THR 72 HA THR 72 5.460 -13.101 6.148 549 HB THR 72 HB THR 72 6.419 -11.546 7.814 550 HG1 THR 72 HG1 THR 72 5.769 -12.795 9.424 551 HG21 THR 72 HG21 THR 72 3.566 -10.639 8.187 552 HG22 THR 72 HG22 THR 72 4.901 -9.670 7.564 553 HG23 THR 72 HG23 THR 72 4.912 -10.215 9.244 554 H LEU 73 H LEU 73 3.057 -10.533 5.919 555 HA LEU 73 HA LEU 73 0.868 -12.243 6.613 556 HB2 LEU 73 HB2 LEU 73 0.908 -9.604 5.139 557 HB3 LEU 73 HB3 LEU 73 -0.534 -10.434 5.686 558 HG LEU 73 HG LEU 73 1.614 -9.388 7.522 559 HD11 LEU 73 HD11 LEU 73 -1.088 -8.246 6.823 560 HD12 LEU 73 HD12 LEU 73 0.476 -7.561 6.386 561 HD13 LEU 73 HD13 LEU 73 -0.010 -7.640 8.078 562 HD21 LEU 73 HD21 LEU 73 -0.053 -9.791 9.265 563 HD22 LEU 73 HD22 LEU 73 0.372 -11.285 8.431 564 HD23 LEU 73 HD23 LEU 73 -1.151 -10.471 8.064 565 H GLU 74 H GLU 74 2.731 -11.599 3.801 566 HA GLU 74 HA GLU 74 2.695 -12.298 1.661 567 HB2 GLU 74 HB2 GLU 74 1.280 -14.516 3.071 568 HB3 GLU 74 HB3 GLU 74 1.836 -14.650 1.399 569 HG2 GLU 74 HG2 GLU 74 4.135 -14.301 2.182 570 HG3 GLU 74 HG3 GLU 74 3.543 -14.171 3.837 571 H MET 75 H MET 75 0.483 -10.591 2.522 572 HA MET 75 HA MET 75 -1.851 -11.514 1.119 573 HB2 MET 75 HB2 MET 75 -1.282 -8.937 2.571 574 HB3 MET 75 HB3 MET 75 -2.838 -9.376 1.873 575 HG2 MET 75 HG2 MET 75 -2.949 -11.312 3.324 576 HG3 MET 75 HG3 MET 75 -1.389 -10.903 4.007 577 HE1 MET 75 HE1 MET 75 -2.422 -11.077 6.417 578 HE2 MET 75 HE2 MET 75 -4.017 -11.434 5.755 579 HE3 MET 75 HE3 MET 75 -3.827 -10.160 6.959 580 H GLU 76 H GLU 76 -2.934 -10.234 -0.474 581 HA GLU 76 HA GLU 76 -1.414 -8.389 -2.039 582 HB2 GLU 76 HB2 GLU 76 -1.582 -9.722 -4.116 583 HB3 GLU 76 HB3 GLU 76 -0.525 -10.459 -2.925 584 HG2 GLU 76 HG2 GLU 76 -2.381 -11.973 -2.297 585 HG3 GLU 76 HG3 GLU 76 -3.331 -11.283 -3.614 586 H ASP 77 H ASP 77 -2.931 -8.295 -4.285 587 HA ASP 77 HA ASP 77 -5.132 -6.858 -3.391 588 HB2 ASP 77 HB2 ASP 77 -4.017 -6.569 -5.590 589 HB3 ASP 77 HB3 ASP 77 -4.820 -8.035 -6.145 590 H ASP 78 H ASP 78 -6.902 -7.423 -2.584 591 HA ASP 78 HA ASP 78 -8.875 -8.339 -2.091 592 HB2 ASP 78 HB2 ASP 78 -9.196 -8.343 -4.583 593 HB3 ASP 78 HB3 ASP 78 -8.651 -10.018 -4.583 594 H ASP 79 H ASP 79 -6.444 -9.403 -1.078 595 HA ASP 79 HA ASP 79 -6.721 -12.257 -0.941 596 HB2 ASP 79 HB2 ASP 79 -4.575 -10.896 -0.556 597 HB3 ASP 79 HB3 ASP 79 -5.212 -10.623 1.067 598 H VAL 80 H VAL 80 -6.726 -13.115 1.500 599 HA VAL 80 HA VAL 80 -9.278 -12.077 2.498 600 HB VAL 80 HB VAL 80 -9.740 -14.356 3.310 601 HG11 VAL 80 HG11 VAL 80 -10.597 -13.692 1.162 602 HG12 VAL 80 HG12 VAL 80 -10.063 -15.373 1.066 603 HG13 VAL 80 HG13 VAL 80 -9.063 -14.082 0.391 604 HG21 VAL 80 HG21 VAL 80 -7.499 -15.173 3.629 605 HG22 VAL 80 HG22 VAL 80 -7.149 -14.990 1.913 606 HG23 VAL 80 HG23 VAL 80 -8.312 -16.207 2.452 607 H ILE 81 H ILE 81 -9.626 -11.774 4.565 608 HA ILE 81 HA ILE 81 -7.537 -12.367 6.521 609 HB ILE 81 HB ILE 81 -8.861 -9.774 5.938 610 HG12 ILE 81 HG12 ILE 81 -6.167 -10.564 7.030 611 HG13 ILE 81 HG13 ILE 81 -6.541 -10.022 5.399 612 HG21 ILE 81 HG21 ILE 81 -8.398 -8.996 8.284 613 HG22 ILE 81 HG22 ILE 81 -8.428 -10.704 8.745 614 HG23 ILE 81 HG23 ILE 81 -9.848 -9.951 7.999 615 HD11 ILE 81 HD11 ILE 81 -7.216 -7.816 6.398 616 HD12 ILE 81 HD12 ILE 81 -5.506 -8.218 6.539 617 HD13 ILE 81 HD13 ILE 81 -6.570 -8.400 7.932 618 H GLU 82 H GLU 82 -8.243 -13.249 8.399 619 HA GLU 82 HA GLU 82 -11.106 -13.878 8.426 620 HB2 GLU 82 HB2 GLU 82 -8.817 -15.222 9.838 621 HB3 GLU 82 HB3 GLU 82 -10.490 -15.742 9.886 622 HG2 GLU 82 HG2 GLU 82 -10.445 -16.145 7.474 623 HG3 GLU 82 HG3 GLU 82 -8.762 -15.629 7.423 624 H VAL 83 H VAL 83 -12.346 -13.395 10.100 625 HA VAL 83 HA VAL 83 -11.091 -11.983 12.350 626 HB VAL 83 HB VAL 83 -13.711 -11.295 10.989 627 HG11 VAL 83 HG11 VAL 83 -12.465 -10.080 13.458 628 HG12 VAL 83 HG12 VAL 83 -13.928 -11.064 13.418 629 HG13 VAL 83 HG13 VAL 83 -13.904 -9.486 12.629 630 HG21 VAL 83 HG21 VAL 83 -11.674 -10.505 9.879 631 HG22 VAL 83 HG22 VAL 83 -11.207 -9.691 11.380 632 HG23 VAL 83 HG23 VAL 83 -12.665 -9.194 10.517 633 H TYR 84 H TYR 84 -11.640 -12.623 14.294 634 HA TYR 84 HA TYR 84 -13.743 -14.641 14.497 635 HB2 TYR 84 HB2 TYR 84 -11.450 -13.958 16.334 636 HB3 TYR 84 HB3 TYR 84 -12.748 -15.057 16.791 637 HD1 TYR 84 HD1 TYR 84 -9.518 -14.978 15.616 638 HD2 TYR 84 HD2 TYR 84 -13.217 -16.890 14.804 639 HE1 TYR 84 HE1 TYR 84 -8.315 -16.788 14.470 640 HE2 TYR 84 HE2 TYR 84 -12.033 -18.721 13.667 641 HH TYR 84 HH TYR 84 -9.887 -19.094 12.524 642 H GLN 85 H GLN 85 -15.260 -14.434 16.326 643 HA GLN 85 HA GLN 85 -16.329 -11.835 15.993 644 HB2 GLN 85 HB2 GLN 85 -17.338 -14.060 17.749 645 HB3 GLN 85 HB3 GLN 85 -18.232 -12.609 17.311 646 HG2 GLN 85 HG2 GLN 85 -17.351 -14.850 15.510 647 HG3 GLN 85 HG3 GLN 85 -18.997 -14.354 15.896 648 HE21 GLN 85 HE21 GLN 85 -19.826 -12.464 14.930 649 HE22 GLN 85 HE22 GLN 85 -19.090 -11.757 13.539 650 H GLU 86 H GLU 86 -16.433 -10.181 17.152 651 HA GLU 86 HA GLU 86 -14.399 -9.672 19.008 652 HB2 GLU 86 HB2 GLU 86 -15.413 -7.425 19.133 653 HB3 GLU 86 HB3 GLU 86 -15.098 -7.987 17.499 654 HG2 GLU 86 HG2 GLU 86 -17.801 -8.357 18.702 655 HG3 GLU 86 HG3 GLU 86 -17.344 -6.786 18.061 656 H GLN 87 H GLN 87 -14.648 -8.587 21.057 657 HA GLN 87 HA GLN 87 -15.983 -10.236 22.922 658 HB2 GLN 87 HB2 GLN 87 -13.887 -9.066 23.402 659 HB3 GLN 87 HB3 GLN 87 -14.713 -7.523 23.265 660 HG2 GLN 87 HG2 GLN 87 -14.355 -8.082 25.562 661 HG3 GLN 87 HG3 GLN 87 -16.078 -8.082 25.192 662 HE21 GLN 87 HE21 GLN 87 -13.310 -10.045 25.925 663 HE22 GLN 87 HE22 GLN 87 -14.185 -11.480 26.333 664 H LEU 88 H LEU 88 -16.548 -6.899 21.876 665 HA LEU 88 HA LEU 88 -18.815 -6.495 23.521 666 HB2 LEU 88 HB2 LEU 88 -17.442 -4.653 22.644 667 HB3 LEU 88 HB3 LEU 88 -17.977 -5.032 21.021 668 HG LEU 88 HG LEU 88 -20.293 -4.463 21.671 669 HD11 LEU 88 HD11 LEU 88 -20.666 -3.264 23.780 670 HD12 LEU 88 HD12 LEU 88 -19.013 -3.632 24.268 671 HD13 LEU 88 HD13 LEU 88 -20.175 -4.937 24.038 672 HD21 LEU 88 HD21 LEU 88 -18.201 -2.341 22.121 673 HD22 LEU 88 HD22 LEU 88 -19.918 -2.021 21.877 674 HD23 LEU 88 HD23 LEU 88 -18.974 -2.776 20.596 675 H GLY 89 H GLY 89 -18.375 -7.515 20.199 676 HA2 GLY 89 HA2 GLY 89 -19.923 -9.020 19.155 677 HA3 GLY 89 HA3 GLY 89 -21.205 -8.313 20.131 678 H GLY 90 H GLY 90 -20.521 -8.616 17.121 679 HA2 GLY 90 HA2 GLY 90 -20.816 -5.797 16.358 680 HA3 GLY 90 HA3 GLY 90 -20.281 -7.093 15.298 Start of MODEL 17 1 H MET 1 H MET 1 3.871 5.111 11.539 2 HA MET 1 HA MET 1 4.468 5.269 9.222 3 HB2 MET 1 HB2 MET 1 2.236 4.450 9.872 4 HB3 MET 1 HB3 MET 1 1.620 6.092 9.837 5 HG2 MET 1 HG2 MET 1 1.960 6.219 7.459 6 HG3 MET 1 HG3 MET 1 2.733 4.636 7.452 7 HE1 MET 1 HE1 MET 1 -1.760 5.425 8.154 8 HE2 MET 1 HE2 MET 1 -0.564 6.651 7.734 9 HE3 MET 1 HE3 MET 1 -0.544 5.912 9.334 10 H ALA 2 H ALA 2 5.138 6.555 7.607 11 HA ALA 2 HA ALA 2 4.232 9.330 7.503 12 HB1 ALA 2 HB1 ALA 2 6.249 9.363 8.888 13 HB2 ALA 2 HB2 ALA 2 6.521 10.170 7.344 14 HB3 ALA 2 HB3 ALA 2 7.143 8.542 7.609 15 H ASP 3 H ASP 3 5.259 10.419 5.516 16 HA ASP 3 HA ASP 3 4.517 8.959 3.207 17 HB2 ASP 3 HB2 ASP 3 6.148 11.499 3.437 18 HB3 ASP 3 HB3 ASP 3 5.410 10.893 1.961 19 H ASP 4 H ASP 4 5.649 7.515 2.118 20 HA ASP 4 HA ASP 4 8.337 6.855 2.795 21 HB2 ASP 4 HB2 ASP 4 6.678 5.969 0.428 22 HB3 ASP 4 HB3 ASP 4 8.198 5.247 0.935 23 H ALA 5 H ALA 5 6.778 8.603 0.197 24 HA ALA 5 HA ALA 5 7.507 10.012 -1.403 25 HB1 ALA 5 HB1 ALA 5 9.061 10.985 0.234 26 HB2 ALA 5 HB2 ALA 5 9.770 10.947 -1.380 27 HB3 ALA 5 HB3 ALA 5 10.254 9.753 -0.175 28 H ALA 6 H ALA 6 9.848 7.509 -0.858 29 HA ALA 6 HA ALA 6 9.886 6.938 -3.736 30 HB1 ALA 6 HB1 ALA 6 12.079 7.362 -2.730 31 HB2 ALA 6 HB2 ALA 6 11.953 5.698 -3.299 32 HB3 ALA 6 HB3 ALA 6 11.806 6.054 -1.577 33 H GLN 7 H GLN 7 8.467 5.413 -4.290 34 HA GLN 7 HA GLN 7 8.218 3.041 -2.578 35 HB2 GLN 7 HB2 GLN 7 5.955 4.539 -3.890 36 HB3 GLN 7 HB3 GLN 7 5.798 2.964 -3.131 37 HG2 GLN 7 HG2 GLN 7 6.444 3.949 -0.988 38 HG3 GLN 7 HG3 GLN 7 6.571 5.528 -1.765 39 HE21 GLN 7 HE21 GLN 7 4.973 6.447 -0.520 40 HE22 GLN 7 HE22 GLN 7 3.308 6.036 -0.697 41 H ALA 8 H ALA 8 7.871 1.114 -3.660 42 HA ALA 8 HA ALA 8 8.859 0.932 -6.302 43 HB1 ALA 8 HB1 ALA 8 9.081 -0.898 -4.702 44 HB2 ALA 8 HB2 ALA 8 8.234 -1.434 -6.154 45 HB3 ALA 8 HB3 ALA 8 7.330 -1.099 -4.678 46 H GLY 9 H GLY 9 5.597 0.636 -4.941 47 HA2 GLY 9 HA2 GLY 9 4.323 0.321 -7.454 48 HA3 GLY 9 HA3 GLY 9 3.534 0.744 -5.938 49 H ASP 10 H ASP 10 4.827 3.044 -5.308 50 HA ASP 10 HA ASP 10 4.944 5.267 -5.589 51 HB2 ASP 10 HB2 ASP 10 6.424 4.736 -7.437 52 HB3 ASP 10 HB3 ASP 10 5.047 4.654 -8.534 53 H ASN 11 H ASN 11 2.709 4.017 -8.097 54 HA ASN 11 HA ASN 11 1.059 6.336 -8.130 55 HB2 ASN 11 HB2 ASN 11 0.579 3.520 -9.070 56 HB3 ASN 11 HB3 ASN 11 -0.621 4.795 -9.235 57 HD21 ASN 11 HD21 ASN 11 0.656 3.278 -11.289 58 HD22 ASN 11 HD22 ASN 11 1.484 4.404 -12.302 59 H ALA 12 H ALA 12 0.994 3.395 -6.372 60 HA ALA 12 HA ALA 12 -1.392 4.334 -5.013 61 HB1 ALA 12 HB1 ALA 12 -1.807 2.043 -4.524 62 HB2 ALA 12 HB2 ALA 12 -0.318 1.602 -5.396 63 HB3 ALA 12 HB3 ALA 12 -1.670 2.331 -6.270 64 H GLU 13 H GLU 13 -1.147 4.806 -3.023 65 HA GLU 13 HA GLU 13 1.334 3.998 -1.733 66 HB2 GLU 13 HB2 GLU 13 -0.249 6.513 -1.379 67 HB3 GLU 13 HB3 GLU 13 1.267 6.138 -0.548 68 HG2 GLU 13 HG2 GLU 13 2.438 6.105 -2.657 69 HG3 GLU 13 HG3 GLU 13 0.927 6.361 -3.524 70 H TYR 14 H TYR 14 -1.606 3.345 -1.848 71 HA TYR 14 HA TYR 14 -1.737 2.335 0.869 72 HB2 TYR 14 HB2 TYR 14 -4.079 3.773 -0.431 73 HB3 TYR 14 HB3 TYR 14 -4.120 2.880 1.081 74 HD1 TYR 14 HD1 TYR 14 -2.939 5.967 -0.523 75 HD2 TYR 14 HD2 TYR 14 -3.174 3.766 3.109 76 HE1 TYR 14 HE1 TYR 14 -2.307 7.984 0.738 77 HE2 TYR 14 HE2 TYR 14 -2.541 5.774 4.377 78 HH TYR 14 HH TYR 14 -1.321 7.920 3.958 79 H ILE 15 H ILE 15 -3.298 0.573 1.039 80 HA ILE 15 HA ILE 15 -3.653 -0.796 -1.543 81 HB ILE 15 HB ILE 15 -2.955 -2.868 -0.537 82 HG12 ILE 15 HG12 ILE 15 -2.763 -1.338 2.052 83 HG13 ILE 15 HG13 ILE 15 -4.005 -2.514 1.603 84 HG21 ILE 15 HG21 ILE 15 -1.030 -0.719 0.273 85 HG22 ILE 15 HG22 ILE 15 -1.144 -1.470 -1.318 86 HG23 ILE 15 HG23 ILE 15 -0.651 -2.430 0.078 87 HD11 ILE 15 HD11 ILE 15 -2.359 -4.268 1.544 88 HD12 ILE 15 HD12 ILE 15 -2.339 -3.451 3.113 89 HD13 ILE 15 HD13 ILE 15 -1.077 -3.114 1.926 90 H LYS 16 H LYS 16 -5.346 -2.430 -1.423 91 HA LYS 16 HA LYS 16 -7.459 -1.650 0.434 92 HB2 LYS 16 HB2 LYS 16 -7.480 -3.362 -2.009 93 HB3 LYS 16 HB3 LYS 16 -8.900 -3.102 -1.003 94 HG2 LYS 16 HG2 LYS 16 -8.654 -0.663 -1.470 95 HG3 LYS 16 HG3 LYS 16 -7.395 -1.087 -2.636 96 HD2 LYS 16 HD2 LYS 16 -10.227 -2.125 -2.732 97 HD3 LYS 16 HD3 LYS 16 -9.640 -0.750 -3.666 98 HE2 LYS 16 HE2 LYS 16 -7.957 -2.234 -4.710 99 HE3 LYS 16 HE3 LYS 16 -8.651 -3.582 -3.811 100 HZ1 LYS 16 HZ1 LYS 16 -10.753 -3.208 -4.959 101 HZ2 LYS 16 HZ2 LYS 16 -9.505 -3.527 -6.053 102 HZ3 LYS 16 HZ3 LYS 16 -10.060 -1.942 -5.839 103 H ILE 17 H ILE 17 -8.425 -3.042 1.766 104 HA ILE 17 HA ILE 17 -7.367 -5.775 1.911 105 HB ILE 17 HB ILE 17 -7.996 -3.937 4.223 106 HG12 ILE 17 HG12 ILE 17 -5.774 -3.626 3.246 107 HG13 ILE 17 HG13 ILE 17 -5.667 -4.305 4.867 108 HG21 ILE 17 HG21 ILE 17 -7.616 -5.744 5.725 109 HG22 ILE 17 HG22 ILE 17 -7.196 -6.832 4.402 110 HG23 ILE 17 HG23 ILE 17 -8.851 -6.247 4.571 111 HD11 ILE 17 HD11 ILE 17 -5.292 -6.527 3.873 112 HD12 ILE 17 HD12 ILE 17 -4.062 -5.355 3.403 113 HD13 ILE 17 HD13 ILE 17 -5.336 -5.796 2.268 114 H LYS 18 H LYS 18 -8.887 -7.289 1.784 115 HA LYS 18 HA LYS 18 -11.651 -6.373 2.058 116 HB2 LYS 18 HB2 LYS 18 -11.000 -9.174 1.257 117 HB3 LYS 18 HB3 LYS 18 -12.322 -8.153 0.758 118 HG2 LYS 18 HG2 LYS 18 -10.638 -6.810 -0.632 119 HG3 LYS 18 HG3 LYS 18 -9.494 -8.093 -0.255 120 HD2 LYS 18 HD2 LYS 18 -12.155 -8.512 -1.608 121 HD3 LYS 18 HD3 LYS 18 -10.597 -8.422 -2.430 122 HE2 LYS 18 HE2 LYS 18 -9.827 -10.365 -1.137 123 HE3 LYS 18 HE3 LYS 18 -11.410 -10.465 -0.365 124 HZ1 LYS 18 HZ1 LYS 18 -12.380 -10.820 -2.576 125 HZ2 LYS 18 HZ2 LYS 18 -11.276 -12.022 -2.159 126 HZ3 LYS 18 HZ3 LYS 18 -10.829 -10.814 -3.253 127 H VAL 19 H VAL 19 -12.218 -6.412 4.102 128 HA VAL 19 HA VAL 19 -11.213 -8.382 5.944 129 HB VAL 19 HB VAL 19 -13.311 -6.229 6.253 130 HG11 VAL 19 HG11 VAL 19 -13.648 -8.007 7.861 131 HG12 VAL 19 HG12 VAL 19 -13.044 -6.553 8.658 132 HG13 VAL 19 HG13 VAL 19 -11.955 -7.906 8.348 133 HG21 VAL 19 HG21 VAL 19 -10.404 -6.273 7.050 134 HG22 VAL 19 HG22 VAL 19 -11.555 -5.011 7.491 135 HG23 VAL 19 HG23 VAL 19 -11.139 -5.272 5.796 136 H VAL 20 H VAL 20 -12.101 -10.359 6.034 137 HA VAL 20 HA VAL 20 -14.922 -10.592 5.250 138 HB VAL 20 HB VAL 20 -12.782 -12.720 5.186 139 HG11 VAL 20 HG11 VAL 20 -14.957 -13.676 5.576 140 HG12 VAL 20 HG12 VAL 20 -14.457 -14.008 3.915 141 HG13 VAL 20 HG13 VAL 20 -15.641 -12.744 4.243 142 HG21 VAL 20 HG21 VAL 20 -12.954 -12.530 2.745 143 HG22 VAL 20 HG22 VAL 20 -12.361 -11.046 3.491 144 HG23 VAL 20 HG23 VAL 20 -14.033 -11.151 2.939 145 H GLY 21 H GLY 21 -16.226 -10.890 6.864 146 HA2 GLY 21 HA2 GLY 21 -15.217 -11.974 9.374 147 HA3 GLY 21 HA3 GLY 21 -16.817 -11.299 9.107 148 H GLN 22 H GLN 22 -16.659 -13.587 10.514 149 HA GLN 22 HA GLN 22 -16.720 -15.937 8.953 150 HB2 GLN 22 HB2 GLN 22 -17.674 -15.347 11.735 151 HB3 GLN 22 HB3 GLN 22 -17.788 -16.945 11.014 152 HG2 GLN 22 HG2 GLN 22 -15.380 -17.014 10.757 153 HG3 GLN 22 HG3 GLN 22 -15.248 -15.387 11.418 154 HE21 GLN 22 HE21 GLN 22 -13.932 -16.092 13.058 155 HE22 GLN 22 HE22 GLN 22 -14.524 -16.996 14.412 156 H ASP 23 H ASP 23 -19.045 -13.609 9.703 157 HA ASP 23 HA ASP 23 -21.335 -15.189 9.007 158 HB2 ASP 23 HB2 ASP 23 -20.977 -12.203 9.312 159 HB3 ASP 23 HB3 ASP 23 -22.524 -13.010 9.082 160 H SER 24 H SER 24 -18.885 -14.486 7.204 161 HA SER 24 HA SER 24 -18.481 -14.354 4.974 162 HB2 SER 24 HB2 SER 24 -21.492 -14.484 4.633 163 HB3 SER 24 HB3 SER 24 -20.289 -14.758 3.373 164 HG SER 24 HG SER 24 -20.326 -16.294 5.749 165 H ASN 25 H ASN 25 -18.970 -12.103 6.716 166 HA ASN 25 HA ASN 25 -20.043 -10.104 4.868 167 HB2 ASN 25 HB2 ASN 25 -20.888 -9.962 7.130 168 HB3 ASN 25 HB3 ASN 25 -19.254 -9.834 7.775 169 HD21 ASN 25 HD21 ASN 25 -21.723 -8.217 5.890 170 HD22 ASN 25 HD22 ASN 25 -21.098 -6.619 6.089 171 H GLU 26 H GLU 26 -18.629 -9.546 3.439 172 HA GLU 26 HA GLU 26 -15.898 -8.953 4.289 173 HB2 GLU 26 HB2 GLU 26 -16.004 -10.564 2.480 174 HB3 GLU 26 HB3 GLU 26 -16.980 -9.464 1.513 175 HG2 GLU 26 HG2 GLU 26 -15.084 -7.901 1.438 176 HG3 GLU 26 HG3 GLU 26 -14.126 -9.036 2.384 177 H VAL 27 H VAL 27 -15.076 -7.007 4.146 178 HA VAL 27 HA VAL 27 -16.531 -4.906 2.736 179 HB VAL 27 HB VAL 27 -17.280 -4.741 5.067 180 HG11 VAL 27 HG11 VAL 27 -14.367 -4.457 5.743 181 HG12 VAL 27 HG12 VAL 27 -15.403 -5.830 6.143 182 HG13 VAL 27 HG13 VAL 27 -15.710 -4.249 6.868 183 HG21 VAL 27 HG21 VAL 27 -17.038 -2.668 3.831 184 HG22 VAL 27 HG22 VAL 27 -15.342 -2.561 4.301 185 HG23 VAL 27 HG23 VAL 27 -16.606 -2.414 5.523 186 H HIS 28 H HIS 28 -15.262 -3.353 1.877 187 HA HIS 28 HA HIS 28 -12.435 -4.071 1.788 188 HB2 HIS 28 HB2 HIS 28 -14.129 -2.398 -0.058 189 HB3 HIS 28 HB3 HIS 28 -12.406 -2.688 -0.282 190 HD2 HIS 28 HD2 HIS 28 -13.000 -6.029 0.572 191 HE1 HIS 28 HE1 HIS 28 -14.817 -5.903 -3.249 192 HE2 HIS 28 HE2 HIS 28 -14.139 -7.364 -1.312 193 H PHE 29 H PHE 29 -11.207 -3.003 3.101 194 HA PHE 29 HA PHE 29 -11.698 -0.130 3.490 195 HB2 PHE 29 HB2 PHE 29 -10.366 -2.165 5.247 196 HB3 PHE 29 HB3 PHE 29 -10.109 -0.446 5.472 197 HD1 PHE 29 HD1 PHE 29 -12.111 -3.211 6.372 198 HD2 PHE 29 HD2 PHE 29 -12.272 0.988 5.692 199 HE1 PHE 29 HE1 PHE 29 -14.146 -3.066 7.725 200 HE2 PHE 29 HE2 PHE 29 -14.315 1.130 7.049 201 HZ PHE 29 HZ PHE 29 -15.250 -0.898 8.068 202 H ARG 30 H ARG 30 -10.049 1.315 3.252 203 HA ARG 30 HA ARG 30 -7.788 0.302 1.701 204 HB2 ARG 30 HB2 ARG 30 -9.257 2.196 0.820 205 HB3 ARG 30 HB3 ARG 30 -8.560 3.192 2.091 206 HG2 ARG 30 HG2 ARG 30 -7.214 3.694 0.282 207 HG3 ARG 30 HG3 ARG 30 -6.290 2.433 1.090 208 HD2 ARG 30 HD2 ARG 30 -7.329 0.766 -0.418 209 HD3 ARG 30 HD3 ARG 30 -8.104 2.086 -1.287 210 HE ARG 30 HE ARG 30 -5.225 2.233 -1.097 211 HH11 ARG 30 HH11 ARG 30 -8.002 1.338 -3.035 212 HH12 ARG 30 HH12 ARG 30 -7.082 1.093 -4.473 213 HH21 ARG 30 HH21 ARG 30 -4.001 1.887 -3.029 214 HH22 ARG 30 HH22 ARG 30 -4.825 1.423 -4.476 215 H VAL 31 H VAL 31 -5.987 0.046 2.724 216 HA VAL 31 HA VAL 31 -5.279 1.786 4.988 217 HB VAL 31 HB VAL 31 -4.361 -0.093 6.223 218 HG11 VAL 31 HG11 VAL 31 -6.631 0.545 6.757 219 HG12 VAL 31 HG12 VAL 31 -6.462 -1.206 6.899 220 HG13 VAL 31 HG13 VAL 31 -7.257 -0.506 5.488 221 HG21 VAL 31 HG21 VAL 31 -5.526 -1.818 4.053 222 HG22 VAL 31 HG22 VAL 31 -4.825 -2.407 5.561 223 HG23 VAL 31 HG23 VAL 31 -3.813 -1.567 4.386 224 H LYS 32 H LYS 32 -2.890 1.482 5.453 225 HA LYS 32 HA LYS 32 -1.530 1.508 2.882 226 HB2 LYS 32 HB2 LYS 32 -1.320 3.265 4.813 227 HB3 LYS 32 HB3 LYS 32 -0.222 2.090 5.510 228 HG2 LYS 32 HG2 LYS 32 1.192 2.178 3.550 229 HG3 LYS 32 HG3 LYS 32 0.078 3.302 2.773 230 HD2 LYS 32 HD2 LYS 32 0.469 4.865 4.695 231 HD3 LYS 32 HD3 LYS 32 1.738 3.763 5.236 232 HE2 LYS 32 HE2 LYS 32 1.640 5.152 2.562 233 HE3 LYS 32 HE3 LYS 32 2.644 5.632 3.932 234 HZ1 LYS 32 HZ1 LYS 32 3.975 4.352 2.459 235 HZ2 LYS 32 HZ2 LYS 32 2.826 3.120 2.373 236 HZ3 LYS 32 HZ3 LYS 32 3.660 3.396 3.813 237 H TYR 33 H TYR 33 0.566 0.344 2.705 238 HA TYR 33 HA TYR 33 0.511 -2.354 3.332 239 HB2 TYR 33 HB2 TYR 33 2.967 -0.606 3.066 240 HB3 TYR 33 HB3 TYR 33 2.959 -2.353 2.972 241 HD1 TYR 33 HD1 TYR 33 2.071 0.758 1.240 242 HD2 TYR 33 HD2 TYR 33 2.280 -3.480 0.947 243 HE1 TYR 33 HE1 TYR 33 1.829 0.924 -1.198 244 HE2 TYR 33 HE2 TYR 33 2.031 -3.327 -1.495 245 HH TYR 33 HH TYR 33 2.346 -0.382 -3.178 246 H GLY 34 H GLY 34 1.851 0.367 5.158 247 HA2 GLY 34 HA2 GLY 34 2.818 -1.406 7.254 248 HA3 GLY 34 HA3 GLY 34 3.207 0.295 7.077 249 H THR 35 H THR 35 -0.116 -0.584 6.760 250 HA THR 35 HA THR 35 -0.807 1.019 8.934 251 HB THR 35 HB THR 35 -2.252 -0.654 6.969 252 HG1 THR 35 HG1 THR 35 -1.880 1.972 7.570 253 HG21 THR 35 HG21 THR 35 -3.382 -1.341 8.948 254 HG22 THR 35 HG22 THR 35 -4.414 -0.160 8.131 255 HG23 THR 35 HG23 THR 35 -3.463 0.313 9.541 256 H SER 36 H SER 36 -1.453 0.530 10.973 257 HA SER 36 HA SER 36 -0.595 -2.041 12.002 258 HB2 SER 36 HB2 SER 36 -1.594 0.434 13.431 259 HB3 SER 36 HB3 SER 36 -0.874 -0.982 14.196 260 HG SER 36 HG SER 36 0.822 -0.276 12.358 261 H MET 37 H MET 37 -1.926 -3.426 13.305 262 HA MET 37 HA MET 37 -4.439 -4.004 12.314 263 HB2 MET 37 HB2 MET 37 -4.822 -5.428 14.192 264 HB3 MET 37 HB3 MET 37 -3.106 -5.479 13.824 265 HG2 MET 37 HG2 MET 37 -2.614 -4.036 15.673 266 HG3 MET 37 HG3 MET 37 -4.328 -3.797 16.001 267 HE1 MET 37 HE1 MET 37 -3.311 -5.938 19.098 268 HE2 MET 37 HE2 MET 37 -4.055 -4.444 18.527 269 HE3 MET 37 HE3 MET 37 -2.322 -4.697 18.334 270 H ALA 38 H ALA 38 -3.696 -1.655 14.792 271 HA ALA 38 HA ALA 38 -6.257 -1.366 15.883 272 HB1 ALA 38 HB1 ALA 38 -4.239 -0.482 16.926 273 HB2 ALA 38 HB2 ALA 38 -5.511 0.740 16.770 274 HB3 ALA 38 HB3 ALA 38 -4.136 0.747 15.662 275 H LYS 39 H LYS 39 -4.840 0.058 12.992 276 HA LYS 39 HA LYS 39 -6.658 2.165 12.567 277 HB2 LYS 39 HB2 LYS 39 -5.187 0.453 10.526 278 HB3 LYS 39 HB3 LYS 39 -6.044 1.928 10.162 279 HG2 LYS 39 HG2 LYS 39 -3.728 1.834 12.075 280 HG3 LYS 39 HG3 LYS 39 -3.553 2.137 10.348 281 HD2 LYS 39 HD2 LYS 39 -5.093 4.062 10.586 282 HD3 LYS 39 HD3 LYS 39 -5.105 3.785 12.330 283 HE2 LYS 39 HE2 LYS 39 -2.702 4.154 12.422 284 HE3 LYS 39 HE3 LYS 39 -2.651 4.365 10.674 285 HZ1 LYS 39 HZ1 LYS 39 -4.158 6.105 12.542 286 HZ2 LYS 39 HZ2 LYS 39 -3.982 6.331 10.873 287 HZ3 LYS 39 HZ3 LYS 39 -2.642 6.468 11.893 288 H LEU 40 H LEU 40 -6.757 -1.234 11.696 289 HA LEU 40 HA LEU 40 -9.262 -0.907 10.283 290 HB2 LEU 40 HB2 LEU 40 -9.036 -3.463 10.021 291 HB3 LEU 40 HB3 LEU 40 -7.990 -2.403 9.108 292 HG LEU 40 HG LEU 40 -6.976 -3.534 11.713 293 HD11 LEU 40 HD11 LEU 40 -7.944 -5.430 10.480 294 HD12 LEU 40 HD12 LEU 40 -6.186 -5.503 10.543 295 HD13 LEU 40 HD13 LEU 40 -6.994 -4.983 9.064 296 HD21 LEU 40 HD21 LEU 40 -5.722 -2.847 9.045 297 HD22 LEU 40 HD22 LEU 40 -4.856 -3.448 10.456 298 HD23 LEU 40 HD23 LEU 40 -5.637 -1.869 10.508 299 H LYS 41 H LYS 41 -8.117 -2.505 13.208 300 HA LYS 41 HA LYS 41 -10.522 -3.827 13.858 301 HB2 LYS 41 HB2 LYS 41 -8.230 -2.853 15.531 302 HB3 LYS 41 HB3 LYS 41 -9.546 -3.828 16.166 303 HG2 LYS 41 HG2 LYS 41 -8.949 -5.664 14.809 304 HG3 LYS 41 HG3 LYS 41 -7.815 -4.688 13.872 305 HD2 LYS 41 HD2 LYS 41 -6.576 -6.017 15.397 306 HD3 LYS 41 HD3 LYS 41 -6.530 -4.331 15.922 307 HE2 LYS 41 HE2 LYS 41 -8.259 -4.771 17.589 308 HE3 LYS 41 HE3 LYS 41 -8.396 -6.438 17.040 309 HZ1 LYS 41 HZ1 LYS 41 -7.084 -6.393 19.004 310 HZ2 LYS 41 HZ2 LYS 41 -6.087 -5.180 18.408 311 HZ3 LYS 41 HZ3 LYS 41 -6.036 -6.729 17.721 312 H LYS 42 H LYS 42 -9.233 -0.739 14.951 313 HA LYS 42 HA LYS 42 -11.467 -0.140 16.550 314 HB2 LYS 42 HB2 LYS 42 -9.321 1.062 16.755 315 HB3 LYS 42 HB3 LYS 42 -9.587 1.794 15.178 316 HG2 LYS 42 HG2 LYS 42 -11.471 3.019 15.985 317 HG3 LYS 42 HG3 LYS 42 -11.436 2.157 17.523 318 HD2 LYS 42 HD2 LYS 42 -10.471 4.330 17.844 319 HD3 LYS 42 HD3 LYS 42 -9.188 3.128 17.947 320 HE2 LYS 42 HE2 LYS 42 -8.504 3.621 15.672 321 HE3 LYS 42 HE3 LYS 42 -9.835 4.766 15.500 322 HZ1 LYS 42 HZ1 LYS 42 -7.593 5.009 17.427 323 HZ2 LYS 42 HZ2 LYS 42 -8.857 6.109 17.247 324 HZ3 LYS 42 HZ3 LYS 42 -7.746 5.888 15.993 325 H SER 43 H SER 43 -10.716 0.416 13.199 326 HA SER 43 HA SER 43 -12.916 2.090 12.600 327 HB2 SER 43 HB2 SER 43 -10.955 1.926 11.132 328 HB3 SER 43 HB3 SER 43 -11.330 0.242 10.787 329 HG SER 43 HG SER 43 -13.521 1.563 10.221 330 H TYR 44 H TYR 44 -12.453 -1.423 12.220 331 HA TYR 44 HA TYR 44 -15.059 -1.894 11.213 332 HB2 TYR 44 HB2 TYR 44 -13.085 -3.355 10.880 333 HB3 TYR 44 HB3 TYR 44 -13.230 -3.848 12.563 334 HD1 TYR 44 HD1 TYR 44 -14.585 -4.200 9.216 335 HD2 TYR 44 HD2 TYR 44 -15.163 -5.144 13.312 336 HE1 TYR 44 HE1 TYR 44 -16.237 -5.900 8.573 337 HE2 TYR 44 HE2 TYR 44 -16.811 -6.862 12.695 338 HH TYR 44 HH TYR 44 -17.289 -7.849 9.406 339 H ALA 45 H ALA 45 -13.630 -2.283 14.414 340 HA ALA 45 HA ALA 45 -15.882 -3.371 15.646 341 HB1 ALA 45 HB1 ALA 45 -13.841 -1.554 16.917 342 HB2 ALA 45 HB2 ALA 45 -13.675 -3.300 16.711 343 HB3 ALA 45 HB3 ALA 45 -14.942 -2.650 17.756 344 H ASP 46 H ASP 46 -15.021 -0.133 14.840 345 HA ASP 46 HA ASP 46 -16.990 1.196 16.419 346 HB2 ASP 46 HB2 ASP 46 -15.037 2.368 15.536 347 HB3 ASP 46 HB3 ASP 46 -15.644 2.157 13.897 348 H ARG 47 H ARG 47 -16.936 0.163 13.021 349 HA ARG 47 HA ARG 47 -19.465 1.247 12.354 350 HB2 ARG 47 HB2 ARG 47 -19.345 -0.025 10.322 351 HB3 ARG 47 HB3 ARG 47 -17.728 0.551 10.695 352 HG2 ARG 47 HG2 ARG 47 -17.176 -1.657 11.620 353 HG3 ARG 47 HG3 ARG 47 -18.783 -2.223 11.173 354 HD2 ARG 47 HD2 ARG 47 -16.756 -1.136 9.237 355 HD3 ARG 47 HD3 ARG 47 -16.992 -2.850 9.579 356 HE ARG 47 HE ARG 47 -19.172 -2.694 8.606 357 HH11 ARG 47 HH11 ARG 47 -17.134 0.137 8.081 358 HH12 ARG 47 HH12 ARG 47 -18.011 0.646 6.679 359 HH21 ARG 47 HH21 ARG 47 -20.312 -1.994 6.749 360 HH22 ARG 47 HH22 ARG 47 -19.800 -0.563 5.916 361 H THR 48 H THR 48 -18.499 -1.710 13.879 362 HA THR 48 HA THR 48 -21.196 -2.773 13.643 363 HB THR 48 HB THR 48 -19.408 -4.379 13.235 364 HG1 THR 48 HG1 THR 48 -20.898 -4.761 15.628 365 HG21 THR 48 HG21 THR 48 -18.511 -3.741 16.037 366 HG22 THR 48 HG22 THR 48 -17.622 -3.441 14.539 367 HG23 THR 48 HG23 THR 48 -17.917 -5.095 15.075 368 H GLY 49 H GLY 49 -19.559 -0.719 15.645 369 HA2 GLY 49 HA2 GLY 49 -20.144 0.255 17.630 370 HA3 GLY 49 HA3 GLY 49 -21.668 -0.606 17.516 371 H VAL 50 H VAL 50 -18.469 -2.077 17.683 372 HA VAL 50 HA VAL 50 -19.268 -3.177 20.289 373 HB VAL 50 HB VAL 50 -19.242 -4.711 18.172 374 HG11 VAL 50 HG11 VAL 50 -17.145 -5.854 17.769 375 HG12 VAL 50 HG12 VAL 50 -16.317 -4.753 18.868 376 HG13 VAL 50 HG13 VAL 50 -17.037 -4.139 17.376 377 HG21 VAL 50 HG21 VAL 50 -17.844 -5.670 20.648 378 HG22 VAL 50 HG22 VAL 50 -18.877 -6.597 19.550 379 HG23 VAL 50 HG23 VAL 50 -19.572 -5.340 20.567 380 H ALA 51 H ALA 51 -17.382 -4.016 21.565 381 HA ALA 51 HA ALA 51 -15.503 -2.016 22.065 382 HB1 ALA 51 HB1 ALA 51 -15.483 -4.950 22.790 383 HB2 ALA 51 HB2 ALA 51 -16.064 -3.613 23.776 384 HB3 ALA 51 HB3 ALA 51 -14.341 -3.765 23.424 385 H VAL 52 H VAL 52 -13.634 -1.507 21.211 386 HA VAL 52 HA VAL 52 -12.804 -2.502 18.735 387 HB VAL 52 HB VAL 52 -11.340 -0.801 20.756 388 HG11 VAL 52 HG11 VAL 52 -9.849 -0.155 18.894 389 HG12 VAL 52 HG12 VAL 52 -10.590 -1.411 17.899 390 HG13 VAL 52 HG13 VAL 52 -9.689 -1.851 19.348 391 HG21 VAL 52 HG21 VAL 52 -11.945 1.045 19.261 392 HG22 VAL 52 HG22 VAL 52 -13.370 0.208 19.872 393 HG23 VAL 52 HG23 VAL 52 -12.817 -0.083 18.224 394 H ASN 53 H ASN 53 -11.506 -3.029 21.982 395 HA ASN 53 HA ASN 53 -9.367 -4.644 20.950 396 HB2 ASN 53 HB2 ASN 53 -10.243 -4.027 23.763 397 HB3 ASN 53 HB3 ASN 53 -8.909 -5.115 23.398 398 HD21 ASN 53 HD21 ASN 53 -8.807 -2.632 24.837 399 HD22 ASN 53 HD22 ASN 53 -7.732 -1.597 23.964 400 H SER 54 H SER 54 -12.604 -5.255 21.717 401 HA SER 54 HA SER 54 -12.167 -8.048 22.352 402 HB2 SER 54 HB2 SER 54 -14.703 -6.496 21.828 403 HB3 SER 54 HB3 SER 54 -14.638 -8.176 22.342 404 HG SER 54 HG SER 54 -13.122 -6.829 24.017 405 H LEU 55 H LEU 55 -12.461 -6.126 19.598 406 HA LEU 55 HA LEU 55 -13.397 -8.287 17.879 407 HB2 LEU 55 HB2 LEU 55 -14.074 -5.737 17.799 408 HB3 LEU 55 HB3 LEU 55 -12.542 -5.538 16.985 409 HG LEU 55 HG LEU 55 -14.386 -5.621 15.392 410 HD11 LEU 55 HD11 LEU 55 -12.200 -6.520 14.737 411 HD12 LEU 55 HD12 LEU 55 -13.543 -7.267 13.874 412 HD13 LEU 55 HD13 LEU 55 -12.750 -8.131 15.191 413 HD21 LEU 55 HD21 LEU 55 -14.892 -8.429 16.360 414 HD22 LEU 55 HD22 LEU 55 -15.754 -7.575 15.080 415 HD23 LEU 55 HD23 LEU 55 -15.892 -7.032 16.752 416 H ARG 56 H ARG 56 -11.978 -9.328 16.473 417 HA ARG 56 HA ARG 56 -9.196 -8.441 16.638 418 HB2 ARG 56 HB2 ARG 56 -8.468 -10.801 16.853 419 HB3 ARG 56 HB3 ARG 56 -9.362 -10.219 18.249 420 HG2 ARG 56 HG2 ARG 56 -10.901 -11.617 16.137 421 HG3 ARG 56 HG3 ARG 56 -9.819 -12.588 17.135 422 HD2 ARG 56 HD2 ARG 56 -11.881 -10.696 18.263 423 HD3 ARG 56 HD3 ARG 56 -12.195 -12.410 17.965 424 HE ARG 56 HE ARG 56 -9.856 -11.975 19.552 425 HH11 ARG 56 HH11 ARG 56 -13.359 -12.279 19.693 426 HH12 ARG 56 HH12 ARG 56 -13.368 -12.689 21.377 427 HH21 ARG 56 HH21 ARG 56 -9.890 -12.525 21.766 428 HH22 ARG 56 HH22 ARG 56 -11.401 -12.828 22.554 429 H PHE 57 H PHE 57 -7.995 -8.706 14.873 430 HA PHE 57 HA PHE 57 -9.308 -9.855 12.520 431 HB2 PHE 57 HB2 PHE 57 -7.455 -7.518 12.863 432 HB3 PHE 57 HB3 PHE 57 -7.573 -8.392 11.341 433 HD1 PHE 57 HD1 PHE 57 -9.917 -6.910 13.840 434 HD2 PHE 57 HD2 PHE 57 -8.856 -7.509 9.798 435 HE1 PHE 57 HE1 PHE 57 -11.804 -5.488 13.143 436 HE2 PHE 57 HE2 PHE 57 -10.745 -6.111 9.082 437 HZ PHE 57 HZ PHE 57 -12.217 -5.100 10.756 438 H LEU 58 H LEU 58 -8.210 -11.370 11.455 439 HA LEU 58 HA LEU 58 -5.445 -11.833 12.271 440 HB2 LEU 58 HB2 LEU 58 -7.700 -13.752 12.241 441 HB3 LEU 58 HB3 LEU 58 -6.111 -14.322 11.778 442 HG LEU 58 HG LEU 58 -6.112 -14.837 13.963 443 HD11 LEU 58 HD11 LEU 58 -4.252 -13.471 13.500 444 HD12 LEU 58 HD12 LEU 58 -4.747 -13.429 15.195 445 HD13 LEU 58 HD13 LEU 58 -5.130 -12.071 14.132 446 HD21 LEU 58 HD21 LEU 58 -8.164 -14.112 14.771 447 HD22 LEU 58 HD22 LEU 58 -7.807 -12.423 14.415 448 HD23 LEU 58 HD23 LEU 58 -6.998 -13.233 15.757 449 H PHE 59 H PHE 59 -4.156 -12.753 10.833 450 HA PHE 59 HA PHE 59 -5.218 -12.719 8.096 451 HB2 PHE 59 HB2 PHE 59 -3.551 -10.964 8.318 452 HB3 PHE 59 HB3 PHE 59 -2.397 -12.108 9.000 453 HD1 PHE 59 HD1 PHE 59 -4.581 -11.905 5.979 454 HD2 PHE 59 HD2 PHE 59 -0.746 -12.812 7.575 455 HE1 PHE 59 HE1 PHE 59 -3.770 -12.439 3.720 456 HE2 PHE 59 HE2 PHE 59 0.070 -13.350 5.325 457 HZ PHE 59 HZ PHE 59 -1.442 -13.169 3.394 458 H ASP 60 H ASP 60 -5.665 -14.702 7.640 459 HA ASP 60 HA ASP 60 -5.583 -16.945 7.429 460 HB2 ASP 60 HB2 ASP 60 -3.559 -16.118 6.075 461 HB3 ASP 60 HB3 ASP 60 -2.579 -16.729 7.402 462 H GLY 61 H GLY 61 -5.296 -15.704 10.140 463 HA2 GLY 61 HA2 GLY 61 -5.708 -16.968 12.137 464 HA3 GLY 61 HA3 GLY 61 -4.580 -18.172 11.561 465 H ARG 62 H ARG 62 -3.022 -15.407 10.868 466 HA ARG 62 HA ARG 62 -1.784 -15.377 13.528 467 HB2 ARG 62 HB2 ARG 62 0.290 -14.631 12.470 468 HB3 ARG 62 HB3 ARG 62 -0.277 -16.158 11.811 469 HG2 ARG 62 HG2 ARG 62 0.464 -15.027 9.956 470 HG3 ARG 62 HG3 ARG 62 -1.274 -14.735 9.928 471 HD2 ARG 62 HD2 ARG 62 -0.025 -12.696 9.429 472 HD3 ARG 62 HD3 ARG 62 -0.924 -12.538 10.941 473 HE ARG 62 HE ARG 62 1.036 -12.211 12.013 474 HH11 ARG 62 HH11 ARG 62 1.782 -13.941 9.031 475 HH12 ARG 62 HH12 ARG 62 3.491 -13.760 9.198 476 HH21 ARG 62 HH21 ARG 62 3.316 -11.916 12.204 477 HH22 ARG 62 HH22 ARG 62 4.361 -12.614 11.014 478 H ARG 63 H ARG 63 -1.047 -13.339 14.369 479 HA ARG 63 HA ARG 63 -3.228 -11.582 14.238 480 HB2 ARG 63 HB2 ARG 63 -0.646 -11.530 15.756 481 HB3 ARG 63 HB3 ARG 63 -1.756 -10.171 15.822 482 HG2 ARG 63 HG2 ARG 63 -2.201 -11.545 17.707 483 HG3 ARG 63 HG3 ARG 63 -3.530 -11.767 16.571 484 HD2 ARG 63 HD2 ARG 63 -2.595 -13.868 15.829 485 HD3 ARG 63 HD3 ARG 63 -1.174 -13.624 16.843 486 HE ARG 63 HE ARG 63 -3.379 -13.521 18.514 487 HH11 ARG 63 HH11 ARG 63 -1.819 -15.887 16.436 488 HH12 ARG 63 HH12 ARG 63 -2.348 -17.249 17.351 489 HH21 ARG 63 HH21 ARG 63 -4.085 -15.330 19.751 490 HH22 ARG 63 HH22 ARG 63 -3.645 -16.927 19.264 491 H ILE 64 H ILE 64 -3.482 -9.552 13.549 492 HA ILE 64 HA ILE 64 -1.857 -8.542 11.390 493 HB ILE 64 HB ILE 64 -4.115 -7.142 12.861 494 HG12 ILE 64 HG12 ILE 64 -4.894 -9.293 11.933 495 HG13 ILE 64 HG13 ILE 64 -5.591 -7.929 11.071 496 HG21 ILE 64 HG21 ILE 64 -4.269 -5.779 10.863 497 HG22 ILE 64 HG22 ILE 64 -3.005 -6.742 10.094 498 HG23 ILE 64 HG23 ILE 64 -2.614 -5.728 11.493 499 HD11 ILE 64 HD11 ILE 64 -3.914 -8.259 9.297 500 HD12 ILE 64 HD12 ILE 64 -4.997 -9.629 9.526 501 HD13 ILE 64 HD13 ILE 64 -3.344 -9.697 10.150 502 H ASN 65 H ASN 65 -0.632 -6.683 11.353 503 HA ASN 65 HA ASN 65 1.091 -6.540 13.481 504 HB2 ASN 65 HB2 ASN 65 0.884 -4.384 11.514 505 HB3 ASN 65 HB3 ASN 65 2.301 -5.124 12.245 506 HD21 ASN 65 HD21 ASN 65 1.621 -4.451 9.479 507 HD22 ASN 65 HD22 ASN 65 1.757 -5.922 8.582 508 H ASP 66 H ASP 66 0.084 -5.709 15.281 509 HA ASP 66 HA ASP 66 -0.084 -2.811 15.168 510 HB2 ASP 66 HB2 ASP 66 -1.366 -3.630 17.018 511 HB3 ASP 66 HB3 ASP 66 -0.103 -4.781 17.488 512 H ASP 67 H ASP 67 1.735 -5.533 15.848 513 HA ASP 67 HA ASP 67 4.257 -4.062 16.200 514 HB2 ASP 67 HB2 ASP 67 3.635 -5.112 18.277 515 HB3 ASP 67 HB3 ASP 67 3.300 -6.633 17.463 516 H ASP 68 H ASP 68 2.469 -6.348 14.304 517 HA ASP 68 HA ASP 68 4.742 -7.907 13.554 518 HB2 ASP 68 HB2 ASP 68 1.890 -7.856 12.643 519 HB3 ASP 68 HB3 ASP 68 3.102 -8.724 11.717 520 H THR 69 H THR 69 5.073 -8.176 11.019 521 HA THR 69 HA THR 69 6.014 -5.495 10.361 522 HB THR 69 HB THR 69 6.980 -8.199 9.423 523 HG1 THR 69 HG1 THR 69 7.407 -7.563 11.671 524 HG21 THR 69 HG21 THR 69 8.132 -5.446 8.965 525 HG22 THR 69 HG22 THR 69 7.393 -6.478 7.739 526 HG23 THR 69 HG23 THR 69 8.903 -6.965 8.509 527 HA PRO 70 HA PRO 70 2.971 -5.166 7.107 528 HB2 PRO 70 HB2 PRO 70 5.193 -3.586 5.857 529 HB3 PRO 70 HB3 PRO 70 3.488 -3.170 6.055 530 HG2 PRO 70 HG2 PRO 70 5.264 -2.077 7.669 531 HG3 PRO 70 HG3 PRO 70 3.729 -2.677 8.327 532 HD2 PRO 70 HD2 PRO 70 6.447 -3.909 8.454 533 HD3 PRO 70 HD3 PRO 70 5.175 -3.832 9.691 534 H LYS 71 H LYS 71 6.384 -5.848 6.332 535 HA LYS 71 HA LYS 71 5.650 -7.025 3.838 536 HB2 LYS 71 HB2 LYS 71 7.718 -6.273 3.403 537 HB3 LYS 71 HB3 LYS 71 8.101 -6.120 5.107 538 HG2 LYS 71 HG2 LYS 71 8.128 -8.824 3.893 539 HG3 LYS 71 HG3 LYS 71 9.449 -7.711 3.528 540 HD2 LYS 71 HD2 LYS 71 10.159 -7.624 5.723 541 HD3 LYS 71 HD3 LYS 71 8.579 -8.089 6.357 542 HE2 LYS 71 HE2 LYS 71 10.216 -9.866 6.610 543 HE3 LYS 71 HE3 LYS 71 8.879 -10.322 5.555 544 HZ1 LYS 71 HZ1 LYS 71 11.554 -9.421 4.613 545 HZ2 LYS 71 HZ2 LYS 71 10.276 -9.940 3.636 546 HZ3 LYS 71 HZ3 LYS 71 11.037 -11.028 4.676 547 H THR 72 H THR 72 6.094 -8.175 7.108 548 HA THR 72 HA THR 72 6.573 -10.880 6.349 549 HB THR 72 HB THR 72 7.059 -9.883 8.701 550 HG1 THR 72 HG1 THR 72 6.722 -12.302 7.863 551 HG21 THR 72 HG21 THR 72 4.173 -10.708 9.109 552 HG22 THR 72 HG22 THR 72 4.779 -9.056 9.186 553 HG23 THR 72 HG23 THR 72 5.298 -10.238 10.384 554 H LEU 73 H LEU 73 3.721 -8.937 6.940 555 HA LEU 73 HA LEU 73 1.874 -11.090 6.641 556 HB2 LEU 73 HB2 LEU 73 1.576 -8.128 6.272 557 HB3 LEU 73 HB3 LEU 73 0.238 -9.251 6.084 558 HG LEU 73 HG LEU 73 1.777 -8.605 8.595 559 HD11 LEU 73 HD11 LEU 73 -0.382 -7.704 9.310 560 HD12 LEU 73 HD12 LEU 73 -1.091 -8.131 7.754 561 HD13 LEU 73 HD13 LEU 73 0.177 -6.908 7.840 562 HD21 LEU 73 HD21 LEU 73 0.162 -10.076 9.715 563 HD22 LEU 73 HD22 LEU 73 1.183 -10.963 8.585 564 HD23 LEU 73 HD23 LEU 73 -0.479 -10.563 8.146 565 H GLU 74 H GLU 74 3.715 -9.130 4.498 566 HA GLU 74 HA GLU 74 3.970 -9.051 2.250 567 HB2 GLU 74 HB2 GLU 74 4.270 -11.533 2.793 568 HB3 GLU 74 HB3 GLU 74 2.637 -11.759 2.198 569 HG2 GLU 74 HG2 GLU 74 3.292 -10.965 0.013 570 HG3 GLU 74 HG3 GLU 74 4.921 -10.629 0.603 571 H MET 75 H MET 75 1.703 -7.777 3.256 572 HA MET 75 HA MET 75 -0.661 -8.413 1.816 573 HB2 MET 75 HB2 MET 75 0.188 -5.900 3.243 574 HB3 MET 75 HB3 MET 75 -1.412 -6.174 2.565 575 HG2 MET 75 HG2 MET 75 -0.152 -7.895 4.664 576 HG3 MET 75 HG3 MET 75 -1.224 -6.547 5.006 577 HE1 MET 75 HE1 MET 75 -3.570 -9.547 5.785 578 HE2 MET 75 HE2 MET 75 -2.908 -8.015 6.356 579 HE3 MET 75 HE3 MET 75 -1.850 -9.411 6.148 580 H GLU 76 H GLU 76 -1.668 -7.178 0.216 581 HA GLU 76 HA GLU 76 -0.196 -5.155 -1.172 582 HB2 GLU 76 HB2 GLU 76 -0.384 -6.236 -3.371 583 HB3 GLU 76 HB3 GLU 76 0.641 -7.167 -2.292 584 HG2 GLU 76 HG2 GLU 76 -1.214 -8.705 -1.874 585 HG3 GLU 76 HG3 GLU 76 -2.221 -7.772 -2.983 586 H ASP 77 H ASP 77 -1.691 -4.508 -3.134 587 HA ASP 77 HA ASP 77 -4.021 -3.529 -1.998 588 HB2 ASP 77 HB2 ASP 77 -2.877 -2.513 -3.918 589 HB3 ASP 77 HB3 ASP 77 -3.408 -3.853 -4.928 590 H ASP 78 H ASP 78 -5.779 -4.416 -1.479 591 HA ASP 78 HA ASP 78 -7.773 -5.469 -1.526 592 HB2 ASP 78 HB2 ASP 78 -7.610 -5.052 -4.057 593 HB3 ASP 78 HB3 ASP 78 -7.132 -6.739 -4.164 594 H ASP 79 H ASP 79 -5.421 -6.614 -0.346 595 HA ASP 79 HA ASP 79 -5.544 -9.438 -0.829 596 HB2 ASP 79 HB2 ASP 79 -3.636 -7.894 0.322 597 HB3 ASP 79 HB3 ASP 79 -4.438 -8.543 1.753 598 H VAL 80 H VAL 80 -5.758 -10.748 1.422 599 HA VAL 80 HA VAL 80 -8.542 -10.183 2.174 600 HB VAL 80 HB VAL 80 -8.793 -12.618 2.506 601 HG11 VAL 80 HG11 VAL 80 -9.466 -11.663 0.398 602 HG12 VAL 80 HG12 VAL 80 -8.704 -13.227 0.097 603 HG13 VAL 80 HG13 VAL 80 -7.810 -11.733 -0.201 604 HG21 VAL 80 HG21 VAL 80 -7.049 -14.124 1.613 605 HG22 VAL 80 HG22 VAL 80 -6.485 -13.184 2.999 606 HG23 VAL 80 HG23 VAL 80 -6.004 -12.720 1.372 607 H ILE 81 H ILE 81 -9.221 -10.537 4.239 608 HA ILE 81 HA ILE 81 -7.278 -11.171 6.285 609 HB ILE 81 HB ILE 81 -8.284 -8.499 5.777 610 HG12 ILE 81 HG12 ILE 81 -6.289 -9.601 7.764 611 HG13 ILE 81 HG13 ILE 81 -5.935 -9.103 6.115 612 HG21 ILE 81 HG21 ILE 81 -9.981 -9.141 7.455 613 HG22 ILE 81 HG22 ILE 81 -8.937 -7.818 7.952 614 HG23 ILE 81 HG23 ILE 81 -8.675 -9.439 8.608 615 HD11 ILE 81 HD11 ILE 81 -5.264 -7.462 7.827 616 HD12 ILE 81 HD12 ILE 81 -6.962 -7.263 8.264 617 HD13 ILE 81 HD13 ILE 81 -6.404 -6.821 6.652 618 H GLU 82 H GLU 82 -8.177 -11.982 8.195 619 HA GLU 82 HA GLU 82 -10.944 -12.934 7.834 620 HB2 GLU 82 HB2 GLU 82 -8.751 -14.166 9.497 621 HB3 GLU 82 HB3 GLU 82 -10.285 -14.892 9.051 622 HG2 GLU 82 HG2 GLU 82 -8.053 -14.200 7.155 623 HG3 GLU 82 HG3 GLU 82 -8.419 -15.822 7.753 624 H VAL 83 H VAL 83 -12.368 -12.763 9.567 625 HA VAL 83 HA VAL 83 -11.358 -11.407 11.983 626 HB VAL 83 HB VAL 83 -13.978 -10.859 10.570 627 HG11 VAL 83 HG11 VAL 83 -12.963 -9.766 13.197 628 HG12 VAL 83 HG12 VAL 83 -14.318 -10.877 13.000 629 HG13 VAL 83 HG13 VAL 83 -14.422 -9.236 12.359 630 HG21 VAL 83 HG21 VAL 83 -11.977 -9.773 9.648 631 HG22 VAL 83 HG22 VAL 83 -11.685 -9.048 11.239 632 HG23 VAL 83 HG23 VAL 83 -13.141 -8.635 10.328 633 H TYR 84 H TYR 84 -11.888 -12.282 13.858 634 HA TYR 84 HA TYR 84 -13.735 -14.543 13.879 635 HB2 TYR 84 HB2 TYR 84 -11.575 -13.669 15.785 636 HB3 TYR 84 HB3 TYR 84 -12.702 -14.967 16.141 637 HD1 TYR 84 HD1 TYR 84 -9.863 -13.934 14.089 638 HD2 TYR 84 HD2 TYR 84 -12.509 -17.113 15.034 639 HE1 TYR 84 HE1 TYR 84 -8.345 -15.512 12.975 640 HE2 TYR 84 HE2 TYR 84 -11.008 -18.708 13.912 641 HH TYR 84 HH TYR 84 -7.851 -17.960 13.123 642 H GLN 85 H GLN 85 -15.097 -14.742 15.868 643 HA GLN 85 HA GLN 85 -16.687 -12.390 16.076 644 HB2 GLN 85 HB2 GLN 85 -17.494 -14.804 16.211 645 HB3 GLN 85 HB3 GLN 85 -16.875 -14.820 17.858 646 HG2 GLN 85 HG2 GLN 85 -19.185 -14.357 17.992 647 HG3 GLN 85 HG3 GLN 85 -18.340 -12.842 18.321 648 HE21 GLN 85 HE21 GLN 85 -19.838 -11.410 17.650 649 HE22 GLN 85 HE22 GLN 85 -20.434 -11.303 16.027 650 H GLU 86 H GLU 86 -17.027 -11.052 17.882 651 HA GLU 86 HA GLU 86 -14.632 -10.795 19.498 652 HB2 GLU 86 HB2 GLU 86 -15.207 -8.555 19.838 653 HB3 GLU 86 HB3 GLU 86 -15.633 -8.892 18.172 654 HG2 GLU 86 HG2 GLU 86 -17.589 -8.905 20.438 655 HG3 GLU 86 HG3 GLU 86 -17.243 -7.506 19.429 656 H GLN 87 H GLN 87 -15.009 -9.821 21.715 657 HA GLN 87 HA GLN 87 -16.046 -11.794 23.425 658 HB2 GLN 87 HB2 GLN 87 -14.197 -10.367 24.070 659 HB3 GLN 87 HB3 GLN 87 -15.220 -8.946 23.970 660 HG2 GLN 87 HG2 GLN 87 -16.510 -9.666 25.826 661 HG3 GLN 87 HG3 GLN 87 -15.615 -11.190 25.928 662 HE21 GLN 87 HE21 GLN 87 -15.962 -9.138 27.937 663 HE22 GLN 87 HE22 GLN 87 -14.384 -8.570 28.351 664 H LEU 88 H LEU 88 -17.242 -8.530 22.726 665 HA LEU 88 HA LEU 88 -19.472 -8.750 24.449 666 HB2 LEU 88 HB2 LEU 88 -18.649 -6.781 22.363 667 HB3 LEU 88 HB3 LEU 88 -20.279 -6.720 23.006 668 HG LEU 88 HG LEU 88 -19.341 -6.411 25.278 669 HD11 LEU 88 HD11 LEU 88 -17.209 -7.512 25.013 670 HD12 LEU 88 HD12 LEU 88 -16.971 -5.845 25.536 671 HD13 LEU 88 HD13 LEU 88 -16.695 -6.290 23.852 672 HD21 LEU 88 HD21 LEU 88 -19.987 -4.478 23.961 673 HD22 LEU 88 HD22 LEU 88 -18.387 -4.425 23.222 674 HD23 LEU 88 HD23 LEU 88 -18.572 -4.110 24.947 675 H GLY 89 H GLY 89 -19.006 -9.406 21.061 676 HA2 GLY 89 HA2 GLY 89 -21.724 -9.528 20.320 677 HA3 GLY 89 HA3 GLY 89 -20.393 -10.296 19.470 678 H GLY 90 H GLY 90 -19.508 -12.019 21.496 679 HA2 GLY 90 HA2 GLY 90 -20.560 -13.673 22.997 680 HA3 GLY 90 HA3 GLY 90 -21.858 -13.769 21.813 Start of MODEL 18 1 H MET 1 H MET 1 -16.183 -0.030 25.046 2 HA MET 1 HA MET 1 -14.841 1.960 24.765 3 HB2 MET 1 HB2 MET 1 -13.767 -0.149 24.308 4 HB3 MET 1 HB3 MET 1 -14.506 -0.241 22.718 5 HG2 MET 1 HG2 MET 1 -12.183 0.339 22.506 6 HG3 MET 1 HG3 MET 1 -13.184 1.699 22.004 7 HE1 MET 1 HE1 MET 1 -11.122 3.339 22.135 8 HE2 MET 1 HE2 MET 1 -10.083 1.994 22.608 9 HE3 MET 1 HE3 MET 1 -10.072 3.489 23.543 10 H ALA 2 H ALA 2 -15.168 3.933 24.009 11 HA ALA 2 HA ALA 2 -16.461 4.302 21.447 12 HB1 ALA 2 HB1 ALA 2 -15.561 6.356 23.462 13 HB2 ALA 2 HB2 ALA 2 -17.175 5.652 23.368 14 HB3 ALA 2 HB3 ALA 2 -16.572 6.655 22.049 15 H ASP 3 H ASP 3 -14.863 3.582 20.050 16 HA ASP 3 HA ASP 3 -12.312 4.964 19.988 17 HB2 ASP 3 HB2 ASP 3 -11.752 3.448 18.142 18 HB3 ASP 3 HB3 ASP 3 -12.354 2.549 19.531 19 H ASP 4 H ASP 4 -11.739 5.227 17.380 20 HA ASP 4 HA ASP 4 -12.907 7.685 16.703 21 HB2 ASP 4 HB2 ASP 4 -11.281 5.752 15.059 22 HB3 ASP 4 HB3 ASP 4 -11.776 7.335 14.474 23 H ALA 5 H ALA 5 -13.582 4.398 15.580 24 HA ALA 5 HA ALA 5 -15.120 3.529 14.155 25 HB1 ALA 5 HB1 ALA 5 -17.400 4.390 14.368 26 HB2 ALA 5 HB2 ALA 5 -16.788 5.854 15.134 27 HB3 ALA 5 HB3 ALA 5 -16.620 4.299 15.948 28 H ALA 6 H ALA 6 -13.227 5.242 12.987 29 HA ALA 6 HA ALA 6 -14.508 5.795 10.488 30 HB1 ALA 6 HB1 ALA 6 -13.278 8.088 12.026 31 HB2 ALA 6 HB2 ALA 6 -14.995 7.883 11.674 32 HB3 ALA 6 HB3 ALA 6 -13.852 8.153 10.359 33 H GLN 7 H GLN 7 -12.926 6.323 8.819 34 HA GLN 7 HA GLN 7 -10.185 5.653 9.613 35 HB2 GLN 7 HB2 GLN 7 -9.925 4.482 7.431 36 HB3 GLN 7 HB3 GLN 7 -11.081 3.717 8.510 37 HG2 GLN 7 HG2 GLN 7 -12.920 4.686 7.252 38 HG3 GLN 7 HG3 GLN 7 -11.772 5.496 6.189 39 HE21 GLN 7 HE21 GLN 7 -13.861 3.475 5.666 40 HE22 GLN 7 HE22 GLN 7 -13.053 2.185 4.846 41 H ALA 8 H ALA 8 -8.524 6.642 8.467 42 HA ALA 8 HA ALA 8 -8.985 9.349 7.900 43 HB1 ALA 8 HB1 ALA 8 -6.884 8.486 8.815 44 HB2 ALA 8 HB2 ALA 8 -6.626 9.474 7.377 45 HB3 ALA 8 HB3 ALA 8 -6.536 7.716 7.267 46 H GLY 9 H GLY 9 -8.463 6.588 5.763 47 HA2 GLY 9 HA2 GLY 9 -9.048 6.386 3.540 48 HA3 GLY 9 HA3 GLY 9 -9.602 8.059 3.552 49 H ASP 10 H ASP 10 -6.549 7.483 4.812 50 HA ASP 10 HA ASP 10 -5.259 8.946 2.661 51 HB2 ASP 10 HB2 ASP 10 -4.745 9.553 4.970 52 HB3 ASP 10 HB3 ASP 10 -4.231 7.909 5.317 53 H ASN 11 H ASN 11 -4.940 7.657 0.902 54 HA ASN 11 HA ASN 11 -3.274 5.301 1.302 55 HB2 ASN 11 HB2 ASN 11 -4.710 3.811 0.069 56 HB3 ASN 11 HB3 ASN 11 -5.634 4.522 1.380 57 HD21 ASN 11 HD21 ASN 11 -7.330 5.903 0.910 58 HD22 ASN 11 HD22 ASN 11 -7.958 6.103 -0.686 59 H ALA 12 H ALA 12 -3.048 7.978 -0.010 60 HA ALA 12 HA ALA 12 -3.017 7.741 -2.797 61 HB1 ALA 12 HB1 ALA 12 -1.364 9.459 -0.993 62 HB2 ALA 12 HB2 ALA 12 -2.939 9.854 -1.680 63 HB3 ALA 12 HB3 ALA 12 -1.529 9.697 -2.734 64 H GLU 13 H GLU 13 -0.336 7.214 -0.505 65 HA GLU 13 HA GLU 13 1.196 5.965 -2.710 66 HB2 GLU 13 HB2 GLU 13 2.239 7.257 -0.187 67 HB3 GLU 13 HB3 GLU 13 3.226 6.466 -1.401 68 HG2 GLU 13 HG2 GLU 13 2.596 8.136 -3.034 69 HG3 GLU 13 HG3 GLU 13 1.544 8.916 -1.851 70 H TYR 14 H TYR 14 -0.394 4.211 -1.916 71 HA TYR 14 HA TYR 14 1.019 2.621 0.071 72 HB2 TYR 14 HB2 TYR 14 -1.943 3.204 0.109 73 HB3 TYR 14 HB3 TYR 14 -1.167 1.952 1.084 74 HD1 TYR 14 HD1 TYR 14 -1.439 5.593 0.541 75 HD2 TYR 14 HD2 TYR 14 0.065 2.530 3.064 76 HE1 TYR 14 HE1 TYR 14 -0.944 7.265 2.262 77 HE2 TYR 14 HE2 TYR 14 0.565 4.204 4.798 78 HH TYR 14 HH TYR 14 -0.645 7.370 4.650 79 H ILE 15 H ILE 15 0.115 0.353 0.153 80 HA ILE 15 HA ILE 15 0.013 -0.633 -2.634 81 HB ILE 15 HB ILE 15 1.142 -2.598 -1.789 82 HG12 ILE 15 HG12 ILE 15 0.707 -1.324 0.910 83 HG13 ILE 15 HG13 ILE 15 -0.036 -2.790 0.261 84 HG21 ILE 15 HG21 ILE 15 2.393 -0.103 -0.665 85 HG22 ILE 15 HG22 ILE 15 2.562 -0.692 -2.318 86 HG23 ILE 15 HG23 ILE 15 3.230 -1.623 -0.977 87 HD11 ILE 15 HD11 ILE 15 2.913 -2.604 0.591 88 HD12 ILE 15 HD12 ILE 15 1.847 -4.024 0.523 89 HD13 ILE 15 HD13 ILE 15 1.852 -2.989 1.946 90 H LYS 16 H LYS 16 -1.112 -2.764 -2.859 91 HA LYS 16 HA LYS 16 -3.640 -2.684 -1.417 92 HB2 LYS 16 HB2 LYS 16 -2.741 -4.317 -3.741 93 HB3 LYS 16 HB3 LYS 16 -4.345 -4.435 -3.034 94 HG2 LYS 16 HG2 LYS 16 -4.504 -1.933 -3.523 95 HG3 LYS 16 HG3 LYS 16 -3.094 -2.210 -4.559 96 HD2 LYS 16 HD2 LYS 16 -5.712 -3.693 -4.807 97 HD3 LYS 16 HD3 LYS 16 -5.244 -2.319 -5.804 98 HE2 LYS 16 HE2 LYS 16 -3.726 -4.920 -5.620 99 HE3 LYS 16 HE3 LYS 16 -4.872 -4.514 -6.893 100 HZ1 LYS 16 HZ1 LYS 16 -2.669 -4.089 -7.655 101 HZ2 LYS 16 HZ2 LYS 16 -2.299 -3.141 -6.307 102 HZ3 LYS 16 HZ3 LYS 16 -3.439 -2.599 -7.442 103 H ILE 17 H ILE 17 -4.434 -4.263 -0.215 104 HA ILE 17 HA ILE 17 -2.957 -6.756 0.045 105 HB ILE 17 HB ILE 17 -3.799 -4.900 2.251 106 HG12 ILE 17 HG12 ILE 17 -1.630 -6.031 3.155 107 HG13 ILE 17 HG13 ILE 17 -1.438 -6.531 1.482 108 HG21 ILE 17 HG21 ILE 17 -5.037 -6.958 2.704 109 HG22 ILE 17 HG22 ILE 17 -3.730 -6.730 3.866 110 HG23 ILE 17 HG23 ILE 17 -3.549 -7.892 2.551 111 HD11 ILE 17 HD11 ILE 17 -0.179 -4.540 1.898 112 HD12 ILE 17 HD12 ILE 17 -1.626 -3.722 2.472 113 HD13 ILE 17 HD13 ILE 17 -1.503 -4.203 0.783 114 H LYS 18 H LYS 18 -4.220 -8.562 0.115 115 HA LYS 18 HA LYS 18 -7.082 -8.038 -0.229 116 HB2 LYS 18 HB2 LYS 18 -5.869 -10.758 -0.562 117 HB3 LYS 18 HB3 LYS 18 -7.290 -10.079 -1.310 118 HG2 LYS 18 HG2 LYS 18 -5.707 -8.516 -2.618 119 HG3 LYS 18 HG3 LYS 18 -4.429 -9.565 -2.023 120 HD2 LYS 18 HD2 LYS 18 -6.801 -10.761 -3.385 121 HD3 LYS 18 HD3 LYS 18 -5.494 -10.051 -4.331 122 HE2 LYS 18 HE2 LYS 18 -5.083 -12.151 -2.218 123 HE3 LYS 18 HE3 LYS 18 -5.301 -12.518 -3.930 124 HZ1 LYS 18 HZ1 LYS 18 -3.095 -10.975 -2.682 125 HZ2 LYS 18 HZ2 LYS 18 -3.370 -11.012 -4.340 126 HZ3 LYS 18 HZ3 LYS 18 -2.983 -12.443 -3.521 127 H VAL 19 H VAL 19 -8.024 -7.918 1.654 128 HA VAL 19 HA VAL 19 -7.244 -9.526 3.906 129 HB VAL 19 HB VAL 19 -9.536 -7.592 3.488 130 HG11 VAL 19 HG11 VAL 19 -10.122 -9.170 5.199 131 HG12 VAL 19 HG12 VAL 19 -9.759 -7.607 5.934 132 HG13 VAL 19 HG13 VAL 19 -8.576 -8.916 6.006 133 HG21 VAL 19 HG21 VAL 19 -7.387 -6.474 3.397 134 HG22 VAL 19 HG22 VAL 19 -6.895 -7.244 4.904 135 HG23 VAL 19 HG23 VAL 19 -8.208 -6.066 4.906 136 H VAL 20 H VAL 20 -7.923 -11.584 4.054 137 HA VAL 20 HA VAL 20 -10.500 -12.275 2.827 138 HB VAL 20 HB VAL 20 -8.220 -14.101 3.630 139 HG11 VAL 20 HG11 VAL 20 -10.373 -15.219 3.790 140 HG12 VAL 20 HG12 VAL 20 -9.459 -15.838 2.415 141 HG13 VAL 20 HG13 VAL 20 -10.782 -14.704 2.154 142 HG21 VAL 20 HG21 VAL 20 -7.623 -12.725 1.716 143 HG22 VAL 20 HG22 VAL 20 -9.116 -13.185 0.899 144 HG23 VAL 20 HG23 VAL 20 -7.876 -14.396 1.213 145 H GLY 21 H GLY 21 -12.124 -12.485 4.155 146 HA2 GLY 21 HA2 GLY 21 -11.619 -12.805 7.009 147 HA3 GLY 21 HA3 GLY 21 -13.171 -12.461 6.277 148 H GLN 22 H GLN 22 -13.401 -14.206 8.150 149 HA GLN 22 HA GLN 22 -12.706 -16.864 7.541 150 HB2 GLN 22 HB2 GLN 22 -14.695 -15.746 9.506 151 HB3 GLN 22 HB3 GLN 22 -14.355 -17.467 9.360 152 HG2 GLN 22 HG2 GLN 22 -12.336 -15.341 10.023 153 HG3 GLN 22 HG3 GLN 22 -13.104 -16.429 11.178 154 HE21 GLN 22 HE21 GLN 22 -10.282 -16.019 10.269 155 HE22 GLN 22 HE22 GLN 22 -9.717 -17.600 9.851 156 H ASP 23 H ASP 23 -15.583 -15.005 6.924 157 HA ASP 23 HA ASP 23 -17.033 -17.233 5.839 158 HB2 ASP 23 HB2 ASP 23 -17.456 -14.300 6.056 159 HB3 ASP 23 HB3 ASP 23 -18.300 -15.122 4.750 160 H SER 24 H SER 24 -14.281 -16.412 4.875 161 HA SER 24 HA SER 24 -13.054 -16.456 2.991 162 HB2 SER 24 HB2 SER 24 -15.613 -17.477 1.742 163 HB3 SER 24 HB3 SER 24 -14.007 -17.573 1.017 164 HG SER 24 HG SER 24 -15.150 -19.253 2.734 165 H ASN 25 H ASN 25 -14.473 -14.127 3.786 166 HA ASN 25 HA ASN 25 -15.248 -12.846 1.276 167 HB2 ASN 25 HB2 ASN 25 -16.639 -12.492 3.273 168 HB3 ASN 25 HB3 ASN 25 -15.282 -11.704 4.074 169 HD21 ASN 25 HD21 ASN 25 -16.331 -9.751 4.277 170 HD22 ASN 25 HD22 ASN 25 -16.678 -8.725 2.931 171 H GLU 26 H GLU 26 -13.647 -12.186 0.106 172 HA GLU 26 HA GLU 26 -11.260 -11.057 1.347 173 HB2 GLU 26 HB2 GLU 26 -10.804 -12.761 -0.267 174 HB3 GLU 26 HB3 GLU 26 -11.816 -11.969 -1.470 175 HG2 GLU 26 HG2 GLU 26 -10.199 -10.050 -1.391 176 HG3 GLU 26 HG3 GLU 26 -9.172 -11.053 -0.368 177 H VAL 27 H VAL 27 -10.762 -9.001 1.249 178 HA VAL 27 HA VAL 27 -12.142 -7.248 -0.643 179 HB VAL 27 HB VAL 27 -13.391 -7.022 1.450 180 HG11 VAL 27 HG11 VAL 27 -11.628 -7.774 2.973 181 HG12 VAL 27 HG12 VAL 27 -12.353 -6.251 3.492 182 HG13 VAL 27 HG13 VAL 27 -10.773 -6.254 2.706 183 HG21 VAL 27 HG21 VAL 27 -13.113 -5.027 0.103 184 HG22 VAL 27 HG22 VAL 27 -11.594 -4.662 0.921 185 HG23 VAL 27 HG23 VAL 27 -13.112 -4.606 1.816 186 H HIS 28 H HIS 28 -10.923 -5.593 -1.396 187 HA HIS 28 HA HIS 28 -8.085 -5.888 -0.823 188 HB2 HIS 28 HB2 HIS 28 -9.542 -4.547 -3.092 189 HB3 HIS 28 HB3 HIS 28 -7.789 -4.551 -2.919 190 HD2 HIS 28 HD2 HIS 28 -8.544 -7.990 -1.947 191 HE1 HIS 28 HE1 HIS 28 -8.603 -8.166 -6.180 192 HE2 HIS 28 HE2 HIS 28 -8.734 -9.491 -4.036 193 H PHE 29 H PHE 29 -7.280 -4.620 0.612 194 HA PHE 29 HA PHE 29 -8.249 -1.859 0.806 195 HB2 PHE 29 HB2 PHE 29 -7.201 -3.745 2.854 196 HB3 PHE 29 HB3 PHE 29 -6.940 -2.024 3.085 197 HD1 PHE 29 HD1 PHE 29 -9.251 -4.735 3.381 198 HD2 PHE 29 HD2 PHE 29 -8.962 -0.507 3.048 199 HE1 PHE 29 HE1 PHE 29 -11.537 -4.503 4.269 200 HE2 PHE 29 HE2 PHE 29 -11.238 -0.270 3.934 201 HZ PHE 29 HZ PHE 29 -12.527 -2.266 4.543 202 H ARG 30 H ARG 30 -6.767 -0.191 1.157 203 HA ARG 30 HA ARG 30 -4.146 -0.765 -0.028 204 HB2 ARG 30 HB2 ARG 30 -5.726 0.813 -1.193 205 HB3 ARG 30 HB3 ARG 30 -5.537 1.896 0.178 206 HG2 ARG 30 HG2 ARG 30 -3.987 2.737 -1.279 207 HG3 ARG 30 HG3 ARG 30 -3.011 1.629 -0.331 208 HD2 ARG 30 HD2 ARG 30 -2.549 1.405 -2.707 209 HD3 ARG 30 HD3 ARG 30 -3.242 -0.069 -2.029 210 HE ARG 30 HE ARG 30 -5.412 1.203 -2.964 211 HH11 ARG 30 HH11 ARG 30 -2.314 0.552 -4.469 212 HH12 ARG 30 HH12 ARG 30 -2.988 0.310 -6.043 213 HH21 ARG 30 HH21 ARG 30 -6.304 0.885 -5.031 214 HH22 ARG 30 HH22 ARG 30 -5.266 0.503 -6.363 215 H VAL 31 H VAL 31 -2.564 -0.790 1.408 216 HA VAL 31 HA VAL 31 -2.477 1.172 3.577 217 HB VAL 31 HB VAL 31 -1.737 -0.533 5.239 218 HG11 VAL 31 HG11 VAL 31 -4.501 -1.030 4.130 219 HG12 VAL 31 HG12 VAL 31 -4.061 0.268 5.243 220 HG13 VAL 31 HG13 VAL 31 -3.954 -1.416 5.761 221 HG21 VAL 31 HG21 VAL 31 -2.753 -2.505 3.229 222 HG22 VAL 31 HG22 VAL 31 -2.170 -2.873 4.855 223 HG23 VAL 31 HG23 VAL 31 -1.056 -2.244 3.636 224 H LYS 32 H LYS 32 -0.217 0.617 4.831 225 HA LYS 32 HA LYS 32 1.749 1.046 2.723 226 HB2 LYS 32 HB2 LYS 32 1.532 2.504 4.780 227 HB3 LYS 32 HB3 LYS 32 2.151 1.146 5.703 228 HG2 LYS 32 HG2 LYS 32 4.238 1.225 4.463 229 HG3 LYS 32 HG3 LYS 32 3.618 2.562 3.489 230 HD2 LYS 32 HD2 LYS 32 3.330 3.877 5.567 231 HD3 LYS 32 HD3 LYS 32 4.067 2.541 6.455 232 HE2 LYS 32 HE2 LYS 32 6.130 2.817 5.202 233 HE3 LYS 32 HE3 LYS 32 5.397 4.114 4.259 234 HZ1 LYS 32 HZ1 LYS 32 5.958 4.149 7.173 235 HZ2 LYS 32 HZ2 LYS 32 5.104 5.353 6.348 236 HZ3 LYS 32 HZ3 LYS 32 6.725 5.068 5.979 237 H TYR 33 H TYR 33 3.727 -0.114 2.618 238 HA TYR 33 HA TYR 33 3.760 -2.879 2.800 239 HB2 TYR 33 HB2 TYR 33 6.094 -1.000 3.216 240 HB3 TYR 33 HB3 TYR 33 6.245 -2.716 2.897 241 HD1 TYR 33 HD1 TYR 33 5.444 0.555 1.433 242 HD2 TYR 33 HD2 TYR 33 5.942 -3.600 0.674 243 HE1 TYR 33 HE1 TYR 33 5.571 1.016 -0.981 244 HE2 TYR 33 HE2 TYR 33 6.063 -3.151 -1.739 245 HH TYR 33 HH TYR 33 5.461 -1.509 -3.342 246 H GLY 34 H GLY 34 4.919 -0.537 5.158 247 HA2 GLY 34 HA2 GLY 34 5.084 -2.651 7.194 248 HA3 GLY 34 HA3 GLY 34 6.000 -1.149 7.229 249 H THR 35 H THR 35 2.605 -1.510 6.425 250 HA THR 35 HA THR 35 1.814 0.690 7.935 251 HB THR 35 HB THR 35 0.605 -0.874 6.050 252 HG1 THR 35 HG1 THR 35 -1.368 0.408 7.047 253 HG21 THR 35 HG21 THR 35 -0.840 -1.376 8.646 254 HG22 THR 35 HG22 THR 35 -0.016 -2.605 7.683 255 HG23 THR 35 HG23 THR 35 -1.448 -1.791 7.044 256 H SER 36 H SER 36 0.821 0.893 9.914 257 HA SER 36 HA SER 36 1.610 -1.070 11.869 258 HB2 SER 36 HB2 SER 36 0.137 1.555 12.180 259 HB3 SER 36 HB3 SER 36 0.740 0.557 13.504 260 HG SER 36 HG SER 36 2.427 1.518 11.443 261 H MET 37 H MET 37 0.171 -2.179 13.290 262 HA MET 37 HA MET 37 -1.952 -3.466 12.112 263 HB2 MET 37 HB2 MET 37 -2.572 -4.310 14.263 264 HB3 MET 37 HB3 MET 37 -0.822 -4.169 14.214 265 HG2 MET 37 HG2 MET 37 -0.958 -2.089 15.493 266 HG3 MET 37 HG3 MET 37 -2.712 -2.242 15.549 267 HE1 MET 37 HE1 MET 37 -1.028 -1.816 18.153 268 HE2 MET 37 HE2 MET 37 -1.731 -3.015 19.239 269 HE3 MET 37 HE3 MET 37 -2.773 -2.071 18.175 270 H ALA 38 H ALA 38 -2.059 -0.417 13.801 271 HA ALA 38 HA ALA 38 -4.855 -0.270 14.183 272 HB1 ALA 38 HB1 ALA 38 -2.925 2.011 13.825 273 HB2 ALA 38 HB2 ALA 38 -3.268 1.186 15.346 274 HB3 ALA 38 HB3 ALA 38 -4.542 2.103 14.528 275 H LYS 39 H LYS 39 -2.846 0.495 11.430 276 HA LYS 39 HA LYS 39 -4.578 2.181 10.002 277 HB2 LYS 39 HB2 LYS 39 -2.499 0.213 9.040 278 HB3 LYS 39 HB3 LYS 39 -3.320 1.349 7.991 279 HG2 LYS 39 HG2 LYS 39 -1.669 2.183 10.358 280 HG3 LYS 39 HG3 LYS 39 -1.032 2.016 8.722 281 HD2 LYS 39 HD2 LYS 39 -2.736 3.651 7.955 282 HD3 LYS 39 HD3 LYS 39 -3.218 3.878 9.638 283 HE2 LYS 39 HE2 LYS 39 -0.967 4.621 10.191 284 HE3 LYS 39 HE3 LYS 39 -0.462 4.359 8.523 285 HZ1 LYS 39 HZ1 LYS 39 -0.926 6.679 8.896 286 HZ2 LYS 39 HZ2 LYS 39 -2.477 6.327 9.459 287 HZ3 LYS 39 HZ3 LYS 39 -2.089 6.049 7.842 288 H LEU 40 H LEU 40 -4.285 -1.316 10.080 289 HA LEU 40 HA LEU 40 -6.286 -1.597 8.017 290 HB2 LEU 40 HB2 LEU 40 -5.919 -4.068 8.361 291 HB3 LEU 40 HB3 LEU 40 -4.575 -3.148 7.735 292 HG LEU 40 HG LEU 40 -4.729 -3.818 10.684 293 HD11 LEU 40 HD11 LEU 40 -3.572 -5.531 8.484 294 HD12 LEU 40 HD12 LEU 40 -4.994 -5.916 9.453 295 HD13 LEU 40 HD13 LEU 40 -3.408 -5.815 10.217 296 HD21 LEU 40 HD21 LEU 40 -2.975 -2.329 10.310 297 HD22 LEU 40 HD22 LEU 40 -2.621 -3.001 8.723 298 HD23 LEU 40 HD23 LEU 40 -2.182 -3.898 10.174 299 H LYS 41 H LYS 41 -5.959 -2.352 11.437 300 HA LYS 41 HA LYS 41 -8.401 -3.704 11.731 301 HB2 LYS 41 HB2 LYS 41 -6.723 -2.161 13.672 302 HB3 LYS 41 HB3 LYS 41 -8.123 -3.116 14.132 303 HG2 LYS 41 HG2 LYS 41 -7.075 -5.131 13.488 304 HG3 LYS 41 HG3 LYS 41 -5.761 -4.263 12.684 305 HD2 LYS 41 HD2 LYS 41 -4.974 -5.058 14.793 306 HD3 LYS 41 HD3 LYS 41 -5.130 -3.302 14.842 307 HE2 LYS 41 HE2 LYS 41 -7.281 -3.514 16.002 308 HE3 LYS 41 HE3 LYS 41 -7.150 -5.269 15.940 309 HZ1 LYS 41 HZ1 LYS 41 -6.495 -4.552 18.084 310 HZ2 LYS 41 HZ2 LYS 41 -5.442 -3.386 17.464 311 HZ3 LYS 41 HZ3 LYS 41 -5.082 -5.030 17.283 312 H LYS 42 H LYS 42 -7.553 -0.372 12.341 313 HA LYS 42 HA LYS 42 -10.152 0.379 13.113 314 HB2 LYS 42 HB2 LYS 42 -8.129 1.669 13.656 315 HB3 LYS 42 HB3 LYS 42 -7.947 2.092 11.963 316 HG2 LYS 42 HG2 LYS 42 -9.979 3.365 12.005 317 HG3 LYS 42 HG3 LYS 42 -10.321 2.841 13.653 318 HD2 LYS 42 HD2 LYS 42 -7.904 4.452 12.813 319 HD3 LYS 42 HD3 LYS 42 -9.364 5.131 13.540 320 HE2 LYS 42 HE2 LYS 42 -8.996 3.698 15.528 321 HE3 LYS 42 HE3 LYS 42 -7.497 3.119 14.807 322 HZ1 LYS 42 HZ1 LYS 42 -8.118 5.891 15.650 323 HZ2 LYS 42 HZ2 LYS 42 -6.718 5.446 14.806 324 HZ3 LYS 42 HZ3 LYS 42 -6.996 4.836 16.355 325 H SER 43 H SER 43 -8.484 0.275 10.041 326 HA SER 43 HA SER 43 -10.383 1.730 8.533 327 HB2 SER 43 HB2 SER 43 -8.110 1.361 7.720 328 HB3 SER 43 HB3 SER 43 -8.377 -0.375 7.669 329 HG SER 43 HG SER 43 -9.910 1.488 6.164 330 H TYR 44 H TYR 44 -9.859 -1.779 8.866 331 HA TYR 44 HA TYR 44 -12.116 -2.541 7.360 332 HB2 TYR 44 HB2 TYR 44 -10.188 -3.952 7.846 333 HB3 TYR 44 HB3 TYR 44 -10.701 -4.056 9.523 334 HD1 TYR 44 HD1 TYR 44 -11.258 -5.286 6.148 335 HD2 TYR 44 HD2 TYR 44 -12.774 -5.242 10.111 336 HE1 TYR 44 HE1 TYR 44 -12.693 -7.207 5.605 337 HE2 TYR 44 HE2 TYR 44 -14.211 -7.164 9.596 338 HH TYR 44 HH TYR 44 -13.812 -9.101 6.957 339 H ALA 45 H ALA 45 -11.599 -2.157 10.821 340 HA ALA 45 HA ALA 45 -14.056 -3.146 11.623 341 HB1 ALA 45 HB1 ALA 45 -12.231 -2.660 13.190 342 HB2 ALA 45 HB2 ALA 45 -13.759 -1.945 13.701 343 HB3 ALA 45 HB3 ALA 45 -12.516 -0.933 12.961 344 H ASP 46 H ASP 46 -13.097 -0.047 10.428 345 HA ASP 46 HA ASP 46 -15.523 1.337 11.061 346 HB2 ASP 46 HB2 ASP 46 -13.546 2.631 10.641 347 HB3 ASP 46 HB3 ASP 46 -13.411 1.972 9.013 348 H ARG 47 H ARG 47 -14.352 -0.276 8.148 349 HA ARG 47 HA ARG 47 -16.532 0.430 6.503 350 HB2 ARG 47 HB2 ARG 47 -15.645 -1.047 4.899 351 HB3 ARG 47 HB3 ARG 47 -14.236 -0.543 5.814 352 HG2 ARG 47 HG2 ARG 47 -13.794 -2.764 5.822 353 HG3 ARG 47 HG3 ARG 47 -14.908 -2.764 7.186 354 HD2 ARG 47 HD2 ARG 47 -16.740 -3.109 5.406 355 HD3 ARG 47 HD3 ARG 47 -15.407 -3.556 4.343 356 HE ARG 47 HE ARG 47 -15.121 -5.060 6.651 357 HH11 ARG 47 HH11 ARG 47 -17.420 -4.719 4.026 358 HH12 ARG 47 HH12 ARG 47 -18.067 -6.312 4.208 359 HH21 ARG 47 HH21 ARG 47 -15.982 -7.224 6.881 360 HH22 ARG 47 HH22 ARG 47 -17.258 -7.718 5.827 361 H THR 48 H THR 48 -16.157 -1.978 8.946 362 HA THR 48 HA THR 48 -18.633 -3.285 8.081 363 HB THR 48 HB THR 48 -16.731 -4.797 8.358 364 HG1 THR 48 HG1 THR 48 -18.861 -5.064 10.223 365 HG21 THR 48 HG21 THR 48 -15.802 -5.235 10.593 366 HG22 THR 48 HG22 THR 48 -16.740 -3.881 11.225 367 HG23 THR 48 HG23 THR 48 -15.468 -3.595 10.036 368 H GLY 49 H GLY 49 -17.555 -0.995 10.289 369 HA2 GLY 49 HA2 GLY 49 -18.681 0.128 11.952 370 HA3 GLY 49 HA3 GLY 49 -20.107 -0.796 11.518 371 H VAL 50 H VAL 50 -16.993 -2.016 12.675 372 HA VAL 50 HA VAL 50 -18.424 -3.123 14.997 373 HB VAL 50 HB VAL 50 -17.619 -4.778 13.208 374 HG11 VAL 50 HG11 VAL 50 -15.298 -5.461 13.280 375 HG12 VAL 50 HG12 VAL 50 -14.939 -4.179 14.435 376 HG13 VAL 50 HG13 VAL 50 -15.443 -3.773 12.794 377 HG21 VAL 50 HG21 VAL 50 -16.659 -5.146 16.034 378 HG22 VAL 50 HG22 VAL 50 -16.955 -6.433 14.870 379 HG23 VAL 50 HG23 VAL 50 -18.293 -5.443 15.448 380 H ALA 51 H ALA 51 -17.041 -3.573 16.863 381 HA ALA 51 HA ALA 51 -15.506 -1.424 17.740 382 HB1 ALA 51 HB1 ALA 51 -16.594 -3.015 19.250 383 HB2 ALA 51 HB2 ALA 51 -14.861 -2.947 19.580 384 HB3 ALA 51 HB3 ALA 51 -15.535 -4.300 18.670 385 H VAL 52 H VAL 52 -13.433 -0.902 17.396 386 HA VAL 52 HA VAL 52 -11.825 -2.285 15.536 387 HB VAL 52 HB VAL 52 -11.093 -0.102 17.509 388 HG11 VAL 52 HG11 VAL 52 -9.476 -1.164 15.196 389 HG12 VAL 52 HG12 VAL 52 -9.092 -1.351 16.906 390 HG13 VAL 52 HG13 VAL 52 -9.075 0.251 16.169 391 HG21 VAL 52 HG21 VAL 52 -12.730 0.574 15.840 392 HG22 VAL 52 HG22 VAL 52 -11.676 -0.008 14.553 393 HG23 VAL 52 HG23 VAL 52 -11.180 1.362 15.547 394 H ASN 53 H ASN 53 -11.868 -2.161 19.045 395 HA ASN 53 HA ASN 53 -9.452 -3.582 19.426 396 HB2 ASN 53 HB2 ASN 53 -10.080 -3.745 21.763 397 HB3 ASN 53 HB3 ASN 53 -10.432 -2.131 21.162 398 HD21 ASN 53 HD21 ASN 53 -11.516 -3.460 23.462 399 HD22 ASN 53 HD22 ASN 53 -13.225 -3.559 23.233 400 H SER 54 H SER 54 -12.733 -4.675 18.852 401 HA SER 54 HA SER 54 -11.910 -7.387 19.517 402 HB2 SER 54 HB2 SER 54 -14.276 -8.002 19.307 403 HB3 SER 54 HB3 SER 54 -14.041 -6.700 20.466 404 HG SER 54 HG SER 54 -15.480 -5.727 19.349 405 H LEU 55 H LEU 55 -11.718 -5.468 16.937 406 HA LEU 55 HA LEU 55 -12.176 -7.554 14.945 407 HB2 LEU 55 HB2 LEU 55 -12.929 -5.163 14.591 408 HB3 LEU 55 HB3 LEU 55 -11.247 -4.688 14.592 409 HG LEU 55 HG LEU 55 -12.396 -4.869 12.337 410 HD11 LEU 55 HD11 LEU 55 -9.896 -6.466 12.794 411 HD12 LEU 55 HD12 LEU 55 -10.003 -4.725 12.530 412 HD13 LEU 55 HD13 LEU 55 -10.453 -5.844 11.242 413 HD21 LEU 55 HD21 LEU 55 -13.614 -6.924 12.696 414 HD22 LEU 55 HD22 LEU 55 -12.102 -7.812 12.904 415 HD23 LEU 55 HD23 LEU 55 -12.503 -7.104 11.340 416 H ARG 56 H ARG 56 -10.418 -8.631 13.944 417 HA ARG 56 HA ARG 56 -7.765 -7.727 14.724 418 HB2 ARG 56 HB2 ARG 56 -7.186 -10.141 15.356 419 HB3 ARG 56 HB3 ARG 56 -8.079 -9.179 16.519 420 HG2 ARG 56 HG2 ARG 56 -9.688 -10.832 14.659 421 HG3 ARG 56 HG3 ARG 56 -8.744 -11.691 15.879 422 HD2 ARG 56 HD2 ARG 56 -9.793 -10.412 17.645 423 HD3 ARG 56 HD3 ARG 56 -10.658 -9.431 16.468 424 HE ARG 56 HE ARG 56 -11.523 -11.905 15.876 425 HH11 ARG 56 HH11 ARG 56 -11.226 -10.249 18.956 426 HH12 ARG 56 HH12 ARG 56 -12.619 -10.994 19.654 427 HH21 ARG 56 HH21 ARG 56 -13.403 -12.902 16.796 428 HH22 ARG 56 HH22 ARG 56 -13.858 -12.519 18.423 429 H PHE 57 H PHE 57 -6.149 -8.277 13.432 430 HA PHE 57 HA PHE 57 -6.766 -9.869 11.034 431 HB2 PHE 57 HB2 PHE 57 -5.042 -7.441 11.382 432 HB3 PHE 57 HB3 PHE 57 -4.859 -8.537 10.023 433 HD1 PHE 57 HD1 PHE 57 -7.144 -6.159 11.647 434 HD2 PHE 57 HD2 PHE 57 -6.289 -8.508 8.243 435 HE1 PHE 57 HE1 PHE 57 -8.834 -4.915 10.356 436 HE2 PHE 57 HE2 PHE 57 -7.964 -7.279 6.953 437 HZ PHE 57 HZ PHE 57 -9.235 -5.491 8.006 438 H LEU 58 H LEU 58 -5.290 -11.353 10.383 439 HA LEU 58 HA LEU 58 -2.878 -11.598 12.010 440 HB2 LEU 58 HB2 LEU 58 -4.976 -13.644 11.509 441 HB3 LEU 58 HB3 LEU 58 -3.305 -14.166 11.587 442 HG LEU 58 HG LEU 58 -3.218 -12.954 13.837 443 HD11 LEU 58 HD11 LEU 58 -5.198 -11.640 13.734 444 HD12 LEU 58 HD12 LEU 58 -5.402 -12.824 15.027 445 HD13 LEU 58 HD13 LEU 58 -6.198 -13.063 13.478 446 HD21 LEU 58 HD21 LEU 58 -3.212 -15.379 13.579 447 HD22 LEU 58 HD22 LEU 58 -4.978 -15.380 13.635 448 HD23 LEU 58 HD23 LEU 58 -4.047 -14.855 15.039 449 H PHE 59 H PHE 59 -1.078 -12.021 10.907 450 HA PHE 59 HA PHE 59 -1.472 -12.513 8.035 451 HB2 PHE 59 HB2 PHE 59 -0.366 -10.330 8.715 452 HB3 PHE 59 HB3 PHE 59 1.049 -11.197 9.237 453 HD1 PHE 59 HD1 PHE 59 0.558 -9.064 6.924 454 HD2 PHE 59 HD2 PHE 59 0.977 -13.312 6.984 455 HE1 PHE 59 HE1 PHE 59 1.306 -9.040 4.585 456 HE2 PHE 59 HE2 PHE 59 1.746 -13.269 4.656 457 HZ PHE 59 HZ PHE 59 1.908 -11.131 3.452 458 H ASP 60 H ASP 60 -1.069 -14.504 7.462 459 HA ASP 60 HA ASP 60 -0.225 -16.614 7.372 460 HB2 ASP 60 HB2 ASP 60 1.949 -15.447 7.164 461 HB3 ASP 60 HB3 ASP 60 2.120 -15.470 8.910 462 H GLY 61 H GLY 61 -1.738 -15.510 9.709 463 HA2 GLY 61 HA2 GLY 61 -2.923 -16.825 11.264 464 HA3 GLY 61 HA3 GLY 61 -1.618 -17.997 11.219 465 H ARG 62 H ARG 62 -0.405 -14.876 11.558 466 HA ARG 62 HA ARG 62 -0.328 -15.260 14.452 467 HB2 ARG 62 HB2 ARG 62 1.910 -14.193 14.434 468 HB3 ARG 62 HB3 ARG 62 1.839 -15.699 13.529 469 HG2 ARG 62 HG2 ARG 62 3.047 -14.461 12.084 470 HG3 ARG 62 HG3 ARG 62 1.426 -14.053 11.520 471 HD2 ARG 62 HD2 ARG 62 2.416 -11.966 11.682 472 HD3 ARG 62 HD3 ARG 62 1.603 -12.119 13.238 473 HE ARG 62 HE ARG 62 4.320 -13.064 13.268 474 HH11 ARG 62 HH11 ARG 62 2.201 -10.357 13.621 475 HH12 ARG 62 HH12 ARG 62 3.332 -9.376 14.482 476 HH21 ARG 62 HH21 ARG 62 5.903 -11.763 14.387 477 HH22 ARG 62 HH22 ARG 62 5.451 -10.167 14.892 478 H ARG 63 H ARG 63 -0.337 -13.435 15.768 479 HA ARG 63 HA ARG 63 -2.256 -11.535 14.949 480 HB2 ARG 63 HB2 ARG 63 -0.483 -11.532 17.401 481 HB3 ARG 63 HB3 ARG 63 -1.902 -10.520 17.175 482 HG2 ARG 63 HG2 ARG 63 -1.908 -13.534 17.288 483 HG3 ARG 63 HG3 ARG 63 -2.366 -12.454 18.608 484 HD2 ARG 63 HD2 ARG 63 -4.170 -11.549 17.248 485 HD3 ARG 63 HD3 ARG 63 -3.689 -12.589 15.910 486 HE ARG 63 HE ARG 63 -4.606 -14.415 17.012 487 HH11 ARG 63 HH11 ARG 63 -4.864 -11.538 19.014 488 HH12 ARG 63 HH12 ARG 63 -6.051 -12.232 20.063 489 HH21 ARG 63 HH21 ARG 63 -6.187 -15.307 18.385 490 HH22 ARG 63 HH22 ARG 63 -6.805 -14.376 19.705 491 H ILE 64 H ILE 64 -2.107 -9.535 14.206 492 HA ILE 64 HA ILE 64 0.560 -8.586 13.457 493 HB ILE 64 HB ILE 64 -2.185 -7.598 12.643 494 HG12 ILE 64 HG12 ILE 64 -0.143 -9.145 11.037 495 HG13 ILE 64 HG13 ILE 64 -1.543 -9.868 11.821 496 HG21 ILE 64 HG21 ILE 64 -0.565 -5.786 12.553 497 HG22 ILE 64 HG22 ILE 64 -1.008 -6.288 10.922 498 HG23 ILE 64 HG23 ILE 64 0.535 -6.790 11.612 499 HD11 ILE 64 HD11 ILE 64 -2.984 -8.381 10.448 500 HD12 ILE 64 HD12 ILE 64 -2.058 -9.554 9.517 501 HD13 ILE 64 HD13 ILE 64 -1.541 -7.866 9.577 502 H ASN 65 H ASN 65 1.589 -7.169 14.666 503 HA ASN 65 HA ASN 65 0.015 -5.222 16.207 504 HB2 ASN 65 HB2 ASN 65 2.796 -6.271 16.797 505 HB3 ASN 65 HB3 ASN 65 1.934 -5.066 17.745 506 HD21 ASN 65 HD21 ASN 65 0.051 -5.721 18.891 507 HD22 ASN 65 HD22 ASN 65 -0.152 -7.370 19.365 508 H ASP 66 H ASP 66 1.138 -3.122 16.520 509 HA ASP 66 HA ASP 66 1.857 -2.030 13.990 510 HB2 ASP 66 HB2 ASP 66 2.113 0.076 15.206 511 HB3 ASP 66 HB3 ASP 66 0.645 -0.753 15.709 512 H ASP 67 H ASP 67 3.583 -3.569 16.433 513 HA ASP 67 HA ASP 67 6.150 -2.270 16.114 514 HB2 ASP 67 HB2 ASP 67 5.440 -3.145 18.278 515 HB3 ASP 67 HB3 ASP 67 5.303 -4.760 17.602 516 H ASP 68 H ASP 68 4.445 -4.747 14.589 517 HA ASP 68 HA ASP 68 6.597 -6.510 14.065 518 HB2 ASP 68 HB2 ASP 68 3.779 -6.450 13.151 519 HB3 ASP 68 HB3 ASP 68 4.928 -7.671 12.592 520 H THR 69 H THR 69 6.701 -7.443 11.621 521 HA THR 69 HA THR 69 8.142 -5.247 10.333 522 HB THR 69 HB THR 69 9.323 -7.088 9.138 523 HG1 THR 69 HG1 THR 69 8.831 -9.223 10.390 524 HG21 THR 69 HG21 THR 69 9.266 -7.380 12.145 525 HG22 THR 69 HG22 THR 69 10.253 -6.235 11.237 526 HG23 THR 69 HG23 THR 69 10.544 -7.968 11.084 527 HA PRO 70 HA PRO 70 5.473 -4.748 6.878 528 HB2 PRO 70 HB2 PRO 70 7.172 -5.297 4.729 529 HB3 PRO 70 HB3 PRO 70 6.989 -3.743 5.536 530 HG2 PRO 70 HG2 PRO 70 9.058 -5.855 5.979 531 HG3 PRO 70 HG3 PRO 70 9.246 -4.093 5.933 532 HD2 PRO 70 HD2 PRO 70 9.234 -5.355 8.257 533 HD3 PRO 70 HD3 PRO 70 8.349 -3.825 8.078 534 H LYS 71 H LYS 71 7.249 -7.782 6.986 535 HA LYS 71 HA LYS 71 5.534 -8.917 5.032 536 HB2 LYS 71 HB2 LYS 71 6.630 -11.096 5.567 537 HB3 LYS 71 HB3 LYS 71 7.731 -9.822 5.087 538 HG2 LYS 71 HG2 LYS 71 8.777 -10.974 6.855 539 HG3 LYS 71 HG3 LYS 71 8.193 -9.460 7.538 540 HD2 LYS 71 HD2 LYS 71 7.827 -11.492 8.973 541 HD3 LYS 71 HD3 LYS 71 6.372 -10.562 8.617 542 HE2 LYS 71 HE2 LYS 71 5.617 -12.128 7.051 543 HE3 LYS 71 HE3 LYS 71 7.182 -12.952 6.977 544 HZ1 LYS 71 HZ1 LYS 71 5.305 -12.909 9.277 545 HZ2 LYS 71 HZ2 LYS 71 6.823 -13.636 9.301 546 HZ3 LYS 71 HZ3 LYS 71 5.621 -14.228 8.272 547 H THR 72 H THR 72 5.156 -8.567 8.332 548 HA THR 72 HA THR 72 2.956 -10.481 8.272 549 HB THR 72 HB THR 72 4.145 -11.052 10.205 550 HG1 THR 72 HG1 THR 72 1.951 -9.396 10.662 551 HG21 THR 72 HG21 THR 72 4.452 -8.119 10.799 552 HG22 THR 72 HG22 THR 72 5.715 -9.204 10.218 553 HG23 THR 72 HG23 THR 72 5.021 -9.441 11.823 554 H LEU 73 H LEU 73 3.865 -7.563 7.788 555 HA LEU 73 HA LEU 73 1.662 -6.103 8.913 556 HB2 LEU 73 HB2 LEU 73 4.210 -5.678 7.741 557 HB3 LEU 73 HB3 LEU 73 3.114 -4.299 7.964 558 HG LEU 73 HG LEU 73 4.713 -5.711 9.978 559 HD11 LEU 73 HD11 LEU 73 4.359 -3.673 11.268 560 HD12 LEU 73 HD12 LEU 73 3.200 -3.116 10.060 561 HD13 LEU 73 HD13 LEU 73 4.895 -3.332 9.623 562 HD21 LEU 73 HD21 LEU 73 1.771 -5.292 10.566 563 HD22 LEU 73 HD22 LEU 73 2.986 -5.694 11.757 564 HD23 LEU 73 HD23 LEU 73 2.602 -6.857 10.472 565 H GLU 74 H GLU 74 1.565 -7.761 6.391 566 HA GLU 74 HA GLU 74 0.080 -7.487 4.635 567 HB2 GLU 74 HB2 GLU 74 0.110 -4.975 5.966 568 HB3 GLU 74 HB3 GLU 74 -0.661 -4.992 4.370 569 HG2 GLU 74 HG2 GLU 74 -2.091 -6.891 5.324 570 HG3 GLU 74 HG3 GLU 74 -1.419 -6.475 6.897 571 H MET 75 H MET 75 2.342 -7.766 4.050 572 HA MET 75 HA MET 75 3.941 -6.263 2.629 573 HB2 MET 75 HB2 MET 75 3.000 -8.967 1.881 574 HB3 MET 75 HB3 MET 75 4.447 -8.170 1.250 575 HG2 MET 75 HG2 MET 75 5.263 -7.878 3.560 576 HG3 MET 75 HG3 MET 75 3.875 -8.725 4.151 577 HE1 MET 75 HE1 MET 75 6.173 -9.456 0.967 578 HE2 MET 75 HE2 MET 75 7.248 -10.674 1.653 579 HE3 MET 75 HE3 MET 75 7.264 -9.027 2.285 580 H GLU 76 H GLU 76 4.001 -6.968 -0.075 581 HA GLU 76 HA GLU 76 3.195 -4.323 -0.671 582 HB2 GLU 76 HB2 GLU 76 4.499 -4.671 -2.696 583 HB3 GLU 76 HB3 GLU 76 5.391 -5.041 -1.228 584 HG2 GLU 76 HG2 GLU 76 4.973 -7.428 -1.597 585 HG3 GLU 76 HG3 GLU 76 4.133 -7.030 -3.096 586 H ASP 77 H ASP 77 2.811 -4.189 -3.229 587 HA ASP 77 HA ASP 77 0.177 -4.046 -3.371 588 HB2 ASP 77 HB2 ASP 77 1.757 -3.128 -5.037 589 HB3 ASP 77 HB3 ASP 77 1.806 -4.718 -5.798 590 H ASP 78 H ASP 78 -0.926 -5.511 -2.577 591 HA ASP 78 HA ASP 78 -2.717 -6.855 -2.885 592 HB2 ASP 78 HB2 ASP 78 -2.410 -6.535 -5.354 593 HB3 ASP 78 HB3 ASP 78 -1.430 -7.998 -5.351 594 H ASP 79 H ASP 79 -0.238 -7.443 -1.330 595 HA ASP 79 HA ASP 79 -0.017 -10.281 -1.407 596 HB2 ASP 79 HB2 ASP 79 1.510 -8.486 -0.172 597 HB3 ASP 79 HB3 ASP 79 0.442 -8.836 1.176 598 H VAL 80 H VAL 80 -0.569 -11.349 0.993 599 HA VAL 80 HA VAL 80 -3.507 -11.194 0.956 600 HB VAL 80 HB VAL 80 -3.495 -13.596 1.562 601 HG11 VAL 80 HG11 VAL 80 -1.988 -12.835 -0.939 602 HG12 VAL 80 HG12 VAL 80 -3.740 -12.933 -0.759 603 HG13 VAL 80 HG13 VAL 80 -2.761 -14.398 -0.664 604 HG21 VAL 80 HG21 VAL 80 -1.332 -13.741 2.642 605 HG22 VAL 80 HG22 VAL 80 -0.522 -13.300 1.141 606 HG23 VAL 80 HG23 VAL 80 -1.365 -14.848 1.266 607 H ILE 81 H ILE 81 -4.666 -11.574 2.830 608 HA ILE 81 HA ILE 81 -3.273 -11.462 5.395 609 HB ILE 81 HB ILE 81 -4.972 -9.364 4.210 610 HG12 ILE 81 HG12 ILE 81 -2.615 -9.013 4.678 611 HG13 ILE 81 HG13 ILE 81 -3.629 -7.922 5.621 612 HG21 ILE 81 HG21 ILE 81 -5.877 -8.572 6.316 613 HG22 ILE 81 HG22 ILE 81 -5.287 -10.028 7.125 614 HG23 ILE 81 HG23 ILE 81 -6.528 -10.150 5.875 615 HD11 ILE 81 HD11 ILE 81 -1.830 -8.733 6.983 616 HD12 ILE 81 HD12 ILE 81 -2.252 -10.403 6.621 617 HD13 ILE 81 HD13 ILE 81 -3.351 -9.402 7.569 618 H GLU 82 H GLU 82 -4.394 -12.325 7.159 619 HA GLU 82 HA GLU 82 -6.845 -13.791 6.462 620 HB2 GLU 82 HB2 GLU 82 -4.697 -14.385 8.487 621 HB3 GLU 82 HB3 GLU 82 -6.186 -15.296 8.332 622 HG2 GLU 82 HG2 GLU 82 -4.357 -14.977 5.989 623 HG3 GLU 82 HG3 GLU 82 -4.049 -16.211 7.215 624 H VAL 83 H VAL 83 -8.576 -13.545 7.756 625 HA VAL 83 HA VAL 83 -8.293 -11.786 10.092 626 HB VAL 83 HB VAL 83 -10.530 -11.710 8.060 627 HG11 VAL 83 HG11 VAL 83 -11.543 -9.967 9.456 628 HG12 VAL 83 HG12 VAL 83 -10.286 -10.204 10.671 629 HG13 VAL 83 HG13 VAL 83 -11.443 -11.494 10.335 630 HG21 VAL 83 HG21 VAL 83 -8.443 -10.508 7.528 631 HG22 VAL 83 HG22 VAL 83 -8.694 -9.552 9.002 632 HG23 VAL 83 HG23 VAL 83 -9.869 -9.482 7.684 633 H TYR 84 H TYR 84 -9.141 -12.471 11.864 634 HA TYR 84 HA TYR 84 -10.837 -14.822 11.733 635 HB2 TYR 84 HB2 TYR 84 -9.175 -13.629 13.939 636 HB3 TYR 84 HB3 TYR 84 -10.383 -14.878 14.240 637 HD1 TYR 84 HD1 TYR 84 -7.241 -14.147 12.458 638 HD2 TYR 84 HD2 TYR 84 -9.996 -17.124 13.652 639 HE1 TYR 84 HE1 TYR 84 -5.631 -15.870 11.782 640 HE2 TYR 84 HE2 TYR 84 -8.400 -18.886 12.982 641 HH TYR 84 HH TYR 84 -6.453 -19.071 11.354 642 H GLN 85 H GLN 85 -12.826 -14.818 12.780 643 HA GLN 85 HA GLN 85 -14.066 -12.403 11.974 644 HB2 GLN 85 HB2 GLN 85 -14.918 -14.804 11.725 645 HB3 GLN 85 HB3 GLN 85 -15.497 -14.630 13.375 646 HG2 GLN 85 HG2 GLN 85 -17.056 -13.024 12.796 647 HG3 GLN 85 HG3 GLN 85 -16.221 -12.609 11.299 648 HE21 GLN 85 HE21 GLN 85 -17.941 -12.927 9.965 649 HE22 GLN 85 HE22 GLN 85 -18.621 -14.481 9.634 650 H GLU 86 H GLU 86 -14.736 -10.763 12.971 651 HA GLU 86 HA GLU 86 -13.837 -10.182 15.553 652 HB2 GLU 86 HB2 GLU 86 -14.963 -8.022 15.214 653 HB3 GLU 86 HB3 GLU 86 -13.937 -8.492 13.870 654 HG2 GLU 86 HG2 GLU 86 -16.837 -9.132 13.743 655 HG3 GLU 86 HG3 GLU 86 -16.323 -7.471 13.493 656 H GLN 87 H GLN 87 -15.091 -9.280 17.288 657 HA GLN 87 HA GLN 87 -16.829 -11.271 18.291 658 HB2 GLN 87 HB2 GLN 87 -15.268 -9.990 19.664 659 HB3 GLN 87 HB3 GLN 87 -16.182 -8.526 19.340 660 HG2 GLN 87 HG2 GLN 87 -16.691 -9.354 21.524 661 HG3 GLN 87 HG3 GLN 87 -18.109 -9.483 20.484 662 HE21 GLN 87 HE21 GLN 87 -19.022 -11.093 21.751 663 HE22 GLN 87 HE22 GLN 87 -18.408 -12.711 21.775 664 H LEU 88 H LEU 88 -17.401 -7.957 17.200 665 HA LEU 88 HA LEU 88 -20.256 -8.340 17.696 666 HB2 LEU 88 HB2 LEU 88 -18.655 -5.825 17.358 667 HB3 LEU 88 HB3 LEU 88 -20.391 -5.869 17.624 668 HG LEU 88 HG LEU 88 -18.264 -6.810 19.551 669 HD11 LEU 88 HD11 LEU 88 -18.933 -4.897 20.891 670 HD12 LEU 88 HD12 LEU 88 -20.076 -4.407 19.641 671 HD13 LEU 88 HD13 LEU 88 -18.343 -4.385 19.311 672 HD21 LEU 88 HD21 LEU 88 -21.264 -6.665 19.857 673 HD22 LEU 88 HD22 LEU 88 -20.120 -7.038 21.146 674 HD23 LEU 88 HD23 LEU 88 -20.290 -8.135 19.778 675 H GLY 89 H GLY 89 -18.281 -8.754 15.219 676 HA2 GLY 89 HA2 GLY 89 -20.206 -7.630 13.288 677 HA3 GLY 89 HA3 GLY 89 -18.475 -7.667 12.981 678 H GLY 90 H GLY 90 -18.534 -8.933 11.183 679 HA2 GLY 90 HA2 GLY 90 -18.161 -11.093 10.353 680 HA3 GLY 90 HA3 GLY 90 -19.073 -11.749 11.706 Start of MODEL 19 1 H MET 1 H MET 1 15.423 5.549 -9.705 2 HA MET 1 HA MET 1 18.347 5.279 -10.060 3 HB2 MET 1 HB2 MET 1 17.575 7.530 -10.628 4 HB3 MET 1 HB3 MET 1 16.715 7.632 -9.100 5 HG2 MET 1 HG2 MET 1 18.786 8.874 -9.000 6 HG3 MET 1 HG3 MET 1 18.834 7.502 -7.896 7 HE1 MET 1 HE1 MET 1 20.225 9.145 -11.117 8 HE2 MET 1 HE2 MET 1 19.387 7.761 -11.820 9 HE3 MET 1 HE3 MET 1 21.147 7.843 -11.867 10 H ALA 2 H ALA 2 18.831 3.769 -8.590 11 HA ALA 2 HA ALA 2 19.132 2.721 -6.594 12 HB1 ALA 2 HB1 ALA 2 19.710 4.154 -4.731 13 HB2 ALA 2 HB2 ALA 2 18.914 5.523 -5.509 14 HB3 ALA 2 HB3 ALA 2 20.360 4.817 -6.232 15 H ASP 3 H ASP 3 16.541 2.484 -7.380 16 HA ASP 3 HA ASP 3 14.420 2.051 -6.730 17 HB2 ASP 3 HB2 ASP 3 15.671 0.439 -5.274 18 HB3 ASP 3 HB3 ASP 3 15.594 1.624 -3.974 19 H ASP 4 H ASP 4 14.630 4.606 -7.007 20 HA ASP 4 HA ASP 4 13.981 6.229 -4.803 21 HB2 ASP 4 HB2 ASP 4 14.686 7.115 -7.008 22 HB3 ASP 4 HB3 ASP 4 13.151 6.590 -7.689 23 H ALA 5 H ALA 5 12.073 4.359 -7.056 24 HA ALA 5 HA ALA 5 10.013 3.467 -6.978 25 HB1 ALA 5 HB1 ALA 5 10.627 2.788 -4.689 26 HB2 ALA 5 HB2 ALA 5 8.903 3.122 -4.853 27 HB3 ALA 5 HB3 ALA 5 9.960 4.302 -4.079 28 H ALA 6 H ALA 6 10.360 6.166 -7.842 29 HA ALA 6 HA ALA 6 8.232 7.794 -6.913 30 HB1 ALA 6 HB1 ALA 6 10.085 8.710 -8.241 31 HB2 ALA 6 HB2 ALA 6 8.538 9.028 -9.024 32 HB3 ALA 6 HB3 ALA 6 9.580 7.738 -9.625 33 H GLN 7 H GLN 7 6.095 7.607 -7.297 34 HA GLN 7 HA GLN 7 4.184 6.560 -7.750 35 HB2 GLN 7 HB2 GLN 7 5.431 6.543 -10.447 36 HB3 GLN 7 HB3 GLN 7 3.778 6.031 -10.138 37 HG2 GLN 7 HG2 GLN 7 3.533 8.238 -10.843 38 HG3 GLN 7 HG3 GLN 7 3.471 8.338 -9.083 39 HE21 GLN 7 HE21 GLN 7 4.144 10.436 -8.958 40 HE22 GLN 7 HE22 GLN 7 5.749 10.947 -9.365 41 H ALA 8 H ALA 8 4.418 4.864 -6.537 42 HA ALA 8 HA ALA 8 5.820 2.475 -7.343 43 HB1 ALA 8 HB1 ALA 8 4.029 2.936 -4.963 44 HB2 ALA 8 HB2 ALA 8 5.777 3.174 -4.996 45 HB3 ALA 8 HB3 ALA 8 5.102 1.557 -5.203 46 H GLY 9 H GLY 9 2.987 3.703 -8.275 47 HA2 GLY 9 HA2 GLY 9 1.765 2.215 -9.855 48 HA3 GLY 9 HA3 GLY 9 1.712 1.063 -8.525 49 H ASP 10 H ASP 10 1.454 3.728 -6.949 50 HA ASP 10 HA ASP 10 -1.326 4.401 -7.486 51 HB2 ASP 10 HB2 ASP 10 -1.100 2.442 -5.754 52 HB3 ASP 10 HB3 ASP 10 -0.566 3.713 -4.657 53 H ASN 11 H ASN 11 -1.944 6.210 -5.799 54 HA ASN 11 HA ASN 11 0.346 8.060 -5.772 55 HB2 ASN 11 HB2 ASN 11 -1.856 8.638 -6.983 56 HB3 ASN 11 HB3 ASN 11 -2.534 8.851 -5.372 57 HD21 ASN 11 HD21 ASN 11 -2.890 11.037 -5.601 58 HD22 ASN 11 HD22 ASN 11 -1.612 12.196 -5.683 59 H ALA 12 H ALA 12 -0.704 5.916 -3.801 60 HA ALA 12 HA ALA 12 -0.013 7.408 -1.468 61 HB1 ALA 12 HB1 ALA 12 -2.423 7.781 -1.682 62 HB2 ALA 12 HB2 ALA 12 -1.997 6.856 -0.236 63 HB3 ALA 12 HB3 ALA 12 -2.678 6.036 -1.647 64 H GLU 13 H GLU 13 0.258 5.989 0.344 65 HA GLU 13 HA GLU 13 1.306 3.442 -0.575 66 HB2 GLU 13 HB2 GLU 13 2.501 3.474 1.618 67 HB3 GLU 13 HB3 GLU 13 2.866 4.823 0.548 68 HG2 GLU 13 HG2 GLU 13 0.749 5.155 2.623 69 HG3 GLU 13 HG3 GLU 13 2.443 5.235 3.108 70 H TYR 14 H TYR 14 -1.336 3.279 -0.501 71 HA TYR 14 HA TYR 14 -1.818 1.732 1.936 72 HB2 TYR 14 HB2 TYR 14 -3.821 3.512 0.565 73 HB3 TYR 14 HB3 TYR 14 -4.216 2.359 1.830 74 HD1 TYR 14 HD1 TYR 14 -2.640 5.565 1.101 75 HD2 TYR 14 HD2 TYR 14 -3.480 2.710 4.122 76 HE1 TYR 14 HE1 TYR 14 -2.080 7.226 2.827 77 HE2 TYR 14 HE2 TYR 14 -2.934 4.361 5.853 78 HH TYR 14 HH TYR 14 -2.596 7.661 5.199 79 H ILE 15 H ILE 15 -3.296 0.058 1.825 80 HA ILE 15 HA ILE 15 -3.494 -1.210 -0.824 81 HB ILE 15 HB ILE 15 -2.855 -3.316 0.147 82 HG12 ILE 15 HG12 ILE 15 -2.797 -1.868 2.795 83 HG13 ILE 15 HG13 ILE 15 -3.983 -3.063 2.257 84 HG21 ILE 15 HG21 ILE 15 -1.011 -1.915 -0.517 85 HG22 ILE 15 HG22 ILE 15 -0.578 -2.898 0.882 86 HG23 ILE 15 HG23 ILE 15 -0.968 -1.190 1.089 87 HD11 ILE 15 HD11 ILE 15 -1.058 -3.616 2.653 88 HD12 ILE 15 HD12 ILE 15 -2.327 -4.783 2.257 89 HD13 ILE 15 HD13 ILE 15 -2.328 -3.965 3.825 90 H LYS 16 H LYS 16 -5.139 -2.916 -0.813 91 HA LYS 16 HA LYS 16 -7.467 -2.107 0.760 92 HB2 LYS 16 HB2 LYS 16 -7.093 -3.911 -1.586 93 HB3 LYS 16 HB3 LYS 16 -8.634 -3.776 -0.746 94 HG2 LYS 16 HG2 LYS 16 -8.776 -1.447 -1.306 95 HG3 LYS 16 HG3 LYS 16 -7.168 -1.495 -2.029 96 HD2 LYS 16 HD2 LYS 16 -8.904 -1.586 -3.758 97 HD3 LYS 16 HD3 LYS 16 -7.951 -3.068 -3.728 98 HE2 LYS 16 HE2 LYS 16 -10.301 -3.591 -3.996 99 HE3 LYS 16 HE3 LYS 16 -9.736 -4.165 -2.432 100 HZ1 LYS 16 HZ1 LYS 16 -11.266 -1.667 -2.910 101 HZ2 LYS 16 HZ2 LYS 16 -10.750 -2.223 -1.404 102 HZ3 LYS 16 HZ3 LYS 16 -11.895 -3.100 -2.286 103 H ILE 17 H ILE 17 -8.550 -3.436 2.149 104 HA ILE 17 HA ILE 17 -7.564 -6.171 2.489 105 HB ILE 17 HB ILE 17 -7.976 -4.169 4.703 106 HG12 ILE 17 HG12 ILE 17 -5.765 -4.180 3.668 107 HG13 ILE 17 HG13 ILE 17 -5.688 -4.786 5.319 108 HG21 ILE 17 HG21 ILE 17 -9.097 -6.196 5.377 109 HG22 ILE 17 HG22 ILE 17 -7.603 -6.006 6.293 110 HG23 ILE 17 HG23 ILE 17 -7.680 -7.155 4.955 111 HD11 ILE 17 HD11 ILE 17 -4.273 -6.112 3.891 112 HD12 ILE 17 HD12 ILE 17 -5.612 -6.428 2.792 113 HD13 ILE 17 HD13 ILE 17 -5.639 -7.092 4.426 114 H LYS 18 H LYS 18 -9.090 -7.651 2.571 115 HA LYS 18 HA LYS 18 -11.849 -6.696 2.805 116 HB2 LYS 18 HB2 LYS 18 -11.184 -9.524 2.106 117 HB3 LYS 18 HB3 LYS 18 -12.545 -8.546 1.610 118 HG2 LYS 18 HG2 LYS 18 -10.897 -7.223 0.146 119 HG3 LYS 18 HG3 LYS 18 -9.752 -8.508 0.516 120 HD2 LYS 18 HD2 LYS 18 -12.462 -8.943 -0.731 121 HD3 LYS 18 HD3 LYS 18 -10.937 -8.878 -1.615 122 HE2 LYS 18 HE2 LYS 18 -10.123 -10.800 -0.345 123 HE3 LYS 18 HE3 LYS 18 -11.646 -10.857 0.544 124 HZ1 LYS 18 HZ1 LYS 18 -11.398 -11.180 -2.390 125 HZ2 LYS 18 HZ2 LYS 18 -12.805 -11.369 -1.474 126 HZ3 LYS 18 HZ3 LYS 18 -11.524 -12.456 -1.294 127 H VAL 19 H VAL 19 -12.476 -6.699 4.865 128 HA VAL 19 HA VAL 19 -11.492 -8.628 6.766 129 HB VAL 19 HB VAL 19 -13.634 -6.493 6.985 130 HG11 VAL 19 HG11 VAL 19 -14.001 -8.354 8.556 131 HG12 VAL 19 HG12 VAL 19 -13.604 -6.839 9.363 132 HG13 VAL 19 HG13 VAL 19 -12.377 -8.102 9.200 133 HG21 VAL 19 HG21 VAL 19 -10.795 -6.537 8.012 134 HG22 VAL 19 HG22 VAL 19 -11.973 -5.259 8.308 135 HG23 VAL 19 HG23 VAL 19 -11.398 -5.568 6.669 136 H VAL 20 H VAL 20 -12.343 -10.613 6.886 137 HA VAL 20 HA VAL 20 -15.105 -10.967 5.958 138 HB VAL 20 HB VAL 20 -12.891 -13.022 6.086 139 HG11 VAL 20 HG11 VAL 20 -14.431 -14.456 4.840 140 HG12 VAL 20 HG12 VAL 20 -15.677 -13.211 4.947 141 HG13 VAL 20 HG13 VAL 20 -15.093 -14.004 6.411 142 HG21 VAL 20 HG21 VAL 20 -14.098 -11.631 3.696 143 HG22 VAL 20 HG22 VAL 20 -12.901 -12.925 3.643 144 HG23 VAL 20 HG23 VAL 20 -12.481 -11.362 4.343 145 H GLY 21 H GLY 21 -16.498 -11.276 7.506 146 HA2 GLY 21 HA2 GLY 21 -15.623 -12.210 10.112 147 HA3 GLY 21 HA3 GLY 21 -17.240 -11.664 9.693 148 H GLN 22 H GLN 22 -17.025 -13.875 11.212 149 HA GLN 22 HA GLN 22 -16.826 -16.287 9.733 150 HB2 GLN 22 HB2 GLN 22 -18.032 -15.729 12.432 151 HB3 GLN 22 HB3 GLN 22 -17.796 -17.331 11.761 152 HG2 GLN 22 HG2 GLN 22 -15.630 -15.335 12.372 153 HG3 GLN 22 HG3 GLN 22 -16.042 -16.740 13.352 154 HE21 GLN 22 HE21 GLN 22 -13.562 -15.968 11.971 155 HE22 GLN 22 HE22 GLN 22 -13.153 -17.316 10.965 156 H ASP 23 H ASP 23 -19.281 -14.065 10.245 157 HA ASP 23 HA ASP 23 -21.446 -15.837 9.551 158 HB2 ASP 23 HB2 ASP 23 -21.373 -12.821 9.774 159 HB3 ASP 23 HB3 ASP 23 -22.823 -13.802 9.610 160 H SER 24 H SER 24 -18.999 -15.053 7.833 161 HA SER 24 HA SER 24 -18.495 -14.855 5.636 162 HB2 SER 24 HB2 SER 24 -21.474 -15.226 5.210 163 HB3 SER 24 HB3 SER 24 -20.248 -15.300 3.944 164 HG SER 24 HG SER 24 -20.895 -17.144 5.921 165 H ASN 25 H ASN 25 -19.151 -12.626 7.329 166 HA ASN 25 HA ASN 25 -20.303 -10.686 5.453 167 HB2 ASN 25 HB2 ASN 25 -19.529 -10.409 8.357 168 HB3 ASN 25 HB3 ASN 25 -20.150 -9.087 7.381 169 HD21 ASN 25 HD21 ASN 25 -21.265 -10.236 9.792 170 HD22 ASN 25 HD22 ASN 25 -22.844 -10.803 9.385 171 H GLU 26 H GLU 26 -18.839 -10.119 4.026 172 HA GLU 26 HA GLU 26 -16.152 -9.414 4.934 173 HB2 GLU 26 HB2 GLU 26 -16.155 -11.054 3.166 174 HB3 GLU 26 HB3 GLU 26 -17.168 -10.030 2.151 175 HG2 GLU 26 HG2 GLU 26 -15.327 -8.388 2.059 176 HG3 GLU 26 HG3 GLU 26 -14.336 -9.477 3.027 177 H VAL 27 H VAL 27 -15.374 -7.444 4.785 178 HA VAL 27 HA VAL 27 -16.846 -5.378 3.322 179 HB VAL 27 HB VAL 27 -17.594 -5.200 5.656 180 HG11 VAL 27 HG11 VAL 27 -14.682 -4.909 6.302 181 HG12 VAL 27 HG12 VAL 27 -15.730 -6.262 6.745 182 HG13 VAL 27 HG13 VAL 27 -16.014 -4.661 7.434 183 HG21 VAL 27 HG21 VAL 27 -17.388 -3.128 4.425 184 HG22 VAL 27 HG22 VAL 27 -15.683 -3.007 4.858 185 HG23 VAL 27 HG23 VAL 27 -16.922 -2.866 6.106 186 H HIS 28 H HIS 28 -15.582 -3.746 2.490 187 HA HIS 28 HA HIS 28 -12.759 -4.512 2.427 188 HB2 HIS 28 HB2 HIS 28 -14.452 -3.001 0.468 189 HB3 HIS 28 HB3 HIS 28 -12.700 -3.105 0.327 190 HD2 HIS 28 HD2 HIS 28 -14.234 -6.413 1.455 191 HE1 HIS 28 HE1 HIS 28 -13.709 -6.693 -2.733 192 HE2 HIS 28 HE2 HIS 28 -14.336 -7.926 -0.626 193 H PHE 29 H PHE 29 -11.457 -3.413 3.565 194 HA PHE 29 HA PHE 29 -11.852 -0.515 3.885 195 HB2 PHE 29 HB2 PHE 29 -10.496 -2.520 5.668 196 HB3 PHE 29 HB3 PHE 29 -10.298 -0.791 5.852 197 HD1 PHE 29 HD1 PHE 29 -12.347 -3.644 6.519 198 HD2 PHE 29 HD2 PHE 29 -12.303 0.602 6.390 199 HE1 PHE 29 HE1 PHE 29 -14.348 -3.584 7.906 200 HE2 PHE 29 HE2 PHE 29 -14.319 0.664 7.791 201 HZ PHE 29 HZ PHE 29 -15.338 -1.444 8.550 202 H ARG 30 H ARG 30 -10.126 0.817 3.518 203 HA ARG 30 HA ARG 30 -7.820 -0.480 2.295 204 HB2 ARG 30 HB2 ARG 30 -8.917 1.114 0.838 205 HB3 ARG 30 HB3 ARG 30 -8.792 2.367 2.064 206 HG2 ARG 30 HG2 ARG 30 -6.475 2.545 1.807 207 HG3 ARG 30 HG3 ARG 30 -6.368 1.025 0.918 208 HD2 ARG 30 HD2 ARG 30 -6.148 2.927 -0.569 209 HD3 ARG 30 HD3 ARG 30 -7.610 2.005 -0.920 210 HE ARG 30 HE ARG 30 -8.149 4.154 0.867 211 HH11 ARG 30 HH11 ARG 30 -7.573 3.444 -2.523 212 HH12 ARG 30 HH12 ARG 30 -8.460 4.810 -3.094 213 HH21 ARG 30 HH21 ARG 30 -9.340 5.949 0.121 214 HH22 ARG 30 HH22 ARG 30 -9.470 6.256 -1.576 215 H VAL 31 H VAL 31 -5.996 -0.495 3.306 216 HA VAL 31 HA VAL 31 -5.520 1.293 5.596 217 HB VAL 31 HB VAL 31 -4.675 -0.548 6.949 218 HG11 VAL 31 HG11 VAL 31 -6.986 0.066 7.279 219 HG12 VAL 31 HG12 VAL 31 -6.811 -1.680 7.461 220 HG13 VAL 31 HG13 VAL 31 -7.491 -1.011 5.976 221 HG21 VAL 31 HG21 VAL 31 -3.958 -2.050 5.183 222 HG22 VAL 31 HG22 VAL 31 -5.637 -2.340 4.728 223 HG23 VAL 31 HG23 VAL 31 -5.041 -2.882 6.297 224 H LYS 32 H LYS 32 -3.144 0.806 6.345 225 HA LYS 32 HA LYS 32 -1.571 1.197 3.938 226 HB2 LYS 32 HB2 LYS 32 -1.495 2.638 6.094 227 HB3 LYS 32 HB3 LYS 32 -0.533 1.328 6.746 228 HG2 LYS 32 HG2 LYS 32 1.138 1.619 5.072 229 HG3 LYS 32 HG3 LYS 32 0.155 2.804 4.222 230 HD2 LYS 32 HD2 LYS 32 1.746 4.043 5.416 231 HD3 LYS 32 HD3 LYS 32 0.244 4.204 6.329 232 HE2 LYS 32 HE2 LYS 32 1.924 3.827 7.942 233 HE3 LYS 32 HE3 LYS 32 1.107 2.278 7.761 234 HZ1 LYS 32 HZ1 LYS 32 3.676 3.050 6.490 235 HZ2 LYS 32 HZ2 LYS 32 2.914 1.569 6.275 236 HZ3 LYS 32 HZ3 LYS 32 3.507 2.002 7.799 237 H TYR 33 H TYR 33 0.414 0.042 3.589 238 HA TYR 33 HA TYR 33 0.422 -2.699 3.828 239 HB2 TYR 33 HB2 TYR 33 2.746 -0.774 3.807 240 HB3 TYR 33 HB3 TYR 33 2.946 -2.511 3.643 241 HD1 TYR 33 HD1 TYR 33 1.801 0.576 2.006 242 HD2 TYR 33 HD2 TYR 33 2.434 -3.609 1.543 243 HE1 TYR 33 HE1 TYR 33 1.623 0.825 -0.436 244 HE2 TYR 33 HE2 TYR 33 2.249 -3.372 -0.900 245 HH TYR 33 HH TYR 33 1.329 -1.869 -2.541 246 H GLY 34 H GLY 34 1.715 -0.278 6.050 247 HA2 GLY 34 HA2 GLY 34 2.430 -2.392 7.959 248 HA3 GLY 34 HA3 GLY 34 3.097 -0.768 7.956 249 H THR 35 H THR 35 -0.332 -1.465 7.603 250 HA THR 35 HA THR 35 -0.981 0.250 9.713 251 HB THR 35 HB THR 35 -2.427 -1.451 7.801 252 HG1 THR 35 HG1 THR 35 -2.218 1.198 8.511 253 HG21 THR 35 HG21 THR 35 -4.591 -1.089 8.983 254 HG22 THR 35 HG22 THR 35 -3.658 -0.588 10.401 255 HG23 THR 35 HG23 THR 35 -3.503 -2.229 9.779 256 H SER 36 H SER 36 -1.464 -0.113 11.765 257 HA SER 36 HA SER 36 -0.853 -2.717 12.908 258 HB2 SER 36 HB2 SER 36 -1.348 -0.012 14.138 259 HB3 SER 36 HB3 SER 36 -0.908 -1.455 15.049 260 HG SER 36 HG SER 36 0.820 -1.320 13.133 261 H MET 37 H MET 37 -2.231 -3.719 14.491 262 HA MET 37 HA MET 37 -4.795 -4.232 13.697 263 HB2 MET 37 HB2 MET 37 -5.255 -5.204 15.834 264 HB3 MET 37 HB3 MET 37 -3.557 -5.472 15.481 265 HG2 MET 37 HG2 MET 37 -2.919 -3.695 16.986 266 HG3 MET 37 HG3 MET 37 -4.610 -3.294 17.275 267 HE1 MET 37 HE1 MET 37 -2.544 -3.824 19.665 268 HE2 MET 37 HE2 MET 37 -3.567 -4.800 20.720 269 HE3 MET 37 HE3 MET 37 -4.246 -3.412 19.873 270 H ALA 38 H ALA 38 -3.854 -1.530 15.741 271 HA ALA 38 HA ALA 38 -6.385 -0.892 16.756 272 HB1 ALA 38 HB1 ALA 38 -4.065 0.955 16.281 273 HB2 ALA 38 HB2 ALA 38 -4.340 -0.020 17.728 274 HB3 ALA 38 HB3 ALA 38 -5.464 1.276 17.304 275 H LYS 39 H LYS 39 -4.820 0.040 13.743 276 HA LYS 39 HA LYS 39 -6.449 2.234 13.090 277 HB2 LYS 39 HB2 LYS 39 -5.139 0.267 11.183 278 HB3 LYS 39 HB3 LYS 39 -5.752 1.848 10.772 279 HG2 LYS 39 HG2 LYS 39 -3.494 1.381 12.705 280 HG3 LYS 39 HG3 LYS 39 -3.284 1.769 11.001 281 HD2 LYS 39 HD2 LYS 39 -4.531 3.880 11.380 282 HD3 LYS 39 HD3 LYS 39 -4.612 3.482 13.099 283 HE2 LYS 39 HE2 LYS 39 -2.159 3.466 13.200 284 HE3 LYS 39 HE3 LYS 39 -2.092 3.871 11.490 285 HZ1 LYS 39 HZ1 LYS 39 -1.781 5.833 12.818 286 HZ2 LYS 39 HZ2 LYS 39 -3.231 5.567 13.643 287 HZ3 LYS 39 HZ3 LYS 39 -3.251 5.943 11.999 288 H LEU 40 H LEU 40 -6.829 -1.214 12.564 289 HA LEU 40 HA LEU 40 -9.254 -0.797 11.050 290 HB2 LEU 40 HB2 LEU 40 -9.273 -3.346 10.900 291 HB3 LEU 40 HB3 LEU 40 -8.038 -2.472 10.030 292 HG LEU 40 HG LEU 40 -7.399 -3.666 12.734 293 HD11 LEU 40 HD11 LEU 40 -7.324 -5.076 10.055 294 HD12 LEU 40 HD12 LEU 40 -8.422 -5.453 11.383 295 HD13 LEU 40 HD13 LEU 40 -6.686 -5.702 11.575 296 HD21 LEU 40 HD21 LEU 40 -5.168 -3.813 11.725 297 HD22 LEU 40 HD22 LEU 40 -5.761 -2.157 11.671 298 HD23 LEU 40 HD23 LEU 40 -5.794 -3.152 10.221 299 H LYS 41 H LYS 41 -8.331 -2.198 14.151 300 HA LYS 41 HA LYS 41 -10.888 -3.196 14.885 301 HB2 LYS 41 HB2 LYS 41 -8.538 -2.278 16.513 302 HB3 LYS 41 HB3 LYS 41 -9.958 -3.060 17.190 303 HG2 LYS 41 HG2 LYS 41 -9.506 -5.077 16.062 304 HG3 LYS 41 HG3 LYS 41 -8.285 -4.301 15.048 305 HD2 LYS 41 HD2 LYS 41 -7.188 -5.580 16.729 306 HD3 LYS 41 HD3 LYS 41 -6.958 -3.857 17.031 307 HE2 LYS 41 HE2 LYS 41 -8.713 -3.902 18.739 308 HE3 LYS 41 HE3 LYS 41 -8.994 -5.613 18.423 309 HZ1 LYS 41 HZ1 LYS 41 -7.637 -5.351 20.367 310 HZ2 LYS 41 HZ2 LYS 41 -6.521 -4.405 19.535 311 HZ3 LYS 41 HZ3 LYS 41 -6.697 -6.042 19.145 312 H LYS 42 H LYS 42 -9.313 -0.163 15.622 313 HA LYS 42 HA LYS 42 -11.485 0.910 17.040 314 HB2 LYS 42 HB2 LYS 42 -9.233 1.900 17.094 315 HB3 LYS 42 HB3 LYS 42 -9.395 2.356 15.405 316 HG2 LYS 42 HG2 LYS 42 -11.182 3.890 15.946 317 HG3 LYS 42 HG3 LYS 42 -11.149 3.372 17.633 318 HD2 LYS 42 HD2 LYS 42 -9.963 5.457 17.436 319 HD3 LYS 42 HD3 LYS 42 -8.803 4.173 17.779 320 HE2 LYS 42 HE2 LYS 42 -8.213 4.064 15.411 321 HE3 LYS 42 HE3 LYS 42 -9.397 5.318 15.052 322 HZ1 LYS 42 HZ1 LYS 42 -7.194 6.250 15.193 323 HZ2 LYS 42 HZ2 LYS 42 -6.982 5.626 16.744 324 HZ3 LYS 42 HZ3 LYS 42 -8.127 6.834 16.470 325 H SER 43 H SER 43 -10.650 0.860 13.652 326 HA SER 43 HA SER 43 -12.674 2.675 12.787 327 HB2 SER 43 HB2 SER 43 -10.658 2.286 11.469 328 HB3 SER 43 HB3 SER 43 -11.111 0.602 11.232 329 HG SER 43 HG SER 43 -12.149 2.919 10.077 330 H TYR 44 H TYR 44 -12.460 -0.898 12.555 331 HA TYR 44 HA TYR 44 -14.997 -1.241 11.391 332 HB2 TYR 44 HB2 TYR 44 -13.174 -2.916 11.364 333 HB3 TYR 44 HB3 TYR 44 -13.437 -3.207 13.073 334 HD1 TYR 44 HD1 TYR 44 -14.537 -3.942 9.725 335 HD2 TYR 44 HD2 TYR 44 -15.598 -4.218 13.821 336 HE1 TYR 44 HE1 TYR 44 -16.221 -5.646 9.164 337 HE2 TYR 44 HE2 TYR 44 -17.282 -5.927 13.282 338 HH TYR 44 HH TYR 44 -17.382 -7.529 10.335 339 H ALA 45 H ALA 45 -13.907 -1.510 14.739 340 HA ALA 45 HA ALA 45 -16.384 -2.239 15.803 341 HB1 ALA 45 HB1 ALA 45 -14.312 -2.410 17.073 342 HB2 ALA 45 HB2 ALA 45 -15.536 -1.497 17.955 343 HB3 ALA 45 HB3 ALA 45 -14.211 -0.650 17.151 344 H ASP 46 H ASP 46 -15.037 0.783 14.898 345 HA ASP 46 HA ASP 46 -16.814 2.549 16.239 346 HB2 ASP 46 HB2 ASP 46 -14.636 3.183 15.202 347 HB3 ASP 46 HB3 ASP 46 -15.384 3.011 13.624 348 H ARG 47 H ARG 47 -16.826 1.203 12.956 349 HA ARG 47 HA ARG 47 -19.168 2.588 12.126 350 HB2 ARG 47 HB2 ARG 47 -19.021 1.345 10.110 351 HB3 ARG 47 HB3 ARG 47 -17.368 1.642 10.631 352 HG2 ARG 47 HG2 ARG 47 -17.378 -0.649 11.630 353 HG3 ARG 47 HG3 ARG 47 -18.917 -0.911 10.809 354 HD2 ARG 47 HD2 ARG 47 -16.313 -0.173 9.513 355 HD3 ARG 47 HD3 ARG 47 -17.058 -1.775 9.520 356 HE ARG 47 HE ARG 47 -17.890 0.558 7.971 357 HH11 ARG 47 HH11 ARG 47 -18.529 -2.775 8.902 358 HH12 ARG 47 HH12 ARG 47 -19.573 -3.079 7.561 359 HH21 ARG 47 HH21 ARG 47 -19.304 0.151 6.215 360 HH22 ARG 47 HH22 ARG 47 -20.025 -1.408 6.034 361 H THR 48 H THR 48 -18.618 -0.451 13.722 362 HA THR 48 HA THR 48 -21.371 -1.269 13.309 363 HB THR 48 HB THR 48 -19.712 -3.039 13.169 364 HG1 THR 48 HG1 THR 48 -20.509 -4.237 15.270 365 HG21 THR 48 HG21 THR 48 -18.411 -3.739 15.137 366 HG22 THR 48 HG22 THR 48 -18.975 -2.299 15.988 367 HG23 THR 48 HG23 THR 48 -17.972 -2.138 14.546 368 H GLY 49 H GLY 49 -19.642 0.632 15.481 369 HA2 GLY 49 HA2 GLY 49 -20.329 1.770 17.353 370 HA3 GLY 49 HA3 GLY 49 -21.941 1.118 17.088 371 H VAL 50 H VAL 50 -19.060 -0.802 17.487 372 HA VAL 50 HA VAL 50 -20.245 -1.873 19.955 373 HB VAL 50 HB VAL 50 -19.979 -3.261 17.695 374 HG11 VAL 50 HG11 VAL 50 -17.378 -3.978 19.026 375 HG12 VAL 50 HG12 VAL 50 -17.495 -2.816 17.710 376 HG13 VAL 50 HG13 VAL 50 -18.005 -4.476 17.443 377 HG21 VAL 50 HG21 VAL 50 -20.085 -5.266 18.983 378 HG22 VAL 50 HG22 VAL 50 -20.999 -3.998 19.802 379 HG23 VAL 50 HG23 VAL 50 -19.395 -4.452 20.384 380 H ALA 51 H ALA 51 -18.466 -3.133 21.219 381 HA ALA 51 HA ALA 51 -16.609 -1.328 22.240 382 HB1 ALA 51 HB1 ALA 51 -16.780 -4.331 22.363 383 HB2 ALA 51 HB2 ALA 51 -17.384 -3.169 23.552 384 HB3 ALA 51 HB3 ALA 51 -15.644 -3.375 23.320 385 H VAL 52 H VAL 52 -14.695 -0.691 21.507 386 HA VAL 52 HA VAL 52 -13.538 -1.670 19.117 387 HB VAL 52 HB VAL 52 -12.388 0.126 21.268 388 HG11 VAL 52 HG11 VAL 52 -11.304 -0.508 18.526 389 HG12 VAL 52 HG12 VAL 52 -10.555 -0.888 20.077 390 HG13 VAL 52 HG13 VAL 52 -10.719 0.792 19.565 391 HG21 VAL 52 HG21 VAL 52 -12.868 1.935 19.686 392 HG22 VAL 52 HG22 VAL 52 -14.334 1.062 20.134 393 HG23 VAL 52 HG23 VAL 52 -13.577 0.770 18.569 394 H ASN 53 H ASN 53 -12.782 -2.056 22.519 395 HA ASN 53 HA ASN 53 -10.409 -3.543 22.188 396 HB2 ASN 53 HB2 ASN 53 -10.918 -2.389 24.272 397 HB3 ASN 53 HB3 ASN 53 -12.312 -3.434 24.529 398 HD21 ASN 53 HD21 ASN 53 -8.856 -3.215 24.555 399 HD22 ASN 53 HD22 ASN 53 -8.568 -4.695 25.400 400 H SER 54 H SER 54 -13.790 -4.471 22.307 401 HA SER 54 HA SER 54 -13.080 -7.234 22.704 402 HB2 SER 54 HB2 SER 54 -15.758 -5.926 22.297 403 HB3 SER 54 HB3 SER 54 -15.507 -7.629 22.665 404 HG SER 54 HG SER 54 -14.904 -7.152 24.657 405 H LEU 55 H LEU 55 -13.451 -5.158 20.039 406 HA LEU 55 HA LEU 55 -14.158 -7.339 18.239 407 HB2 LEU 55 HB2 LEU 55 -15.113 -4.981 18.012 408 HB3 LEU 55 HB3 LEU 55 -13.512 -4.464 17.535 409 HG LEU 55 HG LEU 55 -15.057 -4.755 15.632 410 HD11 LEU 55 HD11 LEU 55 -12.737 -6.660 15.607 411 HD12 LEU 55 HD12 LEU 55 -12.687 -4.938 15.229 412 HD13 LEU 55 HD13 LEU 55 -13.582 -6.044 14.187 413 HD21 LEU 55 HD21 LEU 55 -15.198 -7.586 16.644 414 HD22 LEU 55 HD22 LEU 55 -15.425 -7.221 14.936 415 HD23 LEU 55 HD23 LEU 55 -16.493 -6.498 16.131 416 H ARG 56 H ARG 56 -12.673 -8.451 17.165 417 HA ARG 56 HA ARG 56 -9.914 -7.485 17.259 418 HB2 ARG 56 HB2 ARG 56 -10.929 -10.113 18.331 419 HB3 ARG 56 HB3 ARG 56 -9.226 -9.696 18.153 420 HG2 ARG 56 HG2 ARG 56 -9.221 -8.374 19.964 421 HG3 ARG 56 HG3 ARG 56 -10.810 -7.705 19.603 422 HD2 ARG 56 HD2 ARG 56 -11.876 -9.691 20.506 423 HD3 ARG 56 HD3 ARG 56 -10.287 -10.410 20.830 424 HE ARG 56 HE ARG 56 -10.655 -7.832 22.050 425 HH11 ARG 56 HH11 ARG 56 -11.205 -11.277 22.472 426 HH12 ARG 56 HH12 ARG 56 -11.314 -11.179 24.193 427 HH21 ARG 56 HH21 ARG 56 -10.797 -7.701 24.331 428 HH22 ARG 56 HH22 ARG 56 -11.078 -9.132 25.260 429 H PHE 57 H PHE 57 -8.562 -8.288 15.708 430 HA PHE 57 HA PHE 57 -9.815 -9.870 13.551 431 HB2 PHE 57 HB2 PHE 57 -7.752 -7.675 13.366 432 HB3 PHE 57 HB3 PHE 57 -8.274 -8.673 12.021 433 HD1 PHE 57 HD1 PHE 57 -8.894 -5.767 13.964 434 HD2 PHE 57 HD2 PHE 57 -10.678 -8.547 11.337 435 HE1 PHE 57 HE1 PHE 57 -10.674 -4.155 13.461 436 HE2 PHE 57 HE2 PHE 57 -12.464 -6.943 10.847 437 HZ PHE 57 HZ PHE 57 -12.461 -4.745 11.906 438 H LEU 58 H LEU 58 -8.553 -11.391 12.538 439 HA LEU 58 HA LEU 58 -5.852 -11.818 13.598 440 HB2 LEU 58 HB2 LEU 58 -8.082 -13.789 13.383 441 HB3 LEU 58 HB3 LEU 58 -6.447 -14.343 13.088 442 HG LEU 58 HG LEU 58 -5.903 -13.296 15.373 443 HD11 LEU 58 HD11 LEU 58 -7.722 -13.215 16.963 444 HD12 LEU 58 HD12 LEU 58 -8.870 -13.548 15.670 445 HD13 LEU 58 HD13 LEU 58 -7.949 -12.046 15.663 446 HD21 LEU 58 HD21 LEU 58 -6.469 -15.322 16.530 447 HD22 LEU 58 HD22 LEU 58 -5.922 -15.690 14.893 448 HD23 LEU 58 HD23 LEU 58 -7.643 -15.742 15.284 449 H PHE 59 H PHE 59 -4.358 -12.679 12.161 450 HA PHE 59 HA PHE 59 -5.243 -12.744 9.349 451 HB2 PHE 59 HB2 PHE 59 -3.744 -10.763 10.028 452 HB3 PHE 59 HB3 PHE 59 -2.472 -11.946 10.275 453 HD1 PHE 59 HD1 PHE 59 -4.128 -9.884 7.906 454 HD2 PHE 59 HD2 PHE 59 -1.846 -13.446 8.275 455 HE1 PHE 59 HE1 PHE 59 -3.623 -9.802 5.502 456 HE2 PHE 59 HE2 PHE 59 -1.325 -13.361 5.870 457 HZ PHE 59 HZ PHE 59 -2.214 -11.539 4.484 458 H ASP 60 H ASP 60 -5.010 -14.748 8.545 459 HA ASP 60 HA ASP 60 -4.265 -16.875 8.170 460 HB2 ASP 60 HB2 ASP 60 -2.142 -15.606 7.720 461 HB3 ASP 60 HB3 ASP 60 -1.647 -15.933 9.373 462 H GLY 61 H GLY 61 -5.359 -16.016 10.796 463 HA2 GLY 61 HA2 GLY 61 -6.149 -17.353 12.541 464 HA3 GLY 61 HA3 GLY 61 -4.891 -18.529 12.178 465 H ARG 62 H ARG 62 -3.580 -15.435 12.339 466 HA ARG 62 HA ARG 62 -3.001 -15.839 15.176 467 HB2 ARG 62 HB2 ARG 62 -0.731 -15.092 14.871 468 HB3 ARG 62 HB3 ARG 62 -1.081 -16.408 13.769 469 HG2 ARG 62 HG2 ARG 62 0.234 -14.925 12.540 470 HG3 ARG 62 HG3 ARG 62 -1.411 -14.628 11.984 471 HD2 ARG 62 HD2 ARG 62 -1.561 -12.611 13.215 472 HD3 ARG 62 HD3 ARG 62 -0.107 -12.982 14.144 473 HE ARG 62 HE ARG 62 0.618 -12.874 11.465 474 HH11 ARG 62 HH11 ARG 62 -0.625 -10.682 13.935 475 HH12 ARG 62 HH12 ARG 62 0.094 -9.264 13.231 476 HH21 ARG 62 HH21 ARG 62 1.611 -11.008 10.565 477 HH22 ARG 62 HH22 ARG 62 1.375 -9.466 11.320 478 H ARG 63 H ARG 63 -2.531 -14.019 16.415 479 HA ARG 63 HA ARG 63 -4.508 -12.028 16.127 480 HB2 ARG 63 HB2 ARG 63 -2.076 -12.086 17.913 481 HB3 ARG 63 HB3 ARG 63 -3.486 -11.062 18.124 482 HG2 ARG 63 HG2 ARG 63 -3.627 -14.057 18.147 483 HG3 ARG 63 HG3 ARG 63 -3.355 -13.093 19.597 484 HD2 ARG 63 HD2 ARG 63 -5.718 -12.822 17.754 485 HD3 ARG 63 HD3 ARG 63 -5.719 -13.742 19.258 486 HE ARG 63 HE ARG 63 -4.867 -11.024 19.597 487 HH11 ARG 63 HH11 ARG 63 -7.676 -13.125 19.433 488 HH12 ARG 63 HH12 ARG 63 -8.688 -12.072 20.346 489 HH21 ARG 63 HH21 ARG 63 -6.217 -9.594 20.789 490 HH22 ARG 63 HH22 ARG 63 -7.847 -10.043 21.133 491 H ILE 64 H ILE 64 -4.444 -10.066 15.196 492 HA ILE 64 HA ILE 64 -1.935 -9.072 14.074 493 HB ILE 64 HB ILE 64 -4.718 -7.825 14.049 494 HG12 ILE 64 HG12 ILE 64 -3.227 -9.260 11.839 495 HG13 ILE 64 HG13 ILE 64 -4.483 -9.998 12.824 496 HG21 ILE 64 HG21 ILE 64 -2.862 -6.180 13.811 497 HG22 ILE 64 HG22 ILE 64 -3.844 -6.302 12.353 498 HG23 ILE 64 HG23 ILE 64 -2.269 -7.091 12.424 499 HD11 ILE 64 HD11 ILE 64 -5.340 -9.309 10.674 500 HD12 ILE 64 HD12 ILE 64 -4.830 -7.647 10.982 501 HD13 ILE 64 HD13 ILE 64 -6.096 -8.379 11.969 502 H ASN 65 H ASN 65 -0.728 -7.556 14.928 503 HA ASN 65 HA ASN 65 -1.486 -6.754 17.660 504 HB2 ASN 65 HB2 ASN 65 1.279 -7.127 16.496 505 HB3 ASN 65 HB3 ASN 65 0.895 -6.733 18.168 506 HD21 ASN 65 HD21 ASN 65 1.244 -9.192 15.843 507 HD22 ASN 65 HD22 ASN 65 0.862 -10.535 16.859 508 H ASP 66 H ASP 66 -0.615 -4.715 18.405 509 HA ASP 66 HA ASP 66 -0.641 -2.713 16.339 510 HB2 ASP 66 HB2 ASP 66 -0.443 -1.096 18.201 511 HB3 ASP 66 HB3 ASP 66 -1.779 -2.216 18.434 512 H ASP 67 H ASP 67 1.618 -4.743 17.642 513 HA ASP 67 HA ASP 67 3.872 -2.934 17.332 514 HB2 ASP 67 HB2 ASP 67 3.679 -5.712 18.466 515 HB3 ASP 67 HB3 ASP 67 5.136 -4.755 18.371 516 H ASP 68 H ASP 68 2.170 -5.313 15.544 517 HA ASP 68 HA ASP 68 4.456 -6.587 14.453 518 HB2 ASP 68 HB2 ASP 68 2.891 -7.715 12.908 519 HB3 ASP 68 HB3 ASP 68 2.425 -7.855 14.592 520 H THR 69 H THR 69 4.715 -6.785 12.034 521 HA THR 69 HA THR 69 4.808 -4.071 10.911 522 HB THR 69 HB THR 69 6.942 -4.784 9.816 523 HG1 THR 69 HG1 THR 69 7.470 -6.806 11.549 524 HG21 THR 69 HG21 THR 69 7.001 -3.469 11.872 525 HG22 THR 69 HG22 THR 69 8.325 -4.631 11.845 526 HG23 THR 69 HG23 THR 69 6.898 -4.944 12.832 527 HA PRO 70 HA PRO 70 2.773 -5.331 7.223 528 HB2 PRO 70 HB2 PRO 70 4.572 -4.559 5.250 529 HB3 PRO 70 HB3 PRO 70 3.393 -3.501 6.029 530 HG2 PRO 70 HG2 PRO 70 6.295 -3.888 6.648 531 HG3 PRO 70 HG3 PRO 70 5.351 -2.386 6.590 532 HD2 PRO 70 HD2 PRO 70 5.973 -3.479 8.913 533 HD3 PRO 70 HD3 PRO 70 4.356 -2.799 8.656 534 H LYS 71 H LYS 71 6.176 -6.325 7.399 535 HA LYS 71 HA LYS 71 6.005 -8.262 5.330 536 HB2 LYS 71 HB2 LYS 71 8.116 -9.085 6.287 537 HB3 LYS 71 HB3 LYS 71 8.114 -7.358 5.963 538 HG2 LYS 71 HG2 LYS 71 7.250 -7.382 8.507 539 HG3 LYS 71 HG3 LYS 71 8.293 -8.807 8.498 540 HD2 LYS 71 HD2 LYS 71 9.536 -6.952 9.127 541 HD3 LYS 71 HD3 LYS 71 10.026 -7.412 7.484 542 HE2 LYS 71 HE2 LYS 71 8.558 -5.661 6.589 543 HE3 LYS 71 HE3 LYS 71 8.119 -5.205 8.223 544 HZ1 LYS 71 HZ1 LYS 71 9.834 -3.747 7.307 545 HZ2 LYS 71 HZ2 LYS 71 10.871 -5.065 7.102 546 HZ3 LYS 71 HZ3 LYS 71 10.417 -4.590 8.654 547 H THR 72 H THR 72 5.959 -8.532 8.898 548 HA THR 72 HA THR 72 5.375 -11.304 8.813 549 HB THR 72 HB THR 72 6.434 -10.163 10.798 550 HG1 THR 72 HG1 THR 72 5.557 -12.246 11.025 551 HG21 THR 72 HG21 THR 72 4.979 -9.112 12.450 552 HG22 THR 72 HG22 THR 72 3.600 -9.298 11.365 553 HG23 THR 72 HG23 THR 72 4.932 -8.231 10.922 554 H LEU 73 H LEU 73 3.421 -8.404 8.732 555 HA LEU 73 HA LEU 73 0.933 -9.730 9.150 556 HB2 LEU 73 HB2 LEU 73 1.627 -7.126 7.799 557 HB3 LEU 73 HB3 LEU 73 -0.014 -7.718 7.961 558 HG LEU 73 HG LEU 73 1.745 -7.228 10.354 559 HD11 LEU 73 HD11 LEU 73 -0.245 -5.379 9.028 560 HD12 LEU 73 HD12 LEU 73 1.500 -5.133 9.108 561 HD13 LEU 73 HD13 LEU 73 0.537 -5.104 10.583 562 HD21 LEU 73 HD21 LEU 73 -0.395 -7.200 11.502 563 HD22 LEU 73 HD22 LEU 73 -0.184 -8.720 10.634 564 HD23 LEU 73 HD23 LEU 73 -1.238 -7.466 9.978 565 H GLU 74 H GLU 74 3.079 -9.251 6.454 566 HA GLU 74 HA GLU 74 3.113 -10.083 4.338 567 HB2 GLU 74 HB2 GLU 74 2.868 -12.147 5.860 568 HB3 GLU 74 HB3 GLU 74 1.204 -12.199 5.307 569 HG2 GLU 74 HG2 GLU 74 1.902 -12.553 3.052 570 HG3 GLU 74 HG3 GLU 74 3.593 -12.296 3.489 571 H MET 75 H MET 75 1.040 -8.140 5.004 572 HA MET 75 HA MET 75 -1.365 -8.852 3.605 573 HB2 MET 75 HB2 MET 75 -0.402 -6.226 4.741 574 HB3 MET 75 HB3 MET 75 -2.022 -6.545 4.119 575 HG2 MET 75 HG2 MET 75 -2.476 -8.087 5.834 576 HG3 MET 75 HG3 MET 75 -0.803 -8.129 6.344 577 HE1 MET 75 HE1 MET 75 -3.131 -5.017 5.496 578 HE2 MET 75 HE2 MET 75 -3.685 -4.606 7.119 579 HE3 MET 75 HE3 MET 75 -4.157 -6.140 6.388 580 H GLU 76 H GLU 76 -2.145 -7.880 1.719 581 HA GLU 76 HA GLU 76 -0.400 -6.178 0.166 582 HB2 GLU 76 HB2 GLU 76 -0.554 -7.553 -1.837 583 HB3 GLU 76 HB3 GLU 76 0.219 -8.468 -0.554 584 HG2 GLU 76 HG2 GLU 76 -1.718 -9.775 -0.194 585 HG3 GLU 76 HG3 GLU 76 -2.702 -8.712 -1.198 586 H ASP 77 H ASP 77 -1.749 -5.771 -2.026 587 HA ASP 77 HA ASP 77 -4.065 -4.466 -1.196 588 HB2 ASP 77 HB2 ASP 77 -2.920 -5.100 -3.877 589 HB3 ASP 77 HB3 ASP 77 -4.542 -4.427 -3.754 590 H ASP 78 H ASP 78 -5.898 -5.121 -0.740 591 HA ASP 78 HA ASP 78 -7.884 -6.134 -0.666 592 HB2 ASP 78 HB2 ASP 78 -7.720 -5.788 -3.179 593 HB3 ASP 78 HB3 ASP 78 -7.243 -7.483 -3.278 594 H ASP 79 H ASP 79 -5.547 -7.302 0.550 595 HA ASP 79 HA ASP 79 -5.858 -10.159 0.328 596 HB2 ASP 79 HB2 ASP 79 -3.781 -8.754 1.219 597 HB3 ASP 79 HB3 ASP 79 -4.639 -8.916 2.750 598 H VAL 80 H VAL 80 -6.173 -11.199 2.729 599 HA VAL 80 HA VAL 80 -8.821 -10.161 3.458 600 HB VAL 80 HB VAL 80 -9.467 -12.485 3.994 601 HG11 VAL 80 HG11 VAL 80 -9.627 -13.246 1.648 602 HG12 VAL 80 HG12 VAL 80 -8.487 -11.975 1.195 603 HG13 VAL 80 HG13 VAL 80 -10.066 -11.550 1.855 604 HG21 VAL 80 HG21 VAL 80 -7.279 -13.427 4.431 605 HG22 VAL 80 HG22 VAL 80 -6.796 -13.131 2.762 606 HG23 VAL 80 HG23 VAL 80 -8.054 -14.321 3.118 607 H ILE 81 H ILE 81 -9.480 -10.263 5.515 608 HA ILE 81 HA ILE 81 -7.500 -10.906 7.570 609 HB ILE 81 HB ILE 81 -8.790 -8.347 7.035 610 HG12 ILE 81 HG12 ILE 81 -7.140 -7.563 8.757 611 HG13 ILE 81 HG13 ILE 81 -6.686 -9.242 9.008 612 HG21 ILE 81 HG21 ILE 81 -10.461 -8.984 8.616 613 HG22 ILE 81 HG22 ILE 81 -9.402 -7.780 9.352 614 HG23 ILE 81 HG23 ILE 81 -9.231 -9.485 9.779 615 HD11 ILE 81 HD11 ILE 81 -6.420 -7.708 6.437 616 HD12 ILE 81 HD12 ILE 81 -5.954 -9.388 6.689 617 HD13 ILE 81 HD13 ILE 81 -5.119 -8.099 7.558 618 H GLU 82 H GLU 82 -8.301 -12.056 9.288 619 HA GLU 82 HA GLU 82 -11.009 -13.077 8.874 620 HB2 GLU 82 HB2 GLU 82 -8.765 -14.162 10.555 621 HB3 GLU 82 HB3 GLU 82 -10.301 -14.952 10.240 622 HG2 GLU 82 HG2 GLU 82 -9.772 -15.119 7.884 623 HG3 GLU 82 HG3 GLU 82 -8.253 -14.269 8.147 624 H VAL 83 H VAL 83 -12.528 -12.947 10.384 625 HA VAL 83 HA VAL 83 -11.840 -11.621 12.920 626 HB VAL 83 HB VAL 83 -14.383 -11.307 11.322 627 HG11 VAL 83 HG11 VAL 83 -14.841 -11.302 13.719 628 HG12 VAL 83 HG12 VAL 83 -15.050 -9.688 13.040 629 HG13 VAL 83 HG13 VAL 83 -13.596 -10.075 13.960 630 HG21 VAL 83 HG21 VAL 83 -13.754 -9.054 10.996 631 HG22 VAL 83 HG22 VAL 83 -12.405 -10.078 10.486 632 HG23 VAL 83 HG23 VAL 83 -12.356 -9.247 12.049 633 H TYR 84 H TYR 84 -12.383 -12.698 14.646 634 HA TYR 84 HA TYR 84 -14.207 -14.941 14.378 635 HB2 TYR 84 HB2 TYR 84 -12.183 -14.194 16.487 636 HB3 TYR 84 HB3 TYR 84 -13.359 -15.487 16.706 637 HD1 TYR 84 HD1 TYR 84 -10.322 -14.453 14.943 638 HD2 TYR 84 HD2 TYR 84 -13.218 -17.528 15.411 639 HE1 TYR 84 HE1 TYR 84 -8.842 -16.006 13.750 640 HE2 TYR 84 HE2 TYR 84 -11.745 -19.105 14.222 641 HH TYR 84 HH TYR 84 -9.904 -19.014 12.588 642 H GLN 85 H GLN 85 -15.941 -15.119 15.900 643 HA GLN 85 HA GLN 85 -17.233 -12.593 15.985 644 HB2 GLN 85 HB2 GLN 85 -18.352 -14.766 15.496 645 HB3 GLN 85 HB3 GLN 85 -18.176 -15.191 17.190 646 HG2 GLN 85 HG2 GLN 85 -19.633 -13.437 17.857 647 HG3 GLN 85 HG3 GLN 85 -19.658 -12.766 16.225 648 HE21 GLN 85 HE21 GLN 85 -21.856 -12.927 16.028 649 HE22 GLN 85 HE22 GLN 85 -22.670 -14.440 15.842 650 H GLU 86 H GLU 86 -16.834 -11.124 17.371 651 HA GLU 86 HA GLU 86 -17.070 -11.025 20.006 652 HB2 GLU 86 HB2 GLU 86 -14.558 -12.235 19.327 653 HB3 GLU 86 HB3 GLU 86 -14.354 -10.717 20.212 654 HG2 GLU 86 HG2 GLU 86 -16.235 -12.835 20.988 655 HG3 GLU 86 HG3 GLU 86 -14.574 -12.780 21.623 656 H GLN 87 H GLN 87 -17.668 -9.190 20.113 657 HA GLN 87 HA GLN 87 -15.942 -7.017 19.578 658 HB2 GLN 87 HB2 GLN 87 -17.691 -5.969 18.427 659 HB3 GLN 87 HB3 GLN 87 -17.080 -7.406 17.609 660 HG2 GLN 87 HG2 GLN 87 -19.045 -8.627 18.310 661 HG3 GLN 87 HG3 GLN 87 -19.663 -7.190 19.121 662 HE21 GLN 87 HE21 GLN 87 -20.807 -8.795 16.920 663 HE22 GLN 87 HE22 GLN 87 -21.076 -7.680 15.627 664 H LEU 88 H LEU 88 -17.380 -8.651 21.560 665 HA LEU 88 HA LEU 88 -18.335 -8.403 23.635 666 HB2 LEU 88 HB2 LEU 88 -17.737 -5.986 23.700 667 HB3 LEU 88 HB3 LEU 88 -19.162 -5.617 22.753 668 HG LEU 88 HG LEU 88 -20.586 -6.414 24.613 669 HD11 LEU 88 HD11 LEU 88 -19.575 -6.827 26.807 670 HD12 LEU 88 HD12 LEU 88 -17.971 -6.715 26.085 671 HD13 LEU 88 HD13 LEU 88 -19.061 -8.018 25.614 672 HD21 LEU 88 HD21 LEU 88 -18.566 -4.323 25.414 673 HD22 LEU 88 HD22 LEU 88 -20.173 -4.537 26.110 674 HD23 LEU 88 HD23 LEU 88 -19.998 -4.046 24.426 675 H GLY 89 H GLY 89 -19.553 -8.190 20.600 676 HA2 GLY 89 HA2 GLY 89 -22.318 -8.362 20.879 677 HA3 GLY 89 HA3 GLY 89 -21.346 -9.130 19.617 678 H GLY 90 H GLY 90 -19.822 -10.875 21.083 679 HA2 GLY 90 HA2 GLY 90 -19.912 -12.738 22.516 680 HA3 GLY 90 HA3 GLY 90 -21.646 -12.495 22.692 Start of MODEL 20 1 H MET 1 H MET 1 -24.304 -7.236 -4.585 2 HA MET 1 HA MET 1 -24.714 -5.330 -5.955 3 HB2 MET 1 HB2 MET 1 -24.670 -5.061 -3.496 4 HB3 MET 1 HB3 MET 1 -22.951 -4.711 -3.567 5 HG2 MET 1 HG2 MET 1 -23.426 -2.698 -4.888 6 HG3 MET 1 HG3 MET 1 -25.148 -3.049 -4.782 7 HE1 MET 1 HE1 MET 1 -26.610 -2.726 -2.672 8 HE2 MET 1 HE2 MET 1 -25.970 -2.465 -1.049 9 HE3 MET 1 HE3 MET 1 -25.672 -3.992 -1.880 10 H ALA 2 H ALA 2 -23.959 -3.712 -7.291 11 HA ALA 2 HA ALA 2 -21.263 -4.030 -8.253 12 HB1 ALA 2 HB1 ALA 2 -23.407 -2.054 -9.056 13 HB2 ALA 2 HB2 ALA 2 -23.099 -3.608 -9.829 14 HB3 ALA 2 HB3 ALA 2 -21.888 -2.330 -9.907 15 H ASP 3 H ASP 3 -19.761 -3.270 -6.924 16 HA ASP 3 HA ASP 3 -20.180 -0.883 -5.354 17 HB2 ASP 3 HB2 ASP 3 -18.104 -1.408 -4.283 18 HB3 ASP 3 HB3 ASP 3 -18.974 -2.922 -4.490 19 H ASP 4 H ASP 4 -17.823 0.374 -5.264 20 HA ASP 4 HA ASP 4 -17.853 2.025 -7.531 21 HB2 ASP 4 HB2 ASP 4 -15.754 1.705 -5.378 22 HB3 ASP 4 HB3 ASP 4 -15.679 2.938 -6.627 23 H ALA 5 H ALA 5 -15.830 -0.737 -6.688 24 HA ALA 5 HA ALA 5 -14.326 -1.974 -7.836 25 HB1 ALA 5 HB1 ALA 5 -14.584 -2.193 -10.253 26 HB2 ALA 5 HB2 ALA 5 -15.585 -0.742 -10.293 27 HB3 ALA 5 HB3 ALA 5 -16.163 -2.188 -9.465 28 H ALA 6 H ALA 6 -13.643 0.679 -6.943 29 HA ALA 6 HA ALA 6 -11.220 1.032 -8.447 30 HB1 ALA 6 HB1 ALA 6 -11.563 3.450 -8.738 31 HB2 ALA 6 HB2 ALA 6 -13.216 3.276 -8.147 32 HB3 ALA 6 HB3 ALA 6 -12.732 2.503 -9.655 33 H GLN 7 H GLN 7 -9.748 2.396 -7.304 34 HA GLN 7 HA GLN 7 -10.419 2.702 -4.469 35 HB2 GLN 7 HB2 GLN 7 -7.872 1.698 -5.726 36 HB3 GLN 7 HB3 GLN 7 -7.996 2.168 -4.034 37 HG2 GLN 7 HG2 GLN 7 -9.572 0.399 -3.615 38 HG3 GLN 7 HG3 GLN 7 -9.636 0.001 -5.330 39 HE21 GLN 7 HE21 GLN 7 -8.914 -1.674 -3.057 40 HE22 GLN 7 HE22 GLN 7 -7.318 -2.253 -3.379 41 H ALA 8 H ALA 8 -9.352 4.467 -3.418 42 HA ALA 8 HA ALA 8 -9.256 6.789 -4.981 43 HB1 ALA 8 HB1 ALA 8 -8.172 6.370 -2.199 44 HB2 ALA 8 HB2 ALA 8 -9.840 6.780 -2.596 45 HB3 ALA 8 HB3 ALA 8 -8.542 7.918 -2.958 46 H GLY 9 H GLY 9 -6.764 4.634 -3.780 47 HA2 GLY 9 HA2 GLY 9 -4.597 4.376 -4.566 48 HA3 GLY 9 HA3 GLY 9 -4.855 5.739 -5.657 49 H ASP 10 H ASP 10 -5.726 6.111 -2.432 50 HA ASP 10 HA ASP 10 -3.812 8.213 -2.024 51 HB2 ASP 10 HB2 ASP 10 -5.105 8.706 -0.065 52 HB3 ASP 10 HB3 ASP 10 -6.236 8.305 -1.354 53 H ASN 11 H ASN 11 -3.026 8.203 0.446 54 HA ASN 11 HA ASN 11 -1.457 7.395 1.873 55 HB2 ASN 11 HB2 ASN 11 -3.041 4.857 1.417 56 HB3 ASN 11 HB3 ASN 11 -1.750 4.981 2.606 57 HD21 ASN 11 HD21 ASN 11 -4.633 4.470 2.891 58 HD22 ASN 11 HD22 ASN 11 -5.225 5.679 3.972 59 H ALA 12 H ALA 12 -0.603 7.760 -0.573 60 HA ALA 12 HA ALA 12 0.598 5.649 -1.940 61 HB1 ALA 12 HB1 ALA 12 0.148 7.891 -2.835 62 HB2 ALA 12 HB2 ALA 12 1.812 7.363 -3.119 63 HB3 ALA 12 HB3 ALA 12 1.453 8.527 -1.837 64 H GLU 13 H GLU 13 1.755 7.654 0.709 65 HA GLU 13 HA GLU 13 4.405 6.474 0.612 66 HB2 GLU 13 HB2 GLU 13 3.209 8.410 2.599 67 HB3 GLU 13 HB3 GLU 13 4.904 7.959 2.512 68 HG2 GLU 13 HG2 GLU 13 5.054 8.970 0.293 69 HG3 GLU 13 HG3 GLU 13 3.355 9.431 0.395 70 H TYR 14 H TYR 14 2.137 4.863 1.130 71 HA TYR 14 HA TYR 14 2.868 3.806 3.755 72 HB2 TYR 14 HB2 TYR 14 0.073 4.057 2.647 73 HB3 TYR 14 HB3 TYR 14 0.483 3.118 4.080 74 HD1 TYR 14 HD1 TYR 14 0.178 6.509 2.695 75 HD2 TYR 14 HD2 TYR 14 1.060 4.216 6.156 76 HE1 TYR 14 HE1 TYR 14 -0.008 8.537 4.076 77 HE2 TYR 14 HE2 TYR 14 0.875 6.232 7.548 78 HH TYR 14 HH TYR 14 1.156 8.737 7.169 79 H ILE 15 H ILE 15 2.003 1.486 4.008 80 HA ILE 15 HA ILE 15 3.015 0.064 1.636 81 HB ILE 15 HB ILE 15 3.876 -1.592 3.133 82 HG12 ILE 15 HG12 ILE 15 2.344 -0.112 5.275 83 HG13 ILE 15 HG13 ILE 15 2.059 -1.744 4.655 84 HG21 ILE 15 HG21 ILE 15 4.406 1.151 4.233 85 HG22 ILE 15 HG22 ILE 15 5.234 0.390 2.873 86 HG23 ILE 15 HG23 ILE 15 5.407 -0.277 4.496 87 HD11 ILE 15 HD11 ILE 15 3.929 -2.597 5.691 88 HD12 ILE 15 HD12 ILE 15 3.197 -1.534 6.893 89 HD13 ILE 15 HD13 ILE 15 4.619 -1.004 5.989 90 H LYS 16 H LYS 16 2.251 -2.136 1.423 91 HA LYS 16 HA LYS 16 -0.649 -2.255 1.627 92 HB2 LYS 16 HB2 LYS 16 1.452 -3.676 0.092 93 HB3 LYS 16 HB3 LYS 16 -0.176 -4.338 0.189 94 HG2 LYS 16 HG2 LYS 16 -1.085 -2.637 -1.027 95 HG3 LYS 16 HG3 LYS 16 0.215 -1.507 -0.643 96 HD2 LYS 16 HD2 LYS 16 0.328 -2.250 -2.978 97 HD3 LYS 16 HD3 LYS 16 1.739 -2.784 -2.063 98 HE2 LYS 16 HE2 LYS 16 0.612 -4.987 -1.759 99 HE3 LYS 16 HE3 LYS 16 -0.664 -4.429 -2.838 100 HZ1 LYS 16 HZ1 LYS 16 0.966 -4.151 -4.577 101 HZ2 LYS 16 HZ2 LYS 16 1.007 -5.739 -4.000 102 HZ3 LYS 16 HZ3 LYS 16 2.205 -4.636 -3.537 103 H ILE 17 H ILE 17 -1.746 -3.894 2.583 104 HA ILE 17 HA ILE 17 -0.261 -6.040 3.880 105 HB ILE 17 HB ILE 17 -2.105 -4.099 5.214 106 HG12 ILE 17 HG12 ILE 17 0.323 -3.840 5.400 107 HG13 ILE 17 HG13 ILE 17 -0.444 -4.183 6.948 108 HG21 ILE 17 HG21 ILE 17 -3.150 -6.268 5.586 109 HG22 ILE 17 HG22 ILE 17 -2.429 -5.650 7.073 110 HG23 ILE 17 HG23 ILE 17 -1.611 -6.916 6.154 111 HD11 ILE 17 HD11 ILE 17 1.088 -6.133 5.241 112 HD12 ILE 17 HD12 ILE 17 0.240 -6.540 6.731 113 HD13 ILE 17 HD13 ILE 17 1.605 -5.427 6.770 114 H LYS 18 H LYS 18 -1.266 -7.994 3.860 115 HA LYS 18 HA LYS 18 -3.841 -8.008 2.452 116 HB2 LYS 18 HB2 LYS 18 -2.316 -10.506 3.019 117 HB3 LYS 18 HB3 LYS 18 -3.375 -10.130 1.680 118 HG2 LYS 18 HG2 LYS 18 -1.531 -8.514 0.889 119 HG3 LYS 18 HG3 LYS 18 -0.511 -9.347 2.059 120 HD2 LYS 18 HD2 LYS 18 -2.020 -10.670 -0.190 121 HD3 LYS 18 HD3 LYS 18 -0.295 -10.306 -0.182 122 HE2 LYS 18 HE2 LYS 18 0.021 -11.792 1.718 123 HE3 LYS 18 HE3 LYS 18 -1.711 -12.129 1.759 124 HZ1 LYS 18 HZ1 LYS 18 -1.520 -13.067 -0.471 125 HZ2 LYS 18 HZ2 LYS 18 -0.530 -13.885 0.627 126 HZ3 LYS 18 HZ3 LYS 18 0.145 -12.788 -0.457 127 H VAL 19 H VAL 19 -5.422 -7.842 3.937 128 HA VAL 19 HA VAL 19 -5.292 -9.185 6.474 129 HB VAL 19 HB VAL 19 -7.555 -7.718 5.068 130 HG11 VAL 19 HG11 VAL 19 -7.463 -8.759 7.892 131 HG12 VAL 19 HG12 VAL 19 -8.424 -9.431 6.577 132 HG13 VAL 19 HG13 VAL 19 -8.764 -7.804 7.169 133 HG21 VAL 19 HG21 VAL 19 -7.163 -5.966 6.752 134 HG22 VAL 19 HG22 VAL 19 -5.735 -6.243 5.751 135 HG23 VAL 19 HG23 VAL 19 -5.804 -6.894 7.388 136 H VAL 20 H VAL 20 -5.587 -11.319 6.575 137 HA VAL 20 HA VAL 20 -7.312 -12.572 4.561 138 HB VAL 20 HB VAL 20 -5.153 -13.831 6.265 139 HG11 VAL 20 HG11 VAL 20 -6.782 -14.982 4.003 140 HG12 VAL 20 HG12 VAL 20 -6.906 -15.414 5.710 141 HG13 VAL 20 HG13 VAL 20 -5.436 -15.789 4.811 142 HG21 VAL 20 HG21 VAL 20 -3.848 -13.986 4.214 143 HG22 VAL 20 HG22 VAL 20 -4.228 -12.305 4.590 144 HG23 VAL 20 HG23 VAL 20 -5.122 -13.153 3.328 145 H GLY 21 H GLY 21 -9.226 -13.111 5.258 146 HA2 GLY 21 HA2 GLY 21 -9.721 -13.453 8.094 147 HA3 GLY 21 HA3 GLY 21 -10.926 -13.518 6.820 148 H GLN 22 H GLN 22 -11.243 -15.399 8.627 149 HA GLN 22 HA GLN 22 -9.588 -17.684 8.229 150 HB2 GLN 22 HB2 GLN 22 -12.230 -17.410 9.634 151 HB3 GLN 22 HB3 GLN 22 -11.226 -18.849 9.656 152 HG2 GLN 22 HG2 GLN 22 -10.468 -16.136 10.730 153 HG3 GLN 22 HG3 GLN 22 -10.943 -17.534 11.692 154 HE21 GLN 22 HE21 GLN 22 -8.473 -15.942 11.640 155 HE22 GLN 22 HE22 GLN 22 -7.186 -17.074 11.388 156 H ASP 23 H ASP 23 -12.310 -16.464 6.728 157 HA ASP 23 HA ASP 23 -13.086 -18.947 5.455 158 HB2 ASP 23 HB2 ASP 23 -13.922 -16.093 4.878 159 HB3 ASP 23 HB3 ASP 23 -14.650 -17.530 4.176 160 H SER 24 H SER 24 -10.413 -17.409 5.249 161 HA SER 24 HA SER 24 -8.740 -17.149 3.762 162 HB2 SER 24 HB2 SER 24 -10.568 -18.635 1.854 163 HB3 SER 24 HB3 SER 24 -8.850 -18.325 1.596 164 HG SER 24 HG SER 24 -10.083 -20.218 3.136 165 H ASN 25 H ASN 25 -10.921 -15.272 4.097 166 HA ASN 25 HA ASN 25 -11.126 -14.005 1.477 167 HB2 ASN 25 HB2 ASN 25 -12.324 -13.301 4.146 168 HB3 ASN 25 HB3 ASN 25 -12.475 -12.263 2.737 169 HD21 ASN 25 HD21 ASN 25 -14.577 -13.566 4.222 170 HD22 ASN 25 HD22 ASN 25 -15.398 -14.607 3.116 171 H GLU 26 H GLU 26 -9.384 -13.080 0.897 172 HA GLU 26 HA GLU 26 -7.834 -11.512 2.813 173 HB2 GLU 26 HB2 GLU 26 -6.592 -13.271 1.726 174 HB3 GLU 26 HB3 GLU 26 -7.065 -12.675 0.140 175 HG2 GLU 26 HG2 GLU 26 -5.828 -10.586 0.625 176 HG3 GLU 26 HG3 GLU 26 -5.290 -11.302 2.144 177 H VAL 27 H VAL 27 -7.625 -9.413 2.609 178 HA VAL 27 HA VAL 27 -8.322 -8.104 0.085 179 HB VAL 27 HB VAL 27 -10.341 -7.940 1.468 180 HG11 VAL 27 HG11 VAL 27 -10.318 -6.764 3.606 181 HG12 VAL 27 HG12 VAL 27 -8.559 -6.636 3.506 182 HG13 VAL 27 HG13 VAL 27 -9.322 -8.221 3.653 183 HG21 VAL 27 HG21 VAL 27 -10.570 -5.487 1.532 184 HG22 VAL 27 HG22 VAL 27 -9.819 -6.049 0.037 185 HG23 VAL 27 HG23 VAL 27 -8.826 -5.335 1.310 186 H HIS 28 H HIS 28 -7.174 -6.271 -0.350 187 HA HIS 28 HA HIS 28 -4.784 -6.053 1.288 188 HB2 HIS 28 HB2 HIS 28 -5.383 -5.093 -1.502 189 HB3 HIS 28 HB3 HIS 28 -3.868 -4.783 -0.663 190 HD2 HIS 28 HD2 HIS 28 -4.401 -8.232 0.356 191 HE1 HIS 28 HE1 HIS 28 -2.818 -8.638 -3.553 192 HE2 HIS 28 HE2 HIS 28 -3.456 -9.839 -1.430 193 H PHE 29 H PHE 29 -4.658 -4.572 2.691 194 HA PHE 29 HA PHE 29 -6.004 -2.000 2.275 195 HB2 PHE 29 HB2 PHE 29 -5.206 -3.469 4.763 196 HB3 PHE 29 HB3 PHE 29 -5.435 -1.731 4.788 197 HD1 PHE 29 HD1 PHE 29 -7.079 -4.979 4.531 198 HD2 PHE 29 HD2 PHE 29 -7.621 -0.762 4.476 199 HE1 PHE 29 HE1 PHE 29 -9.481 -5.283 4.856 200 HE2 PHE 29 HE2 PHE 29 -10.033 -1.066 4.805 201 HZ PHE 29 HZ PHE 29 -10.961 -3.331 5.000 202 H ARG 30 H ARG 30 -4.892 -0.108 2.665 203 HA ARG 30 HA ARG 30 -1.984 -0.362 2.459 204 HB2 ARG 30 HB2 ARG 30 -3.076 0.878 0.679 205 HB3 ARG 30 HB3 ARG 30 -3.826 1.959 1.852 206 HG2 ARG 30 HG2 ARG 30 -2.033 3.162 1.032 207 HG3 ARG 30 HG3 ARG 30 -1.440 2.515 2.551 208 HD2 ARG 30 HD2 ARG 30 0.250 2.268 0.863 209 HD3 ARG 30 HD3 ARG 30 -0.370 0.682 1.321 210 HE ARG 30 HE ARG 30 -1.877 1.365 -0.832 211 HH11 ARG 30 HH11 ARG 30 1.592 1.297 -0.292 212 HH12 ARG 30 HH12 ARG 30 1.957 0.776 -1.900 213 HH21 ARG 30 HH21 ARG 30 -1.390 0.695 -2.968 214 HH22 ARG 30 HH22 ARG 30 0.256 0.443 -3.435 215 H VAL 31 H VAL 31 -0.887 0.024 4.247 216 HA VAL 31 HA VAL 31 -1.934 1.812 6.332 217 HB VAL 31 HB VAL 31 -1.350 0.230 8.111 218 HG11 VAL 31 HG11 VAL 31 -3.192 -1.363 7.813 219 HG12 VAL 31 HG12 VAL 31 -3.281 -0.928 6.106 220 HG13 VAL 31 HG13 VAL 31 -3.652 0.273 7.343 221 HG21 VAL 31 HG21 VAL 31 0.372 -1.038 6.964 222 HG22 VAL 31 HG22 VAL 31 -0.833 -1.720 5.872 223 HG23 VAL 31 HG23 VAL 31 -0.875 -2.117 7.590 224 H LYS 32 H LYS 32 -0.177 2.027 8.103 225 HA LYS 32 HA LYS 32 2.321 2.698 6.749 226 HB2 LYS 32 HB2 LYS 32 1.055 4.249 8.367 227 HB3 LYS 32 HB3 LYS 32 1.590 3.168 9.635 228 HG2 LYS 32 HG2 LYS 32 3.922 3.650 9.094 229 HG3 LYS 32 HG3 LYS 32 3.397 4.734 7.801 230 HD2 LYS 32 HD2 LYS 32 2.127 6.023 9.548 231 HD3 LYS 32 HD3 LYS 32 2.939 5.016 10.748 232 HE2 LYS 32 HE2 LYS 32 4.346 6.779 8.745 233 HE3 LYS 32 HE3 LYS 32 4.032 7.214 10.422 234 HZ1 LYS 32 HZ1 LYS 32 5.748 4.994 9.455 235 HZ2 LYS 32 HZ2 LYS 32 5.360 5.254 11.076 236 HZ3 LYS 32 HZ3 LYS 32 6.251 6.407 10.229 237 H TYR 33 H TYR 33 4.359 1.936 7.606 238 HA TYR 33 HA TYR 33 4.577 -0.730 8.381 239 HB2 TYR 33 HB2 TYR 33 6.420 1.552 9.105 240 HB3 TYR 33 HB3 TYR 33 6.830 -0.142 9.273 241 HD1 TYR 33 HD1 TYR 33 6.440 2.640 6.953 242 HD2 TYR 33 HD2 TYR 33 7.331 -1.498 7.300 243 HE1 TYR 33 HE1 TYR 33 7.390 2.663 4.685 244 HE2 TYR 33 HE2 TYR 33 8.282 -1.487 5.033 245 HH TYR 33 HH TYR 33 9.046 1.314 3.366 246 H GLY 34 H GLY 34 4.299 2.175 10.339 247 HA2 GLY 34 HA2 GLY 34 4.204 0.560 12.782 248 HA3 GLY 34 HA3 GLY 34 4.538 2.285 12.716 249 H THR 35 H THR 35 1.922 0.667 10.963 250 HA THR 35 HA THR 35 0.036 2.511 11.884 251 HB THR 35 HB THR 35 0.074 0.224 10.092 252 HG1 THR 35 HG1 THR 35 -1.877 1.956 9.583 253 HG21 THR 35 HG21 THR 35 -2.397 -0.116 10.131 254 HG22 THR 35 HG22 THR 35 -2.430 0.774 11.661 255 HG23 THR 35 HG23 THR 35 -1.546 -0.744 11.543 256 H SER 36 H SER 36 -1.300 2.520 13.515 257 HA SER 36 HA SER 36 -0.975 0.600 15.632 258 HB2 SER 36 HB2 SER 36 -2.703 3.067 15.396 259 HB3 SER 36 HB3 SER 36 -2.511 2.109 16.863 260 HG SER 36 HG SER 36 -1.065 3.814 16.936 261 H MET 37 H MET 37 -2.676 -0.639 16.560 262 HA MET 37 HA MET 37 -4.209 -2.144 14.855 263 HB2 MET 37 HB2 MET 37 -5.444 -2.953 16.754 264 HB3 MET 37 HB3 MET 37 -3.772 -2.700 17.226 265 HG2 MET 37 HG2 MET 37 -4.384 -0.608 18.320 266 HG3 MET 37 HG3 MET 37 -6.059 -0.831 17.825 267 HE1 MET 37 HE1 MET 37 -5.233 -0.258 20.808 268 HE2 MET 37 HE2 MET 37 -6.191 -1.440 21.698 269 HE3 MET 37 HE3 MET 37 -6.908 -0.564 20.347 270 H ALA 38 H ALA 38 -5.123 0.915 16.260 271 HA ALA 38 HA ALA 38 -7.887 0.789 15.782 272 HB1 ALA 38 HB1 ALA 38 -6.873 2.424 17.293 273 HB2 ALA 38 HB2 ALA 38 -7.894 3.193 16.072 274 HB3 ALA 38 HB3 ALA 38 -6.139 3.237 15.907 275 H LYS 39 H LYS 39 -5.218 1.692 13.707 276 HA LYS 39 HA LYS 39 -6.643 3.199 11.803 277 HB2 LYS 39 HB2 LYS 39 -4.164 1.509 11.428 278 HB3 LYS 39 HB3 LYS 39 -4.749 2.716 10.303 279 HG2 LYS 39 HG2 LYS 39 -3.854 3.285 13.121 280 HG3 LYS 39 HG3 LYS 39 -2.873 3.513 11.673 281 HD2 LYS 39 HD2 LYS 39 -4.549 5.111 10.830 282 HD3 LYS 39 HD3 LYS 39 -5.464 4.904 12.323 283 HE2 LYS 39 HE2 LYS 39 -3.571 5.736 13.615 284 HE3 LYS 39 HE3 LYS 39 -2.634 5.924 12.135 285 HZ1 LYS 39 HZ1 LYS 39 -5.131 7.384 12.813 286 HZ2 LYS 39 HZ2 LYS 39 -4.274 7.535 11.367 287 HZ3 LYS 39 HZ3 LYS 39 -3.564 8.022 12.821 288 H LEU 40 H LEU 40 -5.958 -0.226 12.052 289 HA LEU 40 HA LEU 40 -7.291 -0.754 9.544 290 HB2 LEU 40 HB2 LEU 40 -6.680 -3.136 9.958 291 HB3 LEU 40 HB3 LEU 40 -5.334 -2.032 9.803 292 HG LEU 40 HG LEU 40 -6.326 -2.873 12.526 293 HD11 LEU 40 HD11 LEU 40 -4.644 -4.654 12.476 294 HD12 LEU 40 HD12 LEU 40 -4.298 -4.289 10.787 295 HD13 LEU 40 HD13 LEU 40 -5.881 -4.918 11.249 296 HD21 LEU 40 HD21 LEU 40 -3.866 -1.645 11.368 297 HD22 LEU 40 HD22 LEU 40 -3.758 -2.597 12.844 298 HD23 LEU 40 HD23 LEU 40 -4.790 -1.172 12.797 299 H LYS 41 H LYS 41 -7.796 -1.494 12.966 300 HA LYS 41 HA LYS 41 -10.051 -3.143 12.638 301 HB2 LYS 41 HB2 LYS 41 -9.109 -1.454 14.921 302 HB3 LYS 41 HB3 LYS 41 -10.479 -2.550 15.023 303 HG2 LYS 41 HG2 LYS 41 -9.130 -4.437 14.701 304 HG3 LYS 41 HG3 LYS 41 -7.746 -3.455 14.202 305 HD2 LYS 41 HD2 LYS 41 -7.393 -4.189 16.440 306 HD3 LYS 41 HD3 LYS 41 -7.724 -2.453 16.430 307 HE2 LYS 41 HE2 LYS 41 -10.037 -2.871 17.091 308 HE3 LYS 41 HE3 LYS 41 -9.748 -4.609 17.057 309 HZ1 LYS 41 HZ1 LYS 41 -8.076 -4.260 18.820 310 HZ2 LYS 41 HZ2 LYS 41 -9.633 -3.856 19.298 311 HZ3 LYS 41 HZ3 LYS 41 -8.531 -2.636 18.909 312 H LYS 42 H LYS 42 -9.823 0.273 13.340 313 HA LYS 42 HA LYS 42 -12.593 0.727 13.354 314 HB2 LYS 42 HB2 LYS 42 -10.955 2.370 14.185 315 HB3 LYS 42 HB3 LYS 42 -10.384 2.629 12.543 316 HG2 LYS 42 HG2 LYS 42 -12.613 3.464 11.924 317 HG3 LYS 42 HG3 LYS 42 -13.133 3.261 13.595 318 HD2 LYS 42 HD2 LYS 42 -10.839 5.009 12.708 319 HD3 LYS 42 HD3 LYS 42 -12.473 5.591 13.025 320 HE2 LYS 42 HE2 LYS 42 -12.275 4.768 15.349 321 HE3 LYS 42 HE3 LYS 42 -10.615 4.280 15.011 322 HZ1 LYS 42 HZ1 LYS 42 -10.644 6.415 16.095 323 HZ2 LYS 42 HZ2 LYS 42 -11.681 7.050 14.927 324 HZ3 LYS 42 HZ3 LYS 42 -10.106 6.618 14.506 325 H SER 43 H SER 43 -10.214 0.682 10.805 326 HA SER 43 HA SER 43 -11.924 1.705 8.785 327 HB2 SER 43 HB2 SER 43 -9.264 0.294 8.729 328 HB3 SER 43 HB3 SER 43 -10.078 0.829 7.243 329 HG SER 43 HG SER 43 -8.678 2.236 9.094 330 H TYR 44 H TYR 44 -10.783 -1.645 9.400 331 HA TYR 44 HA TYR 44 -12.291 -2.783 7.304 332 HB2 TYR 44 HB2 TYR 44 -10.322 -3.818 8.367 333 HB3 TYR 44 HB3 TYR 44 -11.264 -4.083 9.819 334 HD1 TYR 44 HD1 TYR 44 -10.500 -5.314 6.489 335 HD2 TYR 44 HD2 TYR 44 -13.154 -5.691 9.794 336 HE1 TYR 44 HE1 TYR 44 -11.259 -7.489 5.622 337 HE2 TYR 44 HE2 TYR 44 -13.915 -7.869 8.945 338 HH TYR 44 HH TYR 44 -12.302 -9.540 6.456 339 H ALA 45 H ALA 45 -12.908 -2.541 10.768 340 HA ALA 45 HA ALA 45 -15.274 -4.035 10.743 341 HB1 ALA 45 HB1 ALA 45 -15.800 -3.025 12.871 342 HB2 ALA 45 HB2 ALA 45 -14.593 -1.766 12.597 343 HB3 ALA 45 HB3 ALA 45 -14.089 -3.444 12.801 344 H ASP 46 H ASP 46 -14.598 -0.740 10.019 345 HA ASP 46 HA ASP 46 -17.287 0.233 10.083 346 HB2 ASP 46 HB2 ASP 46 -15.380 1.748 10.204 347 HB3 ASP 46 HB3 ASP 46 -14.910 1.309 8.567 348 H ARG 47 H ARG 47 -15.202 -0.895 7.462 349 HA ARG 47 HA ARG 47 -17.084 -0.386 5.400 350 HB2 ARG 47 HB2 ARG 47 -15.559 -1.478 3.933 351 HB3 ARG 47 HB3 ARG 47 -14.594 -0.620 5.124 352 HG2 ARG 47 HG2 ARG 47 -14.293 -2.719 6.359 353 HG3 ARG 47 HG3 ARG 47 -15.172 -3.562 5.084 354 HD2 ARG 47 HD2 ARG 47 -12.605 -2.018 4.749 355 HD3 ARG 47 HD3 ARG 47 -12.779 -3.773 4.806 356 HE ARG 47 HE ARG 47 -13.920 -3.690 2.714 357 HH11 ARG 47 HH11 ARG 47 -12.386 -0.643 3.630 358 HH12 ARG 47 HH12 ARG 47 -12.319 -0.060 2.005 359 HH21 ARG 47 HH21 ARG 47 -13.811 -2.892 0.569 360 HH22 ARG 47 HH22 ARG 47 -13.121 -1.333 0.268 361 H THR 48 H THR 48 -16.625 -3.025 7.589 362 HA THR 48 HA THR 48 -18.339 -4.744 5.989 363 HB THR 48 HB THR 48 -16.349 -5.793 6.978 364 HG1 THR 48 HG1 THR 48 -17.503 -7.542 8.072 365 HG21 THR 48 HG21 THR 48 -16.082 -4.485 8.970 366 HG22 THR 48 HG22 THR 48 -16.251 -6.186 9.416 367 HG23 THR 48 HG23 THR 48 -17.615 -5.081 9.611 368 H GLY 49 H GLY 49 -18.695 -2.411 8.357 369 HA2 GLY 49 HA2 GLY 49 -20.590 -1.674 9.436 370 HA3 GLY 49 HA3 GLY 49 -21.484 -2.933 8.601 371 H VAL 50 H VAL 50 -18.751 -3.324 10.809 372 HA VAL 50 HA VAL 50 -20.593 -4.635 12.683 373 HB VAL 50 HB VAL 50 -19.042 -6.161 11.256 374 HG11 VAL 50 HG11 VAL 50 -16.987 -4.916 11.570 375 HG12 VAL 50 HG12 VAL 50 -16.838 -6.567 12.163 376 HG13 VAL 50 HG13 VAL 50 -17.043 -5.239 13.307 377 HG21 VAL 50 HG21 VAL 50 -20.407 -6.726 13.304 378 HG22 VAL 50 HG22 VAL 50 -18.904 -6.568 14.222 379 HG23 VAL 50 HG23 VAL 50 -19.046 -7.776 12.942 380 H ALA 51 H ALA 51 -19.716 -4.753 14.921 381 HA ALA 51 HA ALA 51 -18.873 -2.252 15.844 382 HB1 ALA 51 HB1 ALA 51 -20.085 -3.857 17.252 383 HB2 ALA 51 HB2 ALA 51 -18.578 -3.351 18.017 384 HB3 ALA 51 HB3 ALA 51 -18.684 -4.930 17.237 385 H VAL 52 H VAL 52 -16.943 -1.360 16.113 386 HA VAL 52 HA VAL 52 -14.671 -2.395 14.831 387 HB VAL 52 HB VAL 52 -14.927 -0.157 16.853 388 HG11 VAL 52 HG11 VAL 52 -12.724 0.603 16.089 389 HG12 VAL 52 HG12 VAL 52 -12.565 -0.861 15.117 390 HG13 VAL 52 HG13 VAL 52 -12.644 -0.974 16.875 391 HG21 VAL 52 HG21 VAL 52 -16.142 0.217 14.772 392 HG22 VAL 52 HG22 VAL 52 -14.676 -0.111 13.847 393 HG23 VAL 52 HG23 VAL 52 -14.758 1.303 14.896 394 H ASN 53 H ASN 53 -15.558 -2.214 18.220 395 HA ASN 53 HA ASN 53 -13.138 -3.256 19.229 396 HB2 ASN 53 HB2 ASN 53 -15.901 -3.053 20.412 397 HB3 ASN 53 HB3 ASN 53 -14.527 -3.697 21.306 398 HD21 ASN 53 HD21 ASN 53 -16.134 -1.351 21.847 399 HD22 ASN 53 HD22 ASN 53 -15.048 -0.008 21.871 400 H SER 54 H SER 54 -16.079 -4.790 18.067 401 HA SER 54 HA SER 54 -15.415 -7.344 19.192 402 HB2 SER 54 HB2 SER 54 -17.337 -8.196 17.999 403 HB3 SER 54 HB3 SER 54 -17.759 -6.667 18.765 404 HG SER 54 HG SER 54 -16.884 -6.045 16.367 405 H LEU 55 H LEU 55 -14.370 -5.644 16.486 406 HA LEU 55 HA LEU 55 -13.685 -8.033 14.956 407 HB2 LEU 55 HB2 LEU 55 -14.675 -5.777 14.032 408 HB3 LEU 55 HB3 LEU 55 -13.037 -5.190 14.197 409 HG LEU 55 HG LEU 55 -13.588 -5.863 11.891 410 HD11 LEU 55 HD11 LEU 55 -11.634 -7.238 11.449 411 HD12 LEU 55 HD12 LEU 55 -11.506 -7.614 13.167 412 HD13 LEU 55 HD13 LEU 55 -11.278 -5.958 12.608 413 HD21 LEU 55 HD21 LEU 55 -13.793 -8.663 12.988 414 HD22 LEU 55 HD22 LEU 55 -13.925 -8.180 11.298 415 HD23 LEU 55 HD23 LEU 55 -15.155 -7.679 12.457 416 H ARG 56 H ARG 56 -11.531 -8.698 14.750 417 HA ARG 56 HA ARG 56 -9.547 -7.042 16.077 418 HB2 ARG 56 HB2 ARG 56 -8.699 -8.913 17.414 419 HB3 ARG 56 HB3 ARG 56 -10.343 -8.486 17.858 420 HG2 ARG 56 HG2 ARG 56 -9.945 -10.669 15.876 421 HG3 ARG 56 HG3 ARG 56 -9.588 -10.996 17.571 422 HD2 ARG 56 HD2 ARG 56 -12.204 -9.890 16.541 423 HD3 ARG 56 HD3 ARG 56 -11.913 -11.591 16.918 424 HE ARG 56 HE ARG 56 -11.333 -9.778 19.078 425 HH11 ARG 56 HH11 ARG 56 -13.815 -11.759 17.555 426 HH12 ARG 56 HH12 ARG 56 -14.813 -11.807 18.965 427 HH21 ARG 56 HH21 ARG 56 -12.672 -9.828 20.935 428 HH22 ARG 56 HH22 ARG 56 -14.161 -10.701 20.891 429 H PHE 57 H PHE 57 -7.524 -7.319 15.407 430 HA PHE 57 HA PHE 57 -7.078 -9.228 13.213 431 HB2 PHE 57 HB2 PHE 57 -5.942 -6.470 13.662 432 HB3 PHE 57 HB3 PHE 57 -5.322 -7.603 12.468 433 HD1 PHE 57 HD1 PHE 57 -8.131 -5.458 13.391 434 HD2 PHE 57 HD2 PHE 57 -6.490 -8.030 10.468 435 HE1 PHE 57 HE1 PHE 57 -9.752 -4.624 11.738 436 HE2 PHE 57 HE2 PHE 57 -8.098 -7.192 8.826 437 HZ PHE 57 HZ PHE 57 -9.727 -5.494 9.459 438 H LEU 58 H LEU 58 -5.248 -10.409 13.297 439 HA LEU 58 HA LEU 58 -3.527 -9.984 15.630 440 HB2 LEU 58 HB2 LEU 58 -4.891 -12.471 14.739 441 HB3 LEU 58 HB3 LEU 58 -3.278 -12.613 15.407 442 HG LEU 58 HG LEU 58 -4.144 -11.362 17.430 443 HD11 LEU 58 HD11 LEU 58 -6.547 -11.451 17.855 444 HD12 LEU 58 HD12 LEU 58 -6.808 -12.012 16.206 445 HD13 LEU 58 HD13 LEU 58 -6.147 -10.405 16.494 446 HD21 LEU 58 HD21 LEU 58 -5.108 -13.329 18.437 447 HD22 LEU 58 HD22 LEU 58 -3.715 -13.742 17.437 448 HD23 LEU 58 HD23 LEU 58 -5.350 -14.046 16.844 449 H PHE 59 H PHE 59 -1.383 -10.400 15.380 450 HA PHE 59 HA PHE 59 -0.542 -11.199 12.694 451 HB2 PHE 59 HB2 PHE 59 -0.361 -8.666 13.253 452 HB3 PHE 59 HB3 PHE 59 1.020 -9.067 14.238 453 HD1 PHE 59 HD1 PHE 59 1.080 -7.278 11.758 454 HD2 PHE 59 HD2 PHE 59 1.705 -11.479 12.223 455 HE1 PHE 59 HE1 PHE 59 2.422 -7.331 9.697 456 HE2 PHE 59 HE2 PHE 59 3.059 -11.503 10.179 457 HZ PHE 59 HZ PHE 59 3.413 -9.431 8.913 458 H ASP 60 H ASP 60 0.591 -12.979 12.820 459 HA ASP 60 HA ASP 60 1.869 -14.682 13.577 460 HB2 ASP 60 HB2 ASP 60 2.939 -12.603 15.482 461 HB3 ASP 60 HB3 ASP 60 3.546 -14.252 15.405 462 H GLY 61 H GLY 61 -0.746 -13.949 14.676 463 HA2 GLY 61 HA2 GLY 61 -2.196 -15.233 15.947 464 HA3 GLY 61 HA3 GLY 61 -0.809 -16.074 16.621 465 H ARG 62 H ARG 62 -0.550 -12.701 16.766 466 HA ARG 62 HA ARG 62 -1.588 -12.764 19.493 467 HB2 ARG 62 HB2 ARG 62 0.273 -11.241 20.130 468 HB3 ARG 62 HB3 ARG 62 0.780 -12.850 19.624 469 HG2 ARG 62 HG2 ARG 62 2.345 -11.530 18.608 470 HG3 ARG 62 HG3 ARG 62 1.151 -11.730 17.326 471 HD2 ARG 62 HD2 ARG 62 1.743 -9.417 17.356 472 HD3 ARG 62 HD3 ARG 62 0.142 -9.550 18.072 473 HE ARG 62 HE ARG 62 2.145 -9.697 20.071 474 HH11 ARG 62 HH11 ARG 62 0.552 -7.489 17.916 475 HH12 ARG 62 HH12 ARG 62 0.715 -6.127 18.985 476 HH21 ARG 62 HH21 ARG 62 2.430 -7.904 21.467 477 HH22 ARG 62 HH22 ARG 62 1.831 -6.349 20.982 478 H ARG 63 H ARG 63 -2.521 -10.872 20.265 479 HA ARG 63 HA ARG 63 -4.009 -9.518 18.299 480 HB2 ARG 63 HB2 ARG 63 -3.809 -9.319 21.274 481 HB3 ARG 63 HB3 ARG 63 -4.694 -8.097 20.372 482 HG2 ARG 63 HG2 ARG 63 -6.289 -9.681 21.062 483 HG3 ARG 63 HG3 ARG 63 -6.008 -9.975 19.349 484 HD2 ARG 63 HD2 ARG 63 -4.522 -11.833 19.908 485 HD3 ARG 63 HD3 ARG 63 -4.799 -11.537 21.627 486 HE ARG 63 HE ARG 63 -7.287 -11.860 20.462 487 HH11 ARG 63 HH11 ARG 63 -4.431 -13.833 21.019 488 HH12 ARG 63 HH12 ARG 63 -5.313 -15.318 21.003 489 HH21 ARG 63 HH21 ARG 63 -8.437 -13.831 20.433 490 HH22 ARG 63 HH22 ARG 63 -7.589 -15.322 20.666 491 H ILE 64 H ILE 64 -3.745 -7.710 17.325 492 HA ILE 64 HA ILE 64 -1.269 -6.237 17.606 493 HB ILE 64 HB ILE 64 -3.684 -5.767 15.830 494 HG12 ILE 64 HG12 ILE 64 -1.021 -7.020 15.141 495 HG13 ILE 64 HG13 ILE 64 -2.476 -7.938 15.505 496 HG21 ILE 64 HG21 ILE 64 -2.372 -3.726 16.129 497 HG22 ILE 64 HG22 ILE 64 -2.197 -4.347 14.489 498 HG23 ILE 64 HG23 ILE 64 -0.908 -4.591 15.667 499 HD11 ILE 64 HD11 ILE 64 -3.584 -6.838 13.585 500 HD12 ILE 64 HD12 ILE 64 -2.195 -7.822 13.137 501 HD13 ILE 64 HD13 ILE 64 -2.050 -6.062 13.193 502 H ASN 65 H ASN 65 -0.956 -4.547 18.842 503 HA ASN 65 HA ASN 65 -3.256 -2.943 19.710 504 HB2 ASN 65 HB2 ASN 65 -0.652 -3.492 21.150 505 HB3 ASN 65 HB3 ASN 65 -1.876 -2.357 21.697 506 HD21 ASN 65 HD21 ASN 65 -4.158 -3.897 21.069 507 HD22 ASN 65 HD22 ASN 65 -4.202 -5.245 22.152 508 H ASP 66 H ASP 66 -2.410 -0.640 20.372 509 HA ASP 66 HA ASP 66 -1.415 0.404 17.879 510 HB2 ASP 66 HB2 ASP 66 -1.949 2.571 18.722 511 HB3 ASP 66 HB3 ASP 66 -3.250 1.479 19.180 512 H ASP 67 H ASP 67 0.163 -0.634 20.667 513 HA ASP 67 HA ASP 67 2.397 1.226 20.128 514 HB2 ASP 67 HB2 ASP 67 1.290 1.322 22.425 515 HB3 ASP 67 HB3 ASP 67 2.034 -0.244 22.733 516 H ASP 68 H ASP 68 1.671 -1.564 19.054 517 HA ASP 68 HA ASP 68 3.958 -3.090 19.900 518 HB2 ASP 68 HB2 ASP 68 1.804 -3.729 17.938 519 HB3 ASP 68 HB3 ASP 68 3.112 -4.821 18.372 520 H THR 69 H THR 69 5.088 -4.391 17.894 521 HA THR 69 HA THR 69 6.681 -2.212 16.809 522 HB THR 69 HB THR 69 8.262 -4.017 16.170 523 HG1 THR 69 HG1 THR 69 7.298 -6.068 17.523 524 HG21 THR 69 HG21 THR 69 8.885 -4.727 18.441 525 HG22 THR 69 HG22 THR 69 7.314 -4.189 19.036 526 HG23 THR 69 HG23 THR 69 8.462 -3.016 18.393 527 HA PRO 70 HA PRO 70 5.095 -2.219 12.698 528 HB2 PRO 70 HB2 PRO 70 7.383 -2.534 11.169 529 HB3 PRO 70 HB3 PRO 70 6.842 -1.013 11.876 530 HG2 PRO 70 HG2 PRO 70 8.861 -2.956 12.929 531 HG3 PRO 70 HG3 PRO 70 8.946 -1.185 12.853 532 HD2 PRO 70 HD2 PRO 70 8.363 -2.381 15.142 533 HD3 PRO 70 HD3 PRO 70 7.474 -0.922 14.654 534 H LYS 71 H LYS 71 6.926 -4.941 13.798 535 HA LYS 71 HA LYS 71 6.514 -6.505 11.532 536 HB2 LYS 71 HB2 LYS 71 8.445 -6.967 12.866 537 HB3 LYS 71 HB3 LYS 71 7.516 -6.989 14.345 538 HG2 LYS 71 HG2 LYS 71 7.262 -9.080 12.196 539 HG3 LYS 71 HG3 LYS 71 8.378 -9.206 13.560 540 HD2 LYS 71 HD2 LYS 71 5.448 -8.761 13.779 541 HD3 LYS 71 HD3 LYS 71 6.183 -10.380 13.926 542 HE2 LYS 71 HE2 LYS 71 6.516 -7.948 15.675 543 HE3 LYS 71 HE3 LYS 71 5.661 -9.424 16.088 544 HZ1 LYS 71 HZ1 LYS 71 7.816 -9.461 17.129 545 HZ2 LYS 71 HZ2 LYS 71 8.592 -9.157 15.662 546 HZ3 LYS 71 HZ3 LYS 71 7.806 -10.626 15.905 547 H THR 72 H THR 72 4.758 -6.022 14.484 548 HA THR 72 HA THR 72 2.920 -8.133 13.715 549 HB THR 72 HB THR 72 3.455 -8.454 15.990 550 HG1 THR 72 HG1 THR 72 0.991 -7.356 15.393 551 HG21 THR 72 HG21 THR 72 3.342 -6.675 17.669 552 HG22 THR 72 HG22 THR 72 2.970 -5.507 16.399 553 HG23 THR 72 HG23 THR 72 4.535 -6.319 16.421 554 H LEU 73 H LEU 73 3.635 -5.128 13.470 555 HA LEU 73 HA LEU 73 1.043 -3.939 13.505 556 HB2 LEU 73 HB2 LEU 73 3.784 -3.277 13.290 557 HB3 LEU 73 HB3 LEU 73 2.581 -2.049 12.854 558 HG LEU 73 HG LEU 73 3.382 -2.920 15.527 559 HD11 LEU 73 HD11 LEU 73 1.609 -0.675 14.589 560 HD12 LEU 73 HD12 LEU 73 3.353 -0.595 14.839 561 HD13 LEU 73 HD13 LEU 73 2.276 -0.853 16.211 562 HD21 LEU 73 HD21 LEU 73 0.417 -3.015 14.894 563 HD22 LEU 73 HD22 LEU 73 1.081 -3.026 16.502 564 HD23 LEU 73 HD23 LEU 73 1.412 -4.392 15.405 565 H GLU 74 H GLU 74 2.039 -5.824 11.412 566 HA GLU 74 HA GLU 74 1.207 -5.957 9.240 567 HB2 GLU 74 HB2 GLU 74 0.542 -3.360 10.151 568 HB3 GLU 74 HB3 GLU 74 0.389 -3.618 8.410 569 HG2 GLU 74 HG2 GLU 74 -1.136 -5.573 9.025 570 HG3 GLU 74 HG3 GLU 74 -1.058 -4.994 10.688 571 H MET 75 H MET 75 3.577 -5.963 9.442 572 HA MET 75 HA MET 75 5.342 -4.336 8.402 573 HB2 MET 75 HB2 MET 75 5.104 -7.226 7.859 574 HB3 MET 75 HB3 MET 75 6.537 -6.251 7.506 575 HG2 MET 75 HG2 MET 75 6.466 -5.468 9.899 576 HG3 MET 75 HG3 MET 75 5.235 -6.646 10.186 577 HE1 MET 75 HE1 MET 75 5.554 -9.240 10.173 578 HE2 MET 75 HE2 MET 75 7.003 -10.064 9.599 579 HE3 MET 75 HE3 MET 75 6.002 -9.153 8.470 580 H GLU 76 H GLU 76 6.421 -5.269 6.000 581 HA GLU 76 HA GLU 76 5.532 -2.853 4.805 582 HB2 GLU 76 HB2 GLU 76 7.489 -3.085 3.419 583 HB3 GLU 76 HB3 GLU 76 7.897 -3.363 5.108 584 HG2 GLU 76 HG2 GLU 76 7.914 -5.752 4.744 585 HG3 GLU 76 HG3 GLU 76 7.426 -5.517 3.068 586 H ASP 77 H ASP 77 5.899 -2.943 2.339 587 HA ASP 77 HA ASP 77 3.610 -3.303 1.215 588 HB2 ASP 77 HB2 ASP 77 5.240 -2.361 -0.106 589 HB3 ASP 77 HB3 ASP 77 6.292 -3.764 0.010 590 H ASP 78 H ASP 78 2.429 -4.801 1.949 591 HA ASP 78 HA ASP 78 0.960 -6.392 1.292 592 HB2 ASP 78 HB2 ASP 78 1.957 -6.213 -0.961 593 HB3 ASP 78 HB3 ASP 78 3.118 -7.460 -0.518 594 H ASP 79 H ASP 79 2.879 -6.569 3.630 595 HA ASP 79 HA ASP 79 3.285 -9.385 3.887 596 HB2 ASP 79 HB2 ASP 79 4.340 -7.421 5.333 597 HB3 ASP 79 HB3 ASP 79 2.945 -7.696 6.359 598 H VAL 80 H VAL 80 2.108 -10.302 6.135 599 HA VAL 80 HA VAL 80 -0.663 -10.467 5.159 600 HB VAL 80 HB VAL 80 -0.706 -12.755 5.993 601 HG11 VAL 80 HG11 VAL 80 1.623 -12.077 4.208 602 HG12 VAL 80 HG12 VAL 80 -0.036 -12.414 3.711 603 HG13 VAL 80 HG13 VAL 80 0.958 -13.700 4.400 604 HG21 VAL 80 HG21 VAL 80 0.798 -12.593 7.863 605 HG22 VAL 80 HG22 VAL 80 2.138 -12.173 6.801 606 HG23 VAL 80 HG23 VAL 80 1.440 -13.797 6.741 607 H ILE 81 H ILE 81 -2.342 -10.807 6.568 608 HA ILE 81 HA ILE 81 -1.929 -10.255 9.398 609 HB ILE 81 HB ILE 81 -3.505 -8.649 7.460 610 HG12 ILE 81 HG12 ILE 81 -1.386 -7.828 8.296 611 HG13 ILE 81 HG13 ILE 81 -2.714 -6.801 8.830 612 HG21 ILE 81 HG21 ILE 81 -4.373 -8.974 10.316 613 HG22 ILE 81 HG22 ILE 81 -5.275 -9.413 8.859 614 HG23 ILE 81 HG23 ILE 81 -4.931 -7.720 9.203 615 HD11 ILE 81 HD11 ILE 81 -1.158 -7.101 10.631 616 HD12 ILE 81 HD12 ILE 81 -1.249 -8.850 10.479 617 HD13 ILE 81 HD13 ILE 81 -2.660 -7.939 11.020 618 H GLU 82 H GLU 82 -3.296 -11.277 10.787 619 HA GLU 82 HA GLU 82 -5.091 -13.270 9.580 620 HB2 GLU 82 HB2 GLU 82 -3.970 -13.119 12.373 621 HB3 GLU 82 HB3 GLU 82 -4.874 -14.455 11.686 622 HG2 GLU 82 HG2 GLU 82 -3.094 -14.947 10.151 623 HG3 GLU 82 HG3 GLU 82 -2.199 -13.523 10.678 624 H VAL 83 H VAL 83 -7.227 -13.332 10.139 625 HA VAL 83 HA VAL 83 -8.170 -11.360 12.111 626 HB VAL 83 HB VAL 83 -9.508 -12.073 9.504 627 HG11 VAL 83 HG11 VAL 83 -10.478 -10.260 11.714 628 HG12 VAL 83 HG12 VAL 83 -11.177 -11.818 11.280 629 HG13 VAL 83 HG13 VAL 83 -11.253 -10.471 10.144 630 HG21 VAL 83 HG21 VAL 83 -9.203 -9.781 8.935 631 HG22 VAL 83 HG22 VAL 83 -7.642 -10.482 9.380 632 HG23 VAL 83 HG23 VAL 83 -8.513 -9.446 10.522 633 H TYR 84 H TYR 84 -9.496 -12.062 13.604 634 HA TYR 84 HA TYR 84 -10.533 -14.771 13.329 635 HB2 TYR 84 HB2 TYR 84 -9.766 -13.183 15.768 636 HB3 TYR 84 HB3 TYR 84 -10.746 -14.642 15.861 637 HD1 TYR 84 HD1 TYR 84 -7.418 -13.319 15.015 638 HD2 TYR 84 HD2 TYR 84 -9.785 -16.815 15.486 639 HE1 TYR 84 HE1 TYR 84 -5.383 -14.696 14.933 640 HE2 TYR 84 HE2 TYR 84 -7.765 -18.205 15.407 641 HH TYR 84 HH TYR 84 -4.678 -17.042 15.761 642 H GLN 85 H GLN 85 -12.675 -15.124 14.421 643 HA GLN 85 HA GLN 85 -14.435 -13.425 12.987 644 HB2 GLN 85 HB2 GLN 85 -14.632 -15.951 13.498 645 HB3 GLN 85 HB3 GLN 85 -15.354 -15.431 15.016 646 HG2 GLN 85 HG2 GLN 85 -17.094 -15.885 13.451 647 HG3 GLN 85 HG3 GLN 85 -17.023 -14.142 13.723 648 HE21 GLN 85 HE21 GLN 85 -17.937 -13.601 11.771 649 HE22 GLN 85 HE22 GLN 85 -17.137 -13.835 10.255 650 H GLU 86 H GLU 86 -16.055 -12.066 13.703 651 HA GLU 86 HA GLU 86 -15.425 -10.794 16.243 652 HB2 GLU 86 HB2 GLU 86 -16.418 -8.814 15.381 653 HB3 GLU 86 HB3 GLU 86 -15.363 -9.470 14.146 654 HG2 GLU 86 HG2 GLU 86 -18.355 -9.732 14.210 655 HG3 GLU 86 HG3 GLU 86 -17.432 -8.582 13.250 656 H GLN 87 H GLN 87 -17.191 -9.824 17.480 657 HA GLN 87 HA GLN 87 -18.996 -11.821 18.347 658 HB2 GLN 87 HB2 GLN 87 -18.026 -10.215 19.878 659 HB3 GLN 87 HB3 GLN 87 -18.833 -8.895 19.052 660 HG2 GLN 87 HG2 GLN 87 -19.964 -9.424 21.107 661 HG3 GLN 87 HG3 GLN 87 -20.994 -9.784 19.725 662 HE21 GLN 87 HE21 GLN 87 -22.249 -11.228 20.873 663 HE22 GLN 87 HE22 GLN 87 -21.674 -12.788 21.358 664 H LEU 88 H LEU 88 -19.518 -8.820 16.532 665 HA LEU 88 HA LEU 88 -22.368 -9.277 16.550 666 HB2 LEU 88 HB2 LEU 88 -20.641 -7.042 15.575 667 HB3 LEU 88 HB3 LEU 88 -22.313 -7.146 15.065 668 HG LEU 88 HG LEU 88 -22.137 -5.608 16.910 669 HD11 LEU 88 HD11 LEU 88 -24.137 -7.010 16.800 670 HD12 LEU 88 HD12 LEU 88 -23.732 -6.554 18.453 671 HD13 LEU 88 HD13 LEU 88 -23.371 -8.179 17.877 672 HD21 LEU 88 HD21 LEU 88 -20.889 -7.879 18.452 673 HD22 LEU 88 HD22 LEU 88 -21.376 -6.328 19.135 674 HD23 LEU 88 HD23 LEU 88 -20.087 -6.397 17.934 675 H GLY 89 H GLY 89 -19.878 -10.350 14.707 676 HA2 GLY 89 HA2 GLY 89 -21.513 -10.483 12.273 677 HA3 GLY 89 HA3 GLY 89 -19.782 -10.797 12.364 678 H GLY 90 H GLY 90 -19.052 -12.721 13.305 679 HA2 GLY 90 HA2 GLY 90 -19.143 -14.954 13.837 680 HA3 GLY 90 HA3 GLY 90 -20.832 -14.723 14.264
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