NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
28410 | 2yul | 11158 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 18.469 -6.654 -6.000 2 HA2 GLY 1 1HA GLY 1 18.570 -6.553 -8.295 3 HA3 GLY 1 2HA GLY 1 18.239 -8.279 -8.315 4 H SER 2 H SER 2 17.222 -5.917 -9.915 5 HA SER 2 HA SER 2 14.351 -6.157 -9.347 6 HB2 SER 2 1HB SER 2 15.520 -3.877 -9.612 7 HB3 SER 2 2HB SER 2 15.583 -4.254 -11.334 8 HG SER 2 HG SER 2 13.540 -3.802 -11.477 9 H SER 3 H SER 3 13.751 -8.054 -10.288 10 HA SER 3 HA SER 3 14.337 -8.379 -13.156 11 HB2 SER 3 1HB SER 3 13.755 -10.804 -12.749 12 HB3 SER 3 2HB SER 3 15.212 -10.243 -11.928 13 HG SER 3 HG SER 3 13.283 -11.462 -10.793 14 H GLY 4 H GLY 4 12.617 -7.046 -13.839 15 HA2 GLY 4 1HA GLY 4 10.357 -8.049 -14.769 16 HA3 GLY 4 2HA GLY 4 9.906 -7.837 -13.084 17 H SER 5 H SER 5 8.476 -6.204 -13.150 18 HA SER 5 HA SER 5 9.036 -3.850 -14.774 19 HB2 SER 5 1HB SER 5 6.631 -4.840 -13.269 20 HB3 SER 5 2HB SER 5 6.728 -3.158 -13.788 21 HG SER 5 HG SER 5 5.924 -3.984 -15.563 22 H SER 6 H SER 6 9.025 -1.717 -13.902 23 HA SER 6 HA SER 6 9.506 -1.529 -11.012 24 HB2 SER 6 1HB SER 6 11.381 0.091 -11.526 25 HB3 SER 6 2HB SER 6 11.718 -1.593 -11.926 26 HG SER 6 HG SER 6 12.159 -0.826 -13.830 27 H GLY 7 H GLY 7 9.586 0.842 -10.319 28 HA2 GLY 7 1HA GLY 7 8.501 2.855 -10.121 29 HA3 GLY 7 2HA GLY 7 8.442 2.878 -11.877 30 H ILE 8 H ILE 8 6.449 3.740 -9.884 31 HA ILE 8 HA ILE 8 4.292 1.822 -10.110 32 HB ILE 8 HB ILE 8 4.139 4.646 -9.058 33 HG12 ILE 8 1HG1 ILE 8 4.370 2.277 -7.256 34 HG13 ILE 8 2HG1 ILE 8 5.837 2.898 -8.006 35 HG21 ILE 8 1HG2 ILE 8 2.416 2.691 -7.825 36 HG22 ILE 8 2HG2 ILE 8 2.006 4.217 -8.605 37 HG23 ILE 8 3HG2 ILE 8 2.164 2.749 -9.569 38 HD11 ILE 8 3HD1 ILE 8 4.978 5.186 -7.089 39 HD12 ILE 8 1HD1 ILE 8 4.056 4.163 -5.988 40 HD13 ILE 8 2HD1 ILE 8 5.816 4.051 -6.033 41 H ARG 9 H ARG 9 2.497 1.987 -11.386 42 HA ARG 9 HA ARG 9 2.695 3.847 -13.627 43 HB2 ARG 9 1HB ARG 9 1.030 1.376 -13.151 44 HB3 ARG 9 2HB ARG 9 0.806 2.421 -14.548 45 HG2 ARG 9 1HG ARG 9 3.196 2.023 -15.137 46 HG3 ARG 9 2HG ARG 9 3.260 0.836 -13.832 47 HD2 ARG 9 1HD ARG 9 1.600 -0.519 -14.896 48 HD3 ARG 9 2HD ARG 9 1.288 0.724 -16.106 49 HE ARG 9 HE ARG 9 3.329 -1.249 -16.184 50 HH11 ARG 9 1HH1 ARG 9 2.638 2.056 -17.034 51 HH12 ARG 9 2HH1 ARG 9 3.781 2.097 -18.336 52 HH21 ARG 9 1HH2 ARG 9 4.836 -1.207 -17.896 53 HH22 ARG 9 2HH2 ARG 9 5.030 0.240 -18.826 54 H ARG 10 H ARG 10 0.240 2.739 -11.295 55 HA ARG 10 HA ARG 10 -1.139 5.316 -11.675 56 HB2 ARG 10 1HB ARG 10 -2.264 2.566 -11.162 57 HB3 ARG 10 2HB ARG 10 -3.202 4.030 -10.898 58 HG2 ARG 10 1HG ARG 10 -3.833 3.375 -13.024 59 HG3 ARG 10 2HG ARG 10 -2.596 4.595 -13.337 60 HD2 ARG 10 1HD ARG 10 -1.881 2.948 -14.747 61 HD3 ARG 10 2HD ARG 10 -1.005 2.492 -13.287 62 HE ARG 10 HE ARG 10 -2.158 0.535 -13.333 63 HH11 ARG 10 1HH1 ARG 10 -4.086 2.969 -14.908 64 HH12 ARG 10 2HH1 ARG 10 -5.370 1.877 -15.309 65 HH21 ARG 10 1HH2 ARG 10 -3.842 -0.911 -13.855 66 HH22 ARG 10 2HH2 ARG 10 -5.231 -0.329 -14.709 67 HA PRO 11 HA PRO 11 -0.597 6.146 -7.398 68 HB2 PRO 11 1HB PRO 11 -2.826 7.608 -6.878 69 HB3 PRO 11 2HB PRO 11 -1.467 8.230 -7.822 70 HG2 PRO 11 1HG PRO 11 -4.070 7.094 -8.769 71 HG3 PRO 11 2HG PRO 11 -3.193 8.520 -9.354 72 HD2 PRO 11 1HD PRO 11 -3.114 6.135 -10.633 73 HD3 PRO 11 2HD PRO 11 -1.741 7.261 -10.626 74 H MET 12 H MET 12 -1.469 5.755 -5.272 75 HA MET 12 HA MET 12 -3.657 3.785 -5.222 76 HB2 MET 12 1HB MET 12 -1.473 3.599 -3.205 77 HB3 MET 12 2HB MET 12 -2.485 2.331 -3.882 78 HG2 MET 12 1HG MET 12 -1.187 2.819 -6.072 79 HG3 MET 12 2HG MET 12 -0.014 3.574 -4.996 80 HE1 MET 12 3HE MET 12 0.197 2.445 -2.680 81 HE2 MET 12 1HE MET 12 0.219 0.705 -2.391 82 HE3 MET 12 2HE MET 12 1.631 1.501 -3.084 83 H ASN 13 H ASN 13 -4.775 3.620 -3.150 84 HA ASN 13 HA ASN 13 -4.936 6.243 -1.852 85 HB2 ASN 13 1HB ASN 13 -7.083 4.989 -0.875 86 HB3 ASN 13 2HB ASN 13 -7.097 5.782 -2.447 87 HD21 ASN 13 1HD2 ASN 13 -7.764 2.979 -0.814 88 HD22 ASN 13 2HD2 ASN 13 -7.851 1.893 -2.155 89 H ALA 14 H ALA 14 -5.936 5.835 0.541 90 HA ALA 14 HA ALA 14 -3.791 5.050 2.132 91 HB1 ALA 14 3HB ALA 14 -6.709 5.387 2.781 92 HB2 ALA 14 1HB ALA 14 -5.482 5.049 4.002 93 HB3 ALA 14 2HB ALA 14 -5.394 6.531 3.050 94 H PHE 15 H PHE 15 -6.678 3.251 1.160 95 HA PHE 15 HA PHE 15 -6.154 0.968 2.758 96 HB2 PHE 15 1HB PHE 15 -8.375 1.146 2.051 97 HB3 PHE 15 2HB PHE 15 -7.917 1.514 0.391 98 HD1 PHE 15 2HD PHE 15 -7.272 -0.257 -1.145 99 HD2 PHE 15 1HD PHE 15 -8.492 -1.119 2.841 100 HE1 PHE 15 2HE PHE 15 -7.571 -2.622 -1.752 101 HE2 PHE 15 1HE PHE 15 -8.792 -3.486 2.240 102 HZ PHE 15 HZ PHE 15 -8.333 -4.240 -0.058 103 H MET 16 H MET 16 -5.569 1.676 -0.677 104 HA MET 16 HA MET 16 -4.463 -0.757 -1.425 105 HB2 MET 16 1HB MET 16 -3.871 2.037 -2.401 106 HB3 MET 16 2HB MET 16 -3.238 0.590 -3.174 107 HG2 MET 16 1HG MET 16 -5.643 -0.164 -3.413 108 HG3 MET 16 2HG MET 16 -6.095 1.475 -2.949 109 HE1 MET 16 3HE MET 16 -4.332 -0.285 -6.595 110 HE2 MET 16 1HE MET 16 -3.004 0.682 -5.950 111 HE3 MET 16 2HE MET 16 -3.769 -0.547 -4.943 112 H VAL 17 H VAL 17 -2.724 2.171 -0.360 113 HA VAL 17 HA VAL 17 -0.150 1.203 -0.385 114 HB VAL 17 HB VAL 17 -1.312 3.052 1.703 115 HG11 VAL 17 1HG1 VAL 17 0.858 3.754 2.189 116 HG12 VAL 17 2HG1 VAL 17 1.007 2.001 2.055 117 HG13 VAL 17 3HG1 VAL 17 1.521 3.036 0.722 118 HG21 VAL 17 3HG2 VAL 17 -1.033 3.385 -1.104 119 HG22 VAL 17 1HG2 VAL 17 -1.563 4.563 0.097 120 HG23 VAL 17 2HG2 VAL 17 0.148 4.425 -0.308 121 H TRP 18 H TRP 18 -2.001 1.481 2.647 122 HA TRP 18 HA TRP 18 -0.456 -0.041 4.276 123 HB2 TRP 18 1HB TRP 18 -2.261 0.953 5.347 124 HB3 TRP 18 2HB TRP 18 -3.420 0.370 4.156 125 HD1 TRP 18 HD TRP 18 -1.685 -0.634 7.386 126 HE1 TRP 18 1HE TRP 18 -2.776 -2.784 8.289 127 HE3 TRP 18 3HE TRP 18 -4.640 -1.789 3.377 128 HZ2 TRP 18 2HZ TRP 18 -4.642 -4.714 7.416 129 HZ3 TRP 18 3HZ TRP 18 -6.048 -3.805 3.492 130 HH2 TRP 18 HH TRP 18 -6.047 -5.235 5.470 131 H ALA 19 H ALA 19 -2.672 -1.195 1.817 132 HA ALA 19 HA ALA 19 -2.579 -3.938 2.595 133 HB1 ALA 19 3HB ALA 19 -4.428 -3.650 1.328 134 HB2 ALA 19 1HB ALA 19 -3.689 -2.390 0.340 135 HB3 ALA 19 2HB ALA 19 -3.325 -4.086 0.023 136 H LYS 20 H LYS 20 -0.874 -1.992 0.175 137 HA LYS 20 HA LYS 20 0.480 -3.719 -1.338 138 HB2 LYS 20 1HB LYS 20 2.078 -2.102 -1.678 139 HB3 LYS 20 2HB LYS 20 0.812 -1.136 -0.932 140 HG2 LYS 20 1HG LYS 20 2.094 -1.787 1.278 141 HG3 LYS 20 2HG LYS 20 3.439 -1.991 0.154 142 HD2 LYS 20 1HD LYS 20 1.770 0.489 0.056 143 HD3 LYS 20 2HD LYS 20 3.032 0.322 1.280 144 HE2 LYS 20 1HE LYS 20 3.683 -0.261 -1.572 145 HE3 LYS 20 2HE LYS 20 3.546 1.418 -1.051 146 HZ1 LYS 20 3HZ LYS 20 5.730 -0.259 -0.764 147 HZ2 LYS 20 1HZ LYS 20 5.107 -0.044 0.795 148 HZ3 LYS 20 2HZ LYS 20 5.543 1.300 -0.134 149 H ASP 21 H ASP 21 1.007 -3.260 2.096 150 HA ASP 21 HA ASP 21 3.248 -5.124 2.101 151 HB2 ASP 21 1HB ASP 21 3.202 -3.007 3.502 152 HB3 ASP 21 2HB ASP 21 1.973 -3.791 4.492 153 H GLU 22 H GLU 22 -0.066 -4.879 3.311 154 HA GLU 22 HA GLU 22 -0.083 -7.347 4.692 155 HB2 GLU 22 1HB GLU 22 -2.389 -5.802 3.490 156 HB3 GLU 22 2HB GLU 22 -2.539 -7.120 4.644 157 HG2 GLU 22 1HG GLU 22 -1.647 -4.323 5.062 158 HG3 GLU 22 2HG GLU 22 -2.715 -5.329 6.038 159 H ARG 23 H ARG 23 -1.493 -6.471 1.532 160 HA ARG 23 HA ARG 23 -2.493 -8.801 0.651 161 HB2 ARG 23 1HB ARG 23 -2.353 -6.687 -0.668 162 HB3 ARG 23 2HB ARG 23 -0.676 -7.070 -1.032 163 HG2 ARG 23 1HG ARG 23 -1.694 -9.306 -1.930 164 HG3 ARG 23 2HG ARG 23 -3.172 -8.347 -2.029 165 HD2 ARG 23 1HD ARG 23 -2.200 -6.817 -3.534 166 HD3 ARG 23 2HD ARG 23 -0.571 -7.404 -3.199 167 HE ARG 23 HE ARG 23 -1.857 -9.571 -4.227 168 HH11 ARG 23 1HH1 ARG 23 -1.341 -6.300 -5.303 169 HH12 ARG 23 2HH1 ARG 23 -1.355 -6.713 -6.985 170 HH21 ARG 23 1HH2 ARG 23 -1.876 -10.127 -6.439 171 HH22 ARG 23 2HH2 ARG 23 -1.660 -8.890 -7.630 172 H LYS 24 H LYS 24 0.958 -7.957 0.510 173 HA LYS 24 HA LYS 24 2.014 -10.126 -0.750 174 HB2 LYS 24 1HB LYS 24 3.102 -8.722 1.696 175 HB3 LYS 24 2HB LYS 24 4.033 -9.822 0.689 176 HG2 LYS 24 1HG LYS 24 3.272 -8.182 -1.224 177 HG3 LYS 24 2HG LYS 24 3.103 -7.058 0.126 178 HD2 LYS 24 1HD LYS 24 5.294 -6.724 -0.608 179 HD3 LYS 24 2HD LYS 24 5.475 -7.803 0.777 180 HE2 LYS 24 1HE LYS 24 5.412 -9.709 -0.917 181 HE3 LYS 24 2HE LYS 24 5.641 -8.468 -2.149 182 HZ1 LYS 24 3HZ LYS 24 7.750 -8.001 -1.416 183 HZ2 LYS 24 1HZ LYS 24 7.680 -9.667 -1.129 184 HZ3 LYS 24 2HZ LYS 24 7.471 -8.579 0.149 185 H ARG 25 H ARG 25 1.154 -9.932 2.691 186 HA ARG 25 HA ARG 25 1.983 -12.534 3.375 187 HB2 ARG 25 1HB ARG 25 1.082 -12.119 5.447 188 HB3 ARG 25 2HB ARG 25 1.246 -10.474 4.849 189 HG2 ARG 25 1HG ARG 25 -1.211 -10.936 3.980 190 HG3 ARG 25 2HG ARG 25 -1.191 -12.095 5.310 191 HD2 ARG 25 1HD ARG 25 -0.434 -10.246 6.808 192 HD3 ARG 25 2HD ARG 25 -0.675 -9.130 5.465 193 HE ARG 25 HE ARG 25 -2.904 -9.159 5.928 194 HH11 ARG 25 1HH1 ARG 25 -1.465 -12.038 7.254 195 HH12 ARG 25 2HH1 ARG 25 -2.925 -12.574 8.016 196 HH21 ARG 25 1HH2 ARG 25 -4.833 -9.854 6.927 197 HH22 ARG 25 2HH2 ARG 25 -4.841 -11.332 7.828 198 H LEU 26 H LEU 26 -0.976 -11.285 1.987 199 HA LEU 26 HA LEU 26 -2.548 -13.619 2.399 200 HB2 LEU 26 1HB LEU 26 -2.894 -11.523 0.264 201 HB3 LEU 26 2HB LEU 26 -4.122 -12.626 0.881 202 HG LEU 26 HG LEU 26 -2.888 -10.271 2.298 203 HD11 LEU 26 1HD1 LEU 26 -4.591 -9.513 0.885 204 HD12 LEU 26 2HD1 LEU 26 -5.366 -9.684 2.459 205 HD13 LEU 26 3HD1 LEU 26 -5.613 -10.911 1.218 206 HD21 LEU 26 3HD2 LEU 26 -4.360 -10.872 4.186 207 HD22 LEU 26 1HD2 LEU 26 -3.097 -12.069 3.898 208 HD23 LEU 26 2HD2 LEU 26 -4.750 -12.388 3.371 209 H ALA 27 H ALA 27 -0.615 -12.421 -0.317 210 HA ALA 27 HA ALA 27 -1.265 -14.359 -2.204 211 HB1 ALA 27 3HB ALA 27 0.937 -12.456 -1.803 212 HB2 ALA 27 1HB ALA 27 1.325 -13.852 -2.809 213 HB3 ALA 27 2HB ALA 27 -0.023 -12.799 -3.242 214 H GLN 28 H GLN 28 1.396 -14.360 0.163 215 HA GLN 28 HA GLN 28 2.368 -16.923 -0.547 216 HB2 GLN 28 1HB GLN 28 3.612 -16.800 1.591 217 HB3 GLN 28 2HB GLN 28 3.792 -15.348 0.615 218 HG2 GLN 28 1HG GLN 28 2.597 -14.052 2.066 219 HG3 GLN 28 2HG GLN 28 1.657 -15.411 2.679 220 HE21 GLN 28 1HE2 GLN 28 2.141 -14.518 4.778 221 HE22 GLN 28 2HE2 GLN 28 3.650 -14.885 5.534 222 H GLN 29 H GLN 29 -0.028 -15.802 1.760 223 HA GLN 29 HA GLN 29 -0.315 -18.287 3.123 224 HB2 GLN 29 1HB GLN 29 -1.772 -15.698 3.055 225 HB3 GLN 29 2HB GLN 29 -2.655 -17.101 3.640 226 HG2 GLN 29 1HG GLN 29 -0.857 -17.498 5.286 227 HG3 GLN 29 2HG GLN 29 -0.073 -16.017 4.739 228 HE21 GLN 29 1HE2 GLN 29 -1.628 -14.081 4.717 229 HE22 GLN 29 2HE2 GLN 29 -2.597 -13.888 6.134 230 H ASN 30 H ASN 30 -1.816 -16.828 0.311 231 HA ASN 30 HA ASN 30 -3.202 -19.373 -0.187 232 HB2 ASN 30 1HB ASN 30 -4.348 -16.609 -0.646 233 HB3 ASN 30 2HB ASN 30 -5.116 -18.121 -1.124 234 HD21 ASN 30 1HD2 ASN 30 -5.086 -15.781 1.154 235 HD22 ASN 30 2HD2 ASN 30 -5.751 -16.656 2.488 236 HA PRO 31 HA PRO 31 -0.545 -18.336 -3.794 237 HB2 PRO 31 1HB PRO 31 0.116 -20.917 -4.313 238 HB3 PRO 31 2HB PRO 31 0.977 -19.925 -3.132 239 HG2 PRO 31 1HG PRO 31 -1.159 -21.974 -2.686 240 HG3 PRO 31 2HG PRO 31 0.340 -21.705 -1.778 241 HD2 PRO 31 1HD PRO 31 -2.067 -20.820 -0.911 242 HD3 PRO 31 2HD PRO 31 -0.554 -19.954 -0.576 243 H ASP 32 H ASP 32 -3.446 -19.976 -3.279 244 HA ASP 32 HA ASP 32 -3.819 -20.488 -6.152 245 HB2 ASP 32 1HB ASP 32 -4.917 -21.732 -3.683 246 HB3 ASP 32 2HB ASP 32 -5.983 -21.646 -5.083 247 H LEU 33 H LEU 33 -4.667 -18.392 -3.622 248 HA LEU 33 HA LEU 33 -7.184 -17.557 -4.806 249 HB2 LEU 33 1HB LEU 33 -5.636 -16.671 -2.387 250 HB3 LEU 33 2HB LEU 33 -7.080 -15.829 -2.946 251 HG LEU 33 HG LEU 33 -6.884 -18.637 -1.873 252 HD11 LEU 33 1HD1 LEU 33 -7.118 -16.343 -0.502 253 HD12 LEU 33 2HD1 LEU 33 -7.858 -17.860 0.008 254 HD13 LEU 33 3HD1 LEU 33 -8.818 -16.657 -0.853 255 HD21 LEU 33 3HD2 LEU 33 -9.002 -17.309 -3.494 256 HD22 LEU 33 1HD2 LEU 33 -9.480 -18.398 -2.192 257 HD23 LEU 33 2HD2 LEU 33 -8.457 -18.987 -3.503 258 H HIS 34 H HIS 34 -7.585 -15.362 -5.462 259 HA HIS 34 HA HIS 34 -5.171 -14.012 -6.480 260 HB2 HIS 34 1HB HIS 34 -6.644 -13.158 -8.321 261 HB3 HIS 34 2HB HIS 34 -6.396 -14.902 -8.344 262 HD1 HIS 34 1HD HIS 34 -9.016 -12.306 -7.972 263 HD2 HIS 34 2HD HIS 34 -8.684 -16.435 -7.650 264 HE1 HIS 34 1HE HIS 34 -11.377 -13.170 -7.940 265 HE2 HIS 34 2HE HIS 34 -11.153 -15.663 -7.659 266 H ASN 35 H ASN 35 -5.620 -11.631 -6.981 267 HA ASN 35 HA ASN 35 -5.892 -10.114 -4.809 268 HB2 ASN 35 1HB ASN 35 -7.014 -9.429 -7.534 269 HB3 ASN 35 2HB ASN 35 -6.726 -8.259 -6.250 270 HD21 ASN 35 1HD2 ASN 35 -5.314 -7.168 -7.686 271 HD22 ASN 35 2HD2 ASN 35 -3.705 -7.741 -7.948 272 H ALA 36 H ALA 36 -8.717 -10.387 -6.964 273 HA ALA 36 HA ALA 36 -10.688 -9.351 -5.503 274 HB1 ALA 36 3HB ALA 36 -11.681 -11.884 -6.399 275 HB2 ALA 36 1HB ALA 36 -11.960 -10.276 -7.067 276 HB3 ALA 36 2HB ALA 36 -10.568 -11.221 -7.596 277 H GLU 37 H GLU 37 -9.220 -12.499 -4.877 278 HA GLU 37 HA GLU 37 -11.007 -13.110 -2.707 279 HB2 GLU 37 1HB GLU 37 -8.444 -14.402 -3.649 280 HB3 GLU 37 2HB GLU 37 -9.410 -15.012 -2.312 281 HG2 GLU 37 1HG GLU 37 -10.769 -14.564 -4.908 282 HG3 GLU 37 2HG GLU 37 -9.668 -15.934 -4.773 283 H LEU 38 H LEU 38 -7.646 -12.033 -3.021 284 HA LEU 38 HA LEU 38 -6.964 -12.073 -0.311 285 HB2 LEU 38 1HB LEU 38 -5.953 -10.012 -2.242 286 HB3 LEU 38 2HB LEU 38 -5.111 -10.740 -0.876 287 HG LEU 38 HG LEU 38 -5.766 -12.057 -3.509 288 HD11 LEU 38 1HD1 LEU 38 -3.812 -10.362 -3.201 289 HD12 LEU 38 2HD1 LEU 38 -3.534 -11.887 -4.042 290 HD13 LEU 38 3HD1 LEU 38 -3.035 -11.705 -2.360 291 HD21 LEU 38 3HD2 LEU 38 -4.513 -13.174 -1.007 292 HD22 LEU 38 1HD2 LEU 38 -4.441 -13.956 -2.586 293 HD23 LEU 38 2HD2 LEU 38 -5.998 -13.710 -1.795 294 H SER 39 H SER 39 -8.233 -9.401 -2.289 295 HA SER 39 HA SER 39 -8.263 -7.338 -0.534 296 HB2 SER 39 1HB SER 39 -9.348 -7.672 -2.953 297 HB3 SER 39 2HB SER 39 -10.822 -7.787 -1.993 298 HG SER 39 HG SER 39 -9.735 -5.603 -2.764 299 H LYS 40 H LYS 40 -10.905 -9.721 -0.800 300 HA LYS 40 HA LYS 40 -12.637 -8.985 1.091 301 HB2 LYS 40 1HB LYS 40 -11.515 -11.753 0.659 302 HB3 LYS 40 2HB LYS 40 -12.904 -11.432 1.689 303 HG2 LYS 40 1HG LYS 40 -12.992 -10.376 -1.076 304 HG3 LYS 40 2HG LYS 40 -13.142 -12.121 -0.862 305 HD2 LYS 40 1HD LYS 40 -14.936 -11.611 0.859 306 HD3 LYS 40 2HD LYS 40 -14.895 -9.950 0.265 307 HE2 LYS 40 1HE LYS 40 -15.190 -11.101 -2.068 308 HE3 LYS 40 2HE LYS 40 -15.813 -12.439 -1.103 309 HZ1 LYS 40 3HZ LYS 40 -17.550 -11.128 -0.288 310 HZ2 LYS 40 1HZ LYS 40 -17.479 -10.745 -1.935 311 HZ3 LYS 40 2HZ LYS 40 -16.833 -9.681 -0.789 312 H MET 41 H MET 41 -9.412 -10.209 1.719 313 HA MET 41 HA MET 41 -9.845 -10.182 4.597 314 HB2 MET 41 1HB MET 41 -7.262 -10.726 3.136 315 HB3 MET 41 2HB MET 41 -7.673 -11.163 4.789 316 HG2 MET 41 1HG MET 41 -9.206 -12.818 4.063 317 HG3 MET 41 2HG MET 41 -9.119 -12.256 2.395 318 HE1 MET 41 3HE MET 41 -8.189 -13.188 0.847 319 HE2 MET 41 1HE MET 41 -6.512 -13.721 0.720 320 HE3 MET 41 2HE MET 41 -7.782 -14.886 1.095 321 H LEU 42 H LEU 42 -8.085 -8.393 2.123 322 HA LEU 42 HA LEU 42 -6.601 -6.732 3.845 323 HB2 LEU 42 1HB LEU 42 -7.596 -6.240 1.043 324 HB3 LEU 42 2HB LEU 42 -6.418 -5.231 1.880 325 HG LEU 42 HG LEU 42 -6.010 -8.138 1.183 326 HD11 LEU 42 1HD1 LEU 42 -6.160 -6.611 -0.785 327 HD12 LEU 42 2HD1 LEU 42 -4.596 -7.402 -0.593 328 HD13 LEU 42 3HD1 LEU 42 -4.793 -5.713 -0.124 329 HD21 LEU 42 3HD2 LEU 42 -4.121 -8.067 2.363 330 HD22 LEU 42 1HD2 LEU 42 -4.751 -6.591 3.095 331 HD23 LEU 42 2HD2 LEU 42 -3.675 -6.494 1.701 332 H GLY 43 H GLY 43 -9.911 -6.652 2.791 333 HA2 GLY 43 1HA GLY 43 -10.365 -3.905 3.523 334 HA3 GLY 43 2HA GLY 43 -11.591 -5.089 3.095 335 H LYS 44 H LYS 44 -11.435 -7.012 4.910 336 HA LYS 44 HA LYS 44 -12.740 -6.034 7.138 337 HB2 LYS 44 1HB LYS 44 -12.455 -8.210 8.125 338 HB3 LYS 44 2HB LYS 44 -12.707 -8.413 6.396 339 HG2 LYS 44 1HG LYS 44 -10.380 -8.836 6.040 340 HG3 LYS 44 2HG LYS 44 -10.002 -8.426 7.714 341 HD2 LYS 44 1HD LYS 44 -10.012 -10.807 7.535 342 HD3 LYS 44 2HD LYS 44 -11.463 -10.332 8.422 343 HE2 LYS 44 1HE LYS 44 -11.585 -10.679 5.458 344 HE3 LYS 44 2HE LYS 44 -11.606 -12.099 6.501 345 HZ1 LYS 44 3HZ LYS 44 -13.760 -10.568 5.813 346 HZ2 LYS 44 1HZ LYS 44 -13.418 -10.085 7.398 347 HZ3 LYS 44 2HZ LYS 44 -13.708 -11.715 7.055 348 H SER 45 H SER 45 -9.296 -6.578 6.647 349 HA SER 45 HA SER 45 -8.595 -5.996 9.370 350 HB2 SER 45 1HB SER 45 -7.039 -6.443 6.838 351 HB3 SER 45 2HB SER 45 -6.236 -5.829 8.283 352 HG SER 45 HG SER 45 -6.487 -7.713 9.244 353 H TRP 46 H TRP 46 -8.965 -4.189 6.420 354 HA TRP 46 HA TRP 46 -7.534 -1.872 7.283 355 HB2 TRP 46 1HB TRP 46 -7.884 -2.368 4.900 356 HB3 TRP 46 2HB TRP 46 -9.621 -2.169 5.111 357 HD1 TRP 46 HD TRP 46 -10.482 0.130 4.418 358 HE1 TRP 46 1HE TRP 46 -9.485 2.493 4.203 359 HE3 TRP 46 3HE TRP 46 -5.766 -0.817 6.150 360 HZ2 TRP 46 2HZ TRP 46 -7.026 3.785 4.701 361 HZ3 TRP 46 3HZ TRP 46 -4.152 1.037 6.249 362 HH2 TRP 46 HH TRP 46 -4.770 3.289 5.538 363 H LYS 47 H LYS 47 -11.011 -2.169 6.556 364 HA LYS 47 HA LYS 47 -11.944 0.083 7.740 365 HB2 LYS 47 1HB LYS 47 -13.094 -2.629 7.348 366 HB3 LYS 47 2HB LYS 47 -13.960 -1.542 8.425 367 HG2 LYS 47 1HG LYS 47 -14.572 -0.138 6.747 368 HG3 LYS 47 2HG LYS 47 -13.133 -0.481 5.784 369 HD2 LYS 47 1HD LYS 47 -15.454 -1.361 4.998 370 HD3 LYS 47 2HD LYS 47 -14.037 -2.407 4.880 371 HE2 LYS 47 1HE LYS 47 -14.709 -3.739 6.636 372 HE3 LYS 47 2HE LYS 47 -15.695 -2.469 7.360 373 HZ1 LYS 47 3HZ LYS 47 -17.096 -2.757 5.223 374 HZ2 LYS 47 1HZ LYS 47 -17.268 -3.875 6.482 375 HZ3 LYS 47 2HZ LYS 47 -16.340 -4.267 5.123 376 H ALA 48 H ALA 48 -10.906 -2.846 9.357 377 HA ALA 48 HA ALA 48 -11.936 -2.279 11.919 378 HB1 ALA 48 3HB ALA 48 -9.856 -3.789 12.562 379 HB2 ALA 48 1HB ALA 48 -11.293 -4.459 11.790 380 HB3 ALA 48 2HB ALA 48 -9.861 -4.098 10.826 381 H LEU 49 H LEU 49 -8.797 -1.571 10.425 382 HA LEU 49 HA LEU 49 -7.425 -0.538 12.567 383 HB2 LEU 49 1HB LEU 49 -7.444 0.354 9.693 384 HB3 LEU 49 2HB LEU 49 -6.293 0.954 10.885 385 HG LEU 49 HG LEU 49 -6.555 -1.966 10.207 386 HD11 LEU 49 1HD1 LEU 49 -4.685 0.063 8.992 387 HD12 LEU 49 2HD1 LEU 49 -6.011 -0.753 8.164 388 HD13 LEU 49 3HD1 LEU 49 -4.626 -1.681 8.738 389 HD21 LEU 49 3HD2 LEU 49 -4.103 -1.794 11.019 390 HD22 LEU 49 1HD2 LEU 49 -5.404 -1.788 12.210 391 HD23 LEU 49 2HD2 LEU 49 -4.625 -0.274 11.747 392 H THR 50 H THR 50 -6.979 1.695 13.185 393 HA THR 50 HA THR 50 -9.436 3.310 13.129 394 HB THR 50 HB THR 50 -8.653 4.385 15.161 395 HG1 THR 50 1HG THR 50 -6.359 4.143 14.608 396 HG21 THR 50 3HG2 THR 50 -8.786 2.515 16.689 397 HG22 THR 50 1HG2 THR 50 -8.339 1.392 15.406 398 HG23 THR 50 2HG2 THR 50 -9.884 2.239 15.337 399 H LEU 51 H LEU 51 -8.871 5.753 13.529 400 HA LEU 51 HA LEU 51 -7.785 6.788 11.208 401 HB2 LEU 51 1HB LEU 51 -9.234 8.076 12.651 402 HB3 LEU 51 2HB LEU 51 -8.018 8.070 13.926 403 HG LEU 51 HG LEU 51 -8.348 10.202 12.507 404 HD11 LEU 51 1HD1 LEU 51 -6.267 9.210 13.975 405 HD12 LEU 51 2HD1 LEU 51 -6.370 10.845 13.324 406 HD13 LEU 51 3HD1 LEU 51 -5.492 9.598 12.439 407 HD21 LEU 51 3HD2 LEU 51 -6.956 10.274 10.487 408 HD22 LEU 51 1HD2 LEU 51 -8.298 9.140 10.323 409 HD23 LEU 51 2HD2 LEU 51 -6.668 8.539 10.632 410 H ALA 52 H ALA 52 -6.245 6.843 14.429 411 HA ALA 52 HA ALA 52 -3.791 7.854 13.736 412 HB1 ALA 52 3HB ALA 52 -4.126 5.628 15.732 413 HB2 ALA 52 1HB ALA 52 -2.932 6.926 15.737 414 HB3 ALA 52 2HB ALA 52 -4.630 7.288 16.046 415 H GLU 53 H GLU 53 -5.017 4.611 13.238 416 HA GLU 53 HA GLU 53 -2.489 3.469 12.531 417 HB2 GLU 53 1HB GLU 53 -5.343 2.557 12.276 418 HB3 GLU 53 2HB GLU 53 -4.027 1.638 11.558 419 HG2 GLU 53 1HG GLU 53 -3.964 2.402 14.448 420 HG3 GLU 53 2HG GLU 53 -4.870 0.993 13.899 421 H LYS 54 H LYS 54 -5.148 4.961 10.792 422 HA LYS 54 HA LYS 54 -4.003 4.320 8.205 423 HB2 LYS 54 1HB LYS 54 -6.370 6.074 8.886 424 HB3 LYS 54 2HB LYS 54 -5.933 5.498 7.283 425 HG2 LYS 54 1HG LYS 54 -6.346 3.201 7.986 426 HG3 LYS 54 2HG LYS 54 -6.767 3.768 9.604 427 HD2 LYS 54 1HD LYS 54 -8.719 4.830 8.839 428 HD3 LYS 54 2HD LYS 54 -8.198 4.759 7.154 429 HE2 LYS 54 1HE LYS 54 -9.736 3.053 7.212 430 HE3 LYS 54 2HE LYS 54 -8.247 2.175 7.561 431 HZ1 LYS 54 3HZ LYS 54 -9.128 1.508 9.462 432 HZ2 LYS 54 1HZ LYS 54 -10.557 2.349 9.126 433 HZ3 LYS 54 2HZ LYS 54 -9.308 3.109 9.977 434 H ARG 55 H ARG 55 -3.498 6.643 10.548 435 HA ARG 55 HA ARG 55 -3.210 9.027 9.156 436 HB2 ARG 55 1HB ARG 55 -2.848 8.319 11.718 437 HB3 ARG 55 2HB ARG 55 -1.165 8.396 11.213 438 HG2 ARG 55 1HG ARG 55 -1.521 10.528 11.984 439 HG3 ARG 55 2HG ARG 55 -1.838 10.720 10.259 440 HD2 ARG 55 1HD ARG 55 -4.293 10.204 10.906 441 HD3 ARG 55 2HD ARG 55 -3.774 10.615 12.540 442 HE ARG 55 HE ARG 55 -4.247 12.425 10.382 443 HH11 ARG 55 1HH1 ARG 55 -2.358 11.912 13.261 444 HH12 ARG 55 2HH1 ARG 55 -2.099 13.601 13.549 445 HH21 ARG 55 1HH2 ARG 55 -3.915 14.651 10.751 446 HH22 ARG 55 2HH2 ARG 55 -2.986 15.158 12.121 447 HA PRO 56 HA PRO 56 1.363 7.693 8.236 448 HB2 PRO 56 1HB PRO 56 1.902 5.039 8.432 449 HB3 PRO 56 2HB PRO 56 2.094 6.161 9.784 450 HG2 PRO 56 1HG PRO 56 -0.159 4.284 9.186 451 HG3 PRO 56 2HG PRO 56 0.630 4.626 10.736 452 HD2 PRO 56 1HD PRO 56 -1.745 5.722 10.039 453 HD3 PRO 56 2HD PRO 56 -0.566 6.569 11.061 454 H PHE 57 H PHE 57 -1.300 5.548 7.433 455 HA PHE 57 HA PHE 57 -0.181 5.025 4.786 456 HB2 PHE 57 1HB PHE 57 -2.777 3.996 5.939 457 HB3 PHE 57 2HB PHE 57 -1.915 3.379 4.534 458 HD1 PHE 57 1HD PHE 57 0.578 2.629 5.051 459 HD2 PHE 57 2HD PHE 57 -2.562 2.857 7.915 460 HE1 PHE 57 1HE PHE 57 1.775 1.028 6.486 461 HE2 PHE 57 2HE PHE 57 -1.369 1.258 9.355 462 HZ PHE 57 HZ PHE 57 0.803 0.342 8.641 463 H VAL 58 H VAL 58 -2.113 7.300 6.264 464 HA VAL 58 HA VAL 58 -3.783 7.788 3.914 465 HB VAL 58 HB VAL 58 -3.802 8.868 6.716 466 HG11 VAL 58 1HG1 VAL 58 -4.081 10.839 5.415 467 HG12 VAL 58 2HG1 VAL 58 -5.186 10.026 4.305 468 HG13 VAL 58 3HG1 VAL 58 -5.684 10.353 5.966 469 HG21 VAL 58 3HG2 VAL 58 -5.099 6.771 5.528 470 HG22 VAL 58 1HG2 VAL 58 -5.635 7.608 6.985 471 HG23 VAL 58 2HG2 VAL 58 -6.294 8.064 5.415 472 H GLU 59 H GLU 59 -1.139 9.203 5.743 473 HA GLU 59 HA GLU 59 -1.120 11.644 4.214 474 HB2 GLU 59 1HB GLU 59 1.022 10.564 6.051 475 HB3 GLU 59 2HB GLU 59 0.844 12.223 5.498 476 HG2 GLU 59 1HG GLU 59 -1.418 10.998 6.974 477 HG3 GLU 59 2HG GLU 59 0.026 11.446 7.881 478 H GLU 60 H GLU 60 -0.084 8.515 3.646 479 HA GLU 60 HA GLU 60 2.175 9.303 1.970 480 HB2 GLU 60 1HB GLU 60 2.698 7.388 3.222 481 HB3 GLU 60 2HB GLU 60 1.120 6.665 2.944 482 HG2 GLU 60 1HG GLU 60 1.682 5.883 0.876 483 HG3 GLU 60 2HG GLU 60 2.880 7.146 0.601 484 H ALA 61 H ALA 61 -0.869 7.480 1.667 485 HA ALA 61 HA ALA 61 -0.793 7.131 -1.108 486 HB1 ALA 61 3HB ALA 61 -2.671 6.007 -0.730 487 HB2 ALA 61 1HB ALA 61 -2.545 6.486 0.963 488 HB3 ALA 61 2HB ALA 61 -3.495 7.459 -0.160 489 H GLU 62 H GLU 62 -1.815 9.846 0.850 490 HA GLU 62 HA GLU 62 -3.251 11.259 -1.117 491 HB2 GLU 62 1HB GLU 62 -3.510 11.931 1.148 492 HB3 GLU 62 2HB GLU 62 -1.778 12.151 1.356 493 HG2 GLU 62 1HG GLU 62 -1.763 14.175 0.299 494 HG3 GLU 62 2HG GLU 62 -3.180 13.799 -0.680 495 H ARG 63 H ARG 63 0.162 10.974 -0.436 496 HA ARG 63 HA ARG 63 0.943 13.174 -2.107 497 HB2 ARG 63 1HB ARG 63 2.599 10.892 -1.015 498 HB3 ARG 63 2HB ARG 63 3.228 12.365 -1.740 499 HG2 ARG 63 1HG ARG 63 2.498 13.688 0.066 500 HG3 ARG 63 2HG ARG 63 1.478 12.394 0.699 501 HD2 ARG 63 1HD ARG 63 3.340 12.368 2.100 502 HD3 ARG 63 2HD ARG 63 3.659 11.069 0.953 503 HE ARG 63 HE ARG 63 4.790 13.532 0.086 504 HH11 ARG 63 1HH1 ARG 63 5.256 10.874 2.285 505 HH12 ARG 63 2HH1 ARG 63 6.978 11.051 2.340 506 HH21 ARG 63 1HH2 ARG 63 7.057 13.776 0.150 507 HH22 ARG 63 2HH2 ARG 63 8.002 12.703 1.127 508 H LEU 64 H LEU 64 0.681 9.680 -2.459 509 HA LEU 64 HA LEU 64 1.960 9.500 -4.978 510 HB2 LEU 64 1HB LEU 64 -0.173 7.664 -3.912 511 HB3 LEU 64 2HB LEU 64 1.070 7.287 -5.103 512 HG LEU 64 HG LEU 64 1.554 7.852 -2.178 513 HD11 LEU 64 1HD1 LEU 64 2.386 5.297 -2.715 514 HD12 LEU 64 2HD1 LEU 64 0.901 5.426 -3.656 515 HD13 LEU 64 3HD1 LEU 64 0.875 5.742 -1.921 516 HD21 LEU 64 3HD2 LEU 64 3.323 7.541 -4.522 517 HD22 LEU 64 1HD2 LEU 64 3.796 6.675 -3.060 518 HD23 LEU 64 2HD2 LEU 64 3.574 8.424 -3.016 519 H ARG 65 H ARG 65 -1.403 9.957 -4.003 520 HA ARG 65 HA ARG 65 -2.543 9.721 -6.573 521 HB2 ARG 65 1HB ARG 65 -3.969 9.551 -4.661 522 HB3 ARG 65 2HB ARG 65 -3.473 11.133 -4.074 523 HG2 ARG 65 1HG ARG 65 -4.468 11.899 -6.405 524 HG3 ARG 65 2HG ARG 65 -5.402 10.415 -6.205 525 HD2 ARG 65 1HD ARG 65 -5.740 11.411 -3.769 526 HD3 ARG 65 2HD ARG 65 -5.448 12.926 -4.621 527 HE ARG 65 HE ARG 65 -7.346 11.478 -6.064 528 HH11 ARG 65 1HH1 ARG 65 -7.027 13.063 -2.981 529 HH12 ARG 65 2HH1 ARG 65 -8.714 13.439 -2.853 530 HH21 ARG 65 1HH2 ARG 65 -9.569 11.967 -5.907 531 HH22 ARG 65 2HH2 ARG 65 -10.159 12.814 -4.517 532 H VAL 66 H VAL 66 -1.841 12.654 -4.663 533 HA VAL 66 HA VAL 66 -2.482 14.582 -6.495 534 HB VAL 66 HB VAL 66 -0.662 15.981 -5.458 535 HG11 VAL 66 1HG1 VAL 66 -1.688 15.655 -3.066 536 HG12 VAL 66 2HG1 VAL 66 -2.675 16.271 -4.393 537 HG13 VAL 66 3HG1 VAL 66 -2.791 14.576 -3.918 538 HG21 VAL 66 3HG2 VAL 66 -0.170 13.446 -3.899 539 HG22 VAL 66 1HG2 VAL 66 0.956 14.245 -4.996 540 HG23 VAL 66 2HG2 VAL 66 0.487 15.030 -3.489 541 H GLN 67 H GLN 67 0.331 12.505 -6.464 542 HA GLN 67 HA GLN 67 1.905 13.923 -8.324 543 HB2 GLN 67 1HB GLN 67 1.844 11.126 -7.292 544 HB3 GLN 67 2HB GLN 67 2.784 11.454 -8.741 545 HG2 GLN 67 1HG GLN 67 4.131 13.058 -7.578 546 HG3 GLN 67 2HG GLN 67 3.113 12.934 -6.144 547 HE21 GLN 67 1HE2 GLN 67 3.216 11.058 -4.876 548 HE22 GLN 67 2HE2 GLN 67 4.569 9.987 -4.956 549 H HIS 68 H HIS 68 -0.018 10.961 -8.851 550 HA HIS 68 HA HIS 68 0.166 10.690 -11.539 551 HB2 HIS 68 1HB HIS 68 -1.103 9.117 -10.221 552 HB3 HIS 68 2HB HIS 68 -2.304 10.345 -9.830 553 HD1 HIS 68 1HD HIS 68 -1.141 8.161 -12.660 554 HD2 HIS 68 2HD HIS 68 -4.274 10.731 -11.738 555 HE1 HIS 68 1HE HIS 68 -2.843 7.827 -14.481 556 HE2 HIS 68 2HE HIS 68 -4.691 9.454 -13.949 557 H MET 69 H MET 69 -1.429 13.242 -9.842 558 HA MET 69 HA MET 69 -2.967 14.143 -12.109 559 HB2 MET 69 1HB MET 69 -2.367 15.525 -9.487 560 HB3 MET 69 2HB MET 69 -3.551 16.051 -10.676 561 HG2 MET 69 1HG MET 69 -4.518 13.643 -10.313 562 HG3 MET 69 2HG MET 69 -3.648 13.760 -8.786 563 HE1 MET 69 3HE MET 69 -6.301 13.838 -7.191 564 HE2 MET 69 1HE MET 69 -4.590 14.200 -6.959 565 HE3 MET 69 2HE MET 69 -5.810 15.399 -6.531 566 H GLN 70 H GLN 70 0.007 15.107 -10.454 567 HA GLN 70 HA GLN 70 0.586 17.485 -11.678 568 HB2 GLN 70 1HB GLN 70 2.749 17.211 -10.950 569 HB3 GLN 70 2HB GLN 70 1.931 16.012 -9.956 570 HG2 GLN 70 1HG GLN 70 2.543 14.306 -11.693 571 HG3 GLN 70 2HG GLN 70 3.553 15.543 -12.440 572 HE21 GLN 70 1HE2 GLN 70 5.104 16.619 -10.887 573 HE22 GLN 70 2HE2 GLN 70 5.928 15.583 -9.778 574 H ASP 71 H ASP 71 0.971 14.239 -12.990 575 HA ASP 71 HA ASP 71 2.423 14.888 -15.295 576 HB2 ASP 71 1HB ASP 71 0.483 12.658 -14.694 577 HB3 ASP 71 2HB ASP 71 1.338 12.774 -16.230 578 H HIS 72 H HIS 72 -1.021 15.009 -14.608 579 HA HIS 72 HA HIS 72 -1.405 16.575 -17.046 580 HB2 HIS 72 1HB HIS 72 -3.601 15.285 -17.392 581 HB3 HIS 72 2HB HIS 72 -2.106 14.488 -17.872 582 HD1 HIS 72 1HD HIS 72 -4.962 14.218 -15.530 583 HD2 HIS 72 2HD HIS 72 -1.319 12.333 -16.190 584 HE1 HIS 72 1HE HIS 72 -5.059 12.084 -14.204 585 HE2 HIS 72 2HE HIS 72 -2.812 11.001 -14.551 586 HA PRO 73 HA PRO 73 -3.523 19.009 -13.979 587 HB2 PRO 73 1HB PRO 73 -4.247 21.012 -15.663 588 HB3 PRO 73 2HB PRO 73 -2.608 20.838 -15.025 589 HG2 PRO 73 1HG PRO 73 -3.700 20.024 -17.691 590 HG3 PRO 73 2HG PRO 73 -2.160 20.816 -17.307 591 HD2 PRO 73 1HD PRO 73 -2.348 18.162 -17.813 592 HD3 PRO 73 2HD PRO 73 -1.154 18.838 -16.686 593 H ASN 74 H ASN 74 -4.818 17.118 -16.329 594 HA ASN 74 HA ASN 74 -7.469 18.194 -16.478 595 HB2 ASN 74 1HB ASN 74 -6.278 15.533 -17.262 596 HB3 ASN 74 2HB ASN 74 -7.987 15.906 -17.467 597 HD21 ASN 74 1HD2 ASN 74 -4.763 16.533 -18.555 598 HD22 ASN 74 2HD2 ASN 74 -5.192 17.413 -19.979 599 H TYR 75 H TYR 75 -6.931 18.170 -13.853 600 HA TYR 75 HA TYR 75 -8.603 15.966 -12.841 601 HB2 TYR 75 1HB TYR 75 -7.302 15.965 -10.767 602 HB3 TYR 75 2HB TYR 75 -6.269 15.623 -12.151 603 HD1 TYR 75 1HD TYR 75 -7.205 18.194 -9.672 604 HD2 TYR 75 2HD TYR 75 -4.470 17.075 -12.733 605 HE1 TYR 75 1HE TYR 75 -5.709 20.025 -8.996 606 HE2 TYR 75 2HE TYR 75 -2.966 18.902 -12.065 607 HH TYR 75 HH TYR 75 -2.796 20.789 -10.830 608 H LYS 76 H LYS 76 -7.353 19.207 -12.047 609 HA LYS 76 HA LYS 76 -9.901 20.340 -11.674 610 HB2 LYS 76 1HB LYS 76 -9.909 18.891 -9.672 611 HB3 LYS 76 2HB LYS 76 -8.437 19.673 -9.113 612 HG2 LYS 76 1HG LYS 76 -9.961 20.850 -7.914 613 HG3 LYS 76 2HG LYS 76 -9.919 21.846 -9.371 614 HD2 LYS 76 1HD LYS 76 -12.191 21.578 -9.036 615 HD3 LYS 76 2HD LYS 76 -11.834 20.277 -10.175 616 HE2 LYS 76 1HE LYS 76 -11.708 19.762 -7.233 617 HE3 LYS 76 2HE LYS 76 -13.270 19.799 -8.051 618 HZ1 LYS 76 3HZ LYS 76 -11.694 18.225 -9.638 619 HZ2 LYS 76 1HZ LYS 76 -12.885 17.688 -8.563 620 HZ3 LYS 76 2HZ LYS 76 -11.270 17.766 -8.066 621 H SER 77 H SER 77 -9.553 22.378 -12.230 622 HA SER 77 HA SER 77 -7.366 23.867 -11.020 623 HB2 SER 77 1HB SER 77 -6.360 22.965 -13.068 624 HB3 SER 77 2HB SER 77 -7.683 23.635 -14.023 625 HG SER 77 HG SER 77 -5.556 24.941 -12.754 626 H GLY 78 H GLY 78 -8.004 25.859 -10.489 627 HA2 GLY 78 1HA GLY 78 -9.245 27.819 -11.740 628 HA3 GLY 78 2HA GLY 78 -10.617 26.763 -11.443 629 HA PRO 79 HA PRO 79 -8.930 28.417 -7.186 630 HB2 PRO 79 1HB PRO 79 -7.557 30.752 -7.369 631 HB3 PRO 79 2HB PRO 79 -6.771 29.169 -7.411 632 HG2 PRO 79 1HG PRO 79 -7.500 30.982 -9.679 633 HG3 PRO 79 2HG PRO 79 -6.012 30.052 -9.424 634 HD2 PRO 79 1HD PRO 79 -7.981 29.225 -11.090 635 HD3 PRO 79 2HD PRO 79 -6.959 28.092 -10.182 636 H SER 80 H SER 80 -9.262 30.738 -6.060 637 HA SER 80 HA SER 80 -11.785 31.750 -7.170 638 HB2 SER 80 1HB SER 80 -10.665 31.676 -4.372 639 HB3 SER 80 2HB SER 80 -12.036 32.702 -4.794 640 HG SER 80 HG SER 80 -13.042 30.730 -5.596 641 H SER 81 H SER 81 -12.192 33.965 -7.330 642 HA SER 81 HA SER 81 -10.156 35.892 -6.664 643 HB2 SER 81 1HB SER 81 -9.691 36.656 -8.903 644 HB3 SER 81 2HB SER 81 -9.369 34.923 -8.843 645 HG SER 81 HG SER 81 -11.818 36.038 -9.738 646 H GLY 82 H GLY 82 -10.877 38.061 -6.850 647 HA2 GLY 82 1HA GLY 82 -13.805 38.264 -6.915 648 HA3 GLY 82 2HA GLY 82 -12.711 39.413 -6.159 Start of MODEL 2 1 H1 GLY 1 H GLY 1 8.516 -15.472 -12.085 2 HA2 GLY 1 1HA GLY 1 7.784 -13.945 -14.507 3 HA3 GLY 1 2HA GLY 1 6.629 -14.835 -13.525 4 H SER 2 H SER 2 9.224 -12.541 -12.696 5 HA SER 2 HA SER 2 7.293 -10.569 -11.827 6 HB2 SER 2 1HB SER 2 8.145 -10.475 -9.510 7 HB3 SER 2 2HB SER 2 7.396 -12.032 -9.864 8 HG SER 2 HG SER 2 10.135 -11.791 -10.316 9 H SER 3 H SER 3 8.165 -8.513 -11.591 10 HA SER 3 HA SER 3 10.976 -8.258 -12.437 11 HB2 SER 3 1HB SER 3 8.649 -6.386 -12.937 12 HB3 SER 3 2HB SER 3 10.320 -6.064 -13.401 13 HG SER 3 HG SER 3 8.935 -6.996 -15.071 14 H GLY 4 H GLY 4 12.087 -6.282 -11.679 15 HA2 GLY 4 1HA GLY 4 11.596 -5.930 -8.839 16 HA3 GLY 4 2HA GLY 4 12.983 -5.339 -9.741 17 H SER 5 H SER 5 13.107 -3.209 -9.869 18 HA SER 5 HA SER 5 10.701 -1.614 -9.426 19 HB2 SER 5 1HB SER 5 13.627 -0.841 -9.493 20 HB3 SER 5 2HB SER 5 12.302 0.281 -9.179 21 HG SER 5 HG SER 5 11.750 -1.151 -7.389 22 H SER 6 H SER 6 9.570 -1.240 -11.225 23 HA SER 6 HA SER 6 11.040 -0.458 -13.656 24 HB2 SER 6 1HB SER 6 8.867 -1.120 -14.832 25 HB3 SER 6 2HB SER 6 9.830 -2.435 -14.159 26 HG SER 6 HG SER 6 7.893 -1.294 -12.514 27 H GLY 7 H GLY 7 8.875 0.569 -11.235 28 HA2 GLY 7 1HA GLY 7 8.691 3.072 -11.201 29 HA3 GLY 7 2HA GLY 7 8.128 2.923 -12.859 30 H ILE 8 H ILE 8 6.543 4.276 -11.193 31 HA ILE 8 HA ILE 8 4.434 2.381 -10.399 32 HB ILE 8 HB ILE 8 4.867 5.228 -9.489 33 HG12 ILE 8 1HG1 ILE 8 5.054 3.849 -7.239 34 HG13 ILE 8 2HG1 ILE 8 5.518 2.550 -8.332 35 HG21 ILE 8 1HG2 ILE 8 2.470 4.359 -9.687 36 HG22 ILE 8 2HG2 ILE 8 2.884 3.287 -8.351 37 HG23 ILE 8 3HG2 ILE 8 2.968 5.035 -8.136 38 HD11 ILE 8 3HD1 ILE 8 6.998 4.921 -7.485 39 HD12 ILE 8 1HD1 ILE 8 7.580 3.355 -8.049 40 HD13 ILE 8 2HD1 ILE 8 7.085 4.584 -9.214 41 H ARG 9 H ARG 9 3.231 2.136 -12.218 42 HA ARG 9 HA ARG 9 2.664 4.132 -14.105 43 HB2 ARG 9 1HB ARG 9 1.003 1.694 -13.441 44 HB3 ARG 9 2HB ARG 9 0.934 2.625 -14.932 45 HG2 ARG 9 1HG ARG 9 3.449 1.268 -14.018 46 HG3 ARG 9 2HG ARG 9 2.223 0.439 -14.980 47 HD2 ARG 9 1HD ARG 9 2.427 2.328 -16.641 48 HD3 ARG 9 2HD ARG 9 3.837 2.866 -15.731 49 HE ARG 9 HE ARG 9 3.655 0.560 -17.468 50 HH11 ARG 9 1HH1 ARG 9 5.427 2.174 -14.943 51 HH12 ARG 9 2HH1 ARG 9 6.913 1.347 -15.278 52 HH21 ARG 9 1HH2 ARG 9 5.604 -0.535 -17.919 53 HH22 ARG 9 2HH2 ARG 9 7.012 -0.193 -16.971 54 H ARG 10 H ARG 10 0.397 2.724 -11.733 55 HA ARG 10 HA ARG 10 -1.017 5.308 -11.706 56 HB2 ARG 10 1HB ARG 10 -2.136 2.575 -11.059 57 HB3 ARG 10 2HB ARG 10 -3.037 4.083 -11.121 58 HG2 ARG 10 1HG ARG 10 -1.903 2.469 -13.363 59 HG3 ARG 10 2HG ARG 10 -3.542 3.085 -13.143 60 HD2 ARG 10 1HD ARG 10 -2.370 5.416 -13.279 61 HD3 ARG 10 2HD ARG 10 -1.087 4.506 -14.075 62 HE ARG 10 HE ARG 10 -3.697 5.129 -15.135 63 HH11 ARG 10 1HH1 ARG 10 -0.903 3.063 -15.354 64 HH12 ARG 10 2HH1 ARG 10 -1.195 2.625 -17.005 65 HH21 ARG 10 1HH2 ARG 10 -4.092 4.560 -17.308 66 HH22 ARG 10 2HH2 ARG 10 -3.008 3.477 -18.116 67 HA PRO 11 HA PRO 11 -0.070 5.777 -7.440 68 HB2 PRO 11 1HB PRO 11 -2.209 7.240 -6.632 69 HB3 PRO 11 2HB PRO 11 -0.910 7.907 -7.629 70 HG2 PRO 11 1HG PRO 11 -3.610 6.910 -8.454 71 HG3 PRO 11 2HG PRO 11 -2.740 8.359 -8.992 72 HD2 PRO 11 1HD PRO 11 -2.827 6.084 -10.458 73 HD3 PRO 11 2HD PRO 11 -1.426 7.175 -10.470 74 H MET 12 H MET 12 -1.555 5.854 -5.254 75 HA MET 12 HA MET 12 -3.468 3.664 -5.241 76 HB2 MET 12 1HB MET 12 -1.299 3.476 -3.206 77 HB3 MET 12 2HB MET 12 -2.300 2.206 -3.897 78 HG2 MET 12 1HG MET 12 -1.005 2.654 -6.069 79 HG3 MET 12 2HG MET 12 0.143 3.501 -5.034 80 HE1 MET 12 3HE MET 12 0.679 0.789 -2.346 81 HE2 MET 12 1HE MET 12 1.985 1.629 -3.182 82 HE3 MET 12 2HE MET 12 0.528 2.507 -2.718 83 H ASN 13 H ASN 13 -4.760 3.584 -3.348 84 HA ASN 13 HA ASN 13 -4.917 6.155 -1.984 85 HB2 ASN 13 1HB ASN 13 -7.051 4.864 -1.028 86 HB3 ASN 13 2HB ASN 13 -7.060 5.647 -2.606 87 HD21 ASN 13 1HD2 ASN 13 -6.993 2.636 -0.898 88 HD22 ASN 13 2HD2 ASN 13 -7.311 1.620 -2.259 89 H ALA 14 H ALA 14 -5.943 5.732 0.398 90 HA ALA 14 HA ALA 14 -3.790 4.967 2.007 91 HB1 ALA 14 3HB ALA 14 -5.405 6.487 2.872 92 HB2 ALA 14 1HB ALA 14 -6.708 5.317 2.662 93 HB3 ALA 14 2HB ALA 14 -5.459 5.038 3.876 94 H PHE 15 H PHE 15 -6.676 3.184 1.015 95 HA PHE 15 HA PHE 15 -6.205 0.921 2.659 96 HB2 PHE 15 1HB PHE 15 -8.408 1.068 1.928 97 HB3 PHE 15 2HB PHE 15 -7.940 1.483 0.282 98 HD1 PHE 15 2HD PHE 15 -7.160 -0.268 -1.261 99 HD2 PHE 15 1HD PHE 15 -8.640 -1.194 2.621 100 HE1 PHE 15 2HE PHE 15 -7.446 -2.617 -1.934 101 HE2 PHE 15 1HE PHE 15 -8.927 -3.545 1.954 102 HZ PHE 15 HZ PHE 15 -8.331 -4.259 -0.326 103 H MET 16 H MET 16 -5.532 1.591 -0.765 104 HA MET 16 HA MET 16 -4.427 -0.882 -1.433 105 HB2 MET 16 1HB MET 16 -4.035 1.895 -2.512 106 HB3 MET 16 2HB MET 16 -3.124 0.538 -3.163 107 HG2 MET 16 1HG MET 16 -6.089 0.344 -2.960 108 HG3 MET 16 2HG MET 16 -5.366 1.289 -4.259 109 HE1 MET 16 3HE MET 16 -3.730 -0.882 -6.560 110 HE2 MET 16 1HE MET 16 -3.473 0.536 -5.544 111 HE3 MET 16 2HE MET 16 -2.643 -0.975 -5.174 112 H VAL 17 H VAL 17 -2.746 2.100 -0.433 113 HA VAL 17 HA VAL 17 -0.151 1.179 -0.433 114 HB VAL 17 HB VAL 17 -1.386 3.079 1.566 115 HG11 VAL 17 1HG1 VAL 17 0.661 3.555 2.372 116 HG12 VAL 17 2HG1 VAL 17 1.065 1.946 1.771 117 HG13 VAL 17 3HG1 VAL 17 1.437 3.371 0.799 118 HG21 VAL 17 3HG2 VAL 17 0.222 4.247 -0.538 119 HG22 VAL 17 1HG2 VAL 17 -1.146 3.343 -1.187 120 HG23 VAL 17 2HG2 VAL 17 -1.419 4.640 -0.024 121 H TRP 18 H TRP 18 -2.211 1.343 2.478 122 HA TRP 18 HA TRP 18 -0.561 -0.104 4.166 123 HB2 TRP 18 1HB TRP 18 -2.297 0.929 5.286 124 HB3 TRP 18 2HB TRP 18 -3.499 0.436 4.096 125 HD1 TRP 18 HD TRP 18 -1.933 -0.622 7.362 126 HE1 TRP 18 1HE TRP 18 -3.088 -2.760 8.210 127 HE3 TRP 18 3HE TRP 18 -4.664 -1.777 3.197 128 HZ2 TRP 18 2HZ TRP 18 -4.915 -4.682 7.243 129 HZ3 TRP 18 3HZ TRP 18 -6.089 -3.782 3.240 130 HH2 TRP 18 HH TRP 18 -6.210 -5.203 5.222 131 H ALA 19 H ALA 19 -2.609 -1.213 1.608 132 HA ALA 19 HA ALA 19 -2.665 -3.960 2.483 133 HB1 ALA 19 3HB ALA 19 -4.545 -3.454 1.249 134 HB2 ALA 19 1HB ALA 19 -3.647 -2.486 0.079 135 HB3 ALA 19 2HB ALA 19 -3.530 -4.246 0.043 136 H LYS 20 H LYS 20 -0.795 -2.002 0.244 137 HA LYS 20 HA LYS 20 0.473 -3.772 -1.352 138 HB2 LYS 20 1HB LYS 20 2.148 -2.211 -1.635 139 HB3 LYS 20 2HB LYS 20 0.876 -1.213 -0.942 140 HG2 LYS 20 1HG LYS 20 2.072 -1.908 1.316 141 HG3 LYS 20 2HG LYS 20 3.451 -2.097 0.230 142 HD2 LYS 20 1HD LYS 20 1.790 0.385 0.100 143 HD3 LYS 20 2HD LYS 20 2.992 0.203 1.380 144 HE2 LYS 20 1HE LYS 20 3.597 -0.125 -1.554 145 HE3 LYS 20 2HE LYS 20 3.803 1.389 -0.674 146 HZ1 LYS 20 3HZ LYS 20 5.576 -0.766 -0.843 147 HZ2 LYS 20 1HZ LYS 20 5.070 -0.649 0.767 148 HZ3 LYS 20 2HZ LYS 20 5.773 0.685 0.003 149 H ASP 21 H ASP 21 0.993 -3.359 2.092 150 HA ASP 21 HA ASP 21 3.164 -5.307 2.090 151 HB2 ASP 21 1HB ASP 21 3.203 -3.194 3.497 152 HB3 ASP 21 2HB ASP 21 1.945 -3.932 4.485 153 H GLU 22 H GLU 22 -0.059 -4.898 3.537 154 HA GLU 22 HA GLU 22 -0.214 -7.339 4.862 155 HB2 GLU 22 1HB GLU 22 -2.206 -5.406 3.786 156 HB3 GLU 22 2HB GLU 22 -2.785 -7.000 4.249 157 HG2 GLU 22 1HG GLU 22 -2.746 -4.996 5.950 158 HG3 GLU 22 2HG GLU 22 -2.417 -6.650 6.462 159 H ARG 23 H ARG 23 -1.560 -6.549 1.653 160 HA ARG 23 HA ARG 23 -2.559 -8.912 0.843 161 HB2 ARG 23 1HB ARG 23 -2.399 -6.808 -0.521 162 HB3 ARG 23 2HB ARG 23 -0.744 -7.256 -0.913 163 HG2 ARG 23 1HG ARG 23 -1.627 -9.373 -1.893 164 HG3 ARG 23 2HG ARG 23 -3.255 -8.739 -1.646 165 HD2 ARG 23 1HD ARG 23 -1.292 -7.031 -3.081 166 HD3 ARG 23 2HD ARG 23 -1.954 -8.425 -3.934 167 HE ARG 23 HE ARG 23 -4.005 -7.378 -4.013 168 HH11 ARG 23 1HH1 ARG 23 -1.855 -5.629 -1.907 169 HH12 ARG 23 2HH1 ARG 23 -2.895 -4.250 -1.774 170 HH21 ARG 23 1HH2 ARG 23 -5.384 -5.568 -3.846 171 HH22 ARG 23 2HH2 ARG 23 -4.903 -4.217 -2.877 172 H LYS 24 H LYS 24 0.885 -8.058 0.767 173 HA LYS 24 HA LYS 24 1.979 -10.230 -0.467 174 HB2 LYS 24 1HB LYS 24 3.060 -8.925 2.038 175 HB3 LYS 24 2HB LYS 24 3.988 -9.867 0.879 176 HG2 LYS 24 1HG LYS 24 2.522 -7.369 0.097 177 HG3 LYS 24 2HG LYS 24 4.170 -7.343 0.728 178 HD2 LYS 24 1HD LYS 24 3.341 -9.012 -1.638 179 HD3 LYS 24 2HD LYS 24 3.950 -7.362 -1.790 180 HE2 LYS 24 1HE LYS 24 6.012 -8.054 -0.619 181 HE3 LYS 24 2HE LYS 24 5.403 -9.708 -0.569 182 HZ1 LYS 24 3HZ LYS 24 5.963 -8.146 -3.033 183 HZ2 LYS 24 1HZ LYS 24 5.377 -9.733 -2.985 184 HZ3 LYS 24 2HZ LYS 24 6.929 -9.387 -2.409 185 H ARG 25 H ARG 25 1.065 -10.012 2.961 186 HA ARG 25 HA ARG 25 1.881 -12.612 3.671 187 HB2 ARG 25 1HB ARG 25 0.961 -12.181 5.729 188 HB3 ARG 25 2HB ARG 25 1.128 -10.539 5.122 189 HG2 ARG 25 1HG ARG 25 -1.319 -11.010 4.231 190 HG3 ARG 25 2HG ARG 25 -1.312 -12.162 5.568 191 HD2 ARG 25 1HD ARG 25 -0.436 -9.321 5.957 192 HD3 ARG 25 2HD ARG 25 -2.142 -9.765 6.011 193 HE ARG 25 HE ARG 25 -0.178 -10.244 8.027 194 HH11 ARG 25 1HH1 ARG 25 -3.108 -11.478 6.608 195 HH12 ARG 25 2HH1 ARG 25 -3.606 -12.313 8.042 196 HH21 ARG 25 1HH2 ARG 25 -0.822 -11.339 9.921 197 HH22 ARG 25 2HH2 ARG 25 -2.305 -12.233 9.926 198 H LEU 26 H LEU 26 -1.032 -11.374 2.197 199 HA LEU 26 HA LEU 26 -2.651 -13.667 2.628 200 HB2 LEU 26 1HB LEU 26 -2.880 -11.644 0.409 201 HB3 LEU 26 2HB LEU 26 -4.149 -12.709 1.009 202 HG LEU 26 HG LEU 26 -2.938 -10.328 2.404 203 HD11 LEU 26 1HD1 LEU 26 -5.496 -9.815 2.454 204 HD12 LEU 26 2HD1 LEU 26 -5.548 -10.939 1.096 205 HD13 LEU 26 3HD1 LEU 26 -4.551 -9.487 1.001 206 HD21 LEU 26 3HD2 LEU 26 -4.933 -12.326 3.467 207 HD22 LEU 26 1HD2 LEU 26 -4.432 -10.835 4.265 208 HD23 LEU 26 2HD2 LEU 26 -3.266 -12.134 4.015 209 H ALA 27 H ALA 27 -0.621 -12.599 -0.075 210 HA ALA 27 HA ALA 27 -1.232 -14.602 -1.902 211 HB1 ALA 27 3HB ALA 27 1.367 -14.161 -2.463 212 HB2 ALA 27 1HB ALA 27 0.060 -13.078 -2.941 213 HB3 ALA 27 2HB ALA 27 1.006 -12.734 -1.493 214 H GLN 28 H GLN 28 1.358 -14.548 0.542 215 HA GLN 28 HA GLN 28 2.320 -17.143 -0.031 216 HB2 GLN 28 1HB GLN 28 3.482 -16.963 2.142 217 HB3 GLN 28 2HB GLN 28 3.703 -15.534 1.141 218 HG2 GLN 28 1HG GLN 28 2.427 -14.207 2.505 219 HG3 GLN 28 2HG GLN 28 1.503 -15.566 3.144 220 HE21 GLN 28 1HE2 GLN 28 1.984 -14.426 5.183 221 HE22 GLN 28 2HE2 GLN 28 3.461 -14.800 5.996 222 H GLN 29 H GLN 29 -0.161 -15.926 2.132 223 HA GLN 29 HA GLN 29 -0.533 -18.380 3.541 224 HB2 GLN 29 1HB GLN 29 -1.924 -15.758 3.393 225 HB3 GLN 29 2HB GLN 29 -2.858 -17.130 3.974 226 HG2 GLN 29 1HG GLN 29 -1.215 -17.532 5.719 227 HG3 GLN 29 2HG GLN 29 -0.239 -16.190 5.123 228 HE21 GLN 29 1HE2 GLN 29 -3.617 -16.802 6.036 229 HE22 GLN 29 2HE2 GLN 29 -3.805 -15.358 6.966 230 H ASN 30 H ASN 30 -1.870 -16.957 0.640 231 HA ASN 30 HA ASN 30 -3.324 -19.464 0.153 232 HB2 ASN 30 1HB ASN 30 -4.375 -16.678 -0.390 233 HB3 ASN 30 2HB ASN 30 -5.166 -18.173 -0.880 234 HD21 ASN 30 1HD2 ASN 30 -5.156 -15.808 1.372 235 HD22 ASN 30 2HD2 ASN 30 -5.897 -16.647 2.688 236 HA PRO 31 HA PRO 31 -0.514 -18.554 -3.378 237 HB2 PRO 31 1HB PRO 31 0.134 -21.156 -3.804 238 HB3 PRO 31 2HB PRO 31 0.965 -20.141 -2.620 239 HG2 PRO 31 1HG PRO 31 -1.209 -22.154 -2.195 240 HG3 PRO 31 2HG PRO 31 0.261 -21.877 -1.243 241 HD2 PRO 31 1HD PRO 31 -2.165 -20.942 -0.484 242 HD3 PRO 31 2HD PRO 31 -0.654 -20.083 -0.120 243 H ASP 32 H ASP 32 -3.467 -20.087 -2.928 244 HA ASP 32 HA ASP 32 -3.741 -20.701 -5.793 245 HB2 ASP 32 1HB ASP 32 -4.209 -22.506 -4.049 246 HB3 ASP 32 2HB ASP 32 -5.635 -21.569 -3.613 247 H LEU 33 H LEU 33 -4.698 -18.559 -3.317 248 HA LEU 33 HA LEU 33 -7.133 -17.703 -4.634 249 HB2 LEU 33 1HB LEU 33 -5.662 -16.749 -2.191 250 HB3 LEU 33 2HB LEU 33 -7.097 -15.940 -2.819 251 HG LEU 33 HG LEU 33 -6.913 -18.719 -1.668 252 HD11 LEU 33 1HD1 LEU 33 -7.016 -16.735 -0.129 253 HD12 LEU 33 2HD1 LEU 33 -8.328 -17.900 0.048 254 HD13 LEU 33 3HD1 LEU 33 -8.605 -16.384 -0.810 255 HD21 LEU 33 3HD2 LEU 33 -8.978 -17.438 -3.380 256 HD22 LEU 33 1HD2 LEU 33 -9.514 -18.449 -2.038 257 HD23 LEU 33 2HD2 LEU 33 -8.469 -19.124 -3.288 258 H HIS 34 H HIS 34 -7.476 -15.517 -5.356 259 HA HIS 34 HA HIS 34 -5.005 -14.229 -6.316 260 HB2 HIS 34 1HB HIS 34 -6.399 -13.403 -8.234 261 HB3 HIS 34 2HB HIS 34 -6.161 -15.148 -8.206 262 HD1 HIS 34 1HD HIS 34 -8.757 -12.588 -8.314 263 HD2 HIS 34 2HD HIS 34 -8.504 -16.597 -7.252 264 HE1 HIS 34 1HE HIS 34 -11.128 -13.425 -8.277 265 HE2 HIS 34 2HE HIS 34 -10.956 -15.830 -7.548 266 H ASN 35 H ASN 35 -5.428 -11.854 -6.920 267 HA ASN 35 HA ASN 35 -5.737 -10.261 -4.815 268 HB2 ASN 35 1HB ASN 35 -6.826 -9.674 -7.576 269 HB3 ASN 35 2HB ASN 35 -6.552 -8.459 -6.331 270 HD21 ASN 35 1HD2 ASN 35 -4.386 -8.086 -5.626 271 HD22 ASN 35 2HD2 ASN 35 -3.060 -8.409 -6.685 272 H ALA 36 H ALA 36 -8.536 -10.561 -6.997 273 HA ALA 36 HA ALA 36 -10.517 -9.491 -5.577 274 HB1 ALA 36 3HB ALA 36 -11.048 -12.213 -6.690 275 HB2 ALA 36 1HB ALA 36 -12.039 -10.756 -6.767 276 HB3 ALA 36 2HB ALA 36 -10.591 -10.891 -7.765 277 H GLU 37 H GLU 37 -9.122 -12.671 -4.907 278 HA GLU 37 HA GLU 37 -10.927 -13.231 -2.748 279 HB2 GLU 37 1HB GLU 37 -8.357 -14.536 -3.646 280 HB3 GLU 37 2HB GLU 37 -9.313 -15.117 -2.290 281 HG2 GLU 37 1HG GLU 37 -10.687 -14.739 -4.889 282 HG3 GLU 37 2HG GLU 37 -9.580 -16.101 -4.726 283 H LEU 38 H LEU 38 -7.573 -12.131 -3.020 284 HA LEU 38 HA LEU 38 -6.939 -12.138 -0.294 285 HB2 LEU 38 1HB LEU 38 -5.895 -10.116 -2.252 286 HB3 LEU 38 2HB LEU 38 -5.082 -10.797 -0.844 287 HG LEU 38 HG LEU 38 -5.650 -12.177 -3.464 288 HD11 LEU 38 1HD1 LEU 38 -3.317 -10.853 -2.250 289 HD12 LEU 38 2HD1 LEU 38 -3.734 -11.097 -3.946 290 HD13 LEU 38 3HD1 LEU 38 -3.005 -12.409 -3.019 291 HD21 LEU 38 3HD2 LEU 38 -4.578 -13.249 -0.864 292 HD22 LEU 38 1HD2 LEU 38 -4.327 -14.049 -2.416 293 HD23 LEU 38 2HD2 LEU 38 -5.962 -13.827 -1.793 294 H SER 39 H SER 39 -8.228 -9.532 -2.340 295 HA SER 39 HA SER 39 -8.277 -7.427 -0.623 296 HB2 SER 39 1HB SER 39 -9.316 -7.805 -3.054 297 HB3 SER 39 2HB SER 39 -10.807 -7.918 -2.120 298 HG SER 39 HG SER 39 -8.956 -5.778 -1.911 299 H LYS 40 H LYS 40 -10.875 -9.857 -0.878 300 HA LYS 40 HA LYS 40 -12.651 -9.084 0.971 301 HB2 LYS 40 1HB LYS 40 -11.519 -11.850 0.564 302 HB3 LYS 40 2HB LYS 40 -12.900 -11.535 1.606 303 HG2 LYS 40 1HG LYS 40 -13.016 -10.493 -1.165 304 HG3 LYS 40 2HG LYS 40 -13.165 -12.237 -0.935 305 HD2 LYS 40 1HD LYS 40 -14.931 -11.681 0.822 306 HD3 LYS 40 2HD LYS 40 -14.916 -10.048 0.153 307 HE2 LYS 40 1HE LYS 40 -15.855 -10.707 -1.832 308 HE3 LYS 40 2HE LYS 40 -15.216 -12.346 -1.715 309 HZ1 LYS 40 3HZ LYS 40 -17.719 -11.288 -0.783 310 HZ2 LYS 40 1HZ LYS 40 -16.905 -12.188 0.396 311 HZ3 LYS 40 2HZ LYS 40 -17.273 -12.889 -1.099 312 H MET 41 H MET 41 -9.412 -10.208 1.647 313 HA MET 41 HA MET 41 -9.894 -10.159 4.525 314 HB2 MET 41 1HB MET 41 -7.298 -10.760 3.109 315 HB3 MET 41 2HB MET 41 -7.731 -11.151 4.768 316 HG2 MET 41 1HG MET 41 -9.295 -12.797 4.052 317 HG3 MET 41 2HG MET 41 -9.133 -12.297 2.370 318 HE1 MET 41 3HE MET 41 -6.518 -14.068 0.875 319 HE2 MET 41 1HE MET 41 -7.972 -14.987 1.269 320 HE3 MET 41 2HE MET 41 -8.093 -13.273 0.873 321 H LEU 42 H LEU 42 -8.180 -8.396 2.019 322 HA LEU 42 HA LEU 42 -6.676 -6.718 3.731 323 HB2 LEU 42 1HB LEU 42 -7.622 -6.288 0.902 324 HB3 LEU 42 2HB LEU 42 -6.448 -5.271 1.734 325 HG LEU 42 HG LEU 42 -6.067 -8.192 1.078 326 HD11 LEU 42 1HD1 LEU 42 -4.530 -7.450 -0.620 327 HD12 LEU 42 2HD1 LEU 42 -4.809 -5.763 -0.189 328 HD13 LEU 42 3HD1 LEU 42 -6.108 -6.717 -0.906 329 HD21 LEU 42 3HD2 LEU 42 -3.623 -6.952 1.578 330 HD22 LEU 42 1HD2 LEU 42 -4.463 -8.107 2.614 331 HD23 LEU 42 2HD2 LEU 42 -4.697 -6.376 2.854 332 H GLY 43 H GLY 43 -9.970 -6.663 2.637 333 HA2 GLY 43 1HA GLY 43 -10.429 -3.894 3.275 334 HA3 GLY 43 2HA GLY 43 -11.651 -5.089 2.871 335 H LYS 44 H LYS 44 -11.516 -6.954 4.748 336 HA LYS 44 HA LYS 44 -12.832 -5.885 6.936 337 HB2 LYS 44 1HB LYS 44 -12.622 -8.041 7.971 338 HB3 LYS 44 2HB LYS 44 -12.840 -8.286 6.243 339 HG2 LYS 44 1HG LYS 44 -10.506 -8.754 5.956 340 HG3 LYS 44 2HG LYS 44 -10.172 -8.332 7.637 341 HD2 LYS 44 1HD LYS 44 -10.235 -10.728 7.436 342 HD3 LYS 44 2HD LYS 44 -11.652 -10.197 8.344 343 HE2 LYS 44 1HE LYS 44 -13.102 -10.667 6.608 344 HE3 LYS 44 2HE LYS 44 -11.840 -10.544 5.383 345 HZ1 LYS 44 3HZ LYS 44 -11.511 -12.670 7.335 346 HZ2 LYS 44 1HZ LYS 44 -11.235 -12.678 5.665 347 HZ3 LYS 44 2HZ LYS 44 -12.807 -12.855 6.263 348 H SER 45 H SER 45 -9.399 -6.522 6.482 349 HA SER 45 HA SER 45 -8.697 -5.902 9.194 350 HB2 SER 45 1HB SER 45 -7.142 -6.413 6.673 351 HB3 SER 45 2HB SER 45 -6.332 -5.790 8.110 352 HG SER 45 HG SER 45 -6.836 -8.274 7.602 353 H TRP 46 H TRP 46 -9.007 -4.136 6.208 354 HA TRP 46 HA TRP 46 -7.519 -1.845 6.966 355 HB2 TRP 46 1HB TRP 46 -8.040 -2.318 4.625 356 HB3 TRP 46 2HB TRP 46 -9.761 -2.133 4.954 357 HD1 TRP 46 HD TRP 46 -10.650 0.125 4.181 358 HE1 TRP 46 1HE TRP 46 -9.706 2.508 3.940 359 HE3 TRP 46 3HE TRP 46 -5.908 -0.703 5.904 360 HZ2 TRP 46 2HZ TRP 46 -7.273 3.857 4.418 361 HZ3 TRP 46 3HZ TRP 46 -4.334 1.187 5.980 362 HH2 TRP 46 HH TRP 46 -5.004 3.419 5.251 363 H LYS 47 H LYS 47 -11.049 -2.044 6.511 364 HA LYS 47 HA LYS 47 -11.796 0.251 7.770 365 HB2 LYS 47 1HB LYS 47 -13.099 -2.394 7.397 366 HB3 LYS 47 2HB LYS 47 -13.845 -1.290 8.545 367 HG2 LYS 47 1HG LYS 47 -14.363 0.265 6.917 368 HG3 LYS 47 2HG LYS 47 -13.137 -0.343 5.803 369 HD2 LYS 47 1HD LYS 47 -15.532 -1.973 6.613 370 HD3 LYS 47 2HD LYS 47 -15.562 -0.866 5.238 371 HE2 LYS 47 1HE LYS 47 -13.509 -3.045 5.547 372 HE3 LYS 47 2HE LYS 47 -15.044 -3.286 4.715 373 HZ1 LYS 47 3HZ LYS 47 -12.878 -2.540 3.444 374 HZ2 LYS 47 1HZ LYS 47 -13.412 -1.002 3.906 375 HZ3 LYS 47 2HZ LYS 47 -14.411 -1.999 2.974 376 H ALA 48 H ALA 48 -10.834 -2.768 9.272 377 HA ALA 48 HA ALA 48 -11.680 -2.227 11.895 378 HB1 ALA 48 3HB ALA 48 -11.084 -4.447 11.414 379 HB2 ALA 48 1HB ALA 48 -9.504 -3.976 10.786 380 HB3 ALA 48 2HB ALA 48 -9.835 -3.866 12.515 381 H LEU 49 H LEU 49 -8.742 -1.369 10.150 382 HA LEU 49 HA LEU 49 -7.166 -0.486 12.259 383 HB2 LEU 49 1HB LEU 49 -7.375 0.441 9.408 384 HB3 LEU 49 2HB LEU 49 -6.176 1.086 10.527 385 HG LEU 49 HG LEU 49 -6.404 -1.799 9.667 386 HD11 LEU 49 1HD1 LEU 49 -5.413 -1.016 7.817 387 HD12 LEU 49 2HD1 LEU 49 -3.978 -0.900 8.834 388 HD13 LEU 49 3HD1 LEU 49 -4.989 0.521 8.572 389 HD21 LEU 49 3HD2 LEU 49 -4.042 -1.770 10.737 390 HD22 LEU 49 1HD2 LEU 49 -5.460 -1.905 11.777 391 HD23 LEU 49 2HD2 LEU 49 -4.639 -0.354 11.603 392 H THR 50 H THR 50 -6.727 1.636 13.059 393 HA THR 50 HA THR 50 -9.138 3.307 13.158 394 HB THR 50 HB THR 50 -8.225 4.286 15.190 395 HG1 THR 50 1HG THR 50 -6.183 4.024 15.745 396 HG21 THR 50 3HG2 THR 50 -7.931 2.055 16.517 397 HG22 THR 50 1HG2 THR 50 -8.371 1.305 14.984 398 HG23 THR 50 2HG2 THR 50 -9.482 2.430 15.765 399 H LEU 51 H LEU 51 -8.765 5.687 13.347 400 HA LEU 51 HA LEU 51 -7.653 6.774 11.105 401 HB2 LEU 51 1HB LEU 51 -9.144 7.985 12.607 402 HB3 LEU 51 2HB LEU 51 -7.868 8.069 13.820 403 HG LEU 51 HG LEU 51 -8.341 10.167 12.446 404 HD11 LEU 51 1HD1 LEU 51 -5.498 9.622 12.048 405 HD12 LEU 51 2HD1 LEU 51 -6.086 9.227 13.662 406 HD13 LEU 51 3HD1 LEU 51 -6.294 10.857 13.022 407 HD21 LEU 51 3HD2 LEU 51 -7.146 10.262 10.282 408 HD22 LEU 51 1HD2 LEU 51 -8.529 9.168 10.261 409 HD23 LEU 51 2HD2 LEU 51 -6.893 8.518 10.377 410 H ALA 52 H ALA 52 -6.106 6.763 14.321 411 HA ALA 52 HA ALA 52 -3.678 7.877 13.623 412 HB1 ALA 52 3HB ALA 52 -4.492 7.308 15.935 413 HB2 ALA 52 1HB ALA 52 -3.974 5.650 15.627 414 HB3 ALA 52 2HB ALA 52 -2.791 6.959 15.624 415 H GLU 53 H GLU 53 -4.832 4.609 13.128 416 HA GLU 53 HA GLU 53 -2.270 3.542 12.402 417 HB2 GLU 53 1HB GLU 53 -5.092 2.525 12.257 418 HB3 GLU 53 2HB GLU 53 -3.784 1.651 11.472 419 HG2 GLU 53 1HG GLU 53 -3.636 2.410 14.365 420 HG3 GLU 53 2HG GLU 53 -4.469 0.950 13.833 421 H LYS 54 H LYS 54 -4.957 5.017 10.731 422 HA LYS 54 HA LYS 54 -3.920 4.321 8.111 423 HB2 LYS 54 1HB LYS 54 -6.240 6.101 8.880 424 HB3 LYS 54 2HB LYS 54 -5.858 5.558 7.252 425 HG2 LYS 54 1HG LYS 54 -6.375 3.301 7.797 426 HG3 LYS 54 2HG LYS 54 -6.501 3.685 9.515 427 HD2 LYS 54 1HD LYS 54 -8.721 3.630 8.892 428 HD3 LYS 54 2HD LYS 54 -8.351 5.347 8.714 429 HE2 LYS 54 1HE LYS 54 -7.804 4.784 6.278 430 HE3 LYS 54 2HE LYS 54 -8.623 3.252 6.578 431 HZ1 LYS 54 3HZ LYS 54 -10.405 4.426 5.910 432 HZ2 LYS 54 1HZ LYS 54 -9.728 5.924 6.311 433 HZ3 LYS 54 2HZ LYS 54 -10.426 4.962 7.515 434 H ARG 55 H ARG 55 -3.312 6.672 10.408 435 HA ARG 55 HA ARG 55 -3.020 9.026 8.962 436 HB2 ARG 55 1HB ARG 55 -2.626 8.378 11.529 437 HB3 ARG 55 2HB ARG 55 -0.950 8.392 10.998 438 HG2 ARG 55 1HG ARG 55 -1.252 10.550 11.738 439 HG3 ARG 55 2HG ARG 55 -1.542 10.709 10.005 440 HD2 ARG 55 1HD ARG 55 -4.024 10.263 10.666 441 HD3 ARG 55 2HD ARG 55 -3.491 10.761 12.270 442 HE ARG 55 HE ARG 55 -2.582 12.748 10.681 443 HH11 ARG 55 1HH1 ARG 55 -5.697 11.243 11.074 444 HH12 ARG 55 2HH1 ARG 55 -6.585 12.672 10.661 445 HH21 ARG 55 1HH2 ARG 55 -3.740 14.636 10.135 446 HH22 ARG 55 2HH2 ARG 55 -5.471 14.601 10.126 447 HA PRO 56 HA PRO 56 1.511 7.595 7.978 448 HB2 PRO 56 1HB PRO 56 2.003 4.934 8.204 449 HB3 PRO 56 2HB PRO 56 2.243 6.072 9.535 450 HG2 PRO 56 1HG PRO 56 -0.058 4.231 9.009 451 HG3 PRO 56 2HG PRO 56 0.769 4.579 10.538 452 HD2 PRO 56 1HD PRO 56 -1.598 5.711 9.870 453 HD3 PRO 56 2HD PRO 56 -0.384 6.550 10.857 454 H PHE 57 H PHE 57 -1.204 5.483 7.260 455 HA PHE 57 HA PHE 57 -0.149 4.900 4.601 456 HB2 PHE 57 1HB PHE 57 -2.745 3.945 5.814 457 HB3 PHE 57 2HB PHE 57 -1.917 3.286 4.407 458 HD1 PHE 57 1HD PHE 57 0.587 2.523 4.920 459 HD2 PHE 57 2HD PHE 57 -2.543 2.808 7.790 460 HE1 PHE 57 1HE PHE 57 1.773 0.924 6.366 461 HE2 PHE 57 2HE PHE 57 -1.362 1.210 9.241 462 HZ PHE 57 HZ PHE 57 0.799 0.267 8.530 463 H VAL 58 H VAL 58 -2.039 7.218 6.091 464 HA VAL 58 HA VAL 58 -3.728 7.711 3.758 465 HB VAL 58 HB VAL 58 -3.679 8.833 6.544 466 HG11 VAL 58 1HG1 VAL 58 -3.941 10.773 5.160 467 HG12 VAL 58 2HG1 VAL 58 -5.144 9.956 4.160 468 HG13 VAL 58 3HG1 VAL 58 -5.516 10.358 5.837 469 HG21 VAL 58 3HG2 VAL 58 -5.624 7.711 6.848 470 HG22 VAL 58 1HG2 VAL 58 -6.156 7.964 5.186 471 HG23 VAL 58 2HG2 VAL 58 -4.976 6.706 5.552 472 H GLU 59 H GLU 59 -1.034 9.109 5.529 473 HA GLU 59 HA GLU 59 -0.998 11.540 3.999 474 HB2 GLU 59 1HB GLU 59 1.156 10.368 5.768 475 HB3 GLU 59 2HB GLU 59 1.075 12.024 5.184 476 HG2 GLU 59 1HG GLU 59 -1.220 10.981 6.749 477 HG3 GLU 59 2HG GLU 59 0.275 11.357 7.604 478 H GLU 60 H GLU 60 0.047 8.370 3.461 479 HA GLU 60 HA GLU 60 2.236 9.096 1.695 480 HB2 GLU 60 1HB GLU 60 2.660 7.116 2.892 481 HB3 GLU 60 2HB GLU 60 1.045 6.487 2.595 482 HG2 GLU 60 1HG GLU 60 1.557 5.771 0.484 483 HG3 GLU 60 2HG GLU 60 2.841 6.960 0.274 484 H ALA 61 H ALA 61 -0.772 7.210 1.323 485 HA ALA 61 HA ALA 61 -0.820 7.000 -1.415 486 HB1 ALA 61 3HB ALA 61 -2.688 5.922 -0.906 487 HB2 ALA 61 1HB ALA 61 -2.667 6.619 0.714 488 HB3 ALA 61 2HB ALA 61 -3.490 7.462 -0.599 489 H GLU 62 H GLU 62 -1.894 9.714 0.578 490 HA GLU 62 HA GLU 62 -3.114 11.236 -1.427 491 HB2 GLU 62 1HB GLU 62 -3.462 11.871 0.838 492 HB3 GLU 62 2HB GLU 62 -1.736 12.018 1.137 493 HG2 GLU 62 1HG GLU 62 -1.585 14.054 0.093 494 HG3 GLU 62 2HG GLU 62 -3.001 13.763 -0.916 495 H ARG 63 H ARG 63 0.240 11.272 -0.251 496 HA ARG 63 HA ARG 63 1.192 13.322 -1.891 497 HB2 ARG 63 1HB ARG 63 2.670 10.904 -0.836 498 HB3 ARG 63 2HB ARG 63 3.428 12.346 -1.499 499 HG2 ARG 63 1HG ARG 63 2.791 13.663 0.316 500 HG3 ARG 63 2HG ARG 63 1.561 12.508 0.837 501 HD2 ARG 63 1HD ARG 63 3.461 12.406 2.327 502 HD3 ARG 63 2HD ARG 63 3.345 10.907 1.406 503 HE ARG 63 HE ARG 63 5.335 11.415 0.366 504 HH11 ARG 63 1HH1 ARG 63 4.193 14.175 2.155 505 HH12 ARG 63 2HH1 ARG 63 5.672 15.061 1.985 506 HH21 ARG 63 1HH2 ARG 63 7.287 12.572 0.135 507 HH22 ARG 63 2HH2 ARG 63 7.431 14.149 0.835 508 H LEU 64 H LEU 64 0.436 10.020 -2.600 509 HA LEU 64 HA LEU 64 1.937 9.939 -5.062 510 HB2 LEU 64 1HB LEU 64 -0.228 8.055 -4.157 511 HB3 LEU 64 2HB LEU 64 1.023 7.753 -5.361 512 HG LEU 64 HG LEU 64 1.424 8.032 -2.384 513 HD11 LEU 64 1HD1 LEU 64 2.407 5.601 -3.252 514 HD12 LEU 64 2HD1 LEU 64 0.900 5.791 -4.147 515 HD13 LEU 64 3HD1 LEU 64 0.894 5.871 -2.385 516 HD21 LEU 64 3HD2 LEU 64 3.437 8.809 -3.074 517 HD22 LEU 64 1HD2 LEU 64 3.299 8.073 -4.671 518 HD23 LEU 64 2HD2 LEU 64 3.758 7.086 -3.283 519 H ARG 65 H ARG 65 -1.549 9.657 -4.339 520 HA ARG 65 HA ARG 65 -2.501 9.938 -6.914 521 HB2 ARG 65 1HB ARG 65 -4.196 9.371 -5.492 522 HB3 ARG 65 2HB ARG 65 -3.614 10.421 -4.207 523 HG2 ARG 65 1HG ARG 65 -4.705 11.704 -6.648 524 HG3 ARG 65 2HG ARG 65 -5.839 10.924 -5.542 525 HD2 ARG 65 1HD ARG 65 -4.425 12.279 -3.750 526 HD3 ARG 65 2HD ARG 65 -4.125 13.317 -5.144 527 HE ARG 65 HE ARG 65 -6.336 13.972 -5.107 528 HH11 ARG 65 1HH1 ARG 65 -5.842 11.307 -2.922 529 HH12 ARG 65 2HH1 ARG 65 -7.396 11.464 -2.172 530 HH21 ARG 65 1HH2 ARG 65 -8.385 14.189 -4.128 531 HH22 ARG 65 2HH2 ARG 65 -8.842 13.103 -2.860 532 H VAL 66 H VAL 66 -1.807 12.484 -4.541 533 HA VAL 66 HA VAL 66 -2.710 14.685 -5.968 534 HB VAL 66 HB VAL 66 -1.185 16.040 -4.645 535 HG11 VAL 66 1HG1 VAL 66 -2.855 13.935 -3.471 536 HG12 VAL 66 2HG1 VAL 66 -1.693 14.659 -2.358 537 HG13 VAL 66 3HG1 VAL 66 -2.863 15.677 -3.198 538 HG21 VAL 66 3HG2 VAL 66 0.360 14.807 -3.035 539 HG22 VAL 66 1HG2 VAL 66 0.147 13.407 -4.086 540 HG23 VAL 66 2HG2 VAL 66 0.862 14.887 -4.724 541 H GLN 67 H GLN 67 0.515 13.186 -6.009 542 HA GLN 67 HA GLN 67 1.546 14.980 -7.975 543 HB2 GLN 67 1HB GLN 67 2.545 12.312 -6.971 544 HB3 GLN 67 2HB GLN 67 3.432 13.333 -8.095 545 HG2 GLN 67 1HG GLN 67 3.450 15.124 -6.396 546 HG3 GLN 67 2HG GLN 67 2.657 14.023 -5.271 547 HE21 GLN 67 1HE2 GLN 67 3.888 12.757 -4.055 548 HE22 GLN 67 2HE2 GLN 67 5.582 12.496 -4.270 549 H HIS 68 H HIS 68 -0.464 12.248 -8.111 550 HA HIS 68 HA HIS 68 0.304 11.355 -10.733 551 HB2 HIS 68 1HB HIS 68 -0.654 9.631 -9.521 552 HB3 HIS 68 2HB HIS 68 -1.875 10.675 -8.800 553 HD1 HIS 68 1HD HIS 68 -1.184 8.578 -11.800 554 HD2 HIS 68 2HD HIS 68 -4.187 11.063 -10.361 555 HE1 HIS 68 1HE HIS 68 -3.179 8.141 -13.267 556 HE2 HIS 68 2HE HIS 68 -4.957 9.717 -12.431 557 H MET 69 H MET 69 -1.996 13.611 -9.394 558 HA MET 69 HA MET 69 -3.171 14.045 -12.047 559 HB2 MET 69 1HB MET 69 -4.626 15.653 -10.451 560 HB3 MET 69 2HB MET 69 -5.010 13.958 -10.722 561 HG2 MET 69 1HG MET 69 -4.177 13.306 -8.658 562 HG3 MET 69 2HG MET 69 -3.220 14.774 -8.473 563 HE1 MET 69 3HE MET 69 -3.567 16.221 -7.021 564 HE2 MET 69 1HE MET 69 -5.054 17.005 -6.486 565 HE3 MET 69 2HE MET 69 -4.531 15.498 -5.733 566 H GLN 70 H GLN 70 -1.199 15.528 -9.597 567 HA GLN 70 HA GLN 70 -1.331 18.192 -10.057 568 HB2 GLN 70 1HB GLN 70 0.799 18.384 -9.168 569 HB3 GLN 70 2HB GLN 70 0.309 16.798 -8.589 570 HG2 GLN 70 1HG GLN 70 1.624 15.699 -10.231 571 HG3 GLN 70 2HG GLN 70 1.938 17.212 -11.079 572 HE21 GLN 70 1HE2 GLN 70 3.870 18.020 -10.748 573 HE22 GLN 70 2HE2 GLN 70 4.836 17.818 -9.330 574 H ASP 71 H ASP 71 0.084 15.783 -12.179 575 HA ASP 71 HA ASP 71 1.455 17.452 -13.943 576 HB2 ASP 71 1HB ASP 71 0.093 14.791 -14.340 577 HB3 ASP 71 2HB ASP 71 0.981 15.591 -15.633 578 H HIS 72 H HIS 72 -1.942 16.475 -13.891 579 HA HIS 72 HA HIS 72 -2.486 18.560 -15.900 580 HB2 HIS 72 1HB HIS 72 -4.550 17.026 -16.404 581 HB3 HIS 72 2HB HIS 72 -2.983 16.654 -17.117 582 HD1 HIS 72 1HD HIS 72 -5.576 15.295 -14.893 583 HD2 HIS 72 2HD HIS 72 -1.626 14.447 -15.862 584 HE1 HIS 72 1HE HIS 72 -5.159 12.968 -14.037 585 HE2 HIS 72 2HE HIS 72 -2.738 12.509 -14.558 586 HA PRO 73 HA PRO 73 -4.852 20.108 -12.422 587 HB2 PRO 73 1HB PRO 73 -5.497 22.466 -13.602 588 HB3 PRO 73 2HB PRO 73 -3.917 22.157 -12.872 589 HG2 PRO 73 1HG PRO 73 -4.729 22.042 -15.751 590 HG3 PRO 73 2HG PRO 73 -3.263 22.729 -15.029 591 HD2 PRO 73 1HD PRO 73 -3.301 20.293 -16.211 592 HD3 PRO 73 2HD PRO 73 -2.241 20.672 -14.838 593 H ASN 74 H ASN 74 -6.434 18.370 -12.953 594 HA ASN 74 HA ASN 74 -8.854 19.556 -14.118 595 HB2 ASN 74 1HB ASN 74 -7.500 17.023 -14.900 596 HB3 ASN 74 2HB ASN 74 -9.260 17.013 -14.838 597 HD21 ASN 74 1HD2 ASN 74 -6.602 19.026 -16.050 598 HD22 ASN 74 2HD2 ASN 74 -7.365 19.429 -17.547 599 H TYR 75 H TYR 75 -7.388 17.222 -11.948 600 HA TYR 75 HA TYR 75 -9.471 15.890 -10.848 601 HB2 TYR 75 1HB TYR 75 -8.238 16.000 -8.664 602 HB3 TYR 75 2HB TYR 75 -7.245 15.516 -10.034 603 HD1 TYR 75 2HD TYR 75 -5.703 17.214 -11.076 604 HD2 TYR 75 1HD TYR 75 -7.703 17.913 -7.386 605 HE1 TYR 75 2HE TYR 75 -4.103 19.008 -10.555 606 HE2 TYR 75 1HE TYR 75 -6.109 19.709 -6.855 607 HH TYR 75 HH TYR 75 -3.693 20.287 -7.537 608 H LYS 76 H LYS 76 -10.699 16.236 -8.840 609 HA LYS 76 HA LYS 76 -12.378 18.417 -8.952 610 HB2 LYS 76 1HB LYS 76 -13.226 17.749 -6.817 611 HB3 LYS 76 2HB LYS 76 -12.770 16.288 -7.683 612 HG2 LYS 76 1HG LYS 76 -11.047 15.818 -6.271 613 HG3 LYS 76 2HG LYS 76 -10.759 17.515 -5.877 614 HD2 LYS 76 1HD LYS 76 -13.174 17.272 -4.795 615 HD3 LYS 76 2HD LYS 76 -12.678 15.581 -4.692 616 HE2 LYS 76 1HE LYS 76 -10.633 16.276 -3.514 617 HE3 LYS 76 2HE LYS 76 -11.176 17.952 -3.585 618 HZ1 LYS 76 3HZ LYS 76 -13.275 16.567 -2.490 619 HZ2 LYS 76 1HZ LYS 76 -12.188 17.567 -1.665 620 HZ3 LYS 76 2HZ LYS 76 -11.905 15.902 -1.752 621 H SER 77 H SER 77 -12.702 19.885 -6.876 622 HA SER 77 HA SER 77 -10.229 20.920 -5.794 623 HB2 SER 77 1HB SER 77 -10.367 22.033 -8.004 624 HB3 SER 77 2HB SER 77 -11.948 22.678 -7.562 625 HG SER 77 HG SER 77 -9.639 23.779 -7.096 626 H GLY 78 H GLY 78 -10.663 21.261 -3.725 627 HA2 GLY 78 1HA GLY 78 -13.359 21.545 -2.776 628 HA3 GLY 78 2HA GLY 78 -11.900 21.562 -1.796 629 HA PRO 79 HA PRO 79 -13.746 25.844 -1.923 630 HB2 PRO 79 1HB PRO 79 -13.801 26.180 0.770 631 HB3 PRO 79 2HB PRO 79 -15.126 25.435 -0.132 632 HG2 PRO 79 1HG PRO 79 -12.929 24.132 1.430 633 HG3 PRO 79 2HG PRO 79 -14.656 23.732 1.380 634 HD2 PRO 79 1HD PRO 79 -12.797 22.343 -0.015 635 HD3 PRO 79 2HD PRO 79 -14.458 22.570 -0.601 636 H SER 80 H SER 80 -11.305 24.579 0.347 637 HA SER 80 HA SER 80 -9.887 27.077 0.431 638 HB2 SER 80 1HB SER 80 -9.094 24.335 1.443 639 HB3 SER 80 2HB SER 80 -8.251 25.840 1.808 640 HG SER 80 HG SER 80 -9.628 26.098 3.358 641 H SER 81 H SER 81 -7.620 27.301 -0.180 642 HA SER 81 HA SER 81 -7.178 26.549 -2.868 643 HB2 SER 81 1HB SER 81 -4.925 27.571 -2.537 644 HB3 SER 81 2HB SER 81 -6.243 28.613 -2.004 645 HG SER 81 HG SER 81 -4.922 26.882 -0.210 646 H GLY 82 H GLY 82 -6.273 24.792 -3.722 647 HA2 GLY 82 1HA GLY 82 -5.578 22.556 -2.152 648 HA3 GLY 82 2HA GLY 82 -5.267 22.734 -3.872 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -5.652 -13.363 -14.417 2 HA2 GLY 1 1HA GLY 1 -3.683 -15.551 -14.406 3 HA3 GLY 1 2HA GLY 1 -4.265 -14.917 -15.939 4 H SER 2 H SER 2 -2.980 -13.646 -12.862 5 HA SER 2 HA SER 2 -1.321 -11.799 -14.452 6 HB2 SER 2 1HB SER 2 -2.566 -11.431 -11.722 7 HB3 SER 2 2HB SER 2 -1.343 -10.346 -12.384 8 HG SER 2 HG SER 2 -2.743 -9.654 -13.887 9 H SER 3 H SER 3 0.387 -13.305 -14.596 10 HA SER 3 HA SER 3 1.675 -14.067 -12.075 11 HB2 SER 3 1HB SER 3 1.696 -15.157 -14.846 12 HB3 SER 3 2HB SER 3 3.167 -15.346 -13.891 13 HG SER 3 HG SER 3 0.732 -15.989 -12.686 14 H GLY 4 H GLY 4 2.705 -12.183 -11.470 15 HA2 GLY 4 1HA GLY 4 4.928 -11.242 -11.452 16 HA3 GLY 4 2HA GLY 4 4.961 -11.407 -13.201 17 H SER 5 H SER 5 5.419 -9.057 -11.461 18 HA SER 5 HA SER 5 4.028 -7.144 -13.032 19 HB2 SER 5 1HB SER 5 2.593 -6.144 -11.402 20 HB3 SER 5 2HB SER 5 2.238 -7.871 -11.391 21 HG SER 5 HG SER 5 2.847 -6.436 -9.334 22 H SER 6 H SER 6 5.517 -5.634 -13.306 23 HA SER 6 HA SER 6 7.514 -5.185 -11.216 24 HB2 SER 6 1HB SER 6 8.192 -5.629 -13.611 25 HB3 SER 6 2HB SER 6 7.500 -4.060 -14.022 26 HG SER 6 HG SER 6 9.328 -4.180 -11.914 27 H GLY 7 H GLY 7 7.260 -3.559 -9.844 28 HA2 GLY 7 1HA GLY 7 6.469 -1.614 -8.904 29 HA3 GLY 7 2HA GLY 7 6.877 -0.908 -10.461 30 H ILE 8 H ILE 8 4.931 0.376 -9.407 31 HA ILE 8 HA ILE 8 2.437 -0.777 -10.473 32 HB ILE 8 HB ILE 8 2.448 1.496 -8.527 33 HG12 ILE 8 1HG1 ILE 8 2.070 -0.438 -6.795 34 HG13 ILE 8 2HG1 ILE 8 2.987 -1.396 -7.953 35 HG21 ILE 8 1HG2 ILE 8 0.483 -0.752 -8.665 36 HG22 ILE 8 2HG2 ILE 8 0.246 0.911 -8.131 37 HG23 ILE 8 3HG2 ILE 8 0.425 0.554 -9.849 38 HD11 ILE 8 3HD1 ILE 8 4.103 1.214 -7.089 39 HD12 ILE 8 1HD1 ILE 8 4.157 -0.143 -5.965 40 HD13 ILE 8 2HD1 ILE 8 4.927 -0.277 -7.546 41 H ARG 9 H ARG 9 1.525 0.202 -12.156 42 HA ARG 9 HA ARG 9 2.645 2.730 -13.084 43 HB2 ARG 9 1HB ARG 9 1.514 2.253 -15.186 44 HB3 ARG 9 2HB ARG 9 2.458 0.861 -14.675 45 HG2 ARG 9 1HG ARG 9 0.354 -0.121 -13.749 46 HG3 ARG 9 2HG ARG 9 -0.524 1.211 -14.504 47 HD2 ARG 9 1HD ARG 9 -0.557 -0.788 -15.909 48 HD3 ARG 9 2HD ARG 9 0.309 0.534 -16.692 49 HE ARG 9 HE ARG 9 1.423 -1.968 -15.745 50 HH11 ARG 9 1HH1 ARG 9 2.030 1.275 -16.858 51 HH12 ARG 9 2HH1 ARG 9 3.668 0.949 -17.320 52 HH21 ARG 9 1HH2 ARG 9 3.578 -2.409 -16.350 53 HH22 ARG 9 2HH2 ARG 9 4.547 -1.146 -17.031 54 H ARG 10 H ARG 10 0.692 2.408 -10.799 55 HA ARG 10 HA ARG 10 -1.020 4.613 -11.565 56 HB2 ARG 10 1HB ARG 10 -3.069 3.420 -10.692 57 HB3 ARG 10 2HB ARG 10 -2.469 2.859 -12.247 58 HG2 ARG 10 1HG ARG 10 -1.550 1.474 -9.781 59 HG3 ARG 10 2HG ARG 10 -3.183 1.170 -10.376 60 HD2 ARG 10 1HD ARG 10 -0.720 0.943 -12.093 61 HD3 ARG 10 2HD ARG 10 -1.412 -0.415 -11.205 62 HE ARG 10 HE ARG 10 -2.381 0.717 -13.642 63 HH11 ARG 10 1HH1 ARG 10 -3.336 -0.925 -10.725 64 HH12 ARG 10 2HH1 ARG 10 -4.763 -1.615 -11.425 65 HH21 ARG 10 1HH2 ARG 10 -4.257 -0.185 -14.575 66 HH22 ARG 10 2HH2 ARG 10 -5.285 -1.194 -13.616 67 HA PRO 11 HA PRO 11 -0.412 5.784 -7.378 68 HB2 PRO 11 1HB PRO 11 -2.677 7.201 -6.895 69 HB3 PRO 11 2HB PRO 11 -1.372 7.797 -7.928 70 HG2 PRO 11 1HG PRO 11 -3.958 6.502 -8.700 71 HG3 PRO 11 2HG PRO 11 -3.154 7.909 -9.418 72 HD2 PRO 11 1HD PRO 11 -3.023 5.438 -10.518 73 HD3 PRO 11 2HD PRO 11 -1.695 6.609 -10.640 74 H MET 12 H MET 12 -1.141 5.464 -5.211 75 HA MET 12 HA MET 12 -3.285 3.464 -4.933 76 HB2 MET 12 1HB MET 12 -1.009 3.456 -3.012 77 HB3 MET 12 2HB MET 12 -2.015 2.123 -3.565 78 HG2 MET 12 1HG MET 12 -0.833 2.482 -5.832 79 HG3 MET 12 2HG MET 12 0.357 3.369 -4.883 80 HE1 MET 12 3HE MET 12 0.894 0.666 -2.096 81 HE2 MET 12 1HE MET 12 2.146 1.622 -2.888 82 HE3 MET 12 2HE MET 12 0.617 2.375 -2.435 83 H ASN 13 H ASN 13 -4.550 3.571 -3.063 84 HA ASN 13 HA ASN 13 -4.532 6.194 -1.774 85 HB2 ASN 13 1HB ASN 13 -6.786 5.101 -0.837 86 HB3 ASN 13 2HB ASN 13 -6.703 5.873 -2.418 87 HD21 ASN 13 1HD2 ASN 13 -7.542 3.113 -0.755 88 HD22 ASN 13 2HD2 ASN 13 -7.689 2.030 -2.093 89 H ALA 14 H ALA 14 -5.672 5.851 0.593 90 HA ALA 14 HA ALA 14 -3.624 5.003 2.275 91 HB1 ALA 14 3HB ALA 14 -5.393 5.069 4.073 92 HB2 ALA 14 1HB ALA 14 -5.208 6.542 3.121 93 HB3 ALA 14 2HB ALA 14 -6.553 5.446 2.799 94 H PHE 15 H PHE 15 -6.463 3.276 1.098 95 HA PHE 15 HA PHE 15 -6.079 0.985 2.756 96 HB2 PHE 15 1HB PHE 15 -8.280 1.222 2.016 97 HB3 PHE 15 2HB PHE 15 -7.788 1.604 0.369 98 HD1 PHE 15 2HD PHE 15 -7.169 -0.158 -1.187 99 HD2 PHE 15 1HD PHE 15 -8.470 -1.052 2.766 100 HE1 PHE 15 2HE PHE 15 -7.524 -2.504 -1.838 101 HE2 PHE 15 1HE PHE 15 -8.826 -3.400 2.122 102 HZ PHE 15 HZ PHE 15 -8.354 -4.128 -0.183 103 H MET 16 H MET 16 -5.419 1.676 -0.669 104 HA MET 16 HA MET 16 -4.347 -0.805 -1.358 105 HB2 MET 16 1HB MET 16 -3.690 1.942 -2.436 106 HB3 MET 16 2HB MET 16 -3.188 0.434 -3.189 107 HG2 MET 16 1HG MET 16 -5.681 -0.146 -3.240 108 HG3 MET 16 2HG MET 16 -5.945 1.565 -2.915 109 HE1 MET 16 3HE MET 16 -2.872 0.298 -5.208 110 HE2 MET 16 1HE MET 16 -4.099 -0.966 -5.121 111 HE3 MET 16 2HE MET 16 -3.821 -0.111 -6.638 112 H VAL 17 H VAL 17 -2.685 2.129 -0.220 113 HA VAL 17 HA VAL 17 -0.075 1.186 -0.291 114 HB VAL 17 HB VAL 17 -1.288 3.096 1.712 115 HG11 VAL 17 1HG1 VAL 17 0.817 3.696 2.401 116 HG12 VAL 17 2HG1 VAL 17 1.047 1.969 2.119 117 HG13 VAL 17 3HG1 VAL 17 1.583 3.140 0.913 118 HG21 VAL 17 3HG2 VAL 17 -0.919 4.815 0.231 119 HG22 VAL 17 1HG2 VAL 17 0.333 3.935 -0.645 120 HG23 VAL 17 2HG2 VAL 17 -1.364 3.517 -0.877 121 H TRP 18 H TRP 18 -2.037 1.439 2.679 122 HA TRP 18 HA TRP 18 -0.449 -0.024 4.360 123 HB2 TRP 18 1HB TRP 18 -2.240 0.972 5.434 124 HB3 TRP 18 2HB TRP 18 -3.402 0.425 4.229 125 HD1 TRP 18 HD TRP 18 -1.762 -0.610 7.489 126 HE1 TRP 18 1HE TRP 18 -2.892 -2.754 8.357 127 HE3 TRP 18 3HE TRP 18 -4.603 -1.746 3.393 128 HZ2 TRP 18 2HZ TRP 18 -4.743 -4.673 7.428 129 HZ3 TRP 18 3HZ TRP 18 -6.025 -3.753 3.463 130 HH2 TRP 18 HH TRP 18 -6.092 -5.185 5.440 131 H ALA 19 H ALA 19 -2.707 -1.219 1.949 132 HA ALA 19 HA ALA 19 -2.615 -3.945 2.762 133 HB1 ALA 19 3HB ALA 19 -4.485 -3.432 1.495 134 HB2 ALA 19 1HB ALA 19 -3.555 -2.521 0.305 135 HB3 ALA 19 2HB ALA 19 -3.461 -4.282 0.338 136 H LYS 20 H LYS 20 -0.809 -2.013 0.424 137 HA LYS 20 HA LYS 20 0.524 -3.752 -1.107 138 HB2 LYS 20 1HB LYS 20 2.195 -2.182 -1.361 139 HB3 LYS 20 2HB LYS 20 0.911 -1.194 -0.678 140 HG2 LYS 20 1HG LYS 20 2.066 -1.867 1.593 141 HG3 LYS 20 2HG LYS 20 3.464 -2.099 0.539 142 HD2 LYS 20 1HD LYS 20 1.849 0.414 0.365 143 HD3 LYS 20 2HD LYS 20 3.054 0.221 1.641 144 HE2 LYS 20 1HE LYS 20 3.715 -0.261 -1.248 145 HE3 LYS 20 2HE LYS 20 3.785 1.352 -0.540 146 HZ1 LYS 20 3HZ LYS 20 5.555 0.798 0.776 147 HZ2 LYS 20 1HZ LYS 20 5.881 -0.166 -0.575 148 HZ3 LYS 20 2HZ LYS 20 5.183 -0.852 0.804 149 H ASP 21 H ASP 21 1.027 -3.333 2.343 150 HA ASP 21 HA ASP 21 3.217 -5.246 2.372 151 HB2 ASP 21 1HB ASP 21 3.125 -3.163 3.833 152 HB3 ASP 21 2HB ASP 21 1.878 -3.987 4.765 153 H GLU 22 H GLU 22 -0.116 -4.992 3.548 154 HA GLU 22 HA GLU 22 -0.220 -7.481 4.848 155 HB2 GLU 22 1HB GLU 22 -2.477 -5.964 3.528 156 HB3 GLU 22 2HB GLU 22 -2.655 -7.248 4.715 157 HG2 GLU 22 1HG GLU 22 -1.844 -4.425 5.078 158 HG3 GLU 22 2HG GLU 22 -2.891 -5.441 6.066 159 H ARG 23 H ARG 23 -1.486 -6.581 1.635 160 HA ARG 23 HA ARG 23 -2.424 -8.910 0.686 161 HB2 ARG 23 1HB ARG 23 -2.098 -6.681 -0.544 162 HB3 ARG 23 2HB ARG 23 -0.516 -7.301 -0.998 163 HG2 ARG 23 1HG ARG 23 -1.681 -9.280 -1.998 164 HG3 ARG 23 2HG ARG 23 -3.205 -8.436 -1.715 165 HD2 ARG 23 1HD ARG 23 -2.523 -6.623 -3.143 166 HD3 ARG 23 2HD ARG 23 -0.913 -7.320 -3.323 167 HE ARG 23 HE ARG 23 -3.305 -8.090 -4.723 168 HH11 ARG 23 1HH1 ARG 23 -0.145 -9.100 -3.670 169 HH12 ARG 23 2HH1 ARG 23 0.020 -10.313 -4.895 170 HH21 ARG 23 1HH2 ARG 23 -3.101 -9.684 -6.341 171 HH22 ARG 23 2HH2 ARG 23 -1.662 -10.644 -6.415 172 H LYS 24 H LYS 24 1.019 -8.046 0.779 173 HA LYS 24 HA LYS 24 2.174 -10.165 -0.483 174 HB2 LYS 24 1HB LYS 24 3.079 -8.826 2.072 175 HB3 LYS 24 2HB LYS 24 4.086 -9.902 1.111 176 HG2 LYS 24 1HG LYS 24 3.432 -8.205 -0.810 177 HG3 LYS 24 2HG LYS 24 3.216 -7.121 0.566 178 HD2 LYS 24 1HD LYS 24 5.445 -6.804 -0.054 179 HD3 LYS 24 2HD LYS 24 5.541 -7.925 1.306 180 HE2 LYS 24 1HE LYS 24 5.630 -9.797 -0.341 181 HE3 LYS 24 2HE LYS 24 5.722 -8.596 -1.628 182 HZ1 LYS 24 3HZ LYS 24 7.690 -9.020 0.553 183 HZ2 LYS 24 1HZ LYS 24 7.752 -7.733 -0.544 184 HZ3 LYS 24 2HZ LYS 24 7.917 -9.323 -1.096 185 H ARG 25 H ARG 25 1.125 -10.089 2.914 186 HA ARG 25 HA ARG 25 1.890 -12.751 3.495 187 HB2 ARG 25 1HB ARG 25 0.989 -12.399 5.579 188 HB3 ARG 25 2HB ARG 25 1.226 -10.735 5.061 189 HG2 ARG 25 1HG ARG 25 -1.240 -11.050 4.157 190 HG3 ARG 25 2HG ARG 25 -1.280 -12.272 5.429 191 HD2 ARG 25 1HD ARG 25 -0.298 -9.485 5.951 192 HD3 ARG 25 2HD ARG 25 -2.014 -9.887 6.022 193 HE ARG 25 HE ARG 25 -0.802 -11.744 7.617 194 HH11 ARG 25 1HH1 ARG 25 -0.892 -8.266 7.504 195 HH12 ARG 25 2HH1 ARG 25 -0.692 -8.075 9.214 196 HH21 ARG 25 1HH2 ARG 25 -0.537 -11.506 9.870 197 HH22 ARG 25 2HH2 ARG 25 -0.489 -9.919 10.559 198 H LEU 26 H LEU 26 -0.938 -11.343 2.038 199 HA LEU 26 HA LEU 26 -2.673 -13.567 2.386 200 HB2 LEU 26 1HB LEU 26 -2.758 -11.428 0.265 201 HB3 LEU 26 2HB LEU 26 -4.082 -12.493 0.731 202 HG LEU 26 HG LEU 26 -2.889 -10.222 2.306 203 HD11 LEU 26 1HD1 LEU 26 -4.485 -9.354 0.865 204 HD12 LEU 26 2HD1 LEU 26 -5.404 -9.648 2.341 205 HD13 LEU 26 3HD1 LEU 26 -5.520 -10.777 0.991 206 HD21 LEU 26 3HD2 LEU 26 -3.245 -12.118 3.808 207 HD22 LEU 26 1HD2 LEU 26 -4.903 -12.272 3.227 208 HD23 LEU 26 2HD2 LEU 26 -4.410 -10.829 4.114 209 H ALA 27 H ALA 27 -0.546 -12.519 -0.246 210 HA ALA 27 HA ALA 27 -1.236 -14.452 -2.135 211 HB1 ALA 27 3HB ALA 27 1.370 -14.074 -2.696 212 HB2 ALA 27 1HB ALA 27 0.098 -12.934 -3.134 213 HB3 ALA 27 2HB ALA 27 1.062 -12.664 -1.682 214 H GLN 28 H GLN 28 1.363 -14.526 0.301 215 HA GLN 28 HA GLN 28 2.251 -17.131 -0.330 216 HB2 GLN 28 1HB GLN 28 3.379 -17.035 1.888 217 HB3 GLN 28 2HB GLN 28 3.698 -15.632 0.876 218 HG2 GLN 28 1HG GLN 28 2.365 -14.237 2.173 219 HG3 GLN 28 2HG GLN 28 1.514 -15.589 2.919 220 HE21 GLN 28 1HE2 GLN 28 2.075 -14.302 4.864 221 HE22 GLN 28 2HE2 GLN 28 3.596 -14.611 5.622 222 H GLN 29 H GLN 29 -0.157 -15.900 1.922 223 HA GLN 29 HA GLN 29 -0.609 -18.368 3.258 224 HB2 GLN 29 1HB GLN 29 -1.954 -15.720 3.134 225 HB3 GLN 29 2HB GLN 29 -2.915 -17.083 3.691 226 HG2 GLN 29 1HG GLN 29 -0.839 -17.501 5.239 227 HG3 GLN 29 2HG GLN 29 -0.553 -15.787 4.945 228 HE21 GLN 29 1HE2 GLN 29 -2.008 -14.273 5.730 229 HE22 GLN 29 2HE2 GLN 29 -3.188 -14.663 6.929 230 H ASN 30 H ASN 30 -1.898 -16.885 0.365 231 HA ASN 30 HA ASN 30 -3.379 -19.364 -0.175 232 HB2 ASN 30 1HB ASN 30 -4.415 -16.564 -0.676 233 HB3 ASN 30 2HB ASN 30 -5.221 -18.054 -1.161 234 HD21 ASN 30 1HD2 ASN 30 -5.181 -15.693 1.092 235 HD22 ASN 30 2HD2 ASN 30 -5.909 -16.531 2.416 236 HA PRO 31 HA PRO 31 -0.564 -18.399 -3.683 237 HB2 PRO 31 1HB PRO 31 0.046 -20.998 -4.180 238 HB3 PRO 31 2HB PRO 31 0.892 -20.027 -2.969 239 HG2 PRO 31 1HG PRO 31 -1.312 -22.019 -2.599 240 HG3 PRO 31 2HG PRO 31 0.162 -21.790 -1.639 241 HD2 PRO 31 1HD PRO 31 -2.250 -20.840 -0.856 242 HD3 PRO 31 2HD PRO 31 -0.727 -20.014 -0.468 243 H ASP 32 H ASP 32 -3.522 -19.965 -3.270 244 HA ASP 32 HA ASP 32 -3.809 -20.469 -6.153 245 HB2 ASP 32 1HB ASP 32 -5.027 -21.678 -3.724 246 HB3 ASP 32 2HB ASP 32 -6.040 -21.565 -5.161 247 H LEU 33 H LEU 33 -4.712 -18.366 -3.638 248 HA LEU 33 HA LEU 33 -7.157 -17.461 -4.910 249 HB2 LEU 33 1HB LEU 33 -5.657 -16.600 -2.452 250 HB3 LEU 33 2HB LEU 33 -7.064 -15.727 -3.056 251 HG LEU 33 HG LEU 33 -6.969 -18.537 -1.973 252 HD11 LEU 33 1HD1 LEU 33 -7.070 -16.413 -0.489 253 HD12 LEU 33 2HD1 LEU 33 -8.184 -17.744 -0.176 254 HD13 LEU 33 3HD1 LEU 33 -8.741 -16.316 -1.046 255 HD21 LEU 33 3HD2 LEU 33 -9.571 -18.146 -2.352 256 HD22 LEU 33 1HD2 LEU 33 -8.541 -18.886 -3.578 257 HD23 LEU 33 2HD2 LEU 33 -8.964 -17.178 -3.696 258 H HIS 34 H HIS 34 -7.483 -15.286 -5.628 259 HA HIS 34 HA HIS 34 -5.005 -13.999 -6.571 260 HB2 HIS 34 1HB HIS 34 -6.411 -13.113 -8.453 261 HB3 HIS 34 2HB HIS 34 -6.201 -14.862 -8.464 262 HD1 HIS 34 1HD HIS 34 -8.770 -12.213 -8.221 263 HD2 HIS 34 2HD HIS 34 -8.542 -16.337 -7.771 264 HE1 HIS 34 1HE HIS 34 -11.150 -13.023 -8.234 265 HE2 HIS 34 2HE HIS 34 -10.991 -15.511 -7.875 266 H ASN 35 H ASN 35 -5.391 -11.607 -7.112 267 HA ASN 35 HA ASN 35 -5.666 -10.065 -4.958 268 HB2 ASN 35 1HB ASN 35 -5.237 -9.383 -7.419 269 HB3 ASN 35 2HB ASN 35 -6.977 -9.124 -7.496 270 HD21 ASN 35 1HD2 ASN 35 -7.914 -7.546 -6.114 271 HD22 ASN 35 2HD2 ASN 35 -6.967 -6.229 -5.519 272 H ALA 36 H ALA 36 -8.457 -10.277 -7.163 273 HA ALA 36 HA ALA 36 -10.427 -9.186 -5.742 274 HB1 ALA 36 3HB ALA 36 -11.716 -10.099 -7.302 275 HB2 ALA 36 1HB ALA 36 -10.320 -11.034 -7.838 276 HB3 ALA 36 2HB ALA 36 -11.439 -11.717 -6.657 277 H GLU 37 H GLU 37 -9.041 -12.361 -5.071 278 HA GLU 37 HA GLU 37 -10.887 -12.926 -2.938 279 HB2 GLU 37 1HB GLU 37 -8.315 -14.273 -3.778 280 HB3 GLU 37 2HB GLU 37 -9.373 -14.867 -2.506 281 HG2 GLU 37 1HG GLU 37 -10.568 -14.366 -5.171 282 HG3 GLU 37 2HG GLU 37 -9.508 -15.762 -4.988 283 H LEU 38 H LEU 38 -7.511 -11.889 -3.188 284 HA LEU 38 HA LEU 38 -6.870 -11.941 -0.469 285 HB2 LEU 38 1HB LEU 38 -5.819 -9.867 -2.363 286 HB3 LEU 38 2HB LEU 38 -4.999 -10.629 -1.001 287 HG LEU 38 HG LEU 38 -5.637 -11.886 -3.668 288 HD11 LEU 38 1HD1 LEU 38 -3.317 -10.531 -2.532 289 HD12 LEU 38 2HD1 LEU 38 -3.708 -10.901 -4.211 290 HD13 LEU 38 3HD1 LEU 38 -2.953 -12.126 -3.191 291 HD21 LEU 38 3HD2 LEU 38 -5.908 -13.604 -2.063 292 HD22 LEU 38 1HD2 LEU 38 -4.508 -13.062 -1.139 293 HD23 LEU 38 2HD2 LEU 38 -4.285 -13.799 -2.725 294 H SER 39 H SER 39 -8.169 -9.294 -2.453 295 HA SER 39 HA SER 39 -8.195 -7.226 -0.681 296 HB2 SER 39 1HB SER 39 -9.231 -7.537 -3.125 297 HB3 SER 39 2HB SER 39 -10.725 -7.652 -2.195 298 HG SER 39 HG SER 39 -9.264 -5.473 -2.800 299 H LYS 40 H LYS 40 -10.780 -9.660 -0.993 300 HA LYS 40 HA LYS 40 -12.565 -8.910 0.870 301 HB2 LYS 40 1HB LYS 40 -11.464 -11.676 0.383 302 HB3 LYS 40 2HB LYS 40 -12.849 -11.373 1.423 303 HG2 LYS 40 1HG LYS 40 -12.934 -10.245 -1.314 304 HG3 LYS 40 2HG LYS 40 -13.096 -11.995 -1.144 305 HD2 LYS 40 1HD LYS 40 -14.872 -11.484 0.619 306 HD3 LYS 40 2HD LYS 40 -14.842 -9.831 -0.000 307 HE2 LYS 40 1HE LYS 40 -15.781 -10.420 -2.003 308 HE3 LYS 40 2HE LYS 40 -15.134 -12.059 -1.949 309 HZ1 LYS 40 3HZ LYS 40 -16.884 -12.810 -0.756 310 HZ2 LYS 40 1HZ LYS 40 -17.675 -11.518 -1.509 311 HZ3 LYS 40 2HZ LYS 40 -17.109 -11.354 0.076 312 H MET 41 H MET 41 -9.337 -10.080 1.509 313 HA MET 41 HA MET 41 -9.820 -10.127 4.387 314 HB2 MET 41 1HB MET 41 -7.222 -10.689 2.961 315 HB3 MET 41 2HB MET 41 -7.671 -11.149 4.598 316 HG2 MET 41 1HG MET 41 -9.221 -12.764 3.808 317 HG3 MET 41 2HG MET 41 -9.077 -12.178 2.152 318 HE1 MET 41 3HE MET 41 -7.845 -14.820 0.884 319 HE2 MET 41 1HE MET 41 -8.094 -13.096 0.607 320 HE3 MET 41 2HE MET 41 -6.468 -13.775 0.532 321 H LEU 42 H LEU 42 -8.186 -8.244 1.936 322 HA LEU 42 HA LEU 42 -6.651 -6.642 3.717 323 HB2 LEU 42 1HB LEU 42 -7.557 -6.147 0.886 324 HB3 LEU 42 2HB LEU 42 -6.410 -5.134 1.759 325 HG LEU 42 HG LEU 42 -5.974 -8.039 1.072 326 HD11 LEU 42 1HD1 LEU 42 -5.808 -7.051 -0.989 327 HD12 LEU 42 2HD1 LEU 42 -4.159 -6.853 -0.397 328 HD13 LEU 42 3HD1 LEU 42 -5.288 -5.500 -0.328 329 HD21 LEU 42 3HD2 LEU 42 -4.158 -7.976 2.355 330 HD22 LEU 42 1HD2 LEU 42 -4.776 -6.465 3.022 331 HD23 LEU 42 2HD2 LEU 42 -3.645 -6.434 1.669 332 H GLY 43 H GLY 43 -9.937 -6.573 2.627 333 HA2 GLY 43 1HA GLY 43 -10.389 -3.813 3.346 334 HA3 GLY 43 2HA GLY 43 -11.608 -4.979 2.855 335 H LYS 44 H LYS 44 -11.295 -6.967 4.713 336 HA LYS 44 HA LYS 44 -12.772 -6.029 6.882 337 HB2 LYS 44 1HB LYS 44 -12.530 -8.200 7.829 338 HB3 LYS 44 2HB LYS 44 -12.586 -8.415 6.084 339 HG2 LYS 44 1HG LYS 44 -10.225 -8.760 5.981 340 HG3 LYS 44 2HG LYS 44 -10.036 -8.318 7.679 341 HD2 LYS 44 1HD LYS 44 -11.248 -10.275 8.378 342 HD3 LYS 44 2HD LYS 44 -11.645 -10.677 6.706 343 HE2 LYS 44 1HE LYS 44 -9.258 -10.990 6.229 344 HE3 LYS 44 2HE LYS 44 -8.878 -10.611 7.909 345 HZ1 LYS 44 3HZ LYS 44 -9.039 -12.801 8.217 346 HZ2 LYS 44 1HZ LYS 44 -9.853 -13.059 6.757 347 HZ3 LYS 44 2HZ LYS 44 -10.714 -12.582 8.132 348 H SER 45 H SER 45 -9.302 -6.449 6.488 349 HA SER 45 HA SER 45 -8.712 -5.863 9.242 350 HB2 SER 45 1HB SER 45 -7.071 -6.316 6.771 351 HB3 SER 45 2HB SER 45 -6.318 -5.632 8.212 352 HG SER 45 HG SER 45 -7.522 -7.576 9.224 353 H TRP 46 H TRP 46 -9.044 -4.072 6.284 354 HA TRP 46 HA TRP 46 -7.672 -1.726 7.158 355 HB2 TRP 46 1HB TRP 46 -8.001 -2.242 4.772 356 HB3 TRP 46 2HB TRP 46 -9.741 -2.055 4.973 357 HD1 TRP 46 HD TRP 46 -10.622 0.240 4.290 358 HE1 TRP 46 1HE TRP 46 -9.639 2.608 4.065 359 HE3 TRP 46 3HE TRP 46 -5.892 -0.679 5.999 360 HZ2 TRP 46 2HZ TRP 46 -7.183 3.914 4.548 361 HZ3 TRP 46 3HZ TRP 46 -4.286 1.183 6.085 362 HH2 TRP 46 HH TRP 46 -4.920 3.431 5.373 363 H LYS 47 H LYS 47 -11.139 -2.097 6.409 364 HA LYS 47 HA LYS 47 -12.143 0.134 7.553 365 HB2 LYS 47 1HB LYS 47 -13.199 -2.626 7.242 366 HB3 LYS 47 2HB LYS 47 -14.095 -1.544 8.300 367 HG2 LYS 47 1HG LYS 47 -14.771 -0.205 6.593 368 HG3 LYS 47 2HG LYS 47 -13.329 -0.521 5.625 369 HD2 LYS 47 1HD LYS 47 -15.620 -1.502 4.880 370 HD3 LYS 47 2HD LYS 47 -14.170 -2.505 4.783 371 HE2 LYS 47 1HE LYS 47 -14.791 -3.807 6.581 372 HE3 LYS 47 2HE LYS 47 -15.816 -2.550 7.272 373 HZ1 LYS 47 3HZ LYS 47 -16.991 -3.098 4.885 374 HZ2 LYS 47 1HZ LYS 47 -17.494 -3.687 6.389 375 HZ3 LYS 47 2HZ LYS 47 -16.481 -4.623 5.410 376 H ALA 48 H ALA 48 -10.890 -2.651 9.233 377 HA ALA 48 HA ALA 48 -11.950 -2.045 11.796 378 HB1 ALA 48 3HB ALA 48 -11.279 -4.218 11.738 379 HB2 ALA 48 1HB ALA 48 -9.872 -3.874 10.730 380 HB3 ALA 48 2HB ALA 48 -9.835 -3.503 12.455 381 H LEU 49 H LEU 49 -8.743 -1.494 10.346 382 HA LEU 49 HA LEU 49 -7.383 -0.336 12.383 383 HB2 LEU 49 1HB LEU 49 -7.472 0.527 9.499 384 HB3 LEU 49 2HB LEU 49 -6.283 1.115 10.660 385 HG LEU 49 HG LEU 49 -6.609 -1.772 9.846 386 HD11 LEU 49 1HD1 LEU 49 -4.180 -0.999 8.931 387 HD12 LEU 49 2HD1 LEU 49 -5.126 0.464 8.656 388 HD13 LEU 49 3HD1 LEU 49 -5.643 -1.067 7.948 389 HD21 LEU 49 3HD2 LEU 49 -5.681 -1.636 12.034 390 HD22 LEU 49 1HD2 LEU 49 -4.599 -0.327 11.561 391 HD23 LEU 49 2HD2 LEU 49 -4.350 -1.951 10.920 392 H THR 50 H THR 50 -6.994 1.861 13.043 393 HA THR 50 HA THR 50 -9.430 3.504 12.893 394 HB THR 50 HB THR 50 -8.894 4.439 15.005 395 HG1 THR 50 1HG THR 50 -6.884 4.034 16.019 396 HG21 THR 50 3HG2 THR 50 -9.619 1.935 14.846 397 HG22 THR 50 1HG2 THR 50 -9.122 2.605 16.399 398 HG23 THR 50 2HG2 THR 50 -7.997 1.622 15.461 399 H LEU 51 H LEU 51 -8.967 5.914 13.208 400 HA LEU 51 HA LEU 51 -7.713 6.976 11.031 401 HB2 LEU 51 1HB LEU 51 -9.203 8.243 12.480 402 HB3 LEU 51 2HB LEU 51 -7.987 8.237 13.756 403 HG LEU 51 HG LEU 51 -8.358 10.344 12.227 404 HD11 LEU 51 1HD1 LEU 51 -6.732 10.188 14.027 405 HD12 LEU 51 2HD1 LEU 51 -6.025 10.974 12.616 406 HD13 LEU 51 3HD1 LEU 51 -5.633 9.294 12.977 407 HD21 LEU 51 3HD2 LEU 51 -7.864 8.787 10.197 408 HD22 LEU 51 1HD2 LEU 51 -6.179 9.052 10.644 409 HD23 LEU 51 2HD2 LEU 51 -7.207 10.424 10.230 410 H ALA 52 H ALA 52 -6.301 6.959 14.311 411 HA ALA 52 HA ALA 52 -3.802 7.927 13.727 412 HB1 ALA 52 3HB ALA 52 -4.254 5.686 15.681 413 HB2 ALA 52 1HB ALA 52 -3.042 6.966 15.751 414 HB3 ALA 52 2HB ALA 52 -4.747 7.350 15.995 415 H GLU 53 H GLU 53 -5.086 4.741 13.095 416 HA GLU 53 HA GLU 53 -2.541 3.562 12.473 417 HB2 GLU 53 1HB GLU 53 -5.338 2.599 11.850 418 HB3 GLU 53 2HB GLU 53 -3.869 1.648 11.684 419 HG2 GLU 53 1HG GLU 53 -3.564 2.223 14.214 420 HG3 GLU 53 2HG GLU 53 -5.302 2.507 14.146 421 H LYS 54 H LYS 54 -5.150 5.082 10.685 422 HA LYS 54 HA LYS 54 -3.974 4.433 8.117 423 HB2 LYS 54 1HB LYS 54 -6.290 6.271 8.745 424 HB3 LYS 54 2HB LYS 54 -5.858 5.636 7.163 425 HG2 LYS 54 1HG LYS 54 -6.368 3.377 7.919 426 HG3 LYS 54 2HG LYS 54 -6.779 3.999 9.519 427 HD2 LYS 54 1HD LYS 54 -8.748 4.925 8.802 428 HD3 LYS 54 2HD LYS 54 -8.159 5.169 7.156 429 HE2 LYS 54 1HE LYS 54 -9.602 3.437 6.796 430 HE3 LYS 54 2HE LYS 54 -8.134 2.528 7.152 431 HZ1 LYS 54 3HZ LYS 54 -10.175 3.209 9.194 432 HZ2 LYS 54 1HZ LYS 54 -8.866 2.151 9.364 433 HZ3 LYS 54 2HZ LYS 54 -10.153 1.747 8.344 434 H ARG 55 H ARG 55 -3.472 6.752 10.477 435 HA ARG 55 HA ARG 55 -3.082 9.122 9.087 436 HB2 ARG 55 1HB ARG 55 -2.814 8.424 11.658 437 HB3 ARG 55 2HB ARG 55 -1.115 8.432 11.205 438 HG2 ARG 55 1HG ARG 55 -1.420 10.581 11.960 439 HG3 ARG 55 2HG ARG 55 -1.654 10.772 10.222 440 HD2 ARG 55 1HD ARG 55 -4.148 10.389 10.734 441 HD3 ARG 55 2HD ARG 55 -3.706 10.727 12.407 442 HE ARG 55 HE ARG 55 -3.913 12.616 10.255 443 HH11 ARG 55 1HH1 ARG 55 -2.423 11.941 13.328 444 HH12 ARG 55 2HH1 ARG 55 -2.150 13.609 13.709 445 HH21 ARG 55 1HH2 ARG 55 -3.560 14.815 10.745 446 HH22 ARG 55 2HH2 ARG 55 -2.799 15.243 12.240 447 HA PRO 56 HA PRO 56 1.475 7.658 8.289 448 HB2 PRO 56 1HB PRO 56 1.928 4.989 8.487 449 HB3 PRO 56 2HB PRO 56 2.118 6.100 9.850 450 HG2 PRO 56 1HG PRO 56 -0.175 4.294 9.182 451 HG3 PRO 56 2HG PRO 56 0.583 4.606 10.755 452 HD2 PRO 56 1HD PRO 56 -1.739 5.776 9.999 453 HD3 PRO 56 2HD PRO 56 -0.562 6.583 11.057 454 H PHE 57 H PHE 57 -1.177 5.500 7.428 455 HA PHE 57 HA PHE 57 -0.019 4.963 4.814 456 HB2 PHE 57 1HB PHE 57 -2.702 4.071 5.880 457 HB3 PHE 57 2HB PHE 57 -1.828 3.406 4.505 458 HD1 PHE 57 1HD PHE 57 0.604 2.529 5.100 459 HD2 PHE 57 2HD PHE 57 -2.604 2.936 7.868 460 HE1 PHE 57 1HE PHE 57 1.673 0.877 6.577 461 HE2 PHE 57 2HE PHE 57 -1.540 1.285 9.350 462 HZ PHE 57 HZ PHE 57 0.602 0.254 8.706 463 H VAL 58 H VAL 58 -2.004 7.274 6.238 464 HA VAL 58 HA VAL 58 -3.513 7.849 3.809 465 HB VAL 58 HB VAL 58 -3.602 8.951 6.603 466 HG11 VAL 58 1HG1 VAL 58 -3.787 10.912 5.279 467 HG12 VAL 58 2HG1 VAL 58 -4.858 10.113 4.126 468 HG13 VAL 58 3HG1 VAL 58 -5.424 10.467 5.759 469 HG21 VAL 58 3HG2 VAL 58 -5.463 7.726 6.827 470 HG22 VAL 58 1HG2 VAL 58 -6.072 8.203 5.242 471 HG23 VAL 58 2HG2 VAL 58 -4.918 6.876 5.380 472 H GLU 59 H GLU 59 -0.935 9.208 5.786 473 HA GLU 59 HA GLU 59 -0.749 11.659 4.337 474 HB2 GLU 59 1HB GLU 59 1.306 10.321 6.105 475 HB3 GLU 59 2HB GLU 59 1.338 11.996 5.571 476 HG2 GLU 59 1HG GLU 59 -1.061 11.050 7.037 477 HG3 GLU 59 2HG GLU 59 0.429 11.300 7.947 478 H GLU 60 H GLU 60 0.274 8.474 3.724 479 HA GLU 60 HA GLU 60 2.454 9.260 1.966 480 HB2 GLU 60 1HB GLU 60 2.996 7.293 3.083 481 HB3 GLU 60 2HB GLU 60 1.366 6.649 2.947 482 HG2 GLU 60 1HG GLU 60 1.699 5.859 0.834 483 HG3 GLU 60 2HG GLU 60 2.923 7.070 0.454 484 H ALA 61 H ALA 61 -0.421 7.185 1.557 485 HA ALA 61 HA ALA 61 -0.549 6.923 -1.116 486 HB1 ALA 61 3HB ALA 61 -2.453 5.965 -0.497 487 HB2 ALA 61 1HB ALA 61 -2.460 6.865 1.020 488 HB3 ALA 61 2HB ALA 61 -3.192 7.565 -0.425 489 H GLU 62 H GLU 62 -2.014 9.692 0.598 490 HA GLU 62 HA GLU 62 -2.941 11.167 -1.486 491 HB2 GLU 62 1HB GLU 62 -3.278 11.972 0.727 492 HB3 GLU 62 2HB GLU 62 -1.549 12.083 1.026 493 HG2 GLU 62 1HG GLU 62 -1.323 13.986 -0.313 494 HG3 GLU 62 2HG GLU 62 -2.888 13.736 -1.084 495 H ARG 63 H ARG 63 0.333 11.612 -0.132 496 HA ARG 63 HA ARG 63 1.358 13.352 -1.972 497 HB2 ARG 63 1HB ARG 63 2.850 11.021 -0.756 498 HB3 ARG 63 2HB ARG 63 3.571 12.481 -1.419 499 HG2 ARG 63 1HG ARG 63 2.738 13.812 0.338 500 HG3 ARG 63 2HG ARG 63 1.645 12.537 0.883 501 HD2 ARG 63 1HD ARG 63 3.317 12.283 2.414 502 HD3 ARG 63 2HD ARG 63 3.910 11.204 1.152 503 HE ARG 63 HE ARG 63 5.707 12.581 0.923 504 HH11 ARG 63 1HH1 ARG 63 3.103 14.402 2.344 505 HH12 ARG 63 2HH1 ARG 63 4.052 15.835 2.565 506 HH21 ARG 63 1HH2 ARG 63 6.967 14.461 1.209 507 HH22 ARG 63 2HH2 ARG 63 6.249 15.868 1.919 508 H LEU 64 H LEU 64 0.553 10.031 -2.443 509 HA LEU 64 HA LEU 64 2.070 9.831 -4.919 510 HB2 LEU 64 1HB LEU 64 0.132 7.806 -3.842 511 HB3 LEU 64 2HB LEU 64 1.470 7.552 -4.960 512 HG LEU 64 HG LEU 64 1.675 8.135 -2.007 513 HD11 LEU 64 1HD1 LEU 64 1.630 5.939 -1.731 514 HD12 LEU 64 2HD1 LEU 64 2.985 5.756 -2.844 515 HD13 LEU 64 3HD1 LEU 64 1.331 5.728 -3.456 516 HD21 LEU 64 3HD2 LEU 64 4.154 7.424 -2.715 517 HD22 LEU 64 1HD2 LEU 64 3.612 9.102 -2.674 518 HD23 LEU 64 2HD2 LEU 64 3.653 8.226 -4.205 519 H ARG 65 H ARG 65 -1.332 9.218 -4.023 520 HA ARG 65 HA ARG 65 -2.437 9.151 -6.527 521 HB2 ARG 65 1HB ARG 65 -4.010 8.654 -4.949 522 HB3 ARG 65 2HB ARG 65 -3.444 9.895 -3.839 523 HG2 ARG 65 1HG ARG 65 -4.734 10.816 -6.337 524 HG3 ARG 65 2HG ARG 65 -5.766 10.055 -5.124 525 HD2 ARG 65 1HD ARG 65 -3.839 12.110 -4.195 526 HD3 ARG 65 2HD ARG 65 -5.234 12.663 -5.120 527 HE ARG 65 HE ARG 65 -5.907 10.875 -2.974 528 HH11 ARG 65 1HH1 ARG 65 -5.288 14.186 -3.853 529 HH12 ARG 65 2HH1 ARG 65 -6.203 14.843 -2.536 530 HH21 ARG 65 1HH2 ARG 65 -7.114 11.727 -1.236 531 HH22 ARG 65 2HH2 ARG 65 -7.240 13.444 -1.048 532 H VAL 66 H VAL 66 -1.419 11.955 -4.696 533 HA VAL 66 HA VAL 66 -2.697 13.924 -6.277 534 HB VAL 66 HB VAL 66 -1.166 15.520 -5.256 535 HG11 VAL 66 1HG1 VAL 66 -2.502 13.452 -3.585 536 HG12 VAL 66 2HG1 VAL 66 -1.514 14.676 -2.785 537 HG13 VAL 66 3HG1 VAL 66 -2.883 15.162 -3.786 538 HG21 VAL 66 3HG2 VAL 66 0.905 14.307 -5.358 539 HG22 VAL 66 1HG2 VAL 66 0.573 14.706 -3.673 540 HG23 VAL 66 2HG2 VAL 66 0.286 13.070 -4.265 541 H GLN 67 H GLN 67 0.468 12.369 -6.457 542 HA GLN 67 HA GLN 67 1.557 14.006 -8.474 543 HB2 GLN 67 1HB GLN 67 2.159 11.266 -7.435 544 HB3 GLN 67 2HB GLN 67 2.944 11.818 -8.908 545 HG2 GLN 67 1HG GLN 67 3.986 13.624 -7.778 546 HG3 GLN 67 2HG GLN 67 3.017 13.358 -6.330 547 HE21 GLN 67 1HE2 GLN 67 4.431 12.800 -4.817 548 HE22 GLN 67 2HE2 GLN 67 5.593 11.528 -4.950 549 H HIS 68 H HIS 68 -0.966 11.780 -8.585 550 HA HIS 68 HA HIS 68 -0.571 11.113 -11.398 551 HB2 HIS 68 1HB HIS 68 -1.307 9.267 -10.082 552 HB3 HIS 68 2HB HIS 68 -2.586 10.220 -9.337 553 HD1 HIS 68 1HD HIS 68 -1.750 8.309 -12.429 554 HD2 HIS 68 2HD HIS 68 -4.909 10.523 -10.887 555 HE1 HIS 68 1HE HIS 68 -3.708 7.822 -13.930 556 HE2 HIS 68 2HE HIS 68 -5.585 9.239 -13.028 557 H MET 69 H MET 69 -2.719 12.970 -9.315 558 HA MET 69 HA MET 69 -4.544 13.688 -11.390 559 HB2 MET 69 1HB MET 69 -4.048 14.988 -8.706 560 HB3 MET 69 2HB MET 69 -5.421 15.309 -9.757 561 HG2 MET 69 1HG MET 69 -5.778 12.720 -9.554 562 HG3 MET 69 2HG MET 69 -4.826 12.924 -8.085 563 HE1 MET 69 3HE MET 69 -6.261 15.753 -6.478 564 HE2 MET 69 1HE MET 69 -6.770 14.330 -5.568 565 HE3 MET 69 2HE MET 69 -5.192 14.354 -6.356 566 H GLN 70 H GLN 70 -1.798 15.305 -9.835 567 HA GLN 70 HA GLN 70 -1.986 17.781 -11.075 568 HB2 GLN 70 1HB GLN 70 0.325 18.102 -10.521 569 HB3 GLN 70 2HB GLN 70 -0.418 17.175 -9.224 570 HG2 GLN 70 1HG GLN 70 0.533 15.124 -10.132 571 HG3 GLN 70 2HG GLN 70 1.266 16.043 -11.446 572 HE21 GLN 70 1HE2 GLN 70 3.237 16.833 -11.154 573 HE22 GLN 70 2HE2 GLN 70 4.075 16.910 -9.646 574 H ASP 71 H ASP 71 -0.715 14.747 -12.280 575 HA ASP 71 HA ASP 71 0.671 15.694 -14.520 576 HB2 ASP 71 1HB ASP 71 0.737 13.351 -13.615 577 HB3 ASP 71 2HB ASP 71 -0.846 13.086 -14.340 578 H HIS 72 H HIS 72 -2.737 15.168 -13.963 579 HA HIS 72 HA HIS 72 -3.323 16.493 -16.497 580 HB2 HIS 72 1HB HIS 72 -5.268 14.717 -16.688 581 HB3 HIS 72 2HB HIS 72 -3.667 14.377 -17.340 582 HD1 HIS 72 1HD HIS 72 -6.081 13.286 -14.752 583 HD2 HIS 72 2HD HIS 72 -2.151 12.495 -15.843 584 HE1 HIS 72 1HE HIS 72 -5.451 11.185 -13.521 585 HE2 HIS 72 2HE HIS 72 -3.042 10.774 -14.130 586 HA PRO 73 HA PRO 73 -6.010 18.588 -13.631 587 HB2 PRO 73 1HB PRO 73 -7.055 20.320 -15.441 588 HB3 PRO 73 2HB PRO 73 -5.441 20.513 -14.748 589 HG2 PRO 73 1HG PRO 73 -6.241 19.369 -17.397 590 HG3 PRO 73 2HG PRO 73 -4.909 20.474 -17.012 591 HD2 PRO 73 1HD PRO 73 -4.539 17.817 -17.378 592 HD3 PRO 73 2HD PRO 73 -3.550 18.773 -16.256 593 H ASN 74 H ASN 74 -6.822 16.469 -16.070 594 HA ASN 74 HA ASN 74 -9.423 16.770 -16.742 595 HB2 ASN 74 1HB ASN 74 -7.799 14.359 -16.058 596 HB3 ASN 74 2HB ASN 74 -9.532 14.156 -16.304 597 HD21 ASN 74 1HD2 ASN 74 -6.634 15.512 -17.801 598 HD22 ASN 74 2HD2 ASN 74 -7.121 15.210 -19.431 599 H TYR 75 H TYR 75 -8.333 15.227 -13.718 600 HA TYR 75 HA TYR 75 -10.641 14.579 -12.500 601 HB2 TYR 75 1HB TYR 75 -9.588 15.009 -10.357 602 HB3 TYR 75 2HB TYR 75 -8.392 14.363 -11.475 603 HD1 TYR 75 1HD TYR 75 -9.556 17.422 -9.769 604 HD2 TYR 75 2HD TYR 75 -6.486 15.644 -12.118 605 HE1 TYR 75 1HE TYR 75 -8.099 19.351 -9.314 606 HE2 TYR 75 2HE TYR 75 -5.020 17.567 -11.669 607 HH TYR 75 HH TYR 75 -6.013 20.163 -9.483 608 H LYS 76 H LYS 76 -12.058 15.626 -10.972 609 HA LYS 76 HA LYS 76 -13.336 17.869 -11.905 610 HB2 LYS 76 1HB LYS 76 -14.372 18.045 -9.664 611 HB3 LYS 76 2HB LYS 76 -14.366 16.397 -10.279 612 HG2 LYS 76 1HG LYS 76 -12.225 16.094 -8.910 613 HG3 LYS 76 2HG LYS 76 -12.691 17.592 -8.101 614 HD2 LYS 76 1HD LYS 76 -14.615 15.306 -8.363 615 HD3 LYS 76 2HD LYS 76 -13.426 15.352 -7.060 616 HE2 LYS 76 1HE LYS 76 -15.158 16.405 -6.018 617 HE3 LYS 76 2HE LYS 76 -14.385 17.801 -6.767 618 HZ1 LYS 76 3HZ LYS 76 -16.935 16.555 -7.365 619 HZ2 LYS 76 1HZ LYS 76 -16.033 17.040 -8.712 620 HZ3 LYS 76 2HZ LYS 76 -16.453 18.169 -7.524 621 H SER 77 H SER 77 -12.298 19.723 -12.345 622 HA SER 77 HA SER 77 -10.464 20.842 -10.353 623 HB2 SER 77 1HB SER 77 -9.764 20.647 -12.767 624 HB3 SER 77 2HB SER 77 -10.994 21.849 -13.155 625 HG SER 77 HG SER 77 -8.957 22.295 -11.239 626 H GLY 78 H GLY 78 -10.960 22.570 -9.149 627 HA2 GLY 78 1HA GLY 78 -13.641 23.632 -9.283 628 HA3 GLY 78 2HA GLY 78 -12.412 24.042 -8.096 629 HA PRO 79 HA PRO 79 -13.038 27.574 -11.119 630 HB2 PRO 79 1HB PRO 79 -13.721 29.427 -9.256 631 HB3 PRO 79 2HB PRO 79 -14.905 28.383 -10.052 632 HG2 PRO 79 1HG PRO 79 -13.644 28.102 -7.351 633 HG3 PRO 79 2HG PRO 79 -15.336 27.862 -7.827 634 HD2 PRO 79 1HD PRO 79 -13.616 25.801 -7.469 635 HD3 PRO 79 2HD PRO 79 -14.933 25.750 -8.659 636 H SER 80 H SER 80 -11.797 27.851 -7.782 637 HA SER 80 HA SER 80 -9.442 29.245 -8.875 638 HB2 SER 80 1HB SER 80 -11.041 30.531 -7.314 639 HB3 SER 80 2HB SER 80 -10.390 29.516 -6.027 640 HG SER 80 HG SER 80 -9.094 31.268 -6.049 641 H SER 81 H SER 81 -7.658 28.069 -8.813 642 HA SER 81 HA SER 81 -7.258 25.588 -7.853 643 HB2 SER 81 1HB SER 81 -5.599 26.882 -9.181 644 HB3 SER 81 2HB SER 81 -5.159 27.767 -7.720 645 HG SER 81 HG SER 81 -5.069 24.949 -7.801 646 H GLY 82 H GLY 82 -6.684 28.562 -5.987 647 HA2 GLY 82 1HA GLY 82 -7.596 28.283 -3.618 648 HA3 GLY 82 2HA GLY 82 -6.509 26.904 -3.554 Start of MODEL 4 1 H1 GLY 1 H GLY 1 11.938 -14.604 -15.810 2 HA2 GLY 1 1HA GLY 1 10.236 -13.684 -17.782 3 HA3 GLY 1 2HA GLY 1 9.776 -14.847 -16.547 4 H SER 2 H SER 2 10.650 -11.427 -16.204 5 HA SER 2 HA SER 2 7.895 -10.713 -15.629 6 HB2 SER 2 1HB SER 2 10.065 -10.731 -13.542 7 HB3 SER 2 2HB SER 2 8.693 -9.630 -13.423 8 HG SER 2 HG SER 2 7.322 -11.458 -13.476 9 H SER 3 H SER 3 7.677 -9.019 -16.936 10 HA SER 3 HA SER 3 9.880 -7.249 -17.511 11 HB2 SER 3 1HB SER 3 8.430 -6.219 -19.111 12 HB3 SER 3 2HB SER 3 8.128 -7.954 -19.197 13 HG SER 3 HG SER 3 6.261 -6.387 -19.052 14 H GLY 4 H GLY 4 9.983 -5.031 -17.048 15 HA2 GLY 4 1HA GLY 4 8.139 -4.108 -14.934 16 HA3 GLY 4 2HA GLY 4 9.876 -3.881 -14.798 17 H SER 5 H SER 5 7.283 -2.151 -15.220 18 HA SER 5 HA SER 5 8.104 -0.619 -17.556 19 HB2 SER 5 1HB SER 5 5.688 -0.674 -15.796 20 HB3 SER 5 2HB SER 5 6.038 0.800 -16.699 21 HG SER 5 HG SER 5 5.004 -1.532 -17.576 22 H SER 6 H SER 6 8.058 1.828 -17.306 23 HA SER 6 HA SER 6 9.819 2.518 -15.081 24 HB2 SER 6 1HB SER 6 10.566 4.338 -16.373 25 HB3 SER 6 2HB SER 6 10.305 3.059 -17.559 26 HG SER 6 HG SER 6 8.046 4.153 -17.554 27 H GLY 7 H GLY 7 9.386 4.101 -13.588 28 HA2 GLY 7 1HA GLY 7 8.158 5.603 -12.350 29 HA3 GLY 7 2HA GLY 7 7.168 5.878 -13.776 30 H ILE 8 H ILE 8 5.576 6.023 -11.888 31 HA ILE 8 HA ILE 8 4.672 3.417 -10.943 32 HB ILE 8 HB ILE 8 3.620 6.177 -10.309 33 HG12 ILE 8 1HG1 ILE 8 4.675 5.514 -8.024 34 HG13 ILE 8 2HG1 ILE 8 5.608 4.363 -8.973 35 HG21 ILE 8 1HG2 ILE 8 2.979 4.192 -8.357 36 HG22 ILE 8 2HG2 ILE 8 1.896 5.204 -9.310 37 HG23 ILE 8 3HG2 ILE 8 2.434 3.649 -9.943 38 HD11 ILE 8 3HD1 ILE 8 6.948 5.948 -9.785 39 HD12 ILE 8 1HD1 ILE 8 5.618 7.074 -10.055 40 HD13 ILE 8 2HD1 ILE 8 6.337 6.927 -8.451 41 H ARG 9 H ARG 9 3.151 2.302 -11.959 42 HA ARG 9 HA ARG 9 1.898 3.104 -14.307 43 HB2 ARG 9 1HB ARG 9 1.167 0.970 -12.303 44 HB3 ARG 9 2HB ARG 9 0.310 1.181 -13.824 45 HG2 ARG 9 1HG ARG 9 2.564 0.923 -14.960 46 HG3 ARG 9 2HG ARG 9 3.166 0.371 -13.396 47 HD2 ARG 9 1HD ARG 9 1.062 -1.212 -13.534 48 HD3 ARG 9 2HD ARG 9 1.245 -0.924 -15.264 49 HE ARG 9 HE ARG 9 3.734 -1.639 -14.160 50 HH11 ARG 9 1HH1 ARG 9 0.630 -3.009 -14.941 51 HH12 ARG 9 2HH1 ARG 9 1.252 -4.606 -15.192 52 HH21 ARG 9 1HH2 ARG 9 4.565 -3.738 -14.489 53 HH22 ARG 9 2HH2 ARG 9 3.490 -5.020 -14.934 54 H ARG 10 H ARG 10 0.409 2.782 -11.079 55 HA ARG 10 HA ARG 10 -1.284 5.083 -11.652 56 HB2 ARG 10 1HB ARG 10 -3.329 3.861 -10.952 57 HB3 ARG 10 2HB ARG 10 -2.648 3.262 -12.459 58 HG2 ARG 10 1HG ARG 10 -1.859 1.934 -9.918 59 HG3 ARG 10 2HG ARG 10 -3.466 1.623 -10.579 60 HD2 ARG 10 1HD ARG 10 -2.430 0.973 -12.719 61 HD3 ARG 10 2HD ARG 10 -0.838 1.228 -12.005 62 HE ARG 10 HE ARG 10 -2.615 -1.005 -11.553 63 HH11 ARG 10 1HH1 ARG 10 0.142 0.791 -10.417 64 HH12 ARG 10 2HH1 ARG 10 0.779 -0.524 -9.486 65 HH21 ARG 10 1HH2 ARG 10 -1.787 -2.744 -10.331 66 HH22 ARG 10 2HH2 ARG 10 -0.319 -2.534 -9.438 67 HA PRO 11 HA PRO 11 -0.570 5.946 -7.403 68 HB2 PRO 11 1HB PRO 11 -2.737 7.488 -6.857 69 HB3 PRO 11 2HB PRO 11 -1.378 8.052 -7.837 70 HG2 PRO 11 1HG PRO 11 -4.036 6.994 -8.716 71 HG3 PRO 11 2HG PRO 11 -3.124 8.382 -9.337 72 HD2 PRO 11 1HD PRO 11 -3.151 5.980 -10.586 73 HD3 PRO 11 2HD PRO 11 -1.741 7.059 -10.621 74 H MET 12 H MET 12 -1.335 5.525 -5.273 75 HA MET 12 HA MET 12 -3.601 3.645 -5.151 76 HB2 MET 12 1HB MET 12 -1.400 3.451 -3.155 77 HB3 MET 12 2HB MET 12 -2.438 2.190 -3.806 78 HG2 MET 12 1HG MET 12 -1.160 2.589 -6.008 79 HG3 MET 12 2HG MET 12 0.027 3.396 -4.986 80 HE1 MET 12 3HE MET 12 1.746 1.558 -3.090 81 HE2 MET 12 1HE MET 12 0.234 2.313 -2.587 82 HE3 MET 12 2HE MET 12 0.493 0.591 -2.311 83 H ASN 13 H ASN 13 -4.835 3.640 -3.211 84 HA ASN 13 HA ASN 13 -4.851 6.247 -1.890 85 HB2 ASN 13 1HB ASN 13 -7.106 5.847 -1.343 86 HB3 ASN 13 2HB ASN 13 -6.926 5.176 -2.961 87 HD21 ASN 13 1HD2 ASN 13 -6.431 2.827 -3.051 88 HD22 ASN 13 2HD2 ASN 13 -7.218 1.801 -1.906 89 H ALA 14 H ALA 14 -5.969 5.836 0.486 90 HA ALA 14 HA ALA 14 -3.882 5.028 2.138 91 HB1 ALA 14 3HB ALA 14 -5.991 4.786 3.801 92 HB2 ALA 14 1HB ALA 14 -5.266 6.329 3.349 93 HB3 ALA 14 2HB ALA 14 -6.710 5.754 2.514 94 H PHE 15 H PHE 15 -6.849 3.272 1.263 95 HA PHE 15 HA PHE 15 -6.365 0.976 2.787 96 HB2 PHE 15 1HB PHE 15 -8.545 1.195 1.941 97 HB3 PHE 15 2HB PHE 15 -7.975 1.492 0.302 98 HD1 PHE 15 2HD PHE 15 -7.285 -0.342 -1.128 99 HD2 PHE 15 1HD PHE 15 -8.732 -1.040 2.813 100 HE1 PHE 15 2HE PHE 15 -7.585 -2.724 -1.664 101 HE2 PHE 15 1HE PHE 15 -9.034 -3.424 2.284 102 HZ PHE 15 HZ PHE 15 -8.462 -4.269 0.042 103 H MET 16 H MET 16 -5.684 1.580 -0.658 104 HA MET 16 HA MET 16 -4.487 -0.847 -1.262 105 HB2 MET 16 1HB MET 16 -4.052 1.924 -2.358 106 HB3 MET 16 2HB MET 16 -3.207 0.525 -3.008 107 HG2 MET 16 1HG MET 16 -6.171 0.437 -2.773 108 HG3 MET 16 2HG MET 16 -5.439 1.374 -4.073 109 HE1 MET 16 3HE MET 16 -3.330 -0.933 -5.975 110 HE2 MET 16 1HE MET 16 -4.856 -0.356 -6.645 111 HE3 MET 16 2HE MET 16 -3.900 0.693 -5.599 112 H VAL 17 H VAL 17 -2.787 2.187 -0.453 113 HA VAL 17 HA VAL 17 -0.215 1.347 -0.343 114 HB VAL 17 HB VAL 17 -1.503 3.135 1.725 115 HG11 VAL 17 1HG1 VAL 17 0.692 4.060 2.068 116 HG12 VAL 17 2HG1 VAL 17 0.765 2.312 2.304 117 HG13 VAL 17 3HG1 VAL 17 1.367 3.028 0.808 118 HG21 VAL 17 3HG2 VAL 17 -0.012 4.384 -0.449 119 HG22 VAL 17 1HG2 VAL 17 -1.446 3.514 -0.993 120 HG23 VAL 17 2HG2 VAL 17 -1.594 4.787 0.218 121 H TRP 18 H TRP 18 -2.139 1.505 2.654 122 HA TRP 18 HA TRP 18 -0.497 0.028 4.272 123 HB2 TRP 18 1HB TRP 18 -2.268 0.998 5.404 124 HB3 TRP 18 2HB TRP 18 -3.457 0.454 4.224 125 HD1 TRP 18 HD TRP 18 -1.707 -0.615 7.418 126 HE1 TRP 18 1HE TRP 18 -2.799 -2.776 8.292 127 HE3 TRP 18 3HE TRP 18 -4.678 -1.705 3.403 128 HZ2 TRP 18 2HZ TRP 18 -4.671 -4.690 7.397 129 HZ3 TRP 18 3HZ TRP 18 -6.089 -3.719 3.492 130 HH2 TRP 18 HH TRP 18 -6.083 -5.179 5.448 131 H ALA 19 H ALA 19 -2.734 -1.133 1.843 132 HA ALA 19 HA ALA 19 -2.647 -3.874 2.627 133 HB1 ALA 19 3HB ALA 19 -4.492 -3.599 1.356 134 HB2 ALA 19 1HB ALA 19 -3.762 -2.323 0.380 135 HB3 ALA 19 2HB ALA 19 -3.387 -4.014 0.046 136 H LYS 20 H LYS 20 -0.788 -1.864 0.426 137 HA LYS 20 HA LYS 20 0.524 -3.610 -1.169 138 HB2 LYS 20 1HB LYS 20 2.171 -2.014 -1.440 139 HB3 LYS 20 2HB LYS 20 0.868 -1.044 -0.766 140 HG2 LYS 20 1HG LYS 20 2.011 -1.621 1.511 141 HG3 LYS 20 2HG LYS 20 3.418 -1.931 0.492 142 HD2 LYS 20 1HD LYS 20 1.831 0.622 0.343 143 HD3 LYS 20 2HD LYS 20 3.202 0.414 1.435 144 HE2 LYS 20 1HE LYS 20 4.398 -0.388 -0.772 145 HE3 LYS 20 2HE LYS 20 3.140 0.580 -1.539 146 HZ1 LYS 20 3HZ LYS 20 4.595 1.806 0.672 147 HZ2 LYS 20 1HZ LYS 20 4.008 2.500 -0.755 148 HZ3 LYS 20 2HZ LYS 20 5.441 1.602 -0.779 149 H ASP 21 H ASP 21 0.867 -3.314 2.279 150 HA ASP 21 HA ASP 21 3.169 -5.105 2.323 151 HB2 ASP 21 1HB ASP 21 2.986 -3.065 3.822 152 HB3 ASP 21 2HB ASP 21 1.725 -3.928 4.699 153 H GLU 22 H GLU 22 -0.121 -4.969 3.682 154 HA GLU 22 HA GLU 22 -0.153 -7.521 4.807 155 HB2 GLU 22 1HB GLU 22 -2.237 -5.596 3.900 156 HB3 GLU 22 2HB GLU 22 -2.738 -7.248 4.231 157 HG2 GLU 22 1HG GLU 22 -2.930 -5.566 6.122 158 HG3 GLU 22 2HG GLU 22 -2.148 -7.104 6.483 159 H ARG 23 H ARG 23 -1.505 -6.501 1.666 160 HA ARG 23 HA ARG 23 -2.433 -8.798 0.633 161 HB2 ARG 23 1HB ARG 23 -2.283 -6.594 -0.552 162 HB3 ARG 23 2HB ARG 23 -0.605 -6.966 -0.924 163 HG2 ARG 23 1HG ARG 23 -1.544 -9.109 -1.999 164 HG3 ARG 23 2HG ARG 23 -3.094 -8.266 -1.953 165 HD2 ARG 23 1HD ARG 23 -2.286 -6.520 -3.338 166 HD3 ARG 23 2HD ARG 23 -0.618 -7.065 -3.168 167 HE ARG 23 HE ARG 23 -2.190 -9.101 -4.333 168 HH11 ARG 23 1HH1 ARG 23 -0.756 -6.012 -5.055 169 HH12 ARG 23 2HH1 ARG 23 -0.605 -6.331 -6.751 170 HH21 ARG 23 1HH2 ARG 23 -1.996 -9.534 -6.564 171 HH22 ARG 23 2HH2 ARG 23 -1.311 -8.335 -7.609 172 H LYS 24 H LYS 24 0.997 -7.903 0.747 173 HA LYS 24 HA LYS 24 2.136 -9.972 -0.642 174 HB2 LYS 24 1HB LYS 24 3.117 -8.666 1.901 175 HB3 LYS 24 2HB LYS 24 4.102 -9.709 0.884 176 HG2 LYS 24 1HG LYS 24 3.353 -7.989 -0.981 177 HG3 LYS 24 2HG LYS 24 3.172 -6.932 0.421 178 HD2 LYS 24 1HD LYS 24 5.377 -6.593 -0.334 179 HD3 LYS 24 2HD LYS 24 5.525 -7.650 1.072 180 HE2 LYS 24 1HE LYS 24 6.908 -8.713 -0.423 181 HE3 LYS 24 2HE LYS 24 5.386 -9.551 -0.722 182 HZ1 LYS 24 3HZ LYS 24 6.828 -8.561 -2.670 183 HZ2 LYS 24 1HZ LYS 24 5.952 -7.160 -2.306 184 HZ3 LYS 24 2HZ LYS 24 5.139 -8.578 -2.742 185 H ARG 25 H ARG 25 1.171 -9.975 2.777 186 HA ARG 25 HA ARG 25 2.018 -12.621 3.307 187 HB2 ARG 25 1HB ARG 25 1.142 -12.324 5.410 188 HB3 ARG 25 2HB ARG 25 1.324 -10.647 4.912 189 HG2 ARG 25 1HG ARG 25 -1.144 -11.005 4.046 190 HG3 ARG 25 2HG ARG 25 -1.135 -12.262 5.285 191 HD2 ARG 25 1HD ARG 25 -0.205 -9.474 5.881 192 HD3 ARG 25 2HD ARG 25 -1.915 -9.900 5.942 193 HE ARG 25 HE ARG 25 -0.569 -11.778 7.469 194 HH11 ARG 25 1HH1 ARG 25 -1.103 -8.338 7.498 195 HH12 ARG 25 2HH1 ARG 25 -0.997 -8.205 9.222 196 HH21 ARG 25 1HH2 ARG 25 -0.428 -11.616 9.740 197 HH22 ARG 25 2HH2 ARG 25 -0.612 -10.070 10.496 198 H LEU 26 H LEU 26 -0.950 -11.253 2.047 199 HA LEU 26 HA LEU 26 -2.581 -13.541 2.349 200 HB2 LEU 26 1HB LEU 26 -2.791 -11.376 0.264 201 HB3 LEU 26 2HB LEU 26 -4.071 -12.478 0.768 202 HG LEU 26 HG LEU 26 -2.875 -10.194 2.323 203 HD11 LEU 26 1HD1 LEU 26 -5.558 -10.801 1.133 204 HD12 LEU 26 2HD1 LEU 26 -4.542 -9.377 0.913 205 HD13 LEU 26 3HD1 LEU 26 -5.372 -9.639 2.446 206 HD21 LEU 26 3HD2 LEU 26 -4.374 -10.862 4.158 207 HD22 LEU 26 1HD2 LEU 26 -3.120 -12.062 3.845 208 HD23 LEU 26 2HD2 LEU 26 -4.767 -12.340 3.279 209 H ALA 27 H ALA 27 -0.583 -12.370 -0.336 210 HA ALA 27 HA ALA 27 -1.257 -14.268 -2.249 211 HB1 ALA 27 3HB ALA 27 0.049 -12.716 -3.230 212 HB2 ALA 27 1HB ALA 27 1.024 -12.466 -1.781 213 HB3 ALA 27 2HB ALA 27 1.341 -13.847 -2.831 214 H GLN 28 H GLN 28 1.393 -14.384 0.130 215 HA GLN 28 HA GLN 28 2.286 -16.964 -0.584 216 HB2 GLN 28 1HB GLN 28 3.489 -16.918 1.573 217 HB3 GLN 28 2HB GLN 28 3.720 -15.443 0.643 218 HG2 GLN 28 1HG GLN 28 2.383 -14.186 2.069 219 HG3 GLN 28 2HG GLN 28 1.607 -15.613 2.754 220 HE21 GLN 28 1HE2 GLN 28 2.212 -14.356 4.736 221 HE22 GLN 28 2HE2 GLN 28 3.758 -14.683 5.434 222 H GLN 29 H GLN 29 -0.153 -15.816 1.655 223 HA GLN 29 HA GLN 29 -0.540 -18.313 2.977 224 HB2 GLN 29 1HB GLN 29 -1.927 -15.684 2.910 225 HB3 GLN 29 2HB GLN 29 -2.859 -17.072 3.454 226 HG2 GLN 29 1HG GLN 29 -0.815 -17.499 5.002 227 HG3 GLN 29 2HG GLN 29 -0.462 -15.800 4.689 228 HE21 GLN 29 1HE2 GLN 29 -0.946 -14.873 6.579 229 HE22 GLN 29 2HE2 GLN 29 -2.486 -14.952 7.356 230 H ASN 30 H ASN 30 -1.955 -16.749 0.170 231 HA ASN 30 HA ASN 30 -3.398 -19.248 -0.406 232 HB2 ASN 30 1HB ASN 30 -4.421 -16.442 -0.905 233 HB3 ASN 30 2HB ASN 30 -5.237 -17.929 -1.380 234 HD21 ASN 30 1HD2 ASN 30 -5.096 -15.569 0.902 235 HD22 ASN 30 2HD2 ASN 30 -5.852 -16.395 2.218 236 HA PRO 31 HA PRO 31 -0.579 -18.268 -3.913 237 HB2 PRO 31 1HB PRO 31 0.055 -20.862 -4.402 238 HB3 PRO 31 2HB PRO 31 0.893 -19.880 -3.195 239 HG2 PRO 31 1HG PRO 31 -1.292 -21.892 -2.817 240 HG3 PRO 31 2HG PRO 31 0.180 -21.645 -1.859 241 HD2 PRO 31 1HD PRO 31 -2.240 -20.716 -1.077 242 HD3 PRO 31 2HD PRO 31 -0.725 -19.874 -0.693 243 H ASP 32 H ASP 32 -3.536 -19.807 -3.497 244 HA ASP 32 HA ASP 32 -3.817 -20.333 -6.380 245 HB2 ASP 32 1HB ASP 32 -4.317 -22.107 -4.483 246 HB3 ASP 32 2HB ASP 32 -5.854 -21.250 -4.395 247 H LEU 33 H LEU 33 -4.764 -18.270 -3.837 248 HA LEU 33 HA LEU 33 -7.217 -17.388 -5.100 249 HB2 LEU 33 1HB LEU 33 -5.712 -16.472 -2.662 250 HB3 LEU 33 2HB LEU 33 -7.170 -15.674 -3.246 251 HG LEU 33 HG LEU 33 -6.951 -18.505 -2.225 252 HD11 LEU 33 1HD1 LEU 33 -7.678 -17.763 -0.246 253 HD12 LEU 33 2HD1 LEU 33 -8.820 -16.638 -0.980 254 HD13 LEU 33 3HD1 LEU 33 -7.126 -16.181 -0.798 255 HD21 LEU 33 3HD2 LEU 33 -8.553 -18.412 -4.037 256 HD22 LEU 33 1HD2 LEU 33 -9.325 -16.999 -3.318 257 HD23 LEU 33 2HD2 LEU 33 -9.400 -18.557 -2.496 258 H HIS 34 H HIS 34 -7.564 -15.097 -5.622 259 HA HIS 34 HA HIS 34 -5.117 -13.829 -6.667 260 HB2 HIS 34 1HB HIS 34 -6.556 -12.911 -8.497 261 HB3 HIS 34 2HB HIS 34 -6.387 -14.664 -8.535 262 HD1 HIS 34 1HD HIS 34 -8.881 -12.003 -8.448 263 HD2 HIS 34 2HD HIS 34 -8.745 -16.052 -7.529 264 HE1 HIS 34 1HE HIS 34 -11.280 -12.747 -8.336 265 HE2 HIS 34 2HE HIS 34 -11.175 -15.181 -7.695 266 H ASN 35 H ASN 35 -5.517 -11.425 -7.148 267 HA ASN 35 HA ASN 35 -5.735 -9.936 -4.944 268 HB2 ASN 35 1HB ASN 35 -5.403 -9.247 -7.461 269 HB3 ASN 35 2HB ASN 35 -7.117 -8.852 -7.369 270 HD21 ASN 35 1HD2 ASN 35 -5.149 -6.963 -7.870 271 HD22 ASN 35 2HD2 ASN 35 -5.076 -5.867 -6.537 272 H ALA 36 H ALA 36 -8.561 -10.215 -7.105 273 HA ALA 36 HA ALA 36 -10.508 -9.099 -5.629 274 HB1 ALA 36 3HB ALA 36 -11.443 -11.660 -6.636 275 HB2 ALA 36 1HB ALA 36 -11.892 -10.023 -7.112 276 HB3 ALA 36 2HB ALA 36 -10.461 -10.783 -7.809 277 H GLU 37 H GLU 37 -9.110 -12.286 -5.057 278 HA GLU 37 HA GLU 37 -10.926 -12.914 -2.918 279 HB2 GLU 37 1HB GLU 37 -8.400 -14.214 -3.928 280 HB3 GLU 37 2HB GLU 37 -9.279 -14.817 -2.530 281 HG2 GLU 37 1HG GLU 37 -10.719 -14.406 -5.107 282 HG3 GLU 37 2HG GLU 37 -9.700 -15.828 -4.889 283 H LEU 38 H LEU 38 -7.571 -11.822 -3.181 284 HA LEU 38 HA LEU 38 -6.887 -11.947 -0.475 285 HB2 LEU 38 1HB LEU 38 -5.911 -9.814 -2.350 286 HB3 LEU 38 2HB LEU 38 -5.060 -10.548 -0.992 287 HG LEU 38 HG LEU 38 -5.669 -11.826 -3.656 288 HD11 LEU 38 1HD1 LEU 38 -3.817 -10.578 -4.092 289 HD12 LEU 38 2HD1 LEU 38 -3.039 -12.008 -3.415 290 HD13 LEU 38 3HD1 LEU 38 -3.281 -10.578 -2.412 291 HD21 LEU 38 3HD2 LEU 38 -5.876 -13.565 -2.080 292 HD22 LEU 38 1HD2 LEU 38 -4.525 -12.964 -1.119 293 HD23 LEU 38 2HD2 LEU 38 -4.229 -13.685 -2.700 294 H SER 39 H SER 39 -8.231 -9.243 -2.354 295 HA SER 39 HA SER 39 -8.277 -7.243 -0.514 296 HB2 SER 39 1HB SER 39 -9.344 -7.495 -2.955 297 HB3 SER 39 2HB SER 39 -10.821 -7.653 -2.006 298 HG SER 39 HG SER 39 -10.630 -5.513 -2.276 299 H LYS 40 H LYS 40 -10.842 -9.692 -0.881 300 HA LYS 40 HA LYS 40 -12.616 -9.045 1.018 301 HB2 LYS 40 1HB LYS 40 -11.445 -11.776 0.487 302 HB3 LYS 40 2HB LYS 40 -12.852 -11.516 1.510 303 HG2 LYS 40 1HG LYS 40 -12.918 -10.357 -1.214 304 HG3 LYS 40 2HG LYS 40 -13.050 -12.111 -1.066 305 HD2 LYS 40 1HD LYS 40 -14.944 -11.865 0.435 306 HD3 LYS 40 2HD LYS 40 -14.786 -10.108 0.379 307 HE2 LYS 40 1HE LYS 40 -15.084 -11.569 -2.191 308 HE3 LYS 40 2HE LYS 40 -16.505 -11.417 -1.158 309 HZ1 LYS 40 3HZ LYS 40 -15.922 -9.600 -2.927 310 HZ2 LYS 40 1HZ LYS 40 -14.915 -9.017 -1.699 311 HZ3 LYS 40 2HZ LYS 40 -16.577 -9.169 -1.428 312 H MET 41 H MET 41 -9.354 -10.140 1.609 313 HA MET 41 HA MET 41 -9.814 -10.259 4.489 314 HB2 MET 41 1HB MET 41 -7.212 -10.726 3.039 315 HB3 MET 41 2HB MET 41 -7.644 -11.235 4.665 316 HG2 MET 41 1HG MET 41 -9.148 -12.874 3.848 317 HG3 MET 41 2HG MET 41 -9.045 -12.240 2.207 318 HE1 MET 41 3HE MET 41 -8.081 -13.099 0.632 319 HE2 MET 41 1HE MET 41 -6.409 -13.646 0.506 320 HE3 MET 41 2HE MET 41 -7.694 -14.809 0.831 321 H LEU 42 H LEU 42 -8.157 -8.329 2.071 322 HA LEU 42 HA LEU 42 -6.677 -6.716 3.869 323 HB2 LEU 42 1HB LEU 42 -7.627 -6.147 1.066 324 HB3 LEU 42 2HB LEU 42 -6.453 -5.175 1.952 325 HG LEU 42 HG LEU 42 -6.038 -8.070 1.216 326 HD11 LEU 42 1HD1 LEU 42 -4.294 -6.387 -0.211 327 HD12 LEU 42 2HD1 LEU 42 -5.917 -5.733 -0.426 328 HD13 LEU 42 3HD1 LEU 42 -5.581 -7.412 -0.849 329 HD21 LEU 42 3HD2 LEU 42 -3.811 -6.215 1.792 330 HD22 LEU 42 1HD2 LEU 42 -3.994 -7.927 2.175 331 HD23 LEU 42 2HD2 LEU 42 -4.803 -6.711 3.164 332 H GLY 43 H GLY 43 -9.975 -6.698 2.826 333 HA2 GLY 43 1HA GLY 43 -10.498 -3.962 3.545 334 HA3 GLY 43 2HA GLY 43 -11.695 -5.183 3.140 335 H LYS 44 H LYS 44 -11.356 -7.102 4.992 336 HA LYS 44 HA LYS 44 -12.691 -6.129 7.229 337 HB2 LYS 44 1HB LYS 44 -12.309 -8.298 8.233 338 HB3 LYS 44 2HB LYS 44 -12.663 -8.503 6.523 339 HG2 LYS 44 1HG LYS 44 -10.339 -8.870 6.031 340 HG3 LYS 44 2HG LYS 44 -9.892 -8.506 7.700 341 HD2 LYS 44 1HD LYS 44 -9.886 -10.850 7.576 342 HD3 LYS 44 2HD LYS 44 -11.420 -10.446 8.351 343 HE2 LYS 44 1HE LYS 44 -12.258 -10.458 5.835 344 HE3 LYS 44 2HE LYS 44 -10.880 -11.540 5.641 345 HZ1 LYS 44 3HZ LYS 44 -13.401 -12.162 6.628 346 HZ2 LYS 44 1HZ LYS 44 -12.335 -12.277 7.937 347 HZ3 LYS 44 2HZ LYS 44 -12.050 -13.175 6.533 348 H SER 45 H SER 45 -9.253 -6.557 6.646 349 HA SER 45 HA SER 45 -8.504 -5.975 9.362 350 HB2 SER 45 1HB SER 45 -7.008 -6.416 6.797 351 HB3 SER 45 2HB SER 45 -6.175 -5.738 8.196 352 HG SER 45 HG SER 45 -7.735 -8.026 8.568 353 H TRP 46 H TRP 46 -8.986 -4.180 6.422 354 HA TRP 46 HA TRP 46 -7.559 -1.843 7.159 355 HB2 TRP 46 1HB TRP 46 -8.163 -2.316 4.831 356 HB3 TRP 46 2HB TRP 46 -9.872 -2.175 5.235 357 HD1 TRP 46 HD TRP 46 -10.842 0.071 4.526 358 HE1 TRP 46 1HE TRP 46 -9.963 2.478 4.278 359 HE3 TRP 46 3HE TRP 46 -6.016 -0.667 6.044 360 HZ2 TRP 46 2HZ TRP 46 -7.544 3.878 4.672 361 HZ3 TRP 46 3HZ TRP 46 -4.484 1.258 6.079 362 HH2 TRP 46 HH TRP 46 -5.234 3.482 5.406 363 H LYS 47 H LYS 47 -11.094 -2.178 6.839 364 HA LYS 47 HA LYS 47 -11.889 0.066 8.152 365 HB2 LYS 47 1HB LYS 47 -13.084 -2.635 7.819 366 HB3 LYS 47 2HB LYS 47 -13.829 -1.571 9.006 367 HG2 LYS 47 1HG LYS 47 -14.470 -0.022 7.407 368 HG3 LYS 47 2HG LYS 47 -13.289 -0.601 6.230 369 HD2 LYS 47 1HD LYS 47 -15.581 -2.301 7.177 370 HD3 LYS 47 2HD LYS 47 -15.730 -1.196 5.809 371 HE2 LYS 47 1HE LYS 47 -13.536 -3.240 5.951 372 HE3 LYS 47 2HE LYS 47 -15.134 -3.646 5.327 373 HZ1 LYS 47 3HZ LYS 47 -13.034 -2.422 3.973 374 HZ2 LYS 47 1HZ LYS 47 -14.254 -1.260 4.128 375 HZ3 LYS 47 2HZ LYS 47 -14.590 -2.747 3.396 376 H ALA 48 H ALA 48 -10.843 -2.968 9.608 377 HA ALA 48 HA ALA 48 -11.558 -2.461 12.259 378 HB1 ALA 48 3HB ALA 48 -9.386 -4.122 11.026 379 HB2 ALA 48 1HB ALA 48 -9.586 -4.011 12.775 380 HB3 ALA 48 2HB ALA 48 -10.893 -4.648 11.776 381 H LEU 49 H LEU 49 -8.657 -1.556 10.450 382 HA LEU 49 HA LEU 49 -7.082 -0.586 12.508 383 HB2 LEU 49 1HB LEU 49 -7.381 0.356 9.666 384 HB3 LEU 49 2HB LEU 49 -6.147 0.976 10.761 385 HG LEU 49 HG LEU 49 -6.401 -1.915 9.939 386 HD11 LEU 49 1HD1 LEU 49 -4.097 -1.036 8.832 387 HD12 LEU 49 2HD1 LEU 49 -5.115 0.391 8.651 388 HD13 LEU 49 3HD1 LEU 49 -5.632 -1.152 7.972 389 HD21 LEU 49 3HD2 LEU 49 -5.237 -1.977 11.920 390 HD22 LEU 49 1HD2 LEU 49 -4.536 -0.375 11.684 391 HD23 LEU 49 2HD2 LEU 49 -3.923 -1.750 10.765 392 H THR 50 H THR 50 -6.711 1.529 13.323 393 HA THR 50 HA THR 50 -9.165 3.124 13.470 394 HB THR 50 HB THR 50 -8.111 4.215 15.426 395 HG1 THR 50 1HG THR 50 -5.894 3.497 14.516 396 HG21 THR 50 3HG2 THR 50 -8.357 2.377 16.946 397 HG22 THR 50 1HG2 THR 50 -8.031 1.208 15.668 398 HG23 THR 50 2HG2 THR 50 -9.518 2.155 15.638 399 H LEU 51 H LEU 51 -8.847 5.528 13.659 400 HA LEU 51 HA LEU 51 -7.865 6.624 11.348 401 HB2 LEU 51 1HB LEU 51 -9.364 7.727 13.007 402 HB3 LEU 51 2HB LEU 51 -7.949 8.031 14.011 403 HG LEU 51 HG LEU 51 -8.928 9.885 12.422 404 HD11 LEU 51 1HD1 LEU 51 -6.495 9.428 13.701 405 HD12 LEU 51 2HD1 LEU 51 -7.110 10.965 13.094 406 HD13 LEU 51 3HD1 LEU 51 -6.069 9.969 12.078 407 HD21 LEU 51 3HD2 LEU 51 -8.032 9.947 10.248 408 HD22 LEU 51 1HD2 LEU 51 -8.677 8.316 10.438 409 HD23 LEU 51 2HD2 LEU 51 -6.941 8.599 10.570 410 H ALA 52 H ALA 52 -6.226 6.652 14.515 411 HA ALA 52 HA ALA 52 -3.872 7.890 13.757 412 HB1 ALA 52 3HB ALA 52 -2.896 7.023 15.729 413 HB2 ALA 52 1HB ALA 52 -4.607 7.260 16.088 414 HB3 ALA 52 2HB ALA 52 -3.992 5.641 15.751 415 H GLU 53 H GLU 53 -4.894 4.576 13.277 416 HA GLU 53 HA GLU 53 -2.317 3.609 12.488 417 HB2 GLU 53 1HB GLU 53 -5.108 2.499 12.286 418 HB3 GLU 53 2HB GLU 53 -3.730 1.668 11.578 419 HG2 GLU 53 1HG GLU 53 -3.659 2.481 14.447 420 HG3 GLU 53 2HG GLU 53 -4.548 1.040 13.958 421 H LYS 54 H LYS 54 -5.090 4.986 10.857 422 HA LYS 54 HA LYS 54 -4.061 4.373 8.221 423 HB2 LYS 54 1HB LYS 54 -6.362 6.194 8.929 424 HB3 LYS 54 2HB LYS 54 -6.043 5.430 7.378 425 HG2 LYS 54 1HG LYS 54 -6.553 3.267 8.266 426 HG3 LYS 54 2HG LYS 54 -6.679 3.919 9.901 427 HD2 LYS 54 1HD LYS 54 -8.703 4.951 9.474 428 HD3 LYS 54 2HD LYS 54 -8.420 5.015 7.733 429 HE2 LYS 54 1HE LYS 54 -9.072 2.835 7.411 430 HE3 LYS 54 2HE LYS 54 -8.658 2.356 9.057 431 HZ1 LYS 54 3HZ LYS 54 -11.120 2.565 8.409 432 HZ2 LYS 54 1HZ LYS 54 -10.877 4.233 8.564 433 HZ3 LYS 54 2HZ LYS 54 -10.619 3.214 9.889 434 H ARG 55 H ARG 55 -3.498 6.724 10.544 435 HA ARG 55 HA ARG 55 -3.256 9.090 9.108 436 HB2 ARG 55 1HB ARG 55 -2.849 8.433 11.674 437 HB3 ARG 55 2HB ARG 55 -1.174 8.500 11.143 438 HG2 ARG 55 1HG ARG 55 -1.591 10.640 11.937 439 HG3 ARG 55 2HG ARG 55 -1.775 10.803 10.190 440 HD2 ARG 55 1HD ARG 55 -4.291 10.244 10.756 441 HD3 ARG 55 2HD ARG 55 -3.832 10.873 12.339 442 HE ARG 55 HE ARG 55 -3.131 12.555 10.093 443 HH11 ARG 55 1HH1 ARG 55 -5.492 11.790 12.534 444 HH12 ARG 55 2HH1 ARG 55 -6.247 13.348 12.478 445 HH21 ARG 55 1HH2 ARG 55 -4.116 14.611 10.010 446 HH22 ARG 55 2HH2 ARG 55 -5.464 14.952 11.041 447 HA PRO 56 HA PRO 56 1.309 7.767 8.130 448 HB2 PRO 56 1HB PRO 56 1.863 5.118 8.351 449 HB3 PRO 56 2HB PRO 56 2.073 6.258 9.685 450 HG2 PRO 56 1HG PRO 56 -0.182 4.364 9.149 451 HG3 PRO 56 2HG PRO 56 0.632 4.728 10.681 452 HD2 PRO 56 1HD PRO 56 -1.759 5.806 10.010 453 HD3 PRO 56 2HD PRO 56 -0.567 6.670 11.002 454 H PHE 57 H PHE 57 -1.355 5.595 7.401 455 HA PHE 57 HA PHE 57 -0.279 5.038 4.745 456 HB2 PHE 57 1HB PHE 57 -2.866 4.034 5.939 457 HB3 PHE 57 2HB PHE 57 -2.010 3.388 4.542 458 HD1 PHE 57 1HD PHE 57 0.513 2.693 5.094 459 HD2 PHE 57 2HD PHE 57 -2.673 2.888 7.909 460 HE1 PHE 57 1HE PHE 57 1.714 1.120 6.556 461 HE2 PHE 57 2HE PHE 57 -1.478 1.316 9.376 462 HZ PHE 57 HZ PHE 57 0.719 0.431 8.701 463 H VAL 58 H VAL 58 -2.233 7.309 6.233 464 HA VAL 58 HA VAL 58 -3.906 7.780 3.884 465 HB VAL 58 HB VAL 58 -3.918 8.888 6.676 466 HG11 VAL 58 1HG1 VAL 58 -5.773 10.373 5.972 467 HG12 VAL 58 2HG1 VAL 58 -4.220 10.815 5.260 468 HG13 VAL 58 3HG1 VAL 58 -5.423 9.961 4.294 469 HG21 VAL 58 3HG2 VAL 58 -6.411 8.029 5.422 470 HG22 VAL 58 1HG2 VAL 58 -5.194 6.756 5.520 471 HG23 VAL 58 2HG2 VAL 58 -5.717 7.591 6.983 472 H GLU 59 H GLU 59 -1.256 9.212 5.688 473 HA GLU 59 HA GLU 59 -1.262 11.648 4.146 474 HB2 GLU 59 1HB GLU 59 0.844 10.570 6.029 475 HB3 GLU 59 2HB GLU 59 0.754 12.210 5.404 476 HG2 GLU 59 1HG GLU 59 -1.591 11.154 6.883 477 HG3 GLU 59 2HG GLU 59 -0.145 11.573 7.800 478 H GLU 60 H GLU 60 -0.153 8.514 3.645 479 HA GLU 60 HA GLU 60 2.092 9.298 1.961 480 HB2 GLU 60 1HB GLU 60 2.623 7.377 3.172 481 HB3 GLU 60 2HB GLU 60 1.022 6.683 2.961 482 HG2 GLU 60 1HG GLU 60 1.482 5.914 0.843 483 HG3 GLU 60 2HG GLU 60 2.767 7.091 0.580 484 H ALA 61 H ALA 61 -0.955 7.485 1.621 485 HA ALA 61 HA ALA 61 -0.867 7.134 -1.146 486 HB1 ALA 61 3HB ALA 61 -2.657 6.543 0.909 487 HB2 ALA 61 1HB ALA 61 -3.571 7.530 -0.232 488 HB3 ALA 61 2HB ALA 61 -2.774 6.055 -0.781 489 H GLU 62 H GLU 62 -1.856 9.884 0.782 490 HA GLU 62 HA GLU 62 -3.272 11.325 -1.152 491 HB2 GLU 62 1HB GLU 62 -3.388 12.068 1.100 492 HB3 GLU 62 2HB GLU 62 -1.640 12.202 1.223 493 HG2 GLU 62 1HG GLU 62 -1.570 14.197 0.114 494 HG3 GLU 62 2HG GLU 62 -3.051 13.875 -0.786 495 H ARG 63 H ARG 63 0.187 11.152 -0.468 496 HA ARG 63 HA ARG 63 0.924 13.181 -2.330 497 HB2 ARG 63 1HB ARG 63 2.624 10.954 -1.194 498 HB3 ARG 63 2HB ARG 63 3.208 12.427 -1.957 499 HG2 ARG 63 1HG ARG 63 2.527 13.763 -0.157 500 HG3 ARG 63 2HG ARG 63 1.497 12.492 0.504 501 HD2 ARG 63 1HD ARG 63 3.358 12.449 1.896 502 HD3 ARG 63 2HD ARG 63 3.680 11.150 0.749 503 HE ARG 63 HE ARG 63 4.854 13.412 -0.307 504 HH11 ARG 63 1HH1 ARG 63 5.147 11.509 2.594 505 HH12 ARG 63 2HH1 ARG 63 6.827 11.869 2.816 506 HH21 ARG 63 1HH2 ARG 63 7.066 13.894 -0.025 507 HH22 ARG 63 2HH2 ARG 63 7.917 13.226 1.326 508 H LEU 64 H LEU 64 0.965 9.630 -2.429 509 HA LEU 64 HA LEU 64 2.053 9.352 -4.994 510 HB2 LEU 64 1HB LEU 64 0.022 7.488 -3.800 511 HB3 LEU 64 2HB LEU 64 1.320 7.105 -4.929 512 HG LEU 64 HG LEU 64 1.724 7.930 -2.055 513 HD11 LEU 64 1HD1 LEU 64 2.589 5.362 -2.260 514 HD12 LEU 64 2HD1 LEU 64 1.172 5.340 -3.310 515 HD13 LEU 64 3HD1 LEU 64 1.016 5.847 -1.628 516 HD21 LEU 64 3HD2 LEU 64 3.984 6.675 -2.827 517 HD22 LEU 64 1HD2 LEU 64 3.756 8.422 -2.890 518 HD23 LEU 64 2HD2 LEU 64 3.515 7.449 -4.341 519 H ARG 65 H ARG 65 -1.154 10.156 -3.934 520 HA ARG 65 HA ARG 65 -2.475 9.553 -6.395 521 HB2 ARG 65 1HB ARG 65 -4.036 9.621 -4.734 522 HB3 ARG 65 2HB ARG 65 -3.184 10.871 -3.837 523 HG2 ARG 65 1HG ARG 65 -3.943 12.503 -5.587 524 HG3 ARG 65 2HG ARG 65 -4.966 11.219 -6.232 525 HD2 ARG 65 1HD ARG 65 -5.146 11.774 -3.326 526 HD3 ARG 65 2HD ARG 65 -5.826 12.977 -4.420 527 HE ARG 65 HE ARG 65 -7.487 11.485 -5.001 528 HH11 ARG 65 1HH1 ARG 65 -5.058 9.893 -3.081 529 HH12 ARG 65 2HH1 ARG 65 -6.006 8.464 -2.831 530 HH21 ARG 65 1HH2 ARG 65 -8.745 9.609 -4.678 531 HH22 ARG 65 2HH2 ARG 65 -8.102 8.303 -3.741 532 H VAL 66 H VAL 66 -1.625 12.652 -4.840 533 HA VAL 66 HA VAL 66 -2.301 14.303 -6.985 534 HB VAL 66 HB VAL 66 -0.745 15.966 -5.971 535 HG11 VAL 66 1HG1 VAL 66 -1.915 15.914 -3.672 536 HG12 VAL 66 2HG1 VAL 66 -2.907 16.079 -5.122 537 HG13 VAL 66 3HG1 VAL 66 -2.776 14.516 -4.315 538 HG21 VAL 66 3HG2 VAL 66 -0.174 13.775 -3.977 539 HG22 VAL 66 1HG2 VAL 66 0.952 14.341 -5.210 540 HG23 VAL 66 2HG2 VAL 66 0.431 15.431 -3.926 541 H GLN 67 H GLN 67 0.458 12.279 -6.486 542 HA GLN 67 HA GLN 67 2.251 13.564 -8.262 543 HB2 GLN 67 1HB GLN 67 2.075 10.824 -7.064 544 HB3 GLN 67 2HB GLN 67 3.244 11.145 -8.338 545 HG2 GLN 67 1HG GLN 67 4.328 12.813 -7.023 546 HG3 GLN 67 2HG GLN 67 3.062 12.743 -5.798 547 HE21 GLN 67 1HE2 GLN 67 3.434 11.518 -4.095 548 HE22 GLN 67 2HE2 GLN 67 4.605 10.253 -3.990 549 H HIS 68 H HIS 68 -0.465 11.493 -8.737 550 HA HIS 68 HA HIS 68 0.292 10.767 -11.442 551 HB2 HIS 68 1HB HIS 68 -0.937 9.175 -9.988 552 HB3 HIS 68 2HB HIS 68 -2.308 10.280 -9.974 553 HD1 HIS 68 1HD HIS 68 -0.286 8.246 -12.461 554 HD2 HIS 68 2HD HIS 68 -4.073 9.891 -12.003 555 HE1 HIS 68 1HE HIS 68 -1.621 7.417 -14.424 556 HE2 HIS 68 2HE HIS 68 -3.883 8.494 -14.172 557 H MET 69 H MET 69 -1.925 12.956 -9.805 558 HA MET 69 HA MET 69 -3.249 13.803 -12.195 559 HB2 MET 69 1HB MET 69 -3.115 15.170 -9.502 560 HB3 MET 69 2HB MET 69 -4.264 15.520 -10.787 561 HG2 MET 69 1HG MET 69 -4.796 12.943 -10.505 562 HG3 MET 69 2HG MET 69 -4.167 13.249 -8.887 563 HE1 MET 69 3HE MET 69 -6.309 12.854 -7.463 564 HE2 MET 69 1HE MET 69 -5.402 14.305 -7.035 565 HE3 MET 69 2HE MET 69 -7.165 14.350 -7.089 566 H GLN 70 H GLN 70 -0.530 14.963 -10.288 567 HA GLN 70 HA GLN 70 -0.232 17.468 -11.540 568 HB2 GLN 70 1HB GLN 70 1.939 17.552 -10.530 569 HB3 GLN 70 2HB GLN 70 0.848 16.773 -9.392 570 HG2 GLN 70 1HG GLN 70 1.714 14.594 -10.020 571 HG3 GLN 70 2HG GLN 70 2.778 15.346 -11.208 572 HE21 GLN 70 1HE2 GLN 70 4.784 15.580 -10.566 573 HE22 GLN 70 2HE2 GLN 70 5.322 15.789 -8.938 574 H ASP 71 H ASP 71 0.926 14.255 -12.355 575 HA ASP 71 HA ASP 71 2.781 14.995 -14.340 576 HB2 ASP 71 1HB ASP 71 1.291 12.497 -13.659 577 HB3 ASP 71 2HB ASP 71 2.101 12.590 -15.220 578 H HIS 72 H HIS 72 -0.692 14.601 -14.386 579 HA HIS 72 HA HIS 72 -0.760 15.778 -17.054 580 HB2 HIS 72 1HB HIS 72 -2.652 14.043 -17.564 581 HB3 HIS 72 2HB HIS 72 -0.965 13.591 -17.796 582 HD1 HIS 72 1HD HIS 72 -3.991 12.714 -15.896 583 HD2 HIS 72 2HD HIS 72 0.072 11.862 -15.746 584 HE1 HIS 72 1HE HIS 72 -3.779 10.715 -14.385 585 HE2 HIS 72 2HE HIS 72 -1.304 10.270 -14.242 586 HA PRO 73 HA PRO 73 -3.877 18.070 -14.850 587 HB2 PRO 73 1HB PRO 73 -4.508 19.729 -16.904 588 HB3 PRO 73 2HB PRO 73 -3.050 19.925 -15.924 589 HG2 PRO 73 1HG PRO 73 -3.364 18.665 -18.621 590 HG3 PRO 73 2HG PRO 73 -2.097 19.762 -18.039 591 HD2 PRO 73 1HD PRO 73 -1.742 17.082 -18.206 592 HD3 PRO 73 2HD PRO 73 -0.958 18.074 -16.959 593 H ASN 74 H ASN 74 -4.275 15.810 -17.241 594 HA ASN 74 HA ASN 74 -6.647 16.090 -18.477 595 HB2 ASN 74 1HB ASN 74 -5.321 13.742 -17.213 596 HB3 ASN 74 2HB ASN 74 -6.988 13.545 -17.746 597 HD21 ASN 74 1HD2 ASN 74 -4.014 15.057 -18.966 598 HD22 ASN 74 2HD2 ASN 74 -4.135 14.402 -20.560 599 H TYR 75 H TYR 75 -6.285 15.057 -15.094 600 HA TYR 75 HA TYR 75 -8.895 14.615 -14.403 601 HB2 TYR 75 1HB TYR 75 -8.284 15.070 -12.131 602 HB3 TYR 75 2HB TYR 75 -6.884 14.350 -12.919 603 HD1 TYR 75 2HD TYR 75 -4.947 15.778 -13.538 604 HD2 TYR 75 1HD TYR 75 -8.207 17.288 -11.258 605 HE1 TYR 75 2HE TYR 75 -3.565 17.687 -12.836 606 HE2 TYR 75 1HE TYR 75 -6.834 19.202 -10.551 607 HH TYR 75 HH TYR 75 -3.713 19.342 -10.596 608 H LYS 76 H LYS 76 -10.486 15.924 -13.310 609 HA LYS 76 HA LYS 76 -11.361 18.121 -14.652 610 HB2 LYS 76 1HB LYS 76 -12.638 18.717 -12.579 611 HB3 LYS 76 2HB LYS 76 -12.799 17.037 -13.075 612 HG2 LYS 76 1HG LYS 76 -10.774 16.739 -11.391 613 HG3 LYS 76 2HG LYS 76 -11.480 18.197 -10.690 614 HD2 LYS 76 1HD LYS 76 -13.395 17.127 -10.052 615 HD3 LYS 76 2HD LYS 76 -13.314 15.963 -11.377 616 HE2 LYS 76 1HE LYS 76 -11.632 14.699 -10.266 617 HE3 LYS 76 2HE LYS 76 -11.404 15.954 -9.049 618 HZ1 LYS 76 3HZ LYS 76 -13.786 14.218 -9.395 619 HZ2 LYS 76 1HZ LYS 76 -13.722 15.532 -8.331 620 HZ3 LYS 76 2HZ LYS 76 -12.694 14.208 -8.102 621 H SER 77 H SER 77 -11.220 20.352 -14.446 622 HA SER 77 HA SER 77 -9.581 21.599 -12.457 623 HB2 SER 77 1HB SER 77 -7.932 20.595 -14.143 624 HB3 SER 77 2HB SER 77 -8.540 21.797 -15.281 625 HG SER 77 HG SER 77 -7.523 23.323 -14.225 626 H GLY 78 H GLY 78 -9.354 23.983 -12.891 627 HA2 GLY 78 1HA GLY 78 -10.980 25.220 -14.875 628 HA3 GLY 78 2HA GLY 78 -11.816 25.163 -13.331 629 HA PRO 79 HA PRO 79 -9.846 28.938 -12.259 630 HB2 PRO 79 1HB PRO 79 -10.021 28.784 -9.554 631 HB3 PRO 79 2HB PRO 79 -11.415 29.115 -10.589 632 HG2 PRO 79 1HG PRO 79 -10.559 26.537 -9.332 633 HG3 PRO 79 2HG PRO 79 -12.185 27.232 -9.462 634 HD2 PRO 79 1HD PRO 79 -11.298 25.280 -11.116 635 HD3 PRO 79 2HD PRO 79 -12.449 26.526 -11.641 636 H SER 80 H SER 80 -7.800 29.605 -11.968 637 HA SER 80 HA SER 80 -5.896 27.700 -10.773 638 HB2 SER 80 1HB SER 80 -5.495 29.768 -12.942 639 HB3 SER 80 2HB SER 80 -4.171 28.895 -12.170 640 HG SER 80 HG SER 80 -5.643 26.982 -12.837 641 H SER 81 H SER 81 -6.694 31.136 -11.098 642 HA SER 81 HA SER 81 -4.799 31.879 -9.038 643 HB2 SER 81 1HB SER 81 -5.231 33.346 -11.005 644 HB3 SER 81 2HB SER 81 -6.880 33.586 -10.426 645 HG SER 81 HG SER 81 -4.519 34.683 -9.537 646 H GLY 82 H GLY 82 -5.226 31.993 -6.934 647 HA2 GLY 82 1HA GLY 82 -7.487 31.051 -5.706 648 HA3 GLY 82 2HA GLY 82 -6.387 32.199 -4.958 Start of MODEL 5 1 H1 GLY 1 H GLY 1 15.201 -14.111 -4.875 2 HA2 GLY 1 1HA GLY 1 15.052 -14.951 -7.031 3 HA3 GLY 1 2HA GLY 1 13.427 -14.291 -7.141 4 H SER 2 H SER 2 14.007 -13.655 -9.309 5 HA SER 2 HA SER 2 16.046 -11.643 -9.663 6 HB2 SER 2 1HB SER 2 15.186 -13.472 -11.356 7 HB3 SER 2 2HB SER 2 13.988 -12.241 -11.754 8 HG SER 2 HG SER 2 15.990 -10.831 -11.896 9 H SER 3 H SER 3 15.383 -9.921 -8.368 10 HA SER 3 HA SER 3 13.547 -8.111 -9.615 11 HB2 SER 3 1HB SER 3 12.049 -7.867 -7.644 12 HB3 SER 3 2HB SER 3 11.914 -9.451 -8.409 13 HG SER 3 HG SER 3 13.608 -10.024 -6.732 14 H GLY 4 H GLY 4 14.068 -6.040 -9.154 15 HA2 GLY 4 1HA GLY 4 16.087 -5.631 -7.037 16 HA3 GLY 4 2HA GLY 4 16.018 -4.705 -8.529 17 H SER 5 H SER 5 14.532 -3.033 -8.742 18 HA SER 5 HA SER 5 12.562 -2.474 -6.753 19 HB2 SER 5 1HB SER 5 15.227 -1.124 -6.608 20 HB3 SER 5 2HB SER 5 13.781 -0.191 -6.221 21 HG SER 5 HG SER 5 15.071 -1.831 -4.643 22 H SER 6 H SER 6 10.978 -1.491 -7.805 23 HA SER 6 HA SER 6 11.574 0.603 -9.738 24 HB2 SER 6 1HB SER 6 11.452 -1.659 -10.938 25 HB3 SER 6 2HB SER 6 9.733 -1.648 -10.543 26 HG SER 6 HG SER 6 10.631 -0.653 -12.644 27 H GLY 7 H GLY 7 10.166 2.234 -9.575 28 HA2 GLY 7 1HA GLY 7 8.227 2.358 -7.582 29 HA3 GLY 7 2HA GLY 7 8.323 3.453 -8.954 30 H ILE 8 H ILE 8 5.967 3.469 -8.767 31 HA ILE 8 HA ILE 8 4.753 1.108 -10.048 32 HB ILE 8 HB ILE 8 3.343 3.104 -8.276 33 HG12 ILE 8 1HG1 ILE 8 3.833 0.262 -7.485 34 HG13 ILE 8 2HG1 ILE 8 5.132 1.433 -7.283 35 HG21 ILE 8 1HG2 ILE 8 2.494 0.614 -9.708 36 HG22 ILE 8 2HG2 ILE 8 1.645 1.165 -8.265 37 HG23 ILE 8 3HG2 ILE 8 1.730 2.203 -9.688 38 HD11 ILE 8 3HD1 ILE 8 2.755 2.567 -6.236 39 HD12 ILE 8 1HD1 ILE 8 2.923 0.933 -5.593 40 HD13 ILE 8 2HD1 ILE 8 4.228 2.101 -5.385 41 H ARG 9 H ARG 9 2.978 1.521 -11.512 42 HA ARG 9 HA ARG 9 3.507 3.804 -13.194 43 HB2 ARG 9 1HB ARG 9 1.322 1.752 -13.540 44 HB3 ARG 9 2HB ARG 9 2.035 2.782 -14.775 45 HG2 ARG 9 1HG ARG 9 3.788 0.874 -13.311 46 HG3 ARG 9 2HG ARG 9 2.706 0.261 -14.564 47 HD2 ARG 9 1HD ARG 9 4.628 0.709 -15.764 48 HD3 ARG 9 2HD ARG 9 3.696 2.188 -15.995 49 HE ARG 9 HE ARG 9 5.213 2.706 -13.800 50 HH11 ARG 9 1HH1 ARG 9 5.905 1.631 -17.038 51 HH12 ARG 9 2HH1 ARG 9 7.471 2.370 -17.088 52 HH21 ARG 9 1HH2 ARG 9 7.274 3.684 -13.854 53 HH22 ARG 9 2HH2 ARG 9 8.249 3.537 -15.277 54 H ARG 10 H ARG 10 0.715 2.571 -11.367 55 HA ARG 10 HA ARG 10 -0.518 5.234 -11.601 56 HB2 ARG 10 1HB ARG 10 -1.651 2.475 -11.392 57 HB3 ARG 10 2HB ARG 10 -2.582 3.827 -10.760 58 HG2 ARG 10 1HG ARG 10 -3.334 3.466 -12.964 59 HG3 ARG 10 2HG ARG 10 -2.325 4.912 -13.017 60 HD2 ARG 10 1HD ARG 10 -1.555 3.748 -14.849 61 HD3 ARG 10 2HD ARG 10 -0.427 3.223 -13.601 62 HE ARG 10 HE ARG 10 -2.382 1.356 -13.494 63 HH11 ARG 10 1HH1 ARG 10 -0.443 2.650 -16.080 64 HH12 ARG 10 2HH1 ARG 10 -0.466 1.185 -17.005 65 HH21 ARG 10 1HH2 ARG 10 -2.419 -0.578 -14.703 66 HH22 ARG 10 2HH2 ARG 10 -1.591 -0.650 -16.221 67 HA PRO 11 HA PRO 11 -0.136 5.953 -7.289 68 HB2 PRO 11 1HB PRO 11 -2.432 7.299 -6.755 69 HB3 PRO 11 2HB PRO 11 -1.091 8.009 -7.661 70 HG2 PRO 11 1HG PRO 11 -3.630 6.791 -8.678 71 HG3 PRO 11 2HG PRO 11 -2.809 8.271 -9.207 72 HD2 PRO 11 1HD PRO 11 -2.609 5.933 -10.557 73 HD3 PRO 11 2HD PRO 11 -1.288 7.117 -10.497 74 H MET 12 H MET 12 -1.441 5.797 -5.172 75 HA MET 12 HA MET 12 -3.394 3.620 -5.225 76 HB2 MET 12 1HB MET 12 -1.273 3.472 -3.139 77 HB3 MET 12 2HB MET 12 -2.219 2.182 -3.870 78 HG2 MET 12 1HG MET 12 -0.874 2.699 -6.001 79 HG3 MET 12 2HG MET 12 0.224 3.550 -4.917 80 HE1 MET 12 3HE MET 12 2.133 1.572 -3.115 81 HE2 MET 12 1HE MET 12 0.770 2.619 -2.720 82 HE3 MET 12 2HE MET 12 0.743 0.921 -2.246 83 H ASN 13 H ASN 13 -4.646 3.438 -3.272 84 HA ASN 13 HA ASN 13 -4.908 6.018 -1.919 85 HB2 ASN 13 1HB ASN 13 -7.058 4.737 -1.044 86 HB3 ASN 13 2HB ASN 13 -7.020 5.472 -2.644 87 HD21 ASN 13 1HD2 ASN 13 -6.920 2.500 -0.847 88 HD22 ASN 13 2HD2 ASN 13 -7.215 1.447 -2.184 89 H ALA 14 H ALA 14 -5.854 5.688 0.436 90 HA ALA 14 HA ALA 14 -3.771 4.849 2.066 91 HB1 ALA 14 3HB ALA 14 -5.415 6.395 2.879 92 HB2 ALA 14 1HB ALA 14 -6.693 5.190 2.720 93 HB3 ALA 14 2HB ALA 14 -5.421 4.973 3.922 94 H PHE 15 H PHE 15 -6.684 3.111 1.063 95 HA PHE 15 HA PHE 15 -6.246 0.835 2.696 96 HB2 PHE 15 1HB PHE 15 -8.449 1.063 1.944 97 HB3 PHE 15 2HB PHE 15 -7.951 1.393 0.288 98 HD1 PHE 15 2HD PHE 15 -7.075 -0.477 -1.118 99 HD2 PHE 15 1HD PHE 15 -8.889 -1.127 2.677 100 HE1 PHE 15 2HE PHE 15 -7.424 -2.843 -1.694 101 HE2 PHE 15 1HE PHE 15 -9.241 -3.494 2.108 102 HZ PHE 15 HZ PHE 15 -8.509 -4.355 -0.081 103 H MET 16 H MET 16 -5.349 1.659 -0.616 104 HA MET 16 HA MET 16 -4.329 -0.886 -1.319 105 HB2 MET 16 1HB MET 16 -3.969 1.887 -2.412 106 HB3 MET 16 2HB MET 16 -3.016 0.550 -3.042 107 HG2 MET 16 1HG MET 16 -5.956 0.203 -2.872 108 HG3 MET 16 2HG MET 16 -5.314 1.268 -4.119 109 HE1 MET 16 3HE MET 16 -2.546 -0.917 -5.491 110 HE2 MET 16 1HE MET 16 -3.794 -0.338 -6.595 111 HE3 MET 16 2HE MET 16 -3.232 0.694 -5.280 112 H VAL 17 H VAL 17 -2.644 2.114 -0.374 113 HA VAL 17 HA VAL 17 -0.053 1.215 -0.351 114 HB VAL 17 HB VAL 17 -1.322 3.099 1.642 115 HG11 VAL 17 1HG1 VAL 17 1.580 3.005 0.871 116 HG12 VAL 17 2HG1 VAL 17 0.826 3.850 2.225 117 HG13 VAL 17 3HG1 VAL 17 0.943 2.089 2.237 118 HG21 VAL 17 3HG2 VAL 17 -0.355 3.389 -1.144 119 HG22 VAL 17 1HG2 VAL 17 -1.664 4.220 -0.305 120 HG23 VAL 17 2HG2 VAL 17 0.009 4.701 -0.023 121 H TRP 18 H TRP 18 -2.135 1.323 2.549 122 HA TRP 18 HA TRP 18 -0.484 -0.079 4.259 123 HB2 TRP 18 1HB TRP 18 -2.297 0.862 5.338 124 HB3 TRP 18 2HB TRP 18 -3.440 0.324 4.110 125 HD1 TRP 18 HD TRP 18 -1.706 -0.840 7.304 126 HE1 TRP 18 1HE TRP 18 -2.866 -2.978 8.144 127 HE3 TRP 18 3HE TRP 18 -4.770 -1.725 3.308 128 HZ2 TRP 18 2HZ TRP 18 -4.821 -4.800 7.233 129 HZ3 TRP 18 3HZ TRP 18 -6.253 -3.687 3.371 130 HH2 TRP 18 HH TRP 18 -6.276 -5.192 5.294 131 H ALA 19 H ALA 19 -2.588 -1.284 1.743 132 HA ALA 19 HA ALA 19 -2.513 -4.019 2.557 133 HB1 ALA 19 3HB ALA 19 -3.372 -4.437 0.234 134 HB2 ALA 19 1HB ALA 19 -4.340 -3.326 1.205 135 HB3 ALA 19 2HB ALA 19 -3.262 -2.699 -0.043 136 H LYS 20 H LYS 20 -0.682 -2.064 0.247 137 HA LYS 20 HA LYS 20 0.745 -3.770 -1.219 138 HB2 LYS 20 1HB LYS 20 2.395 -2.170 -1.415 139 HB3 LYS 20 2HB LYS 20 1.073 -1.205 -0.771 140 HG2 LYS 20 1HG LYS 20 2.177 -1.887 1.532 141 HG3 LYS 20 2HG LYS 20 3.608 -2.056 0.512 142 HD2 LYS 20 1HD LYS 20 1.914 0.406 0.341 143 HD3 LYS 20 2HD LYS 20 3.099 0.231 1.637 144 HE2 LYS 20 1HE LYS 20 3.734 -0.042 -1.297 145 HE3 LYS 20 2HE LYS 20 3.945 1.443 -0.372 146 HZ1 LYS 20 3HZ LYS 20 5.504 -1.020 -0.313 147 HZ2 LYS 20 1HZ LYS 20 5.289 -0.223 1.164 148 HZ3 LYS 20 2HZ LYS 20 6.009 0.585 -0.136 149 H ASP 21 H ASP 21 1.115 -3.355 2.247 150 HA ASP 21 HA ASP 21 3.307 -5.277 2.328 151 HB2 ASP 21 1HB ASP 21 3.284 -3.164 3.729 152 HB3 ASP 21 2HB ASP 21 1.988 -3.899 4.669 153 H GLU 22 H GLU 22 -0.014 -4.918 3.517 154 HA GLU 22 HA GLU 22 -0.170 -7.368 4.879 155 HB2 GLU 22 1HB GLU 22 -2.367 -5.785 3.533 156 HB3 GLU 22 2HB GLU 22 -2.622 -7.097 4.675 157 HG2 GLU 22 1HG GLU 22 -1.739 -4.315 5.144 158 HG3 GLU 22 2HG GLU 22 -2.816 -5.341 6.090 159 H ARG 23 H ARG 23 -1.456 -6.541 1.653 160 HA ARG 23 HA ARG 23 -2.396 -8.926 0.804 161 HB2 ARG 23 1HB ARG 23 -2.381 -6.852 -0.548 162 HB3 ARG 23 2HB ARG 23 -0.668 -7.091 -0.866 163 HG2 ARG 23 1HG ARG 23 -1.544 -9.437 -1.737 164 HG3 ARG 23 2HG ARG 23 -3.023 -8.503 -1.974 165 HD2 ARG 23 1HD ARG 23 -1.961 -8.203 -3.996 166 HD3 ARG 23 2HD ARG 23 -1.422 -6.783 -3.100 167 HE ARG 23 HE ARG 23 0.717 -7.635 -3.077 168 HH11 ARG 23 1HH1 ARG 23 -1.514 -10.059 -4.202 169 HH12 ARG 23 2HH1 ARG 23 -0.271 -11.143 -4.732 170 HH21 ARG 23 1HH2 ARG 23 2.362 -9.055 -3.770 171 HH22 ARG 23 2HH2 ARG 23 1.933 -10.572 -4.485 172 H LYS 24 H LYS 24 1.017 -7.935 0.642 173 HA LYS 24 HA LYS 24 2.211 -10.001 -0.610 174 HB2 LYS 24 1HB LYS 24 3.184 -8.823 1.999 175 HB3 LYS 24 2HB LYS 24 4.173 -9.662 0.811 176 HG2 LYS 24 1HG LYS 24 2.636 -7.296 -0.100 177 HG3 LYS 24 2HG LYS 24 4.044 -7.024 0.929 178 HD2 LYS 24 1HD LYS 24 5.513 -7.780 -0.649 179 HD3 LYS 24 2HD LYS 24 4.342 -8.890 -1.365 180 HE2 LYS 24 1HE LYS 24 3.172 -7.008 -2.385 181 HE3 LYS 24 2HE LYS 24 4.311 -5.885 -1.644 182 HZ1 LYS 24 3HZ LYS 24 5.737 -7.843 -3.075 183 HZ2 LYS 24 1HZ LYS 24 5.678 -6.173 -3.342 184 HZ3 LYS 24 2HZ LYS 24 4.550 -7.189 -4.088 185 H ARG 25 H ARG 25 1.106 -10.041 2.759 186 HA ARG 25 HA ARG 25 2.002 -12.689 3.285 187 HB2 ARG 25 1HB ARG 25 1.123 -12.413 5.390 188 HB3 ARG 25 2HB ARG 25 1.312 -10.731 4.909 189 HG2 ARG 25 1HG ARG 25 -1.159 -11.086 4.033 190 HG3 ARG 25 2HG ARG 25 -1.151 -12.338 5.277 191 HD2 ARG 25 1HD ARG 25 -0.164 -10.463 6.782 192 HD3 ARG 25 2HD ARG 25 -0.832 -9.378 5.563 193 HE ARG 25 HE ARG 25 -2.944 -9.869 6.320 194 HH11 ARG 25 1HH1 ARG 25 -0.665 -12.128 7.671 195 HH12 ARG 25 2HH1 ARG 25 -1.805 -12.813 8.782 196 HH21 ARG 25 1HH2 ARG 25 -4.453 -10.762 7.779 197 HH22 ARG 25 2HH2 ARG 25 -3.959 -12.035 8.842 198 H LEU 26 H LEU 26 -0.962 -11.305 2.036 199 HA LEU 26 HA LEU 26 -2.585 -13.608 2.309 200 HB2 LEU 26 1HB LEU 26 -2.822 -11.389 0.285 201 HB3 LEU 26 2HB LEU 26 -4.092 -12.516 0.759 202 HG LEU 26 HG LEU 26 -2.926 -10.247 2.351 203 HD11 LEU 26 1HD1 LEU 26 -5.678 -10.945 1.354 204 HD12 LEU 26 2HD1 LEU 26 -4.681 -9.563 0.902 205 HD13 LEU 26 3HD1 LEU 26 -5.357 -9.668 2.527 206 HD21 LEU 26 3HD2 LEU 26 -3.081 -12.214 3.804 207 HD22 LEU 26 1HD2 LEU 26 -4.769 -12.422 3.337 208 HD23 LEU 26 2HD2 LEU 26 -4.273 -10.988 4.236 209 H ALA 27 H ALA 27 -0.662 -12.341 -0.392 210 HA ALA 27 HA ALA 27 -1.332 -14.237 -2.314 211 HB1 ALA 27 3HB ALA 27 -0.134 -12.547 -3.249 212 HB2 ALA 27 1HB ALA 27 0.969 -12.419 -1.878 213 HB3 ALA 27 2HB ALA 27 1.167 -13.721 -3.052 214 H GLN 28 H GLN 28 1.491 -14.258 -0.131 215 HA GLN 28 HA GLN 28 2.434 -16.790 -0.872 216 HB2 GLN 28 1HB GLN 28 3.694 -16.731 1.253 217 HB3 GLN 28 2HB GLN 28 3.831 -15.230 0.348 218 HG2 GLN 28 1HG GLN 28 2.585 -14.040 1.861 219 HG3 GLN 28 2HG GLN 28 1.733 -15.468 2.445 220 HE21 GLN 28 1HE2 GLN 28 2.309 -14.385 4.519 221 HE22 GLN 28 2HE2 GLN 28 3.825 -14.797 5.238 222 H GLN 29 H GLN 29 0.049 -15.798 1.510 223 HA GLN 29 HA GLN 29 -0.199 -18.356 2.745 224 HB2 GLN 29 1HB GLN 29 -1.664 -15.772 2.851 225 HB3 GLN 29 2HB GLN 29 -2.529 -17.209 3.379 226 HG2 GLN 29 1HG GLN 29 -0.367 -17.620 4.792 227 HG3 GLN 29 2HG GLN 29 -0.145 -15.886 4.568 228 HE21 GLN 29 1HE2 GLN 29 -0.690 -14.953 6.410 229 HE22 GLN 29 2HE2 GLN 29 -2.141 -15.243 7.300 230 H ASN 30 H ASN 30 -1.758 -16.747 0.049 231 HA ASN 30 HA ASN 30 -3.169 -19.259 -0.547 232 HB2 ASN 30 1HB ASN 30 -4.286 -16.467 -0.897 233 HB3 ASN 30 2HB ASN 30 -5.082 -17.957 -1.396 234 HD21 ASN 30 1HD2 ASN 30 -4.911 -15.681 0.967 235 HD22 ASN 30 2HD2 ASN 30 -5.586 -16.578 2.281 236 HA PRO 31 HA PRO 31 -0.533 -18.079 -4.134 237 HB2 PRO 31 1HB PRO 31 0.146 -20.636 -4.744 238 HB3 PRO 31 2HB PRO 31 1.010 -19.674 -3.538 239 HG2 PRO 31 1HG PRO 31 -1.103 -21.757 -3.141 240 HG3 PRO 31 2HG PRO 31 0.402 -21.504 -2.238 241 HD2 PRO 31 1HD PRO 31 -2.005 -20.670 -1.320 242 HD3 PRO 31 2HD PRO 31 -0.496 -19.801 -0.971 243 H ASP 32 H ASP 32 -3.416 -19.753 -3.647 244 HA ASP 32 HA ASP 32 -3.812 -20.179 -6.531 245 HB2 ASP 32 1HB ASP 32 -4.877 -21.510 -4.093 246 HB3 ASP 32 2HB ASP 32 -5.956 -21.388 -5.480 247 H LEU 33 H LEU 33 -4.730 -18.243 -3.867 248 HA LEU 33 HA LEU 33 -7.240 -17.373 -5.016 249 HB2 LEU 33 1HB LEU 33 -5.669 -16.490 -2.606 250 HB3 LEU 33 2HB LEU 33 -7.178 -15.729 -3.107 251 HG LEU 33 HG LEU 33 -6.805 -18.572 -2.169 252 HD11 LEU 33 1HD1 LEU 33 -8.020 -17.941 -0.252 253 HD12 LEU 33 2HD1 LEU 33 -8.480 -16.392 -0.955 254 HD13 LEU 33 3HD1 LEU 33 -6.806 -16.683 -0.483 255 HD21 LEU 33 3HD2 LEU 33 -8.845 -17.390 -3.834 256 HD22 LEU 33 1HD2 LEU 33 -9.520 -17.966 -2.310 257 HD23 LEU 33 2HD2 LEU 33 -8.621 -19.072 -3.349 258 H HIS 34 H HIS 34 -7.679 -15.171 -5.611 259 HA HIS 34 HA HIS 34 -5.296 -13.751 -6.607 260 HB2 HIS 34 1HB HIS 34 -6.817 -12.863 -8.404 261 HB3 HIS 34 2HB HIS 34 -6.504 -14.594 -8.494 262 HD1 HIS 34 1HD HIS 34 -9.212 -12.132 -8.207 263 HD2 HIS 34 2HD HIS 34 -8.731 -16.220 -7.640 264 HE1 HIS 34 1HE HIS 34 -11.540 -13.080 -8.140 265 HE2 HIS 34 2HE HIS 34 -11.226 -15.542 -7.711 266 H ASN 35 H ASN 35 -5.830 -11.362 -7.065 267 HA ASN 35 HA ASN 35 -6.077 -9.892 -4.864 268 HB2 ASN 35 1HB ASN 35 -7.356 -9.186 -7.515 269 HB3 ASN 35 2HB ASN 35 -7.001 -8.038 -6.227 270 HD21 ASN 35 1HD2 ASN 35 -5.942 -7.404 -8.516 271 HD22 ASN 35 2HD2 ASN 35 -4.251 -7.754 -8.585 272 H ALA 36 H ALA 36 -8.977 -10.217 -6.910 273 HA ALA 36 HA ALA 36 -10.920 -9.280 -5.350 274 HB1 ALA 36 3HB ALA 36 -11.479 -11.974 -6.479 275 HB2 ALA 36 1HB ALA 36 -12.429 -10.490 -6.565 276 HB3 ALA 36 2HB ALA 36 -11.000 -10.683 -7.581 277 H GLU 37 H GLU 37 -9.350 -12.409 -4.865 278 HA GLU 37 HA GLU 37 -11.018 -13.120 -2.638 279 HB2 GLU 37 1HB GLU 37 -8.463 -14.294 -3.734 280 HB3 GLU 37 2HB GLU 37 -9.304 -14.956 -2.340 281 HG2 GLU 37 1HG GLU 37 -10.863 -14.550 -4.827 282 HG3 GLU 37 2HG GLU 37 -9.694 -15.869 -4.788 283 H LEU 38 H LEU 38 -7.731 -11.875 -3.056 284 HA LEU 38 HA LEU 38 -6.945 -11.957 -0.368 285 HB2 LEU 38 1HB LEU 38 -6.072 -9.823 -2.287 286 HB3 LEU 38 2HB LEU 38 -5.158 -10.558 -0.972 287 HG LEU 38 HG LEU 38 -5.880 -11.849 -3.601 288 HD11 LEU 38 1HD1 LEU 38 -3.942 -10.062 -3.233 289 HD12 LEU 38 2HD1 LEU 38 -3.761 -11.453 -4.302 290 HD13 LEU 38 3HD1 LEU 38 -3.091 -11.501 -2.671 291 HD21 LEU 38 3HD2 LEU 38 -4.512 -12.933 -1.150 292 HD22 LEU 38 1HD2 LEU 38 -4.357 -13.669 -2.746 293 HD23 LEU 38 2HD2 LEU 38 -5.939 -13.566 -1.973 294 H SER 39 H SER 39 -8.361 -9.289 -2.253 295 HA SER 39 HA SER 39 -8.407 -7.273 -0.438 296 HB2 SER 39 1HB SER 39 -9.522 -7.570 -2.851 297 HB3 SER 39 2HB SER 39 -10.976 -7.740 -1.868 298 HG SER 39 HG SER 39 -9.910 -5.709 -0.818 299 H LYS 40 H LYS 40 -10.956 -9.749 -0.724 300 HA LYS 40 HA LYS 40 -12.702 -9.119 1.194 301 HB2 LYS 40 1HB LYS 40 -11.466 -11.828 0.703 302 HB3 LYS 40 2HB LYS 40 -12.854 -11.586 1.756 303 HG2 LYS 40 1HG LYS 40 -13.019 -10.492 -0.993 304 HG3 LYS 40 2HG LYS 40 -13.102 -12.245 -0.799 305 HD2 LYS 40 1HD LYS 40 -14.973 -12.027 0.716 306 HD3 LYS 40 2HD LYS 40 -14.846 -10.267 0.670 307 HE2 LYS 40 1HE LYS 40 -15.177 -11.716 -1.904 308 HE3 LYS 40 2HE LYS 40 -16.576 -11.593 -0.838 309 HZ1 LYS 40 3HZ LYS 40 -16.584 -9.290 -0.986 310 HZ2 LYS 40 1HZ LYS 40 -16.216 -9.769 -2.567 311 HZ3 LYS 40 2HZ LYS 40 -14.990 -9.207 -1.547 312 H MET 41 H MET 41 -9.409 -10.149 1.765 313 HA MET 41 HA MET 41 -9.824 -10.177 4.654 314 HB2 MET 41 1HB MET 41 -7.261 -10.688 3.141 315 HB3 MET 41 2HB MET 41 -7.607 -11.090 4.818 316 HG2 MET 41 1HG MET 41 -9.230 -12.739 4.126 317 HG3 MET 41 2HG MET 41 -9.000 -12.292 2.438 318 HE1 MET 41 3HE MET 41 -6.453 -14.565 1.224 319 HE2 MET 41 1HE MET 41 -8.168 -14.854 1.518 320 HE3 MET 41 2HE MET 41 -7.625 -13.275 0.949 321 H LEU 42 H LEU 42 -8.158 -8.341 2.157 322 HA LEU 42 HA LEU 42 -6.668 -6.656 3.851 323 HB2 LEU 42 1HB LEU 42 -7.754 -6.142 1.086 324 HB3 LEU 42 2HB LEU 42 -6.545 -5.150 1.900 325 HG LEU 42 HG LEU 42 -6.192 -8.032 1.076 326 HD11 LEU 42 1HD1 LEU 42 -4.344 -6.590 -0.285 327 HD12 LEU 42 2HD1 LEU 42 -5.707 -5.473 -0.272 328 HD13 LEU 42 3HD1 LEU 42 -5.902 -7.093 -0.940 329 HD21 LEU 42 3HD2 LEU 42 -3.744 -7.351 1.576 330 HD22 LEU 42 1HD2 LEU 42 -4.805 -7.788 2.915 331 HD23 LEU 42 2HD2 LEU 42 -4.474 -6.090 2.570 332 H GLY 43 H GLY 43 -10.003 -6.629 2.854 333 HA2 GLY 43 1HA GLY 43 -10.511 -3.906 3.605 334 HA3 GLY 43 2HA GLY 43 -11.718 -5.130 3.238 335 H LYS 44 H LYS 44 -11.543 -7.004 5.044 336 HA LYS 44 HA LYS 44 -12.737 -6.023 7.321 337 HB2 LYS 44 1HB LYS 44 -12.424 -8.193 8.300 338 HB3 LYS 44 2HB LYS 44 -12.715 -8.410 6.579 339 HG2 LYS 44 1HG LYS 44 -10.408 -8.844 6.168 340 HG3 LYS 44 2HG LYS 44 -9.972 -8.386 7.815 341 HD2 LYS 44 1HD LYS 44 -11.233 -10.285 8.687 342 HD3 LYS 44 2HD LYS 44 -11.710 -10.733 7.048 343 HE2 LYS 44 1HE LYS 44 -9.101 -10.720 6.659 344 HE3 LYS 44 2HE LYS 44 -9.069 -10.982 8.402 345 HZ1 LYS 44 3HZ LYS 44 -9.207 -12.968 6.694 346 HZ2 LYS 44 1HZ LYS 44 -10.865 -12.658 6.824 347 HZ3 LYS 44 2HZ LYS 44 -9.966 -13.039 8.204 348 H SER 45 H SER 45 -9.317 -6.518 6.677 349 HA SER 45 HA SER 45 -8.511 -5.931 9.375 350 HB2 SER 45 1HB SER 45 -7.014 -6.321 6.788 351 HB3 SER 45 2HB SER 45 -6.195 -5.815 8.265 352 HG SER 45 HG SER 45 -6.781 -8.258 7.553 353 H TRP 46 H TRP 46 -8.909 -4.162 6.389 354 HA TRP 46 HA TRP 46 -7.477 -1.836 7.176 355 HB2 TRP 46 1HB TRP 46 -7.922 -2.320 4.823 356 HB3 TRP 46 2HB TRP 46 -9.656 -2.183 5.105 357 HD1 TRP 46 HD TRP 46 -10.622 0.075 4.420 358 HE1 TRP 46 1HE TRP 46 -9.724 2.473 4.162 359 HE3 TRP 46 3HE TRP 46 -5.821 -0.681 6.005 360 HZ2 TRP 46 2HZ TRP 46 -7.300 3.861 4.575 361 HZ3 TRP 46 3HZ TRP 46 -4.276 1.233 6.043 362 HH2 TRP 46 HH TRP 46 -5.002 3.457 5.342 363 H LYS 47 H LYS 47 -10.991 -2.167 6.660 364 HA LYS 47 HA LYS 47 -11.846 0.117 7.871 365 HB2 LYS 47 1HB LYS 47 -13.037 -2.581 7.513 366 HB3 LYS 47 2HB LYS 47 -13.842 -1.499 8.642 367 HG2 LYS 47 1HG LYS 47 -14.468 -0.028 7.004 368 HG3 LYS 47 2HG LYS 47 -13.134 -0.476 5.938 369 HD2 LYS 47 1HD LYS 47 -15.368 -2.381 6.585 370 HD3 LYS 47 2HD LYS 47 -15.480 -1.222 5.258 371 HE2 LYS 47 1HE LYS 47 -13.331 -2.173 4.378 372 HE3 LYS 47 2HE LYS 47 -13.460 -3.432 5.605 373 HZ1 LYS 47 3HZ LYS 47 -15.642 -4.017 4.639 374 HZ2 LYS 47 1HZ LYS 47 -14.357 -4.246 3.562 375 HZ3 LYS 47 2HZ LYS 47 -15.370 -2.903 3.396 376 H ALA 48 H ALA 48 -10.728 -2.810 9.425 377 HA ALA 48 HA ALA 48 -11.654 -2.277 12.032 378 HB1 ALA 48 3HB ALA 48 -9.179 -3.819 11.271 379 HB2 ALA 48 1HB ALA 48 -10.105 -3.957 12.766 380 HB3 ALA 48 2HB ALA 48 -10.815 -4.476 11.237 381 H LEU 49 H LEU 49 -8.699 -1.363 10.331 382 HA LEU 49 HA LEU 49 -7.256 -0.336 12.487 383 HB2 LEU 49 1HB LEU 49 -7.289 0.545 9.605 384 HB3 LEU 49 2HB LEU 49 -6.082 1.040 10.789 385 HG LEU 49 HG LEU 49 -6.541 -1.831 9.999 386 HD11 LEU 49 1HD1 LEU 49 -4.335 -1.425 8.737 387 HD12 LEU 49 2HD1 LEU 49 -4.793 0.277 8.785 388 HD13 LEU 49 3HD1 LEU 49 -5.843 -0.896 7.989 389 HD21 LEU 49 3HD2 LEU 49 -4.391 -0.380 11.526 390 HD22 LEU 49 1HD2 LEU 49 -4.195 -2.015 10.896 391 HD23 LEU 49 2HD2 LEU 49 -5.443 -1.677 12.095 392 H THR 50 H THR 50 -6.968 1.788 13.259 393 HA THR 50 HA THR 50 -9.380 3.439 13.030 394 HB THR 50 HB THR 50 -8.951 4.306 15.135 395 HG1 THR 50 1HG THR 50 -6.312 3.377 15.329 396 HG21 THR 50 3HG2 THR 50 -8.781 2.483 16.543 397 HG22 THR 50 1HG2 THR 50 -7.504 1.730 15.589 398 HG23 THR 50 2HG2 THR 50 -9.170 1.699 15.012 399 H LEU 51 H LEU 51 -9.013 5.844 13.187 400 HA LEU 51 HA LEU 51 -7.762 6.852 10.987 401 HB2 LEU 51 1HB LEU 51 -9.309 8.151 12.313 402 HB3 LEU 51 2HB LEU 51 -8.164 8.203 13.651 403 HG LEU 51 HG LEU 51 -8.441 10.297 12.193 404 HD11 LEU 51 1HD1 LEU 51 -5.598 9.397 12.382 405 HD12 LEU 51 2HD1 LEU 51 -6.555 9.636 13.843 406 HD13 LEU 51 3HD1 LEU 51 -6.300 10.978 12.727 407 HD21 LEU 51 3HD2 LEU 51 -6.873 10.289 10.231 408 HD22 LEU 51 1HD2 LEU 51 -8.354 9.357 10.012 409 HD23 LEU 51 2HD2 LEU 51 -6.835 8.530 10.359 410 H ALA 52 H ALA 52 -6.383 6.730 14.267 411 HA ALA 52 HA ALA 52 -3.910 7.870 13.700 412 HB1 ALA 52 3HB ALA 52 -4.991 7.141 15.957 413 HB2 ALA 52 1HB ALA 52 -4.113 5.637 15.671 414 HB3 ALA 52 2HB ALA 52 -3.236 7.163 15.786 415 H GLU 53 H GLU 53 -5.124 4.686 13.019 416 HA GLU 53 HA GLU 53 -2.522 3.561 12.471 417 HB2 GLU 53 1HB GLU 53 -5.321 2.523 12.020 418 HB3 GLU 53 2HB GLU 53 -3.870 1.616 11.618 419 HG2 GLU 53 1HG GLU 53 -3.270 2.109 14.131 420 HG3 GLU 53 2HG GLU 53 -5.018 2.282 14.273 421 H LYS 54 H LYS 54 -5.183 4.956 10.661 422 HA LYS 54 HA LYS 54 -3.965 4.302 8.107 423 HB2 LYS 54 1HB LYS 54 -6.388 6.026 8.634 424 HB3 LYS 54 2HB LYS 54 -5.921 5.287 7.108 425 HG2 LYS 54 1HG LYS 54 -6.495 3.138 7.843 426 HG3 LYS 54 2HG LYS 54 -6.550 3.640 9.534 427 HD2 LYS 54 1HD LYS 54 -8.796 3.509 8.974 428 HD3 LYS 54 2HD LYS 54 -8.445 5.224 8.744 429 HE2 LYS 54 1HE LYS 54 -7.974 4.607 6.305 430 HE3 LYS 54 2HE LYS 54 -8.774 3.078 6.667 431 HZ1 LYS 54 3HZ LYS 54 -10.671 4.113 6.232 432 HZ2 LYS 54 1HZ LYS 54 -9.922 5.628 6.154 433 HZ3 LYS 54 2HZ LYS 54 -10.451 5.022 7.642 434 H ARG 55 H ARG 55 -3.611 6.686 10.417 435 HA ARG 55 HA ARG 55 -3.393 9.057 8.996 436 HB2 ARG 55 1HB ARG 55 -3.043 8.405 11.571 437 HB3 ARG 55 2HB ARG 55 -1.356 8.533 11.093 438 HG2 ARG 55 1HG ARG 55 -1.802 10.662 11.827 439 HG3 ARG 55 2HG ARG 55 -2.090 10.817 10.093 440 HD2 ARG 55 1HD ARG 55 -4.539 10.224 10.700 441 HD3 ARG 55 2HD ARG 55 -4.067 10.681 12.336 442 HE ARG 55 HE ARG 55 -4.471 12.436 10.088 443 HH11 ARG 55 1HH1 ARG 55 -2.958 12.039 13.198 444 HH12 ARG 55 2HH1 ARG 55 -2.845 13.740 13.506 445 HH21 ARG 55 1HH2 ARG 55 -4.327 14.678 10.482 446 HH22 ARG 55 2HH2 ARG 55 -3.625 15.240 11.961 447 HA PRO 56 HA PRO 56 1.244 7.899 8.157 448 HB2 PRO 56 1HB PRO 56 1.886 5.272 8.394 449 HB3 PRO 56 2HB PRO 56 2.013 6.417 9.735 450 HG2 PRO 56 1HG PRO 56 -0.155 4.443 9.128 451 HG3 PRO 56 2HG PRO 56 0.598 4.835 10.685 452 HD2 PRO 56 1HD PRO 56 -1.809 5.826 9.941 453 HD3 PRO 56 2HD PRO 56 -0.680 6.731 10.970 454 H PHE 57 H PHE 57 -1.282 5.578 7.360 455 HA PHE 57 HA PHE 57 -0.116 5.080 4.736 456 HB2 PHE 57 1HB PHE 57 -2.699 3.986 5.857 457 HB3 PHE 57 2HB PHE 57 -1.789 3.374 4.480 458 HD1 PHE 57 1HD PHE 57 0.720 2.722 5.062 459 HD2 PHE 57 2HD PHE 57 -2.489 2.883 7.853 460 HE1 PHE 57 1HE PHE 57 1.940 1.187 6.549 461 HE2 PHE 57 2HE PHE 57 -1.274 1.350 9.345 462 HZ PHE 57 HZ PHE 57 0.944 0.500 8.694 463 H VAL 58 H VAL 58 -2.178 7.296 6.146 464 HA VAL 58 HA VAL 58 -3.801 7.697 3.749 465 HB VAL 58 HB VAL 58 -3.927 8.820 6.532 466 HG11 VAL 58 1HG1 VAL 58 -4.229 10.709 5.022 467 HG12 VAL 58 2HG1 VAL 58 -5.465 9.815 4.135 468 HG13 VAL 58 3HG1 VAL 58 -5.748 10.287 5.811 469 HG21 VAL 58 3HG2 VAL 58 -5.060 6.619 5.479 470 HG22 VAL 58 1HG2 VAL 58 -5.793 7.567 6.773 471 HG23 VAL 58 2HG2 VAL 58 -6.305 7.811 5.103 472 H GLU 59 H GLU 59 -1.249 9.224 5.615 473 HA GLU 59 HA GLU 59 -1.290 11.660 4.087 474 HB2 GLU 59 1HB GLU 59 0.856 10.622 5.945 475 HB3 GLU 59 2HB GLU 59 0.680 12.274 5.368 476 HG2 GLU 59 1HG GLU 59 -1.597 11.060 6.831 477 HG3 GLU 59 2HG GLU 59 -0.166 11.525 7.750 478 H GLU 60 H GLU 60 -0.093 8.558 3.567 479 HA GLU 60 HA GLU 60 2.105 9.440 1.859 480 HB2 GLU 60 1HB GLU 60 2.719 7.574 3.156 481 HB3 GLU 60 2HB GLU 60 1.192 6.756 2.860 482 HG2 GLU 60 1HG GLU 60 1.833 5.996 0.806 483 HG3 GLU 60 2HG GLU 60 2.957 7.327 0.541 484 H ALA 61 H ALA 61 -0.777 7.358 1.579 485 HA ALA 61 HA ALA 61 -0.716 6.985 -1.172 486 HB1 ALA 61 3HB ALA 61 -3.337 7.276 0.222 487 HB2 ALA 61 1HB ALA 61 -2.828 6.093 -0.983 488 HB3 ALA 61 2HB ALA 61 -2.250 5.964 0.679 489 H GLU 62 H GLU 62 -2.037 9.649 0.719 490 HA GLU 62 HA GLU 62 -3.456 10.949 -1.312 491 HB2 GLU 62 1HB GLU 62 -3.780 11.625 0.960 492 HB3 GLU 62 2HB GLU 62 -2.077 12.015 1.151 493 HG2 GLU 62 1HG GLU 62 -2.263 14.006 0.061 494 HG3 GLU 62 2HG GLU 62 -3.610 13.461 -0.937 495 H ARG 63 H ARG 63 -0.060 11.160 -0.360 496 HA ARG 63 HA ARG 63 0.635 13.286 -2.085 497 HB2 ARG 63 1HB ARG 63 2.409 11.076 -1.032 498 HB3 ARG 63 2HB ARG 63 2.946 12.621 -1.678 499 HG2 ARG 63 1HG ARG 63 2.055 13.806 0.168 500 HG3 ARG 63 2HG ARG 63 1.175 12.386 0.738 501 HD2 ARG 63 1HD ARG 63 3.139 11.315 1.443 502 HD3 ARG 63 2HD ARG 63 4.167 12.395 0.501 503 HE ARG 63 HE ARG 63 2.648 13.711 2.564 504 HH11 ARG 63 1HH1 ARG 63 5.599 12.038 1.783 505 HH12 ARG 63 2HH1 ARG 63 6.498 12.747 3.083 506 HH21 ARG 63 1HH2 ARG 63 3.821 14.651 4.280 507 HH22 ARG 63 2HH2 ARG 63 5.485 14.232 4.504 508 H LEU 64 H LEU 64 0.795 9.763 -2.455 509 HA LEU 64 HA LEU 64 2.042 9.710 -4.964 510 HB2 LEU 64 1HB LEU 64 -0.002 7.717 -4.022 511 HB3 LEU 64 2HB LEU 64 1.350 7.449 -5.120 512 HG LEU 64 HG LEU 64 1.559 7.994 -2.159 513 HD11 LEU 64 1HD1 LEU 64 1.370 5.810 -1.841 514 HD12 LEU 64 2HD1 LEU 64 2.643 5.494 -3.019 515 HD13 LEU 64 3HD1 LEU 64 0.965 5.620 -3.547 516 HD21 LEU 64 3HD2 LEU 64 3.579 8.766 -2.814 517 HD22 LEU 64 1HD2 LEU 64 3.530 7.910 -4.355 518 HD23 LEU 64 2HD2 LEU 64 3.964 7.045 -2.881 519 H ARG 65 H ARG 65 -1.382 9.844 -4.072 520 HA ARG 65 HA ARG 65 -2.461 9.584 -6.643 521 HB2 ARG 65 1HB ARG 65 -3.897 9.368 -4.741 522 HB3 ARG 65 2HB ARG 65 -3.496 10.986 -4.180 523 HG2 ARG 65 1HG ARG 65 -4.501 11.661 -6.529 524 HG3 ARG 65 2HG ARG 65 -5.346 10.125 -6.331 525 HD2 ARG 65 1HD ARG 65 -5.795 11.114 -3.913 526 HD3 ARG 65 2HD ARG 65 -5.570 12.641 -4.766 527 HE ARG 65 HE ARG 65 -7.424 10.796 -6.002 528 HH11 ARG 65 1HH1 ARG 65 -6.995 13.472 -3.817 529 HH12 ARG 65 2HH1 ARG 65 -8.639 14.005 -3.939 530 HH21 ARG 65 1HH2 ARG 65 -9.591 11.488 -6.172 531 HH22 ARG 65 2HH2 ARG 65 -10.115 12.875 -5.279 532 H VAL 66 H VAL 66 -1.793 12.546 -4.773 533 HA VAL 66 HA VAL 66 -2.506 14.373 -6.767 534 HB VAL 66 HB VAL 66 -1.068 15.997 -5.545 535 HG11 VAL 66 1HG1 VAL 66 -2.617 16.264 -3.913 536 HG12 VAL 66 2HG1 VAL 66 -3.450 15.005 -4.828 537 HG13 VAL 66 3HG1 VAL 66 -2.517 14.583 -3.391 538 HG21 VAL 66 3HG2 VAL 66 0.683 14.345 -4.912 539 HG22 VAL 66 1HG2 VAL 66 0.124 15.341 -3.568 540 HG23 VAL 66 2HG2 VAL 66 -0.438 13.677 -3.725 541 H GLN 67 H GLN 67 0.577 12.793 -6.072 542 HA GLN 67 HA GLN 67 2.148 14.246 -7.900 543 HB2 GLN 67 1HB GLN 67 2.413 11.612 -6.516 544 HB3 GLN 67 2HB GLN 67 3.516 11.989 -7.832 545 HG2 GLN 67 1HG GLN 67 4.155 12.549 -5.374 546 HG3 GLN 67 2HG GLN 67 4.548 13.671 -6.676 547 HE21 GLN 67 1HE2 GLN 67 3.128 13.336 -3.681 548 HE22 GLN 67 2HE2 GLN 67 2.272 14.835 -3.621 549 H HIS 68 H HIS 68 -0.191 11.773 -8.350 550 HA HIS 68 HA HIS 68 0.785 10.971 -10.954 551 HB2 HIS 68 1HB HIS 68 -0.301 9.288 -9.596 552 HB3 HIS 68 2HB HIS 68 -1.745 10.285 -9.447 553 HD1 HIS 68 1HD HIS 68 0.205 8.392 -12.088 554 HD2 HIS 68 2HD HIS 68 -3.611 9.881 -11.395 555 HE1 HIS 68 1HE HIS 68 -1.209 7.525 -13.979 556 HE2 HIS 68 2HE HIS 68 -3.494 8.509 -13.584 557 H MET 69 H MET 69 -1.848 12.919 -9.624 558 HA MET 69 HA MET 69 -3.050 13.479 -12.146 559 HB2 MET 69 1HB MET 69 -3.284 14.992 -9.538 560 HB3 MET 69 2HB MET 69 -4.355 15.152 -10.924 561 HG2 MET 69 1HG MET 69 -4.692 12.582 -10.576 562 HG3 MET 69 2HG MET 69 -4.129 12.942 -8.946 563 HE1 MET 69 3HE MET 69 -6.703 14.757 -7.199 564 HE2 MET 69 1HE MET 69 -6.555 12.999 -7.208 565 HE3 MET 69 2HE MET 69 -5.109 14.006 -7.298 566 H GLN 70 H GLN 70 -0.694 15.132 -10.106 567 HA GLN 70 HA GLN 70 -0.588 17.567 -11.475 568 HB2 GLN 70 1HB GLN 70 1.420 17.992 -10.317 569 HB3 GLN 70 2HB GLN 70 0.483 16.961 -9.243 570 HG2 GLN 70 1HG GLN 70 1.812 15.073 -9.742 571 HG3 GLN 70 2HG GLN 70 2.586 15.890 -11.098 572 HE21 GLN 70 1HE2 GLN 70 4.521 16.692 -10.732 573 HE22 GLN 70 2HE2 GLN 70 5.178 17.104 -9.189 574 H ASP 71 H ASP 71 0.978 14.488 -12.107 575 HA ASP 71 HA ASP 71 2.838 15.347 -14.024 576 HB2 ASP 71 1HB ASP 71 2.639 13.055 -12.873 577 HB3 ASP 71 2HB ASP 71 1.462 12.670 -14.125 578 H HIS 72 H HIS 72 -0.574 14.592 -14.256 579 HA HIS 72 HA HIS 72 -0.585 15.685 -16.969 580 HB2 HIS 72 1HB HIS 72 -2.303 13.835 -17.535 581 HB3 HIS 72 2HB HIS 72 -0.592 13.418 -17.546 582 HD1 HIS 72 1HD HIS 72 -3.775 12.769 -15.722 583 HD2 HIS 72 2HD HIS 72 0.227 11.678 -15.491 584 HE1 HIS 72 1HE HIS 72 -3.697 10.838 -14.113 585 HE2 HIS 72 2HE HIS 72 -1.255 10.250 -13.924 586 HA PRO 73 HA PRO 73 -3.929 17.884 -15.010 587 HB2 PRO 73 1HB PRO 73 -4.529 19.437 -17.155 588 HB3 PRO 73 2HB PRO 73 -3.141 19.745 -16.104 589 HG2 PRO 73 1HG PRO 73 -3.235 18.380 -18.767 590 HG3 PRO 73 2HG PRO 73 -2.063 19.562 -18.157 591 HD2 PRO 73 1HD PRO 73 -1.558 16.903 -18.206 592 HD3 PRO 73 2HD PRO 73 -0.899 17.977 -16.955 593 H ASN 74 H ASN 74 -4.082 15.483 -17.253 594 HA ASN 74 HA ASN 74 -6.460 15.669 -18.597 595 HB2 ASN 74 1HB ASN 74 -4.985 13.361 -17.390 596 HB3 ASN 74 2HB ASN 74 -6.581 13.088 -18.082 597 HD21 ASN 74 1HD2 ASN 74 -3.464 14.589 -18.836 598 HD22 ASN 74 2HD2 ASN 74 -3.468 14.160 -20.510 599 H TYR 75 H TYR 75 -5.974 14.677 -15.230 600 HA TYR 75 HA TYR 75 -8.525 13.886 -14.561 601 HB2 TYR 75 1HB TYR 75 -7.950 14.282 -12.294 602 HB3 TYR 75 2HB TYR 75 -6.444 13.864 -13.102 603 HD1 TYR 75 2HD TYR 75 -4.921 15.793 -13.833 604 HD2 TYR 75 1HD TYR 75 -8.133 16.276 -11.084 605 HE1 TYR 75 2HE TYR 75 -3.898 17.874 -13.013 606 HE2 TYR 75 1HE TYR 75 -7.119 18.358 -10.257 607 HH TYR 75 HH TYR 75 -4.953 20.087 -11.798 608 H LYS 76 H LYS 76 -7.194 17.184 -14.351 609 HA LYS 76 HA LYS 76 -9.672 18.368 -15.121 610 HB2 LYS 76 1HB LYS 76 -8.941 18.236 -12.231 611 HB3 LYS 76 2HB LYS 76 -9.677 19.715 -12.836 612 HG2 LYS 76 1HG LYS 76 -11.447 18.080 -13.840 613 HG3 LYS 76 2HG LYS 76 -10.832 16.978 -12.605 614 HD2 LYS 76 1HD LYS 76 -11.598 19.776 -11.873 615 HD3 LYS 76 2HD LYS 76 -12.843 18.538 -12.058 616 HE2 LYS 76 1HE LYS 76 -11.672 17.140 -10.412 617 HE3 LYS 76 2HE LYS 76 -10.457 18.402 -10.215 618 HZ1 LYS 76 3HZ LYS 76 -12.580 19.832 -9.706 619 HZ2 LYS 76 1HZ LYS 76 -11.842 18.902 -8.501 620 HZ3 LYS 76 2HZ LYS 76 -13.229 18.329 -9.281 621 H SER 77 H SER 77 -9.439 20.509 -15.703 622 HA SER 77 HA SER 77 -7.338 22.195 -14.888 623 HB2 SER 77 1HB SER 77 -6.121 20.422 -16.311 624 HB3 SER 77 2HB SER 77 -6.909 21.183 -17.693 625 HG SER 77 HG SER 77 -5.010 22.267 -15.914 626 H GLY 78 H GLY 78 -7.901 24.237 -15.339 627 HA2 GLY 78 1HA GLY 78 -9.275 24.947 -17.768 628 HA3 GLY 78 2HA GLY 78 -10.311 25.003 -16.350 629 HA PRO 79 HA PRO 79 -7.996 29.057 -16.918 630 HB2 PRO 79 1HB PRO 79 -10.196 30.618 -17.223 631 HB3 PRO 79 2HB PRO 79 -9.377 29.836 -18.581 632 HG2 PRO 79 1HG PRO 79 -11.843 28.986 -17.111 633 HG3 PRO 79 2HG PRO 79 -11.523 28.983 -18.855 634 HD2 PRO 79 1HD PRO 79 -11.355 26.746 -17.339 635 HD3 PRO 79 2HD PRO 79 -10.324 27.017 -18.759 636 H SER 80 H SER 80 -10.314 27.657 -14.875 637 HA SER 80 HA SER 80 -11.167 29.510 -13.110 638 HB2 SER 80 1HB SER 80 -9.988 26.796 -12.487 639 HB3 SER 80 2HB SER 80 -10.853 27.777 -11.304 640 HG SER 80 HG SER 80 -12.288 26.345 -12.267 641 H SER 81 H SER 81 -9.842 31.293 -12.883 642 HA SER 81 HA SER 81 -7.185 31.516 -12.448 643 HB2 SER 81 1HB SER 81 -8.997 33.354 -12.482 644 HB3 SER 81 2HB SER 81 -9.087 33.107 -10.739 645 HG SER 81 HG SER 81 -7.547 34.757 -11.656 646 H GLY 82 H GLY 82 -9.558 31.140 -9.806 647 HA2 GLY 82 1HA GLY 82 -7.516 29.672 -8.289 648 HA3 GLY 82 2HA GLY 82 -8.272 31.073 -7.545 Start of MODEL 6 1 H1 GLY 1 H GLY 1 18.254 -12.868 -13.883 2 HA2 GLY 1 1HA GLY 1 16.024 -14.166 -14.595 3 HA3 GLY 1 2HA GLY 1 15.677 -13.798 -12.912 4 H SER 2 H SER 2 15.401 -11.632 -12.271 5 HA SER 2 HA SER 2 15.287 -9.629 -14.403 6 HB2 SER 2 1HB SER 2 12.975 -10.556 -12.721 7 HB3 SER 2 2HB SER 2 13.024 -8.905 -13.339 8 HG SER 2 HG SER 2 11.961 -10.158 -14.836 9 H SER 3 H SER 3 14.515 -7.445 -13.295 10 HA SER 3 HA SER 3 16.530 -6.826 -11.374 11 HB2 SER 3 1HB SER 3 14.200 -5.103 -12.247 12 HB3 SER 3 2HB SER 3 15.698 -4.554 -11.496 13 HG SER 3 HG SER 3 15.173 -5.120 -14.104 14 H GLY 4 H GLY 4 12.982 -6.440 -11.187 15 HA2 GLY 4 1HA GLY 4 11.905 -7.597 -9.246 16 HA3 GLY 4 2HA GLY 4 13.211 -6.926 -8.280 17 H SER 5 H SER 5 13.365 -4.352 -9.102 18 HA SER 5 HA SER 5 10.733 -3.297 -8.317 19 HB2 SER 5 1HB SER 5 13.450 -1.991 -8.034 20 HB3 SER 5 2HB SER 5 11.920 -1.356 -7.429 21 HG SER 5 HG SER 5 11.904 -3.578 -6.320 22 H SER 6 H SER 6 10.061 -1.253 -9.241 23 HA SER 6 HA SER 6 11.355 -0.132 -11.507 24 HB2 SER 6 1HB SER 6 9.253 -2.203 -11.946 25 HB3 SER 6 2HB SER 6 9.257 -0.792 -13.004 26 HG SER 6 HG SER 6 11.697 -1.433 -13.032 27 H GLY 7 H GLY 7 9.863 1.461 -12.650 28 HA2 GLY 7 1HA GLY 7 8.804 3.260 -10.822 29 HA3 GLY 7 2HA GLY 7 8.436 3.257 -12.540 30 H ILE 8 H ILE 8 6.437 4.135 -11.171 31 HA ILE 8 HA ILE 8 4.660 1.868 -10.580 32 HB ILE 8 HB ILE 8 4.344 4.782 -9.849 33 HG12 ILE 8 1HG1 ILE 8 4.497 3.540 -7.492 34 HG13 ILE 8 2HG1 ILE 8 5.448 2.401 -8.439 35 HG21 ILE 8 1HG2 ILE 8 2.635 2.373 -9.268 36 HG22 ILE 8 2HG2 ILE 8 2.491 3.903 -8.405 37 HG23 ILE 8 3HG2 ILE 8 2.179 3.836 -10.139 38 HD11 ILE 8 3HD1 ILE 8 7.198 3.771 -8.526 39 HD12 ILE 8 1HD1 ILE 8 6.198 5.180 -8.879 40 HD13 ILE 8 2HD1 ILE 8 6.405 4.640 -7.212 41 H ARG 9 H ARG 9 2.735 1.603 -11.633 42 HA ARG 9 HA ARG 9 2.435 3.093 -14.122 43 HB2 ARG 9 1HB ARG 9 2.344 0.725 -14.394 44 HB3 ARG 9 2HB ARG 9 1.186 0.553 -13.082 45 HG2 ARG 9 1HG ARG 9 -0.312 2.059 -14.608 46 HG3 ARG 9 2HG ARG 9 0.759 1.471 -15.881 47 HD2 ARG 9 1HD ARG 9 -0.742 -0.299 -13.957 48 HD3 ARG 9 2HD ARG 9 -1.299 0.107 -15.580 49 HE ARG 9 HE ARG 9 1.332 -0.994 -15.594 50 HH11 ARG 9 1HH1 ARG 9 -2.048 -1.807 -15.405 51 HH12 ARG 9 2HH1 ARG 9 -1.835 -3.398 -16.057 52 HH21 ARG 9 1HH2 ARG 9 1.625 -3.086 -16.453 53 HH22 ARG 9 2HH2 ARG 9 0.254 -4.125 -16.652 54 H ARG 10 H ARG 10 0.876 2.644 -11.043 55 HA ARG 10 HA ARG 10 -0.891 4.870 -11.598 56 HB2 ARG 10 1HB ARG 10 -2.919 3.623 -10.876 57 HB3 ARG 10 2HB ARG 10 -2.263 3.064 -12.408 58 HG2 ARG 10 1HG ARG 10 -1.451 1.692 -9.891 59 HG3 ARG 10 2HG ARG 10 -3.037 1.361 -10.592 60 HD2 ARG 10 1HD ARG 10 -2.063 0.609 -12.632 61 HD3 ARG 10 2HD ARG 10 -0.467 1.180 -12.149 62 HE ARG 10 HE ARG 10 -0.199 -0.713 -10.863 63 HH11 ARG 10 1HH1 ARG 10 -3.490 -0.483 -11.976 64 HH12 ARG 10 2HH1 ARG 10 -3.907 -2.091 -11.482 65 HH21 ARG 10 1HH2 ARG 10 -0.736 -2.831 -10.209 66 HH22 ARG 10 2HH2 ARG 10 -2.340 -3.425 -10.476 67 HA PRO 11 HA PRO 11 -0.159 5.696 -7.346 68 HB2 PRO 11 1HB PRO 11 -2.360 7.167 -6.746 69 HB3 PRO 11 2HB PRO 11 -1.034 7.784 -7.738 70 HG2 PRO 11 1HG PRO 11 -3.674 6.661 -8.591 71 HG3 PRO 11 2HG PRO 11 -2.812 8.083 -9.206 72 HD2 PRO 11 1HD PRO 11 -2.790 5.698 -10.489 73 HD3 PRO 11 2HD PRO 11 -1.412 6.817 -10.530 74 H MET 12 H MET 12 -1.538 5.789 -5.188 75 HA MET 12 HA MET 12 -3.523 3.659 -5.076 76 HB2 MET 12 1HB MET 12 -1.335 3.502 -3.059 77 HB3 MET 12 2HB MET 12 -2.369 2.228 -3.693 78 HG2 MET 12 1HG MET 12 -1.091 2.560 -5.890 79 HG3 MET 12 2HG MET 12 0.083 3.436 -4.910 80 HE1 MET 12 3HE MET 12 1.871 1.925 -3.076 81 HE2 MET 12 1HE MET 12 0.301 2.368 -2.406 82 HE3 MET 12 2HE MET 12 0.908 0.724 -2.215 83 H ASN 13 H ASN 13 -4.762 3.651 -3.130 84 HA ASN 13 HA ASN 13 -4.808 6.275 -1.837 85 HB2 ASN 13 1HB ASN 13 -7.070 5.879 -1.322 86 HB3 ASN 13 2HB ASN 13 -6.867 5.189 -2.929 87 HD21 ASN 13 1HD2 ASN 13 -6.363 2.839 -2.981 88 HD22 ASN 13 2HD2 ASN 13 -7.167 1.825 -1.836 89 H ALA 14 H ALA 14 -5.957 5.877 0.527 90 HA ALA 14 HA ALA 14 -3.886 5.066 2.205 91 HB1 ALA 14 3HB ALA 14 -6.013 4.873 3.852 92 HB2 ALA 14 1HB ALA 14 -5.259 6.399 3.392 93 HB3 ALA 14 2HB ALA 14 -6.705 5.840 2.550 94 H PHE 15 H PHE 15 -6.822 3.330 1.224 95 HA PHE 15 HA PHE 15 -6.391 1.041 2.807 96 HB2 PHE 15 1HB PHE 15 -8.568 1.263 1.975 97 HB3 PHE 15 2HB PHE 15 -8.010 1.590 0.338 98 HD1 PHE 15 1HD PHE 15 -8.678 -1.004 2.829 99 HD2 PHE 15 2HD PHE 15 -7.420 -0.202 -1.157 100 HE1 PHE 15 1HE PHE 15 -8.995 -3.376 2.256 101 HE2 PHE 15 2HE PHE 15 -7.736 -2.572 -1.738 102 HZ PHE 15 HZ PHE 15 -8.526 -4.162 -0.031 103 H MET 16 H MET 16 -5.684 1.648 -0.631 104 HA MET 16 HA MET 16 -4.531 -0.805 -1.237 105 HB2 MET 16 1HB MET 16 -4.088 1.960 -2.336 106 HB3 MET 16 2HB MET 16 -3.214 0.571 -2.970 107 HG2 MET 16 1HG MET 16 -6.172 0.403 -2.774 108 HG3 MET 16 2HG MET 16 -5.468 1.404 -4.042 109 HE1 MET 16 3HE MET 16 -4.084 -0.815 -6.576 110 HE2 MET 16 1HE MET 16 -4.206 0.788 -5.849 111 HE3 MET 16 2HE MET 16 -2.920 -0.311 -5.349 112 H VAL 17 H VAL 17 -2.817 2.204 -0.367 113 HA VAL 17 HA VAL 17 -0.246 1.319 -0.272 114 HB VAL 17 HB VAL 17 -1.518 3.150 1.767 115 HG11 VAL 17 1HG1 VAL 17 0.711 4.048 2.093 116 HG12 VAL 17 2HG1 VAL 17 0.703 2.315 2.425 117 HG13 VAL 17 3HG1 VAL 17 1.364 2.920 0.905 118 HG21 VAL 17 3HG2 VAL 17 -1.331 3.483 -0.983 119 HG22 VAL 17 1HG2 VAL 17 -1.616 4.746 0.215 120 HG23 VAL 17 2HG2 VAL 17 0.025 4.407 -0.336 121 H TRP 18 H TRP 18 -2.174 1.538 2.718 122 HA TRP 18 HA TRP 18 -0.586 0.074 4.377 123 HB2 TRP 18 1HB TRP 18 -2.398 1.013 5.461 124 HB3 TRP 18 2HB TRP 18 -3.545 0.469 4.240 125 HD1 TRP 18 HD TRP 18 -1.942 -0.574 7.507 126 HE1 TRP 18 1HE TRP 18 -3.030 -2.759 8.324 127 HE3 TRP 18 3HE TRP 18 -4.661 -1.737 3.336 128 HZ2 TRP 18 2HZ TRP 18 -4.806 -4.716 7.332 129 HZ3 TRP 18 3HZ TRP 18 -6.027 -3.782 3.352 130 HH2 TRP 18 HH TRP 18 -6.097 -5.240 5.309 131 H ALA 19 H ALA 19 -2.731 -1.134 1.890 132 HA ALA 19 HA ALA 19 -2.586 -3.875 2.699 133 HB1 ALA 19 3HB ALA 19 -4.441 -3.681 1.437 134 HB2 ALA 19 1HB ALA 19 -3.778 -2.358 0.476 135 HB3 ALA 19 2HB ALA 19 -3.331 -4.025 0.111 136 H LYS 20 H LYS 20 -0.824 -1.827 0.446 137 HA LYS 20 HA LYS 20 0.529 -3.471 -1.175 138 HB2 LYS 20 1HB LYS 20 2.218 -1.886 -1.319 139 HB3 LYS 20 2HB LYS 20 0.883 -0.943 -0.669 140 HG2 LYS 20 1HG LYS 20 1.940 -1.611 1.634 141 HG3 LYS 20 2HG LYS 20 3.389 -1.850 0.655 142 HD2 LYS 20 1HD LYS 20 1.772 0.677 0.501 143 HD3 LYS 20 2HD LYS 20 3.036 0.454 1.713 144 HE2 LYS 20 1HE LYS 20 3.458 0.161 -1.257 145 HE3 LYS 20 2HE LYS 20 3.787 1.637 -0.351 146 HZ1 LYS 20 3HZ LYS 20 5.219 -0.920 -0.320 147 HZ2 LYS 20 1HZ LYS 20 5.200 0.006 1.095 148 HZ3 LYS 20 2HZ LYS 20 5.831 0.657 -0.333 149 H ASP 21 H ASP 21 1.009 -3.235 2.293 150 HA ASP 21 HA ASP 21 3.199 -5.160 2.204 151 HB2 ASP 21 1HB ASP 21 3.268 -3.134 3.702 152 HB3 ASP 21 2HB ASP 21 1.964 -3.861 4.637 153 H GLU 22 H GLU 22 -0.106 -4.863 3.423 154 HA GLU 22 HA GLU 22 -0.226 -7.365 4.713 155 HB2 GLU 22 1HB GLU 22 -2.477 -5.775 3.468 156 HB3 GLU 22 2HB GLU 22 -2.662 -7.081 4.630 157 HG2 GLU 22 1HG GLU 22 -1.794 -4.284 5.038 158 HG3 GLU 22 2HG GLU 22 -2.824 -5.311 6.034 159 H ARG 23 H ARG 23 -1.556 -6.395 1.546 160 HA ARG 23 HA ARG 23 -2.557 -8.693 0.587 161 HB2 ARG 23 1HB ARG 23 -2.264 -6.473 -0.631 162 HB3 ARG 23 2HB ARG 23 -0.670 -7.051 -1.095 163 HG2 ARG 23 1HG ARG 23 -1.719 -8.987 -2.197 164 HG3 ARG 23 2HG ARG 23 -3.305 -8.334 -1.783 165 HD2 ARG 23 1HD ARG 23 -1.398 -6.566 -3.220 166 HD3 ARG 23 2HD ARG 23 -2.160 -7.871 -4.129 167 HE ARG 23 HE ARG 23 -4.262 -6.712 -2.923 168 HH11 ARG 23 1HH1 ARG 23 -1.612 -5.411 -4.767 169 HH12 ARG 23 2HH1 ARG 23 -2.526 -4.074 -5.384 170 HH21 ARG 23 1HH2 ARG 23 -5.476 -4.957 -3.727 171 HH22 ARG 23 2HH2 ARG 23 -4.724 -3.817 -4.790 172 H LYS 24 H LYS 24 0.903 -7.864 0.440 173 HA LYS 24 HA LYS 24 1.935 -10.045 -0.817 174 HB2 LYS 24 1HB LYS 24 3.076 -8.680 1.628 175 HB3 LYS 24 2HB LYS 24 3.980 -9.730 0.546 176 HG2 LYS 24 1HG LYS 24 3.117 -8.014 -1.266 177 HG3 LYS 24 2HG LYS 24 3.025 -6.951 0.140 178 HD2 LYS 24 1HD LYS 24 5.177 -6.574 -0.641 179 HD3 LYS 24 2HD LYS 24 5.433 -7.785 0.618 180 HE2 LYS 24 1HE LYS 24 5.888 -9.455 -0.894 181 HE3 LYS 24 2HE LYS 24 4.949 -8.696 -2.178 182 HZ1 LYS 24 3HZ LYS 24 7.515 -7.605 -1.166 183 HZ2 LYS 24 1HZ LYS 24 6.662 -7.116 -2.543 184 HZ3 LYS 24 2HZ LYS 24 7.402 -8.637 -2.502 185 H ARG 25 H ARG 25 1.044 -9.833 2.609 186 HA ARG 25 HA ARG 25 1.900 -12.420 3.328 187 HB2 ARG 25 1HB ARG 25 0.987 -11.989 5.386 188 HB3 ARG 25 2HB ARG 25 1.111 -10.347 4.768 189 HG2 ARG 25 1HG ARG 25 -1.326 -10.867 3.896 190 HG3 ARG 25 2HG ARG 25 -1.289 -12.030 5.222 191 HD2 ARG 25 1HD ARG 25 -0.335 -9.929 6.532 192 HD3 ARG 25 2HD ARG 25 -1.232 -9.061 5.287 193 HE ARG 25 HE ARG 25 -3.184 -9.707 6.294 194 HH11 ARG 25 1HH1 ARG 25 -0.570 -11.656 7.513 195 HH12 ARG 25 2HH1 ARG 25 -1.531 -12.406 8.745 196 HH21 ARG 25 1HH2 ARG 25 -4.459 -10.687 7.911 197 HH22 ARG 25 2HH2 ARG 25 -3.743 -11.854 8.970 198 H LEU 26 H LEU 26 -1.033 -11.221 1.858 199 HA LEU 26 HA LEU 26 -2.600 -13.558 2.286 200 HB2 LEU 26 1HB LEU 26 -2.920 -11.493 0.117 201 HB3 LEU 26 2HB LEU 26 -4.151 -12.601 0.719 202 HG LEU 26 HG LEU 26 -2.976 -10.210 2.124 203 HD11 LEU 26 1HD1 LEU 26 -5.665 -10.917 1.004 204 HD12 LEU 26 2HD1 LEU 26 -4.674 -9.491 0.698 205 HD13 LEU 26 3HD1 LEU 26 -5.480 -9.687 2.254 206 HD21 LEU 26 3HD2 LEU 26 -4.873 -12.281 3.226 207 HD22 LEU 26 1HD2 LEU 26 -4.369 -10.795 4.032 208 HD23 LEU 26 2HD2 LEU 26 -3.189 -12.066 3.709 209 H ALA 27 H ALA 27 -0.672 -12.370 -0.444 210 HA ALA 27 HA ALA 27 -1.262 -14.364 -2.290 211 HB1 ALA 27 3HB ALA 27 -0.067 -12.735 -3.308 212 HB2 ALA 27 1HB ALA 27 0.954 -12.449 -1.898 213 HB3 ALA 27 2HB ALA 27 1.275 -13.824 -2.956 214 H GLN 28 H GLN 28 1.407 -14.251 0.068 215 HA GLN 28 HA GLN 28 2.452 -16.791 -0.575 216 HB2 GLN 28 1HB GLN 28 3.658 -16.612 1.569 217 HB3 GLN 28 2HB GLN 28 3.784 -15.142 0.611 218 HG2 GLN 28 1HG GLN 28 2.490 -13.923 2.052 219 HG3 GLN 28 2HG GLN 28 1.633 -15.341 2.655 220 HE21 GLN 28 1HE2 GLN 28 2.141 -14.158 4.703 221 HE22 GLN 28 2HE2 GLN 28 3.633 -14.539 5.486 222 H GLN 29 H GLN 29 -0.041 -15.732 1.653 223 HA GLN 29 HA GLN 29 -0.279 -18.249 2.994 224 HB2 GLN 29 1HB GLN 29 -1.748 -15.665 3.001 225 HB3 GLN 29 2HB GLN 29 -2.622 -17.087 3.556 226 HG2 GLN 29 1HG GLN 29 -0.901 -17.511 5.223 227 HG3 GLN 29 2HG GLN 29 0.003 -16.108 4.655 228 HE21 GLN 29 1HE2 GLN 29 -3.270 -16.945 5.745 229 HE22 GLN 29 2HE2 GLN 29 -3.495 -15.530 6.710 230 H ASN 30 H ASN 30 -1.720 -16.770 0.180 231 HA ASN 30 HA ASN 30 -3.138 -19.287 -0.349 232 HB2 ASN 30 1HB ASN 30 -4.268 -16.513 -0.784 233 HB3 ASN 30 2HB ASN 30 -5.041 -18.017 -1.275 234 HD21 ASN 30 1HD2 ASN 30 -4.975 -15.697 1.036 235 HD22 ASN 30 2HD2 ASN 30 -5.661 -16.578 2.355 236 HA PRO 31 HA PRO 31 -0.450 -18.200 -3.922 237 HB2 PRO 31 1HB PRO 31 0.229 -20.773 -4.462 238 HB3 PRO 31 2HB PRO 31 1.077 -19.787 -3.264 239 HG2 PRO 31 1HG PRO 31 -1.051 -21.852 -2.854 240 HG3 PRO 31 2HG PRO 31 0.440 -21.584 -1.933 241 HD2 PRO 31 1HD PRO 31 -1.978 -20.720 -1.074 242 HD3 PRO 31 2HD PRO 31 -0.472 -19.849 -0.720 243 H ASP 32 H ASP 32 -3.349 -19.848 -3.445 244 HA ASP 32 HA ASP 32 -3.697 -20.342 -6.324 245 HB2 ASP 32 1HB ASP 32 -4.809 -21.610 -3.875 246 HB3 ASP 32 2HB ASP 32 -5.865 -21.515 -5.281 247 H LEU 33 H LEU 33 -4.622 -18.313 -3.745 248 HA LEU 33 HA LEU 33 -7.117 -17.466 -4.951 249 HB2 LEU 33 1HB LEU 33 -5.585 -16.564 -2.526 250 HB3 LEU 33 2HB LEU 33 -7.056 -15.765 -3.078 251 HG LEU 33 HG LEU 33 -6.783 -18.583 -2.045 252 HD11 LEU 33 1HD1 LEU 33 -8.523 -16.368 -1.006 253 HD12 LEU 33 2HD1 LEU 33 -6.863 -16.596 -0.455 254 HD13 LEU 33 3HD1 LEU 33 -8.056 -17.872 -0.210 255 HD21 LEU 33 3HD2 LEU 33 -9.469 -18.050 -2.330 256 HD22 LEU 33 1HD2 LEU 33 -8.500 -19.085 -3.379 257 HD23 LEU 33 2HD2 LEU 33 -8.768 -17.396 -3.811 258 H HIS 34 H HIS 34 -7.531 -15.279 -5.608 259 HA HIS 34 HA HIS 34 -5.120 -13.899 -6.594 260 HB2 HIS 34 1HB HIS 34 -6.592 -13.046 -8.441 261 HB3 HIS 34 2HB HIS 34 -6.317 -14.785 -8.476 262 HD1 HIS 34 1HD HIS 34 -8.967 -12.283 -8.434 263 HD2 HIS 34 2HD HIS 34 -8.598 -16.310 -7.483 264 HE1 HIS 34 1HE HIS 34 -11.318 -13.170 -8.346 265 HE2 HIS 34 2HE HIS 34 -11.074 -15.589 -7.685 266 H ASN 35 H ASN 35 -5.619 -11.517 -7.110 267 HA ASN 35 HA ASN 35 -5.895 -10.000 -4.942 268 HB2 ASN 35 1HB ASN 35 -5.623 -9.320 -7.451 269 HB3 ASN 35 2HB ASN 35 -7.364 -9.066 -7.386 270 HD21 ASN 35 1HD2 ASN 35 -5.278 -7.121 -7.811 271 HD22 ASN 35 2HD2 ASN 35 -5.418 -5.959 -6.540 272 H ALA 36 H ALA 36 -8.750 -10.326 -7.050 273 HA ALA 36 HA ALA 36 -10.714 -9.336 -5.543 274 HB1 ALA 36 3HB ALA 36 -10.803 -10.699 -7.767 275 HB2 ALA 36 1HB ALA 36 -11.232 -12.038 -6.702 276 HB3 ALA 36 2HB ALA 36 -12.233 -10.586 -6.741 277 H GLU 37 H GLU 37 -9.204 -12.483 -4.995 278 HA GLU 37 HA GLU 37 -10.935 -13.149 -2.801 279 HB2 GLU 37 1HB GLU 37 -8.381 -14.373 -3.841 280 HB3 GLU 37 2HB GLU 37 -9.245 -15.004 -2.446 281 HG2 GLU 37 1HG GLU 37 -10.769 -14.613 -4.959 282 HG3 GLU 37 2HG GLU 37 -9.623 -15.950 -4.881 283 H LEU 38 H LEU 38 -7.635 -11.931 -3.160 284 HA LEU 38 HA LEU 38 -6.902 -12.011 -0.453 285 HB2 LEU 38 1HB LEU 38 -5.967 -9.906 -2.377 286 HB3 LEU 38 2HB LEU 38 -5.091 -10.626 -1.028 287 HG LEU 38 HG LEU 38 -5.723 -11.898 -3.687 288 HD11 LEU 38 1HD1 LEU 38 -3.509 -10.402 -2.663 289 HD12 LEU 38 2HD1 LEU 38 -3.748 -11.081 -4.273 290 HD13 LEU 38 3HD1 LEU 38 -3.002 -12.056 -3.007 291 HD21 LEU 38 3HD2 LEU 38 -4.584 -13.088 -1.168 292 HD22 LEU 38 1HD2 LEU 38 -4.367 -13.810 -2.762 293 HD23 LEU 38 2HD2 LEU 38 -5.988 -13.628 -2.090 294 H SER 39 H SER 39 -8.302 -9.374 -2.385 295 HA SER 39 HA SER 39 -8.347 -7.325 -0.600 296 HB2 SER 39 1HB SER 39 -9.441 -7.649 -3.016 297 HB3 SER 39 2HB SER 39 -10.905 -7.814 -2.047 298 HG SER 39 HG SER 39 -10.876 -5.742 -1.760 299 H LYS 40 H LYS 40 -10.914 -9.786 -0.874 300 HA LYS 40 HA LYS 40 -12.658 -9.116 1.035 301 HB2 LYS 40 1HB LYS 40 -11.465 -11.838 0.525 302 HB3 LYS 40 2HB LYS 40 -12.821 -11.591 1.617 303 HG2 LYS 40 1HG LYS 40 -13.057 -10.473 -1.115 304 HG3 LYS 40 2HG LYS 40 -13.142 -12.227 -0.937 305 HD2 LYS 40 1HD LYS 40 -14.864 -11.773 0.900 306 HD3 LYS 40 2HD LYS 40 -14.932 -10.130 0.258 307 HE2 LYS 40 1HE LYS 40 -15.900 -10.797 -1.714 308 HE3 LYS 40 2HE LYS 40 -15.213 -12.419 -1.628 309 HZ1 LYS 40 3HZ LYS 40 -17.698 -12.160 -1.218 310 HZ2 LYS 40 1HZ LYS 40 -17.274 -11.520 0.289 311 HZ3 LYS 40 2HZ LYS 40 -16.825 -13.100 -0.115 312 H MET 41 H MET 41 -9.375 -10.151 1.613 313 HA MET 41 HA MET 41 -9.798 -10.182 4.503 314 HB2 MET 41 1HB MET 41 -7.232 -10.716 3.006 315 HB3 MET 41 2HB MET 41 -7.599 -11.125 4.676 316 HG2 MET 41 1HG MET 41 -9.205 -12.769 3.975 317 HG3 MET 41 2HG MET 41 -9.010 -12.292 2.290 318 HE1 MET 41 3HE MET 41 -8.040 -14.939 1.297 319 HE2 MET 41 1HE MET 41 -7.817 -13.264 0.791 320 HE3 MET 41 2HE MET 41 -6.424 -14.337 0.924 321 H LEU 42 H LEU 42 -8.117 -8.366 2.002 322 HA LEU 42 HA LEU 42 -6.622 -6.688 3.708 323 HB2 LEU 42 1HB LEU 42 -7.647 -6.210 0.915 324 HB3 LEU 42 2HB LEU 42 -6.464 -5.196 1.739 325 HG LEU 42 HG LEU 42 -6.067 -8.095 0.998 326 HD11 LEU 42 1HD1 LEU 42 -6.132 -6.109 -0.775 327 HD12 LEU 42 2HD1 LEU 42 -4.996 -7.452 -0.892 328 HD13 LEU 42 3HD1 LEU 42 -4.473 -5.913 -0.209 329 HD21 LEU 42 3HD2 LEU 42 -4.264 -8.084 2.292 330 HD22 LEU 42 1HD2 LEU 42 -4.784 -6.524 2.931 331 HD23 LEU 42 2HD2 LEU 42 -3.685 -6.590 1.553 332 H GLY 43 H GLY 43 -9.953 -6.737 2.839 333 HA2 GLY 43 1HA GLY 43 -10.432 -3.962 3.518 334 HA3 GLY 43 2HA GLY 43 -11.646 -5.160 3.094 335 H LYS 44 H LYS 44 -11.393 -7.100 4.910 336 HA LYS 44 HA LYS 44 -12.706 -6.141 7.155 337 HB2 LYS 44 1HB LYS 44 -12.457 -8.319 8.093 338 HB3 LYS 44 2HB LYS 44 -12.617 -8.526 6.354 339 HG2 LYS 44 1HG LYS 44 -10.293 -8.954 6.107 340 HG3 LYS 44 2HG LYS 44 -9.967 -8.473 7.774 341 HD2 LYS 44 1HD LYS 44 -11.227 -10.378 8.597 342 HD3 LYS 44 2HD LYS 44 -11.653 -10.837 6.947 343 HE2 LYS 44 1HE LYS 44 -9.322 -11.253 6.431 344 HE3 LYS 44 2HE LYS 44 -8.842 -10.697 8.034 345 HZ1 LYS 44 3HZ LYS 44 -8.882 -12.951 8.329 346 HZ2 LYS 44 1HZ LYS 44 -10.164 -13.199 7.255 347 HZ3 LYS 44 2HZ LYS 44 -10.462 -12.569 8.795 348 H SER 45 H SER 45 -9.275 -6.547 6.566 349 HA SER 45 HA SER 45 -8.533 -6.025 9.301 350 HB2 SER 45 1HB SER 45 -6.989 -6.371 6.739 351 HB3 SER 45 2HB SER 45 -6.195 -5.843 8.222 352 HG SER 45 HG SER 45 -7.824 -8.143 8.189 353 H TRP 46 H TRP 46 -8.929 -4.198 6.357 354 HA TRP 46 HA TRP 46 -7.508 -1.881 7.149 355 HB2 TRP 46 1HB TRP 46 -8.057 -2.303 4.809 356 HB3 TRP 46 2HB TRP 46 -9.777 -2.195 5.173 357 HD1 TRP 46 HD TRP 46 -10.787 0.060 4.545 358 HE1 TRP 46 1HE TRP 46 -9.933 2.478 4.327 359 HE3 TRP 46 3HE TRP 46 -5.939 -0.657 5.999 360 HZ2 TRP 46 2HZ TRP 46 -7.523 3.894 4.719 361 HZ3 TRP 46 3HZ TRP 46 -4.424 1.281 6.049 362 HH2 TRP 46 HH TRP 46 -5.201 3.509 5.422 363 H LYS 47 H LYS 47 -11.040 -2.207 6.783 364 HA LYS 47 HA LYS 47 -11.838 0.041 8.099 365 HB2 LYS 47 1HB LYS 47 -13.050 -2.642 7.704 366 HB3 LYS 47 2HB LYS 47 -13.804 -1.597 8.901 367 HG2 LYS 47 1HG LYS 47 -14.378 0.009 7.315 368 HG3 LYS 47 2HG LYS 47 -13.223 -0.611 6.133 369 HD2 LYS 47 1HD LYS 47 -15.599 -2.194 7.090 370 HD3 LYS 47 2HD LYS 47 -15.660 -1.126 5.686 371 HE2 LYS 47 1HE LYS 47 -13.725 -2.420 4.745 372 HE3 LYS 47 2HE LYS 47 -13.932 -3.564 6.070 373 HZ1 LYS 47 3HZ LYS 47 -16.130 -2.877 4.209 374 HZ2 LYS 47 1HZ LYS 47 -16.042 -4.181 5.282 375 HZ3 LYS 47 2HZ LYS 47 -15.053 -4.147 3.911 376 H ALA 48 H ALA 48 -10.681 -2.945 9.513 377 HA ALA 48 HA ALA 48 -11.491 -2.496 12.170 378 HB1 ALA 48 3HB ALA 48 -9.640 -4.092 12.739 379 HB2 ALA 48 1HB ALA 48 -10.793 -4.680 11.540 380 HB3 ALA 48 2HB ALA 48 -9.209 -4.095 11.029 381 H LEU 49 H LEU 49 -8.636 -1.485 10.368 382 HA LEU 49 HA LEU 49 -7.060 -0.559 12.465 383 HB2 LEU 49 1HB LEU 49 -7.341 0.414 9.632 384 HB3 LEU 49 2HB LEU 49 -6.120 1.028 10.745 385 HG LEU 49 HG LEU 49 -6.351 -1.851 9.873 386 HD11 LEU 49 1HD1 LEU 49 -3.983 -0.706 8.920 387 HD12 LEU 49 2HD1 LEU 49 -5.265 0.437 8.520 388 HD13 LEU 49 3HD1 LEU 49 -5.376 -1.238 7.979 389 HD21 LEU 49 3HD2 LEU 49 -4.533 -0.345 11.693 390 HD22 LEU 49 1HD2 LEU 49 -3.884 -1.685 10.746 391 HD23 LEU 49 2HD2 LEU 49 -5.219 -1.962 11.866 392 H THR 50 H THR 50 -6.678 1.593 13.240 393 HA THR 50 HA THR 50 -9.151 3.173 13.369 394 HB THR 50 HB THR 50 -8.253 4.173 15.407 395 HG1 THR 50 1HG THR 50 -6.064 2.374 15.226 396 HG21 THR 50 3HG2 THR 50 -7.972 1.169 15.504 397 HG22 THR 50 1HG2 THR 50 -9.509 2.032 15.529 398 HG23 THR 50 2HG2 THR 50 -8.359 2.240 16.850 399 H LEU 51 H LEU 51 -8.965 5.520 13.406 400 HA LEU 51 HA LEU 51 -7.840 6.662 11.236 401 HB2 LEU 51 1HB LEU 51 -9.381 7.735 12.903 402 HB3 LEU 51 2HB LEU 51 -7.965 8.060 13.901 403 HG LEU 51 HG LEU 51 -8.968 9.894 12.306 404 HD11 LEU 51 1HD1 LEU 51 -6.829 9.838 13.764 405 HD12 LEU 51 2HD1 LEU 51 -6.965 11.038 12.479 406 HD13 LEU 51 3HD1 LEU 51 -5.994 9.587 12.231 407 HD21 LEU 51 3HD2 LEU 51 -7.051 8.470 10.465 408 HD22 LEU 51 1HD2 LEU 51 -7.926 9.967 10.140 409 HD23 LEU 51 2HD2 LEU 51 -8.807 8.447 10.298 410 H ALA 52 H ALA 52 -6.305 6.691 14.457 411 HA ALA 52 HA ALA 52 -3.921 7.906 13.784 412 HB1 ALA 52 3HB ALA 52 -4.270 5.672 15.780 413 HB2 ALA 52 1HB ALA 52 -2.965 6.859 15.746 414 HB3 ALA 52 2HB ALA 52 -4.618 7.374 16.084 415 H GLU 53 H GLU 53 -4.920 4.578 13.289 416 HA GLU 53 HA GLU 53 -2.319 3.645 12.529 417 HB2 GLU 53 1HB GLU 53 -5.081 2.464 12.233 418 HB3 GLU 53 2HB GLU 53 -3.624 1.644 11.691 419 HG2 GLU 53 1HG GLU 53 -3.809 2.606 14.506 420 HG3 GLU 53 2HG GLU 53 -4.637 1.124 14.029 421 H LYS 54 H LYS 54 -5.025 5.096 10.904 422 HA LYS 54 HA LYS 54 -4.011 4.425 8.264 423 HB2 LYS 54 1HB LYS 54 -6.349 6.182 9.031 424 HB3 LYS 54 2HB LYS 54 -5.987 5.572 7.422 425 HG2 LYS 54 1HG LYS 54 -6.484 3.341 8.063 426 HG3 LYS 54 2HG LYS 54 -6.571 3.786 9.769 427 HD2 LYS 54 1HD LYS 54 -8.799 3.761 9.278 428 HD3 LYS 54 2HD LYS 54 -8.435 5.437 8.860 429 HE2 LYS 54 1HE LYS 54 -8.173 4.793 6.515 430 HE3 LYS 54 2HE LYS 54 -8.524 3.117 6.932 431 HZ1 LYS 54 3HZ LYS 54 -10.488 5.126 7.721 432 HZ2 LYS 54 1HZ LYS 54 -10.720 3.540 7.180 433 HZ3 LYS 54 2HZ LYS 54 -10.376 4.770 6.071 434 H ARG 55 H ARG 55 -3.448 6.776 10.578 435 HA ARG 55 HA ARG 55 -3.219 9.146 9.150 436 HB2 ARG 55 1HB ARG 55 -2.790 8.486 11.708 437 HB3 ARG 55 2HB ARG 55 -1.119 8.543 11.165 438 HG2 ARG 55 1HG ARG 55 -1.459 10.688 11.921 439 HG3 ARG 55 2HG ARG 55 -1.777 10.854 10.194 440 HD2 ARG 55 1HD ARG 55 -4.242 10.300 10.944 441 HD3 ARG 55 2HD ARG 55 -3.667 10.910 12.494 442 HE ARG 55 HE ARG 55 -3.138 12.613 10.214 443 HH11 ARG 55 1HH1 ARG 55 -5.282 11.838 12.845 444 HH12 ARG 55 2HH1 ARG 55 -6.028 13.402 12.869 445 HH21 ARG 55 1HH2 ARG 55 -4.112 14.675 10.236 446 HH22 ARG 55 2HH2 ARG 55 -5.363 15.014 11.384 447 HA PRO 56 HA PRO 56 1.338 7.832 8.119 448 HB2 PRO 56 1HB PRO 56 1.896 5.183 8.322 449 HB3 PRO 56 2HB PRO 56 2.119 6.316 9.659 450 HG2 PRO 56 1HG PRO 56 -0.141 4.423 9.137 451 HG3 PRO 56 2HG PRO 56 0.689 4.781 10.663 452 HD2 PRO 56 1HD PRO 56 -1.710 5.860 10.022 453 HD3 PRO 56 2HD PRO 56 -0.508 6.720 11.005 454 H PHE 57 H PHE 57 -1.305 5.615 7.418 455 HA PHE 57 HA PHE 57 -0.264 5.078 4.749 456 HB2 PHE 57 1HB PHE 57 -2.858 4.091 5.936 457 HB3 PHE 57 2HB PHE 57 -1.984 3.426 4.560 458 HD1 PHE 57 1HD PHE 57 0.554 2.775 5.183 459 HD2 PHE 57 2HD PHE 57 -2.723 2.922 7.895 460 HE1 PHE 57 1HE PHE 57 1.728 1.215 6.681 461 HE2 PHE 57 2HE PHE 57 -1.555 1.364 9.398 462 HZ PHE 57 HZ PHE 57 0.674 0.509 8.792 463 H VAL 58 H VAL 58 -2.221 7.343 6.259 464 HA VAL 58 HA VAL 58 -3.908 7.825 3.927 465 HB VAL 58 HB VAL 58 -3.864 8.950 6.711 466 HG11 VAL 58 1HG1 VAL 58 -5.644 10.500 6.072 467 HG12 VAL 58 2HG1 VAL 58 -4.146 10.853 5.208 468 HG13 VAL 58 3HG1 VAL 58 -5.464 10.015 4.386 469 HG21 VAL 58 3HG2 VAL 58 -6.369 8.091 5.447 470 HG22 VAL 58 1HG2 VAL 58 -5.163 6.818 5.638 471 HG23 VAL 58 2HG2 VAL 58 -5.719 7.724 7.045 472 H GLU 59 H GLU 59 -1.253 9.290 5.714 473 HA GLU 59 HA GLU 59 -1.249 11.693 4.130 474 HB2 GLU 59 1HB GLU 59 0.889 10.639 5.990 475 HB3 GLU 59 2HB GLU 59 0.757 12.280 5.373 476 HG2 GLU 59 1HG GLU 59 -1.521 11.149 6.912 477 HG3 GLU 59 2HG GLU 59 -0.073 11.654 7.780 478 H GLU 60 H GLU 60 -0.088 8.542 3.720 479 HA GLU 60 HA GLU 60 2.134 9.287 2.005 480 HB2 GLU 60 1HB GLU 60 2.569 7.352 3.277 481 HB3 GLU 60 2HB GLU 60 0.989 6.664 2.929 482 HG2 GLU 60 1HG GLU 60 1.614 5.902 0.870 483 HG3 GLU 60 2HG GLU 60 2.850 7.142 0.664 484 H ALA 61 H ALA 61 -0.938 7.516 1.649 485 HA ALA 61 HA ALA 61 -0.849 7.164 -1.113 486 HB1 ALA 61 3HB ALA 61 -3.551 7.609 -0.270 487 HB2 ALA 61 1HB ALA 61 -2.754 6.100 -0.717 488 HB3 ALA 61 2HB ALA 61 -2.689 6.672 0.950 489 H GLU 62 H GLU 62 -1.859 9.927 0.804 490 HA GLU 62 HA GLU 62 -3.197 11.393 -1.158 491 HB2 GLU 62 1HB GLU 62 -3.342 12.129 1.098 492 HB3 GLU 62 2HB GLU 62 -1.595 12.254 1.245 493 HG2 GLU 62 1HG GLU 62 -1.502 14.254 0.157 494 HG3 GLU 62 2HG GLU 62 -2.951 13.931 -0.794 495 H ARG 63 H ARG 63 0.245 11.171 -0.403 496 HA ARG 63 HA ARG 63 1.065 13.197 -2.222 497 HB2 ARG 63 1HB ARG 63 2.679 10.891 -1.117 498 HB3 ARG 63 2HB ARG 63 3.321 12.358 -1.845 499 HG2 ARG 63 1HG ARG 63 2.894 13.628 -0.002 500 HG3 ARG 63 2HG ARG 63 1.523 12.637 0.500 501 HD2 ARG 63 1HD ARG 63 3.311 12.310 2.063 502 HD3 ARG 63 2HD ARG 63 3.123 10.837 1.111 503 HE ARG 63 HE ARG 63 5.249 11.129 0.346 504 HH11 ARG 63 1HH1 ARG 63 4.071 14.179 1.540 505 HH12 ARG 63 2HH1 ARG 63 5.585 14.995 1.329 506 HH21 ARG 63 1HH2 ARG 63 7.248 12.192 0.063 507 HH22 ARG 63 2HH2 ARG 63 7.391 13.864 0.488 508 H LEU 64 H LEU 64 0.825 9.672 -2.426 509 HA LEU 64 HA LEU 64 2.007 9.372 -4.957 510 HB2 LEU 64 1HB LEU 64 -0.194 7.643 -3.860 511 HB3 LEU 64 2HB LEU 64 1.085 7.187 -4.983 512 HG LEU 64 HG LEU 64 1.475 7.867 -2.069 513 HD11 LEU 64 1HD1 LEU 64 0.776 5.402 -3.448 514 HD12 LEU 64 2HD1 LEU 64 0.735 5.792 -1.728 515 HD13 LEU 64 3HD1 LEU 64 2.241 5.259 -2.475 516 HD21 LEU 64 3HD2 LEU 64 3.538 8.340 -2.871 517 HD22 LEU 64 1HD2 LEU 64 3.316 7.372 -4.328 518 HD23 LEU 64 2HD2 LEU 64 3.709 6.586 -2.799 519 H ARG 65 H ARG 65 -1.356 9.899 -3.985 520 HA ARG 65 HA ARG 65 -2.553 9.614 -6.493 521 HB2 ARG 65 1HB ARG 65 -3.941 9.696 -4.553 522 HB3 ARG 65 2HB ARG 65 -3.315 11.273 -4.093 523 HG2 ARG 65 1HG ARG 65 -4.312 12.006 -6.399 524 HG3 ARG 65 2HG ARG 65 -5.300 10.558 -6.191 525 HD2 ARG 65 1HD ARG 65 -5.634 11.589 -3.773 526 HD3 ARG 65 2HD ARG 65 -5.268 13.086 -4.629 527 HE ARG 65 HE ARG 65 -7.167 11.907 -6.171 528 HH11 ARG 65 1HH1 ARG 65 -6.962 12.755 -2.800 529 HH12 ARG 65 2HH1 ARG 65 -8.665 13.024 -2.630 530 HH21 ARG 65 1HH2 ARG 65 -9.411 12.258 -5.959 531 HH22 ARG 65 2HH2 ARG 65 -10.057 12.740 -4.427 532 H VAL 66 H VAL 66 -1.563 12.626 -4.854 533 HA VAL 66 HA VAL 66 -2.117 14.382 -6.934 534 HB VAL 66 HB VAL 66 -0.376 15.868 -5.904 535 HG11 VAL 66 1HG1 VAL 66 -2.014 16.535 -4.562 536 HG12 VAL 66 2HG1 VAL 66 -2.854 15.021 -4.902 537 HG13 VAL 66 3HG1 VAL 66 -1.780 15.141 -3.509 538 HG21 VAL 66 3HG2 VAL 66 0.713 15.167 -3.858 539 HG22 VAL 66 1HG2 VAL 66 -0.057 13.583 -3.961 540 HG23 VAL 66 2HG2 VAL 66 1.138 14.064 -5.167 541 H GLN 67 H GLN 67 0.719 12.383 -6.356 542 HA GLN 67 HA GLN 67 2.388 13.544 -8.314 543 HB2 GLN 67 1HB GLN 67 2.347 10.921 -6.872 544 HB3 GLN 67 2HB GLN 67 3.450 11.149 -8.222 545 HG2 GLN 67 1HG GLN 67 4.507 12.999 -7.113 546 HG3 GLN 67 2HG GLN 67 3.328 12.934 -5.804 547 HE21 GLN 67 1HE2 GLN 67 3.620 11.530 -4.160 548 HE22 GLN 67 2HE2 GLN 67 4.972 10.465 -4.019 549 H HIS 68 H HIS 68 -0.378 11.590 -8.577 550 HA HIS 68 HA HIS 68 0.343 10.628 -11.244 551 HB2 HIS 68 1HB HIS 68 -0.641 8.926 -9.903 552 HB3 HIS 68 2HB HIS 68 -1.944 9.990 -9.383 553 HD1 HIS 68 1HD HIS 68 -0.806 7.940 -12.315 554 HD2 HIS 68 2HD HIS 68 -4.114 10.144 -11.108 555 HE1 HIS 68 1HE HIS 68 -2.618 7.393 -13.971 556 HE2 HIS 68 2HE HIS 68 -4.584 8.804 -13.270 557 H MET 69 H MET 69 -1.846 12.818 -9.600 558 HA MET 69 HA MET 69 -3.473 13.396 -11.862 559 HB2 MET 69 1HB MET 69 -2.993 14.893 -9.285 560 HB3 MET 69 2HB MET 69 -4.159 15.402 -10.499 561 HG2 MET 69 1HG MET 69 -5.068 12.970 -10.216 562 HG3 MET 69 2HG MET 69 -4.226 13.056 -8.670 563 HE1 MET 69 3HE MET 69 -4.938 16.017 -7.274 564 HE2 MET 69 1HE MET 69 -6.186 15.094 -6.435 565 HE3 MET 69 2HE MET 69 -4.656 14.326 -6.858 566 H GLN 70 H GLN 70 -0.756 15.106 -10.328 567 HA GLN 70 HA GLN 70 -0.641 17.337 -11.940 568 HB2 GLN 70 1HB GLN 70 1.640 17.581 -11.272 569 HB3 GLN 70 2HB GLN 70 0.770 16.874 -9.917 570 HG2 GLN 70 1HG GLN 70 1.682 14.724 -10.346 571 HG3 GLN 70 2HG GLN 70 2.358 15.253 -11.886 572 HE21 GLN 70 1HE2 GLN 70 4.454 15.553 -11.831 573 HE22 GLN 70 2HE2 GLN 70 5.378 16.091 -10.474 574 H ASP 71 H ASP 71 0.393 14.070 -12.631 575 HA ASP 71 HA ASP 71 1.987 14.578 -14.885 576 HB2 ASP 71 1HB ASP 71 0.509 12.218 -13.823 577 HB3 ASP 71 2HB ASP 71 1.059 12.157 -15.496 578 H HIS 72 H HIS 72 -1.480 14.351 -14.480 579 HA HIS 72 HA HIS 72 -1.821 15.315 -17.219 580 HB2 HIS 72 1HB HIS 72 -3.891 13.717 -17.290 581 HB3 HIS 72 2HB HIS 72 -2.293 13.093 -17.686 582 HD1 HIS 72 1HD HIS 72 -5.107 12.632 -15.385 583 HD2 HIS 72 2HD HIS 72 -1.103 11.537 -15.556 584 HE1 HIS 72 1HE HIS 72 -4.840 10.792 -13.691 585 HE2 HIS 72 2HE HIS 72 -2.391 10.204 -13.753 586 HA PRO 73 HA PRO 73 -4.411 18.078 -14.872 587 HB2 PRO 73 1HB PRO 73 -5.164 19.609 -16.984 588 HB3 PRO 73 2HB PRO 73 -3.579 19.748 -16.213 589 HG2 PRO 73 1HG PRO 73 -4.347 18.298 -18.718 590 HG3 PRO 73 2HG PRO 73 -2.928 19.315 -18.404 591 HD2 PRO 73 1HD PRO 73 -2.822 16.610 -18.353 592 HD3 PRO 73 2HD PRO 73 -1.802 17.625 -17.313 593 H ASN 74 H ASN 74 -5.307 15.774 -17.157 594 HA ASN 74 HA ASN 74 -7.853 16.261 -17.947 595 HB2 ASN 74 1HB ASN 74 -6.516 13.748 -17.005 596 HB3 ASN 74 2HB ASN 74 -8.228 13.719 -17.419 597 HD21 ASN 74 1HD2 ASN 74 -5.119 14.839 -18.701 598 HD22 ASN 74 2HD2 ASN 74 -5.454 14.425 -20.345 599 H TYR 75 H TYR 75 -6.796 15.443 -14.700 600 HA TYR 75 HA TYR 75 -9.100 14.761 -13.421 601 HB2 TYR 75 1HB TYR 75 -8.168 15.914 -11.405 602 HB3 TYR 75 2HB TYR 75 -7.020 14.856 -12.217 603 HD1 TYR 75 1HD TYR 75 -8.101 18.433 -12.471 604 HD2 TYR 75 2HD TYR 75 -4.872 15.664 -12.348 605 HE1 TYR 75 1HE TYR 75 -6.504 20.297 -12.629 606 HE2 TYR 75 2HE TYR 75 -3.267 17.521 -12.505 607 HH TYR 75 HH TYR 75 -4.348 20.891 -12.497 608 H LYS 76 H LYS 76 -10.363 16.198 -11.842 609 HA LYS 76 HA LYS 76 -11.756 18.161 -13.389 610 HB2 LYS 76 1HB LYS 76 -13.160 18.419 -11.376 611 HB3 LYS 76 2HB LYS 76 -12.975 16.734 -11.847 612 HG2 LYS 76 1HG LYS 76 -11.011 17.718 -9.892 613 HG3 LYS 76 2HG LYS 76 -12.683 17.648 -9.329 614 HD2 LYS 76 1HD LYS 76 -11.619 15.298 -10.802 615 HD3 LYS 76 2HD LYS 76 -11.043 15.564 -9.155 616 HE2 LYS 76 1HE LYS 76 -12.880 14.306 -8.688 617 HE3 LYS 76 2HE LYS 76 -13.638 15.898 -8.711 618 HZ1 LYS 76 3HZ LYS 76 -14.938 15.225 -10.352 619 HZ2 LYS 76 1HZ LYS 76 -14.233 13.687 -10.305 620 HZ3 LYS 76 2HZ LYS 76 -13.598 14.878 -11.324 621 H SER 77 H SER 77 -9.421 18.228 -10.768 622 HA SER 77 HA SER 77 -8.626 20.882 -11.353 623 HB2 SER 77 1HB SER 77 -10.607 20.469 -9.166 624 HB3 SER 77 2HB SER 77 -9.292 21.606 -8.870 625 HG SER 77 HG SER 77 -9.923 22.706 -10.775 626 H GLY 78 H GLY 78 -7.053 21.711 -9.651 627 HA2 GLY 78 1HA GLY 78 -5.894 19.652 -7.956 628 HA3 GLY 78 2HA GLY 78 -4.900 20.165 -9.311 629 HA PRO 79 HA PRO 79 -3.802 22.887 -5.764 630 HB2 PRO 79 1HB PRO 79 -1.147 22.915 -6.329 631 HB3 PRO 79 2HB PRO 79 -1.911 21.644 -5.367 632 HG2 PRO 79 1HG PRO 79 -1.153 21.631 -8.263 633 HG3 PRO 79 2HG PRO 79 -0.947 20.357 -7.047 634 HD2 PRO 79 1HD PRO 79 -2.961 20.332 -8.856 635 HD3 PRO 79 2HD PRO 79 -3.138 19.661 -7.222 636 H SER 80 H SER 80 -4.966 24.540 -6.954 637 HA SER 80 HA SER 80 -3.382 26.020 -8.926 638 HB2 SER 80 1HB SER 80 -5.885 25.347 -9.227 639 HB3 SER 80 2HB SER 80 -6.203 26.718 -8.165 640 HG SER 80 HG SER 80 -5.588 28.068 -9.693 641 H SER 81 H SER 81 -1.903 27.059 -7.598 642 HA SER 81 HA SER 81 -3.013 29.294 -6.065 643 HB2 SER 81 1HB SER 81 -1.484 28.917 -4.206 644 HB3 SER 81 2HB SER 81 -2.481 27.482 -4.451 645 HG SER 81 HG SER 81 -0.043 27.598 -5.795 646 H GLY 82 H GLY 82 -1.697 31.129 -5.973 647 HA2 GLY 82 1HA GLY 82 0.777 31.012 -7.576 648 HA3 GLY 82 2HA GLY 82 -0.438 32.242 -7.893 Start of MODEL 7 1 H1 GLY 1 H GLY 1 11.207 -8.214 -7.133 2 HA2 GLY 1 1HA GLY 1 10.356 -5.772 -8.563 3 HA3 GLY 1 2HA GLY 1 11.868 -5.850 -7.672 4 H SER 2 H SER 2 10.403 -6.246 -10.665 5 HA SER 2 HA SER 2 12.060 -8.233 -11.814 6 HB2 SER 2 1HB SER 2 10.241 -6.111 -12.878 7 HB3 SER 2 2HB SER 2 11.354 -6.908 -13.990 8 HG SER 2 HG SER 2 10.378 -8.891 -12.783 9 H SER 3 H SER 3 14.161 -7.643 -11.043 10 HA SER 3 HA SER 3 16.124 -6.419 -10.990 11 HB2 SER 3 1HB SER 3 16.305 -7.901 -12.954 12 HB3 SER 3 2HB SER 3 15.601 -6.640 -13.965 13 HG SER 3 HG SER 3 17.713 -6.298 -14.212 14 H GLY 4 H GLY 4 14.014 -4.661 -10.554 15 HA2 GLY 4 1HA GLY 4 14.763 -2.215 -10.475 16 HA3 GLY 4 2HA GLY 4 14.691 -2.329 -12.227 17 H SER 5 H SER 5 12.631 -2.671 -13.234 18 HA SER 5 HA SER 5 10.445 -2.130 -13.566 19 HB2 SER 5 1HB SER 5 10.354 -4.070 -11.812 20 HB3 SER 5 2HB SER 5 9.852 -2.797 -10.700 21 HG SER 5 HG SER 5 8.584 -3.033 -13.193 22 H SER 6 H SER 6 12.062 0.023 -12.966 23 HA SER 6 HA SER 6 10.971 1.654 -10.895 24 HB2 SER 6 1HB SER 6 12.622 2.486 -13.293 25 HB3 SER 6 2HB SER 6 12.360 3.431 -11.827 26 HG SER 6 HG SER 6 13.664 2.114 -10.721 27 H GLY 7 H GLY 7 9.320 3.064 -10.939 28 HA2 GLY 7 1HA GLY 7 8.072 4.743 -12.248 29 HA3 GLY 7 2HA GLY 7 8.033 3.565 -13.552 30 H ILE 8 H ILE 8 5.845 4.952 -12.120 31 HA ILE 8 HA ILE 8 4.390 2.554 -11.219 32 HB ILE 8 HB ILE 8 3.981 5.356 -10.172 33 HG12 ILE 8 1HG1 ILE 8 4.774 4.034 -8.008 34 HG13 ILE 8 2HG1 ILE 8 5.607 3.048 -9.205 35 HG21 ILE 8 1HG2 ILE 8 2.905 3.043 -8.716 36 HG22 ILE 8 2HG2 ILE 8 2.181 4.616 -9.047 37 HG23 ILE 8 3HG2 ILE 8 2.157 3.357 -10.282 38 HD11 ILE 8 3HD1 ILE 8 6.795 5.082 -8.100 39 HD12 ILE 8 1HD1 ILE 8 7.017 4.746 -9.817 40 HD13 ILE 8 2HD1 ILE 8 5.897 6.008 -9.302 41 H ARG 9 H ARG 9 2.726 2.065 -12.475 42 HA ARG 9 HA ARG 9 1.895 3.604 -14.657 43 HB2 ARG 9 1HB ARG 9 0.719 1.248 -13.218 44 HB3 ARG 9 2HB ARG 9 -0.180 2.035 -14.508 45 HG2 ARG 9 1HG ARG 9 1.415 1.464 -16.123 46 HG3 ARG 9 2HG ARG 9 2.632 1.075 -14.905 47 HD2 ARG 9 1HD ARG 9 1.964 -1.033 -15.475 48 HD3 ARG 9 2HD ARG 9 0.828 -0.700 -14.168 49 HE ARG 9 HE ARG 9 -0.247 0.110 -16.660 50 HH11 ARG 9 1HH1 ARG 9 0.435 -2.717 -14.746 51 HH12 ARG 9 2HH1 ARG 9 -0.828 -3.664 -15.460 52 HH21 ARG 9 1HH2 ARG 9 -1.913 -1.127 -17.607 53 HH22 ARG 9 2HH2 ARG 9 -2.162 -2.760 -17.088 54 H ARG 10 H ARG 10 0.070 2.919 -11.664 55 HA ARG 10 HA ARG 10 -1.137 5.588 -11.885 56 HB2 ARG 10 1HB ARG 10 -2.518 2.948 -11.739 57 HB3 ARG 10 2HB ARG 10 -3.239 4.312 -10.894 58 HG2 ARG 10 1HG ARG 10 -4.286 4.403 -12.938 59 HG3 ARG 10 2HG ARG 10 -2.953 5.538 -13.163 60 HD2 ARG 10 1HD ARG 10 -1.820 4.140 -14.577 61 HD3 ARG 10 2HD ARG 10 -2.502 2.682 -13.856 62 HE ARG 10 HE ARG 10 -3.494 4.057 -16.112 63 HH11 ARG 10 1HH1 ARG 10 -4.570 2.416 -13.236 64 HH12 ARG 10 2HH1 ARG 10 -6.091 1.944 -13.917 65 HH21 ARG 10 1HH2 ARG 10 -5.494 3.441 -17.020 66 HH22 ARG 10 2HH2 ARG 10 -6.615 2.527 -16.070 67 HA PRO 11 HA PRO 11 -0.271 6.009 -7.603 68 HB2 PRO 11 1HB PRO 11 -2.340 7.564 -6.785 69 HB3 PRO 11 2HB PRO 11 -1.016 8.175 -7.783 70 HG2 PRO 11 1HG PRO 11 -3.759 7.302 -8.603 71 HG3 PRO 11 2HG PRO 11 -2.827 8.712 -9.139 72 HD2 PRO 11 1HD PRO 11 -3.020 6.448 -10.611 73 HD3 PRO 11 2HD PRO 11 -1.572 7.475 -10.625 74 H MET 12 H MET 12 -1.462 5.938 -5.379 75 HA MET 12 HA MET 12 -3.583 3.921 -5.365 76 HB2 MET 12 1HB MET 12 -1.365 3.578 -3.403 77 HB3 MET 12 2HB MET 12 -2.452 2.377 -4.087 78 HG2 MET 12 1HG MET 12 -1.198 2.827 -6.293 79 HG3 MET 12 2HG MET 12 0.028 3.559 -5.261 80 HE1 MET 12 3HE MET 12 1.633 1.496 -3.340 81 HE2 MET 12 1HE MET 12 0.167 2.372 -2.897 82 HE3 MET 12 2HE MET 12 0.252 0.626 -2.669 83 H ASN 13 H ASN 13 -4.775 3.819 -3.385 84 HA ASN 13 HA ASN 13 -4.751 6.372 -1.960 85 HB2 ASN 13 1HB ASN 13 -6.859 4.328 -1.458 86 HB3 ASN 13 2HB ASN 13 -6.996 6.080 -1.571 87 HD21 ASN 13 1HD2 ASN 13 -8.768 4.339 -2.803 88 HD22 ASN 13 2HD2 ASN 13 -8.596 4.486 -4.516 89 H ALA 14 H ALA 14 -5.836 5.856 0.419 90 HA ALA 14 HA ALA 14 -3.718 4.987 1.999 91 HB1 ALA 14 3HB ALA 14 -5.187 6.329 3.145 92 HB2 ALA 14 1HB ALA 14 -6.610 5.501 2.511 93 HB3 ALA 14 2HB ALA 14 -5.634 4.741 3.769 94 H PHE 15 H PHE 15 -6.681 3.254 1.072 95 HA PHE 15 HA PHE 15 -6.093 0.883 2.484 96 HB2 PHE 15 1HB PHE 15 -8.341 1.154 1.844 97 HB3 PHE 15 2HB PHE 15 -7.914 1.522 0.176 98 HD1 PHE 15 2HD PHE 15 -7.227 -0.277 -1.353 99 HD2 PHE 15 1HD PHE 15 -8.591 -1.089 2.596 100 HE1 PHE 15 2HE PHE 15 -7.584 -2.633 -1.964 101 HE2 PHE 15 1HE PHE 15 -8.949 -3.447 1.992 102 HZ PHE 15 HZ PHE 15 -8.446 -4.221 -0.292 103 H MET 16 H MET 16 -5.663 1.735 -0.946 104 HA MET 16 HA MET 16 -4.576 -0.647 -1.844 105 HB2 MET 16 1HB MET 16 -3.940 2.175 -2.718 106 HB3 MET 16 2HB MET 16 -3.472 0.731 -3.605 107 HG2 MET 16 1HG MET 16 -5.836 0.142 -3.870 108 HG3 MET 16 2HG MET 16 -6.287 1.614 -3.013 109 HE1 MET 16 3HE MET 16 -4.006 0.310 -5.763 110 HE2 MET 16 1HE MET 16 -5.527 0.181 -6.648 111 HE3 MET 16 2HE MET 16 -4.314 1.361 -7.145 112 H VAL 17 H VAL 17 -2.875 2.180 -0.513 113 HA VAL 17 HA VAL 17 -0.273 1.188 -0.732 114 HB VAL 17 HB VAL 17 -1.341 3.037 1.406 115 HG11 VAL 17 1HG1 VAL 17 0.911 3.789 1.687 116 HG12 VAL 17 2HG1 VAL 17 0.908 2.029 1.825 117 HG13 VAL 17 3HG1 VAL 17 1.467 2.797 0.338 118 HG21 VAL 17 3HG2 VAL 17 -1.245 3.410 -1.372 119 HG22 VAL 17 1HG2 VAL 17 -1.530 4.631 -0.131 120 HG23 VAL 17 2HG2 VAL 17 0.107 4.330 -0.712 121 H TRP 18 H TRP 18 -2.175 1.377 2.282 122 HA TRP 18 HA TRP 18 -0.574 -0.164 3.885 123 HB2 TRP 18 1HB TRP 18 -2.342 0.862 4.997 124 HB3 TRP 18 2HB TRP 18 -3.535 0.298 3.831 125 HD1 TRP 18 HD TRP 18 -1.745 -0.737 7.020 126 HE1 TRP 18 1HE TRP 18 -2.838 -2.879 7.936 127 HE3 TRP 18 3HE TRP 18 -4.790 -1.850 3.066 128 HZ2 TRP 18 2HZ TRP 18 -4.739 -4.789 7.095 129 HZ3 TRP 18 3HZ TRP 18 -6.214 -3.852 3.202 130 HH2 TRP 18 HH TRP 18 -6.187 -5.290 5.175 131 H ALA 19 H ALA 19 -2.756 -1.216 1.378 132 HA ALA 19 HA ALA 19 -2.838 -3.963 2.120 133 HB1 ALA 19 3HB ALA 19 -4.588 -3.478 0.740 134 HB2 ALA 19 1HB ALA 19 -3.640 -2.375 -0.259 135 HB3 ALA 19 2HB ALA 19 -3.454 -4.119 -0.448 136 H LYS 20 H LYS 20 -0.818 -2.066 -0.074 137 HA LYS 20 HA LYS 20 0.538 -3.895 -1.512 138 HB2 LYS 20 1HB LYS 20 2.277 -2.370 -1.720 139 HB3 LYS 20 2HB LYS 20 0.934 -1.342 -1.238 140 HG2 LYS 20 1HG LYS 20 1.883 -1.853 1.177 141 HG3 LYS 20 2HG LYS 20 3.371 -2.115 0.265 142 HD2 LYS 20 1HD LYS 20 1.708 0.348 -0.146 143 HD3 LYS 20 2HD LYS 20 2.886 0.248 1.165 144 HE2 LYS 20 1HE LYS 20 3.635 -0.385 -1.671 145 HE3 LYS 20 2HE LYS 20 3.635 1.272 -1.069 146 HZ1 LYS 20 3HZ LYS 20 5.729 0.779 -0.490 147 HZ2 LYS 20 1HZ LYS 20 5.472 -0.894 -0.517 148 HZ3 LYS 20 2HZ LYS 20 5.020 0.010 0.840 149 H ASP 21 H ASP 21 0.828 -3.384 1.938 150 HA ASP 21 HA ASP 21 3.007 -5.313 2.138 151 HB2 ASP 21 1HB ASP 21 2.982 -3.181 3.484 152 HB3 ASP 21 2HB ASP 21 1.619 -3.841 4.382 153 H GLU 22 H GLU 22 -0.174 -4.856 3.695 154 HA GLU 22 HA GLU 22 -0.441 -7.253 4.965 155 HB2 GLU 22 1HB GLU 22 -2.091 -5.176 4.593 156 HB3 GLU 22 2HB GLU 22 -2.839 -6.315 3.481 157 HG2 GLU 22 1HG GLU 22 -2.197 -7.296 6.198 158 HG3 GLU 22 2HG GLU 22 -3.523 -6.145 6.039 159 H ARG 23 H ARG 23 -1.592 -6.618 1.647 160 HA ARG 23 HA ARG 23 -2.524 -9.022 0.880 161 HB2 ARG 23 1HB ARG 23 -2.347 -7.035 -0.592 162 HB3 ARG 23 2HB ARG 23 -0.629 -7.357 -0.786 163 HG2 ARG 23 1HG ARG 23 -1.506 -9.711 -1.578 164 HG3 ARG 23 2HG ARG 23 -2.969 -8.787 -1.922 165 HD2 ARG 23 1HD ARG 23 -1.873 -8.541 -3.912 166 HD3 ARG 23 2HD ARG 23 -1.248 -7.137 -3.047 167 HE ARG 23 HE ARG 23 0.360 -9.499 -2.735 168 HH11 ARG 23 1HH1 ARG 23 -0.279 -6.711 -4.720 169 HH12 ARG 23 2HH1 ARG 23 1.305 -6.683 -5.420 170 HH21 ARG 23 1HH2 ARG 23 2.450 -9.473 -3.650 171 HH22 ARG 23 2HH2 ARG 23 2.857 -8.255 -4.811 172 H LYS 24 H LYS 24 0.925 -8.139 0.805 173 HA LYS 24 HA LYS 24 2.080 -10.373 -0.193 174 HB2 LYS 24 1HB LYS 24 3.052 -8.932 2.281 175 HB3 LYS 24 2HB LYS 24 4.031 -9.911 1.196 176 HG2 LYS 24 1HG LYS 24 3.145 -8.192 -0.596 177 HG3 LYS 24 2HG LYS 24 2.950 -7.170 0.830 178 HD2 LYS 24 1HD LYS 24 5.102 -6.648 0.211 179 HD3 LYS 24 2HD LYS 24 5.396 -7.965 1.349 180 HE2 LYS 24 1HE LYS 24 5.421 -9.527 -0.610 181 HE3 LYS 24 2HE LYS 24 5.359 -8.113 -1.661 182 HZ1 LYS 24 3HZ LYS 24 7.416 -7.365 -0.370 183 HZ2 LYS 24 1HZ LYS 24 7.607 -8.605 -1.505 184 HZ3 LYS 24 2HZ LYS 24 7.531 -8.972 0.144 185 H ARG 25 H ARG 25 0.869 -9.981 3.111 186 HA ARG 25 HA ARG 25 1.707 -12.541 4.013 187 HB2 ARG 25 1HB ARG 25 0.733 -11.992 6.017 188 HB3 ARG 25 2HB ARG 25 0.936 -10.386 5.329 189 HG2 ARG 25 1HG ARG 25 -1.489 -10.884 4.390 190 HG3 ARG 25 2HG ARG 25 -1.533 -11.958 5.790 191 HD2 ARG 25 1HD ARG 25 -0.626 -9.115 6.057 192 HD3 ARG 25 2HD ARG 25 -2.342 -9.519 6.056 193 HE ARG 25 HE ARG 25 -0.481 -9.936 8.182 194 HH11 ARG 25 1HH1 ARG 25 -3.383 -11.163 6.700 195 HH12 ARG 25 2HH1 ARG 25 -3.967 -11.905 8.153 196 HH21 ARG 25 1HH2 ARG 25 -1.239 -10.909 10.101 197 HH22 ARG 25 2HH2 ARG 25 -2.747 -11.759 10.087 198 H LEU 26 H LEU 26 -1.160 -11.337 2.414 199 HA LEU 26 HA LEU 26 -2.803 -13.603 2.899 200 HB2 LEU 26 1HB LEU 26 -2.968 -11.638 0.621 201 HB3 LEU 26 2HB LEU 26 -4.254 -12.699 1.194 202 HG LEU 26 HG LEU 26 -3.105 -10.284 2.580 203 HD11 LEU 26 1HD1 LEU 26 -5.793 -10.966 1.418 204 HD12 LEU 26 2HD1 LEU 26 -4.706 -9.659 0.952 205 HD13 LEU 26 3HD1 LEU 26 -5.528 -9.608 2.511 206 HD21 LEU 26 3HD2 LEU 26 -3.471 -12.092 4.202 207 HD22 LEU 26 1HD2 LEU 26 -5.132 -12.254 3.633 208 HD23 LEU 26 2HD2 LEU 26 -4.613 -10.765 4.422 209 H ALA 27 H ALA 27 -0.713 -12.645 0.201 210 HA ALA 27 HA ALA 27 -1.307 -14.726 -1.554 211 HB1 ALA 27 3HB ALA 27 1.289 -14.287 -2.122 212 HB2 ALA 27 1HB ALA 27 -0.022 -13.229 -2.644 213 HB3 ALA 27 2HB ALA 27 0.918 -12.826 -1.207 214 H GLN 28 H GLN 28 1.267 -14.542 0.902 215 HA GLN 28 HA GLN 28 2.277 -17.135 0.450 216 HB2 GLN 28 1HB GLN 28 3.383 -16.867 2.637 217 HB3 GLN 28 2HB GLN 28 3.588 -15.452 1.612 218 HG2 GLN 28 1HG GLN 28 2.273 -14.130 2.930 219 HG3 GLN 28 2HG GLN 28 1.330 -15.487 3.542 220 HE21 GLN 28 1HE2 GLN 28 1.705 -14.364 5.598 221 HE22 GLN 28 2HE2 GLN 28 3.154 -14.709 6.472 222 H GLN 29 H GLN 29 -0.292 -15.906 2.499 223 HA GLN 29 HA GLN 29 -0.654 -18.323 3.975 224 HB2 GLN 29 1HB GLN 29 -2.094 -15.737 3.705 225 HB3 GLN 29 2HB GLN 29 -3.015 -17.110 4.302 226 HG2 GLN 29 1HG GLN 29 -1.440 -17.419 6.114 227 HG3 GLN 29 2HG GLN 29 -0.443 -16.102 5.495 228 HE21 GLN 29 1HE2 GLN 29 -3.735 -16.803 6.594 229 HE22 GLN 29 2HE2 GLN 29 -3.994 -15.273 7.354 230 H ASN 30 H ASN 30 -2.015 -16.974 1.033 231 HA ASN 30 HA ASN 30 -3.396 -19.533 0.583 232 HB2 ASN 30 1HB ASN 30 -4.434 -16.784 -0.143 233 HB3 ASN 30 2HB ASN 30 -5.211 -18.310 -0.555 234 HD21 ASN 30 1HD2 ASN 30 -5.180 -15.808 1.582 235 HD22 ASN 30 2HD2 ASN 30 -5.983 -16.560 2.914 236 HA PRO 31 HA PRO 31 -0.467 -18.788 -2.884 237 HB2 PRO 31 1HB PRO 31 0.170 -21.410 -3.185 238 HB3 PRO 31 2HB PRO 31 0.969 -20.356 -2.013 239 HG2 PRO 31 1HG PRO 31 -1.239 -22.332 -1.587 240 HG3 PRO 31 2HG PRO 31 0.199 -22.030 -0.594 241 HD2 PRO 31 1HD PRO 31 -2.242 -21.045 0.040 242 HD3 PRO 31 2HD PRO 31 -0.737 -20.186 0.424 243 H ASP 32 H ASP 32 -3.433 -20.338 -2.470 244 HA ASP 32 HA ASP 32 -3.618 -21.028 -5.324 245 HB2 ASP 32 1HB ASP 32 -4.906 -22.098 -2.866 246 HB3 ASP 32 2HB ASP 32 -5.870 -22.085 -4.339 247 H LEU 33 H LEU 33 -4.623 -18.784 -2.974 248 HA LEU 33 HA LEU 33 -7.028 -17.984 -4.385 249 HB2 LEU 33 1HB LEU 33 -5.630 -16.937 -1.937 250 HB3 LEU 33 2HB LEU 33 -7.049 -16.160 -2.635 251 HG LEU 33 HG LEU 33 -6.901 -18.914 -1.416 252 HD11 LEU 33 1HD1 LEU 33 -7.005 -16.765 0.013 253 HD12 LEU 33 2HD1 LEU 33 -8.136 -18.074 0.354 254 HD13 LEU 33 3HD1 LEU 33 -8.671 -16.661 -0.556 255 HD21 LEU 33 3HD2 LEU 33 -8.609 -19.453 -2.736 256 HD22 LEU 33 1HD2 LEU 33 -8.733 -17.808 -3.361 257 HD23 LEU 33 2HD2 LEU 33 -9.560 -18.247 -1.867 258 H HIS 34 H HIS 34 -7.346 -15.816 -5.183 259 HA HIS 34 HA HIS 34 -4.844 -14.572 -6.125 260 HB2 HIS 34 1HB HIS 34 -6.183 -13.804 -8.103 261 HB3 HIS 34 2HB HIS 34 -5.967 -15.549 -8.009 262 HD1 HIS 34 1HD HIS 34 -8.544 -12.921 -8.092 263 HD2 HIS 34 2HD HIS 34 -8.333 -16.982 -7.238 264 HE1 HIS 34 1HE HIS 34 -10.922 -13.740 -8.126 265 HE2 HIS 34 2HE HIS 34 -10.776 -16.181 -7.523 266 H ASN 35 H ASN 35 -5.236 -12.217 -6.813 267 HA ASN 35 HA ASN 35 -5.602 -10.565 -4.752 268 HB2 ASN 35 1HB ASN 35 -6.625 -9.980 -7.540 269 HB3 ASN 35 2HB ASN 35 -6.227 -8.777 -6.317 270 HD21 ASN 35 1HD2 ASN 35 -5.148 -9.475 -9.051 271 HD22 ASN 35 2HD2 ASN 35 -3.439 -9.573 -8.815 272 H ALA 36 H ALA 36 -8.301 -10.983 -7.044 273 HA ALA 36 HA ALA 36 -10.340 -9.816 -5.776 274 HB1 ALA 36 3HB ALA 36 -10.123 -11.826 -7.726 275 HB2 ALA 36 1HB ALA 36 -11.313 -12.394 -6.555 276 HB3 ALA 36 2HB ALA 36 -11.530 -10.833 -7.347 277 H GLU 37 H GLU 37 -8.946 -12.923 -4.850 278 HA GLU 37 HA GLU 37 -10.865 -13.370 -2.753 279 HB2 GLU 37 1HB GLU 37 -8.287 -14.748 -3.500 280 HB3 GLU 37 2HB GLU 37 -9.274 -15.239 -2.131 281 HG2 GLU 37 1HG GLU 37 -10.590 -15.007 -4.778 282 HG3 GLU 37 2HG GLU 37 -9.504 -16.368 -4.505 283 H LEU 38 H LEU 38 -7.473 -12.359 -2.939 284 HA LEU 38 HA LEU 38 -6.935 -12.224 -0.207 285 HB2 LEU 38 1HB LEU 38 -5.829 -10.272 -2.199 286 HB3 LEU 38 2HB LEU 38 -5.056 -10.922 -0.755 287 HG LEU 38 HG LEU 38 -5.575 -12.375 -3.346 288 HD11 LEU 38 1HD1 LEU 38 -3.500 -11.833 -3.916 289 HD12 LEU 38 2HD1 LEU 38 -2.870 -12.353 -2.354 290 HD13 LEU 38 3HD1 LEU 38 -3.484 -10.712 -2.555 291 HD21 LEU 38 3HD2 LEU 38 -5.895 -14.005 -1.689 292 HD22 LEU 38 1HD2 LEU 38 -4.607 -13.353 -0.676 293 HD23 LEU 38 2HD2 LEU 38 -4.210 -14.184 -2.180 294 H SER 39 H SER 39 -8.151 -9.699 -2.395 295 HA SER 39 HA SER 39 -8.255 -7.531 -0.760 296 HB2 SER 39 1HB SER 39 -9.217 -8.013 -3.212 297 HB3 SER 39 2HB SER 39 -10.736 -8.056 -2.317 298 HG SER 39 HG SER 39 -9.206 -5.931 -3.004 299 H LYS 40 H LYS 40 -10.834 -9.980 -1.009 300 HA LYS 40 HA LYS 40 -12.681 -9.135 0.739 301 HB2 LYS 40 1HB LYS 40 -11.530 -11.919 0.528 302 HB3 LYS 40 2HB LYS 40 -12.983 -11.544 1.445 303 HG2 LYS 40 1HG LYS 40 -12.891 -10.650 -1.377 304 HG3 LYS 40 2HG LYS 40 -13.055 -12.381 -1.071 305 HD2 LYS 40 1HD LYS 40 -15.031 -12.003 0.262 306 HD3 LYS 40 2HD LYS 40 -14.829 -10.254 0.127 307 HE2 LYS 40 1HE LYS 40 -15.024 -11.851 -2.375 308 HE3 LYS 40 2HE LYS 40 -16.493 -11.591 -1.436 309 HZ1 LYS 40 3HZ LYS 40 -15.554 -9.125 -1.490 310 HZ2 LYS 40 1HZ LYS 40 -16.564 -9.739 -2.701 311 HZ3 LYS 40 2HZ LYS 40 -14.892 -9.682 -2.944 312 H MET 41 H MET 41 -9.469 -10.228 1.580 313 HA MET 41 HA MET 41 -10.057 -10.060 4.433 314 HB2 MET 41 1HB MET 41 -7.403 -10.703 3.152 315 HB3 MET 41 2HB MET 41 -7.914 -11.047 4.799 316 HG2 MET 41 1HG MET 41 -9.413 -12.733 4.075 317 HG3 MET 41 2HG MET 41 -9.227 -12.262 2.388 318 HE1 MET 41 3HE MET 41 -8.185 -13.279 0.936 319 HE2 MET 41 1HE MET 41 -6.576 -14.002 0.962 320 HE3 MET 41 2HE MET 41 -7.988 -14.978 1.367 321 H LEU 42 H LEU 42 -8.263 -8.391 1.921 322 HA LEU 42 HA LEU 42 -6.784 -6.658 3.577 323 HB2 LEU 42 1HB LEU 42 -7.770 -6.293 0.753 324 HB3 LEU 42 2HB LEU 42 -6.604 -5.237 1.550 325 HG LEU 42 HG LEU 42 -6.205 -8.149 0.865 326 HD11 LEU 42 1HD1 LEU 42 -5.068 -7.505 -0.969 327 HD12 LEU 42 2HD1 LEU 42 -4.448 -6.041 -0.207 328 HD13 LEU 42 3HD1 LEU 42 -6.092 -6.075 -0.844 329 HD21 LEU 42 3HD2 LEU 42 -4.343 -6.173 2.180 330 HD22 LEU 42 1HD2 LEU 42 -3.906 -7.794 1.641 331 HD23 LEU 42 2HD2 LEU 42 -5.077 -7.584 2.943 332 H GLY 43 H GLY 43 -10.097 -6.656 2.563 333 HA2 GLY 43 1HA GLY 43 -10.562 -3.873 3.153 334 HA3 GLY 43 2HA GLY 43 -11.783 -5.082 2.785 335 H LYS 44 H LYS 44 -11.573 -6.924 4.696 336 HA LYS 44 HA LYS 44 -12.857 -5.803 6.894 337 HB2 LYS 44 1HB LYS 44 -12.715 -7.952 7.921 338 HB3 LYS 44 2HB LYS 44 -12.898 -8.219 6.193 339 HG2 LYS 44 1HG LYS 44 -10.550 -8.703 5.970 340 HG3 LYS 44 2HG LYS 44 -10.273 -8.300 7.666 341 HD2 LYS 44 1HD LYS 44 -10.364 -10.688 7.459 342 HD3 LYS 44 2HD LYS 44 -11.825 -10.147 8.290 343 HE2 LYS 44 1HE LYS 44 -11.775 -10.567 5.319 344 HE3 LYS 44 2HE LYS 44 -12.060 -11.906 6.430 345 HZ1 LYS 44 3HZ LYS 44 -13.754 -9.970 7.306 346 HZ2 LYS 44 1HZ LYS 44 -14.182 -11.292 6.341 347 HZ3 LYS 44 2HZ LYS 44 -13.828 -9.801 5.625 348 H SER 45 H SER 45 -9.450 -6.575 6.402 349 HA SER 45 HA SER 45 -8.670 -5.952 9.081 350 HB2 SER 45 1HB SER 45 -7.183 -6.455 6.517 351 HB3 SER 45 2HB SER 45 -6.332 -5.870 7.947 352 HG SER 45 HG SER 45 -6.774 -7.720 8.989 353 H TRP 46 H TRP 46 -9.046 -4.154 6.125 354 HA TRP 46 HA TRP 46 -7.498 -1.893 6.853 355 HB2 TRP 46 1HB TRP 46 -8.097 -2.323 4.528 356 HB3 TRP 46 2HB TRP 46 -9.807 -2.141 4.913 357 HD1 TRP 46 HD TRP 46 -10.715 0.128 4.192 358 HE1 TRP 46 1HE TRP 46 -9.775 2.512 3.952 359 HE3 TRP 46 3HE TRP 46 -5.925 -0.726 5.763 360 HZ2 TRP 46 2HZ TRP 46 -7.327 3.853 4.373 361 HZ3 TRP 46 3HZ TRP 46 -4.347 1.161 5.814 362 HH2 TRP 46 HH TRP 46 -5.035 3.403 5.132 363 H LYS 47 H LYS 47 -11.045 -2.034 6.518 364 HA LYS 47 HA LYS 47 -11.700 0.262 7.836 365 HB2 LYS 47 1HB LYS 47 -13.078 -2.339 7.436 366 HB3 LYS 47 2HB LYS 47 -13.766 -1.248 8.631 367 HG2 LYS 47 1HG LYS 47 -14.278 0.366 7.054 368 HG3 LYS 47 2HG LYS 47 -13.109 -0.258 5.888 369 HD2 LYS 47 1HD LYS 47 -15.537 -1.815 6.744 370 HD3 LYS 47 2HD LYS 47 -15.559 -0.691 5.383 371 HE2 LYS 47 1HE LYS 47 -13.420 -2.759 5.489 372 HE3 LYS 47 2HE LYS 47 -15.051 -3.261 5.048 373 HZ1 LYS 47 3HZ LYS 47 -15.044 -1.858 3.187 374 HZ2 LYS 47 1HZ LYS 47 -13.522 -2.596 3.171 375 HZ3 LYS 47 2HZ LYS 47 -13.683 -1.002 3.712 376 H ALA 48 H ALA 48 -10.881 -2.852 9.261 377 HA ALA 48 HA ALA 48 -11.621 -2.365 11.902 378 HB1 ALA 48 3HB ALA 48 -9.807 -4.034 12.460 379 HB2 ALA 48 1HB ALA 48 -11.024 -4.571 11.301 380 HB3 ALA 48 2HB ALA 48 -9.431 -4.065 10.737 381 H LEU 49 H LEU 49 -8.624 -1.574 10.193 382 HA LEU 49 HA LEU 49 -7.051 -0.718 12.287 383 HB2 LEU 49 1HB LEU 49 -7.283 0.372 9.490 384 HB3 LEU 49 2HB LEU 49 -6.017 0.848 10.621 385 HG LEU 49 HG LEU 49 -6.442 -1.991 9.706 386 HD11 LEU 49 1HD1 LEU 49 -5.430 -1.546 7.786 387 HD12 LEU 49 2HD1 LEU 49 -4.090 -0.772 8.630 388 HD13 LEU 49 3HD1 LEU 49 -5.507 0.173 8.171 389 HD21 LEU 49 3HD2 LEU 49 -5.214 -2.019 11.692 390 HD22 LEU 49 1HD2 LEU 49 -4.328 -0.552 11.275 391 HD23 LEU 49 2HD2 LEU 49 -3.983 -2.061 10.429 392 H THR 50 H THR 50 -6.520 1.461 13.012 393 HA THR 50 HA THR 50 -8.944 3.105 13.264 394 HB THR 50 HB THR 50 -7.933 4.067 15.266 395 HG1 THR 50 1HG THR 50 -5.710 2.620 14.359 396 HG21 THR 50 3HG2 THR 50 -8.094 2.169 16.705 397 HG22 THR 50 1HG2 THR 50 -7.675 1.065 15.396 398 HG23 THR 50 2HG2 THR 50 -9.222 1.911 15.374 399 H LEU 51 H LEU 51 -8.462 5.502 13.594 400 HA LEU 51 HA LEU 51 -7.488 6.630 11.286 401 HB2 LEU 51 1HB LEU 51 -8.884 7.814 12.900 402 HB3 LEU 51 2HB LEU 51 -7.541 7.858 14.040 403 HG LEU 51 HG LEU 51 -8.086 9.987 12.721 404 HD11 LEU 51 1HD1 LEU 51 -5.802 9.049 13.863 405 HD12 LEU 51 2HD1 LEU 51 -6.016 10.677 13.221 406 HD13 LEU 51 3HD1 LEU 51 -5.253 9.433 12.232 407 HD21 LEU 51 3HD2 LEU 51 -6.935 10.107 10.523 408 HD22 LEU 51 1HD2 LEU 51 -8.345 9.048 10.527 409 HD23 LEU 51 2HD2 LEU 51 -6.724 8.357 10.582 410 H ALA 52 H ALA 52 -5.777 6.542 14.417 411 HA ALA 52 HA ALA 52 -3.374 7.636 13.611 412 HB1 ALA 52 3HB ALA 52 -4.180 6.911 15.955 413 HB2 ALA 52 1HB ALA 52 -3.432 5.363 15.559 414 HB3 ALA 52 2HB ALA 52 -2.457 6.833 15.586 415 H GLU 53 H GLU 53 -4.597 4.392 13.126 416 HA GLU 53 HA GLU 53 -2.103 3.272 12.287 417 HB2 GLU 53 1HB GLU 53 -4.957 2.376 12.245 418 HB3 GLU 53 2HB GLU 53 -3.771 1.508 11.280 419 HG2 GLU 53 1HG GLU 53 -3.313 2.029 14.191 420 HG3 GLU 53 2HG GLU 53 -4.289 0.666 13.645 421 H LYS 54 H LYS 54 -4.846 4.766 10.678 422 HA LYS 54 HA LYS 54 -3.800 4.188 8.038 423 HB2 LYS 54 1HB LYS 54 -6.131 5.941 8.834 424 HB3 LYS 54 2HB LYS 54 -5.765 5.364 7.213 425 HG2 LYS 54 1HG LYS 54 -6.155 3.066 7.939 426 HG3 LYS 54 2HG LYS 54 -6.516 3.642 9.568 427 HD2 LYS 54 1HD LYS 54 -8.511 4.637 8.909 428 HD3 LYS 54 2HD LYS 54 -8.031 4.701 7.211 429 HE2 LYS 54 1HE LYS 54 -9.490 2.950 7.124 430 HE3 LYS 54 2HE LYS 54 -8.006 2.072 7.493 431 HZ1 LYS 54 3HZ LYS 54 -8.795 2.544 9.937 432 HZ2 LYS 54 1HZ LYS 54 -9.382 1.217 9.068 433 HZ3 LYS 54 2HZ LYS 54 -10.316 2.620 9.202 434 H ARG 55 H ARG 55 -3.228 6.483 10.405 435 HA ARG 55 HA ARG 55 -2.984 8.886 9.040 436 HB2 ARG 55 1HB ARG 55 -2.540 8.146 11.577 437 HB3 ARG 55 2HB ARG 55 -0.873 8.221 11.021 438 HG2 ARG 55 1HG ARG 55 -1.279 10.335 11.900 439 HG3 ARG 55 2HG ARG 55 -1.459 10.555 10.158 440 HD2 ARG 55 1HD ARG 55 -3.970 10.054 10.632 441 HD3 ARG 55 2HD ARG 55 -3.554 10.488 12.290 442 HE ARG 55 HE ARG 55 -3.863 12.265 10.077 443 HH11 ARG 55 1HH1 ARG 55 -2.169 11.780 13.079 444 HH12 ARG 55 2HH1 ARG 55 -1.907 13.471 13.355 445 HH21 ARG 55 1HH2 ARG 55 -3.525 14.493 10.429 446 HH22 ARG 55 2HH2 ARG 55 -2.680 15.013 11.848 447 HA PRO 56 HA PRO 56 1.556 7.569 7.945 448 HB2 PRO 56 1HB PRO 56 2.098 4.912 8.071 449 HB3 PRO 56 2HB PRO 56 2.336 6.007 9.438 450 HG2 PRO 56 1HG PRO 56 0.061 4.144 8.878 451 HG3 PRO 56 2HG PRO 56 0.903 4.454 10.408 452 HD2 PRO 56 1HD PRO 56 -1.493 5.566 9.812 453 HD3 PRO 56 2HD PRO 56 -0.280 6.391 10.811 454 H PHE 57 H PHE 57 -1.085 5.354 7.206 455 HA PHE 57 HA PHE 57 -0.069 4.893 4.517 456 HB2 PHE 57 1HB PHE 57 -2.649 3.893 5.732 457 HB3 PHE 57 2HB PHE 57 -1.844 3.283 4.290 458 HD1 PHE 57 1HD PHE 57 0.645 2.474 4.710 459 HD2 PHE 57 2HD PHE 57 -2.384 2.731 7.689 460 HE1 PHE 57 1HE PHE 57 1.860 0.832 6.081 461 HE2 PHE 57 2HE PHE 57 -1.173 1.090 9.066 462 HZ PHE 57 HZ PHE 57 0.952 0.139 8.263 463 H VAL 58 H VAL 58 -2.001 7.136 6.092 464 HA VAL 58 HA VAL 58 -3.688 7.693 3.775 465 HB VAL 58 HB VAL 58 -3.638 8.743 6.590 466 HG11 VAL 58 1HG1 VAL 58 -3.930 10.694 5.186 467 HG12 VAL 58 2HG1 VAL 58 -5.197 9.877 4.269 468 HG13 VAL 58 3HG1 VAL 58 -5.457 10.284 5.966 469 HG21 VAL 58 3HG2 VAL 58 -4.918 6.623 5.527 470 HG22 VAL 58 1HG2 VAL 58 -5.536 7.558 6.889 471 HG23 VAL 58 2HG2 VAL 58 -6.125 7.881 5.258 472 H GLU 59 H GLU 59 -1.062 9.129 5.641 473 HA GLU 59 HA GLU 59 -1.033 11.570 4.137 474 HB2 GLU 59 1HB GLU 59 1.149 10.440 5.893 475 HB3 GLU 59 2HB GLU 59 0.958 12.113 5.390 476 HG2 GLU 59 1HG GLU 59 -1.266 10.848 6.890 477 HG3 GLU 59 2HG GLU 59 0.201 11.271 7.771 478 H GLU 60 H GLU 60 0.011 8.442 3.507 479 HA GLU 60 HA GLU 60 2.246 9.234 1.818 480 HB2 GLU 60 1HB GLU 60 2.731 7.245 2.937 481 HB3 GLU 60 2HB GLU 60 1.108 6.608 2.712 482 HG2 GLU 60 1HG GLU 60 1.542 5.846 0.614 483 HG3 GLU 60 2HG GLU 60 2.752 7.087 0.292 484 H ALA 61 H ALA 61 -0.736 7.324 1.373 485 HA ALA 61 HA ALA 61 -0.736 7.144 -1.369 486 HB1 ALA 61 3HB ALA 61 -2.584 6.662 0.710 487 HB2 ALA 61 1HB ALA 61 -3.423 7.598 -0.528 488 HB3 ALA 61 2HB ALA 61 -2.635 6.078 -0.953 489 H GLU 62 H GLU 62 -1.912 9.813 0.636 490 HA GLU 62 HA GLU 62 -3.155 11.363 -1.283 491 HB2 GLU 62 1HB GLU 62 -3.257 11.962 1.050 492 HB3 GLU 62 2HB GLU 62 -1.518 12.218 1.107 493 HG2 GLU 62 1HG GLU 62 -2.175 14.370 0.921 494 HG3 GLU 62 2HG GLU 62 -2.096 13.971 -0.794 495 H ARG 63 H ARG 63 0.239 11.679 -0.221 496 HA ARG 63 HA ARG 63 1.098 13.584 -1.990 497 HB2 ARG 63 1HB ARG 63 2.654 11.152 -1.092 498 HB3 ARG 63 2HB ARG 63 3.348 12.627 -1.752 499 HG2 ARG 63 1HG ARG 63 2.938 13.838 0.156 500 HG3 ARG 63 2HG ARG 63 1.614 12.788 0.665 501 HD2 ARG 63 1HD ARG 63 3.043 11.179 1.514 502 HD3 ARG 63 2HD ARG 63 4.396 11.710 0.515 503 HE ARG 63 HE ARG 63 3.984 13.824 2.139 504 HH11 ARG 63 1HH1 ARG 63 4.392 10.418 2.733 505 HH12 ARG 63 2HH1 ARG 63 5.124 10.644 4.287 506 HH21 ARG 63 1HH2 ARG 63 4.947 14.134 4.183 507 HH22 ARG 63 2HH2 ARG 63 5.439 12.758 5.111 508 H LEU 64 H LEU 64 0.824 10.100 -2.553 509 HA LEU 64 HA LEU 64 1.952 10.098 -5.140 510 HB2 LEU 64 1HB LEU 64 -0.160 8.171 -4.238 511 HB3 LEU 64 2HB LEU 64 1.195 7.890 -5.331 512 HG LEU 64 HG LEU 64 1.319 8.215 -2.335 513 HD11 LEU 64 1HD1 LEU 64 2.527 5.842 -3.236 514 HD12 LEU 64 2HD1 LEU 64 0.974 5.962 -4.062 515 HD13 LEU 64 3HD1 LEU 64 1.042 6.018 -2.301 516 HD21 LEU 64 3HD2 LEU 64 3.780 7.413 -3.002 517 HD22 LEU 64 1HD2 LEU 64 3.337 9.113 -2.836 518 HD23 LEU 64 2HD2 LEU 64 3.397 8.369 -4.435 519 H ARG 65 H ARG 65 -1.413 10.277 -4.023 520 HA ARG 65 HA ARG 65 -2.656 10.268 -6.522 521 HB2 ARG 65 1HB ARG 65 -3.987 9.981 -4.559 522 HB3 ARG 65 2HB ARG 65 -3.464 11.527 -3.903 523 HG2 ARG 65 1HG ARG 65 -4.574 12.439 -6.120 524 HG3 ARG 65 2HG ARG 65 -5.486 10.934 -5.989 525 HD2 ARG 65 1HD ARG 65 -5.726 11.748 -3.474 526 HD3 ARG 65 2HD ARG 65 -5.486 13.324 -4.227 527 HE ARG 65 HE ARG 65 -7.602 13.186 -5.066 528 HH11 ARG 65 1HH1 ARG 65 -6.532 9.986 -4.205 529 HH12 ARG 65 2HH1 ARG 65 -8.065 9.246 -4.527 530 HH21 ARG 65 1HH2 ARG 65 -9.625 12.222 -5.493 531 HH22 ARG 65 2HH2 ARG 65 -9.823 10.518 -5.261 532 H VAL 66 H VAL 66 -1.906 13.103 -4.485 533 HA VAL 66 HA VAL 66 -2.597 15.064 -6.330 534 HB VAL 66 HB VAL 66 -1.104 16.577 -5.071 535 HG11 VAL 66 1HG1 VAL 66 -2.889 16.717 -3.755 536 HG12 VAL 66 2HG1 VAL 66 -3.273 15.014 -4.014 537 HG13 VAL 66 3HG1 VAL 66 -2.165 15.483 -2.724 538 HG21 VAL 66 3HG2 VAL 66 0.155 15.717 -3.151 539 HG22 VAL 66 1HG2 VAL 66 -0.288 14.071 -3.602 540 HG23 VAL 66 2HG2 VAL 66 0.738 15.031 -4.668 541 H GLN 67 H GLN 67 0.284 13.115 -6.092 542 HA GLN 67 HA GLN 67 1.861 14.723 -7.863 543 HB2 GLN 67 1HB GLN 67 2.163 11.975 -6.688 544 HB3 GLN 67 2HB GLN 67 3.263 12.545 -7.935 545 HG2 GLN 67 1HG GLN 67 4.098 14.259 -6.571 546 HG3 GLN 67 2HG GLN 67 2.770 14.103 -5.422 547 HE21 GLN 67 1HE2 GLN 67 3.493 13.346 -3.575 548 HE22 GLN 67 2HE2 GLN 67 4.647 12.076 -3.373 549 H HIS 68 H HIS 68 -0.676 12.536 -8.299 550 HA HIS 68 HA HIS 68 0.164 11.788 -10.998 551 HB2 HIS 68 1HB HIS 68 -0.719 9.926 -9.868 552 HB3 HIS 68 2HB HIS 68 -2.040 10.861 -9.172 553 HD1 HIS 68 1HD HIS 68 -1.116 8.836 -12.110 554 HD2 HIS 68 2HD HIS 68 -4.171 11.426 -11.005 555 HE1 HIS 68 1HE HIS 68 -2.958 8.454 -13.779 556 HE2 HIS 68 2HE HIS 68 -4.761 10.093 -13.141 557 H MET 69 H MET 69 -2.276 13.667 -9.300 558 HA MET 69 HA MET 69 -3.701 14.338 -11.716 559 HB2 MET 69 1HB MET 69 -4.719 16.077 -9.987 560 HB3 MET 69 2HB MET 69 -5.188 14.383 -9.979 561 HG2 MET 69 1HG MET 69 -4.095 13.940 -8.036 562 HG3 MET 69 2HG MET 69 -2.874 15.180 -8.310 563 HE1 MET 69 3HE MET 69 -6.758 14.722 -7.585 564 HE2 MET 69 1HE MET 69 -5.758 14.139 -6.254 565 HE3 MET 69 2HE MET 69 -6.783 15.557 -6.031 566 H GLN 70 H GLN 70 -1.126 15.675 -9.811 567 HA GLN 70 HA GLN 70 -1.247 18.354 -10.602 568 HB2 GLN 70 1HB GLN 70 1.030 18.531 -9.885 569 HB3 GLN 70 2HB GLN 70 0.216 17.411 -8.801 570 HG2 GLN 70 1HG GLN 70 1.235 15.533 -9.858 571 HG3 GLN 70 2HG GLN 70 1.894 16.547 -11.140 572 HE21 GLN 70 1HE2 GLN 70 3.985 16.829 -10.935 573 HE22 GLN 70 2HE2 GLN 70 4.856 17.004 -9.453 574 H ASP 71 H ASP 71 0.081 15.528 -12.204 575 HA ASP 71 HA ASP 71 1.539 16.849 -14.215 576 HB2 ASP 71 1HB ASP 71 1.510 14.340 -13.550 577 HB3 ASP 71 2HB ASP 71 0.160 14.219 -14.675 578 H HIS 72 H HIS 72 -1.853 16.206 -13.833 579 HA HIS 72 HA HIS 72 -2.419 17.822 -16.181 580 HB2 HIS 72 1HB HIS 72 -4.190 16.063 -16.860 581 HB3 HIS 72 2HB HIS 72 -2.510 15.771 -17.301 582 HD1 HIS 72 1HD HIS 72 -5.250 14.504 -15.109 583 HD2 HIS 72 2HD HIS 72 -1.281 13.624 -15.969 584 HE1 HIS 72 1HE HIS 72 -4.826 12.244 -14.092 585 HE2 HIS 72 2HE HIS 72 -2.396 11.770 -14.551 586 HA PRO 73 HA PRO 73 -5.329 19.252 -13.121 587 HB2 PRO 73 1HB PRO 73 -6.346 21.263 -14.635 588 HB3 PRO 73 2HB PRO 73 -4.784 21.373 -13.816 589 HG2 PRO 73 1HG PRO 73 -5.382 20.730 -16.678 590 HG3 PRO 73 2HG PRO 73 -4.123 21.785 -16.008 591 HD2 PRO 73 1HD PRO 73 -3.616 19.260 -16.844 592 HD3 PRO 73 2HD PRO 73 -2.735 20.015 -15.501 593 H ASN 74 H ASN 74 -5.904 17.585 -15.936 594 HA ASN 74 HA ASN 74 -8.583 17.994 -16.529 595 HB2 ASN 74 1HB ASN 74 -6.826 15.555 -16.712 596 HB3 ASN 74 2HB ASN 74 -8.512 15.512 -17.220 597 HD21 ASN 74 1HD2 ASN 74 -5.451 17.182 -17.729 598 HD22 ASN 74 2HD2 ASN 74 -5.750 17.604 -19.378 599 H TYR 75 H TYR 75 -7.194 16.714 -13.703 600 HA TYR 75 HA TYR 75 -9.336 15.008 -12.904 601 HB2 TYR 75 1HB TYR 75 -8.201 14.793 -10.840 602 HB3 TYR 75 2HB TYR 75 -6.933 14.959 -12.050 603 HD1 TYR 75 2HD TYR 75 -5.974 17.338 -12.402 604 HD2 TYR 75 1HD TYR 75 -8.215 16.185 -8.975 605 HE1 TYR 75 2HE TYR 75 -5.020 19.228 -11.150 606 HE2 TYR 75 1HE TYR 75 -7.269 18.072 -7.713 607 HH TYR 75 HH TYR 75 -6.253 20.446 -8.440 608 H LYS 76 H LYS 76 -8.328 18.263 -11.858 609 HA LYS 76 HA LYS 76 -10.967 19.253 -11.709 610 HB2 LYS 76 1HB LYS 76 -9.810 18.057 -9.247 611 HB3 LYS 76 2HB LYS 76 -10.659 19.587 -9.069 612 HG2 LYS 76 1HG LYS 76 -12.473 18.286 -10.520 613 HG3 LYS 76 2HG LYS 76 -11.699 16.903 -9.743 614 HD2 LYS 76 1HD LYS 76 -13.429 17.484 -8.281 615 HD3 LYS 76 2HD LYS 76 -11.994 18.213 -7.557 616 HE2 LYS 76 1HE LYS 76 -12.604 20.349 -8.707 617 HE3 LYS 76 2HE LYS 76 -14.116 19.586 -9.200 618 HZ1 LYS 76 3HZ LYS 76 -14.979 19.802 -7.161 619 HZ2 LYS 76 1HZ LYS 76 -13.780 20.973 -6.928 620 HZ3 LYS 76 2HZ LYS 76 -13.537 19.393 -6.377 621 H SER 77 H SER 77 -10.390 21.169 -12.541 622 HA SER 77 HA SER 77 -8.503 22.803 -10.994 623 HB2 SER 77 1HB SER 77 -8.351 22.075 -13.871 624 HB3 SER 77 2HB SER 77 -7.972 23.745 -13.452 625 HG SER 77 HG SER 77 -6.071 22.768 -13.191 626 H GLY 78 H GLY 78 -10.008 24.136 -10.101 627 HA2 GLY 78 1HA GLY 78 -11.827 25.580 -9.996 628 HA3 GLY 78 2HA GLY 78 -10.871 26.412 -11.213 629 HA PRO 79 HA PRO 79 -14.010 23.771 -13.745 630 HB2 PRO 79 1HB PRO 79 -15.816 22.297 -12.354 631 HB3 PRO 79 2HB PRO 79 -14.234 21.673 -12.836 632 HG2 PRO 79 1HG PRO 79 -15.112 22.769 -10.192 633 HG3 PRO 79 2HG PRO 79 -14.116 21.342 -10.537 634 HD2 PRO 79 1HD PRO 79 -13.053 23.708 -9.760 635 HD3 PRO 79 2HD PRO 79 -12.209 22.596 -10.856 636 H SER 80 H SER 80 -14.828 25.466 -10.858 637 HA SER 80 HA SER 80 -17.308 26.439 -12.122 638 HB2 SER 80 1HB SER 80 -17.669 25.144 -10.017 639 HB3 SER 80 2HB SER 80 -16.703 26.343 -9.157 640 HG SER 80 HG SER 80 -18.351 27.648 -9.163 641 H SER 81 H SER 81 -14.804 27.407 -9.774 642 HA SER 81 HA SER 81 -14.335 29.878 -11.155 643 HB2 SER 81 1HB SER 81 -15.848 29.859 -8.549 644 HB3 SER 81 2HB SER 81 -14.892 31.253 -9.053 645 HG SER 81 HG SER 81 -16.180 31.062 -11.083 646 H GLY 82 H GLY 82 -12.598 31.138 -10.170 647 HA2 GLY 82 1HA GLY 82 -11.039 29.672 -8.153 648 HA3 GLY 82 2HA GLY 82 -10.282 30.083 -9.685 Start of MODEL 8 1 H1 GLY 1 H GLY 1 10.909 -14.007 -9.525 2 HA2 GLY 1 1HA GLY 1 10.052 -14.670 -6.955 3 HA3 GLY 1 2HA GLY 1 11.246 -15.871 -7.425 4 H SER 2 H SER 2 13.043 -14.371 -8.853 5 HA SER 2 HA SER 2 14.364 -12.948 -6.712 6 HB2 SER 2 1HB SER 2 15.314 -13.339 -9.557 7 HB3 SER 2 2HB SER 2 16.295 -12.911 -8.155 8 HG SER 2 HG SER 2 15.156 -15.090 -7.429 9 H SER 3 H SER 3 13.277 -12.182 -10.013 10 HA SER 3 HA SER 3 14.005 -9.623 -10.357 11 HB2 SER 3 1HB SER 3 11.218 -10.695 -10.863 12 HB3 SER 3 2HB SER 3 11.898 -9.239 -11.591 13 HG SER 3 HG SER 3 12.914 -11.875 -11.885 14 H GLY 4 H GLY 4 13.096 -7.539 -9.919 15 HA2 GLY 4 1HA GLY 4 11.064 -7.232 -7.910 16 HA3 GLY 4 2HA GLY 4 12.678 -6.914 -7.294 17 H SER 5 H SER 5 10.210 -5.873 -9.554 18 HA SER 5 HA SER 5 11.683 -3.562 -10.426 19 HB2 SER 5 1HB SER 5 9.585 -2.948 -11.580 20 HB3 SER 5 2HB SER 5 10.054 -4.614 -11.919 21 HG SER 5 HG SER 5 7.812 -3.665 -10.727 22 H SER 6 H SER 6 11.037 -1.362 -10.055 23 HA SER 6 HA SER 6 9.587 -0.959 -7.523 24 HB2 SER 6 1HB SER 6 12.221 0.186 -8.413 25 HB3 SER 6 2HB SER 6 11.214 1.048 -7.251 26 HG SER 6 HG SER 6 11.467 -0.564 -5.810 27 H GLY 7 H GLY 7 7.682 -0.269 -8.416 28 HA2 GLY 7 1HA GLY 7 7.045 2.263 -8.868 29 HA3 GLY 7 2HA GLY 7 7.730 1.841 -10.431 30 H ILE 8 H ILE 8 5.016 2.660 -9.827 31 HA ILE 8 HA ILE 8 3.631 0.302 -10.902 32 HB ILE 8 HB ILE 8 2.280 2.155 -8.957 33 HG12 ILE 8 1HG1 ILE 8 3.364 -0.545 -8.191 34 HG13 ILE 8 2HG1 ILE 8 4.341 0.909 -8.016 35 HG21 ILE 8 1HG2 ILE 8 1.633 -0.422 -10.300 36 HG22 ILE 8 2HG2 ILE 8 0.954 -0.099 -8.705 37 HG23 ILE 8 3HG2 ILE 8 0.624 1.002 -10.042 38 HD11 ILE 8 3HD1 ILE 8 2.160 -0.086 -6.380 39 HD12 ILE 8 1HD1 ILE 8 3.437 1.067 -5.994 40 HD13 ILE 8 2HD1 ILE 8 1.976 1.612 -6.819 41 H ARG 9 H ARG 9 2.061 0.711 -12.426 42 HA ARG 9 HA ARG 9 2.299 3.077 -13.934 43 HB2 ARG 9 1HB ARG 9 1.457 0.696 -14.606 44 HB3 ARG 9 2HB ARG 9 -0.116 1.311 -14.118 45 HG2 ARG 9 1HG ARG 9 -0.084 2.988 -15.782 46 HG3 ARG 9 2HG ARG 9 1.626 2.715 -16.120 47 HD2 ARG 9 1HD ARG 9 -0.278 0.451 -16.453 48 HD3 ARG 9 2HD ARG 9 -0.257 1.722 -17.674 49 HE ARG 9 HE ARG 9 2.355 0.723 -17.063 50 HH11 ARG 9 1HH1 ARG 9 -0.527 0.162 -18.932 51 HH12 ARG 9 2HH1 ARG 9 0.289 -0.750 -20.159 52 HH21 ARG 9 1HH2 ARG 9 3.441 -0.475 -18.671 53 HH22 ARG 9 2HH2 ARG 9 2.546 -1.113 -20.009 54 H ARG 10 H ARG 10 -0.028 2.040 -11.503 55 HA ARG 10 HA ARG 10 -1.264 4.712 -11.637 56 HB2 ARG 10 1HB ARG 10 -2.430 2.001 -11.232 57 HB3 ARG 10 2HB ARG 10 -3.163 3.345 -10.368 58 HG2 ARG 10 1HG ARG 10 -4.363 3.051 -12.394 59 HG3 ARG 10 2HG ARG 10 -3.400 4.520 -12.560 60 HD2 ARG 10 1HD ARG 10 -3.120 3.388 -14.594 61 HD3 ARG 10 2HD ARG 10 -1.651 3.043 -13.682 62 HE ARG 10 HE ARG 10 -3.251 0.951 -13.079 63 HH11 ARG 10 1HH1 ARG 10 -2.249 2.404 -16.080 64 HH12 ARG 10 2HH1 ARG 10 -2.328 0.922 -16.974 65 HH21 ARG 10 1HH2 ARG 10 -3.359 -1.006 -14.246 66 HH22 ARG 10 2HH2 ARG 10 -2.961 -1.016 -15.931 67 HA PRO 11 HA PRO 11 -0.032 5.467 -7.492 68 HB2 PRO 11 1HB PRO 11 -2.098 6.982 -6.595 69 HB3 PRO 11 2HB PRO 11 -0.897 7.580 -7.746 70 HG2 PRO 11 1HG PRO 11 -3.654 6.532 -8.259 71 HG3 PRO 11 2HG PRO 11 -2.843 7.941 -8.967 72 HD2 PRO 11 1HD PRO 11 -3.048 5.573 -10.265 73 HD3 PRO 11 2HD PRO 11 -1.660 6.660 -10.475 74 H MET 12 H MET 12 -1.283 5.671 -5.187 75 HA MET 12 HA MET 12 -3.153 3.453 -4.869 76 HB2 MET 12 1HB MET 12 -0.867 3.528 -2.961 77 HB3 MET 12 2HB MET 12 -1.850 2.165 -3.481 78 HG2 MET 12 1HG MET 12 -0.664 2.624 -5.785 79 HG3 MET 12 2HG MET 12 0.549 3.371 -4.747 80 HE1 MET 12 3HE MET 12 2.198 1.285 -2.843 81 HE2 MET 12 1HE MET 12 0.789 2.258 -2.420 82 HE3 MET 12 2HE MET 12 0.783 0.520 -2.118 83 H ASN 13 H ASN 13 -4.428 3.575 -3.015 84 HA ASN 13 HA ASN 13 -4.422 6.207 -1.734 85 HB2 ASN 13 1HB ASN 13 -6.610 4.248 -1.243 86 HB3 ASN 13 2HB ASN 13 -6.691 5.995 -1.455 87 HD21 ASN 13 1HD2 ASN 13 -8.387 4.095 -2.684 88 HD22 ASN 13 2HD2 ASN 13 -8.144 4.200 -4.392 89 H ALA 14 H ALA 14 -5.640 5.841 0.607 90 HA ALA 14 HA ALA 14 -3.638 5.014 2.343 91 HB1 ALA 14 3HB ALA 14 -5.615 4.888 4.026 92 HB2 ALA 14 1HB ALA 14 -5.182 6.437 3.302 93 HB3 ALA 14 2HB ALA 14 -6.562 5.529 2.683 94 H PHE 15 H PHE 15 -6.473 3.242 1.173 95 HA PHE 15 HA PHE 15 -6.007 0.930 2.766 96 HB2 PHE 15 1HB PHE 15 -8.221 1.178 2.021 97 HB3 PHE 15 2HB PHE 15 -7.722 1.505 0.364 98 HD1 PHE 15 2HD PHE 15 -6.856 -0.359 -1.044 99 HD2 PHE 15 1HD PHE 15 -8.629 -1.017 2.769 100 HE1 PHE 15 2HE PHE 15 -7.192 -2.728 -1.613 101 HE2 PHE 15 1HE PHE 15 -8.968 -3.388 2.206 102 HZ PHE 15 HZ PHE 15 -8.250 -4.247 0.012 103 H MET 16 H MET 16 -5.341 1.723 -0.632 104 HA MET 16 HA MET 16 -4.244 -0.722 -1.400 105 HB2 MET 16 1HB MET 16 -3.508 2.044 -2.374 106 HB3 MET 16 2HB MET 16 -3.130 0.538 -3.200 107 HG2 MET 16 1HG MET 16 -5.619 0.110 -3.277 108 HG3 MET 16 2HG MET 16 -5.825 1.779 -2.750 109 HE1 MET 16 3HE MET 16 -4.679 -0.694 -5.196 110 HE2 MET 16 1HE MET 16 -4.767 0.097 -6.770 111 HE3 MET 16 2HE MET 16 -3.298 0.222 -5.802 112 H VAL 17 H VAL 17 -2.584 2.189 -0.191 113 HA VAL 17 HA VAL 17 0.019 1.245 -0.246 114 HB VAL 17 HB VAL 17 -1.238 3.116 1.765 115 HG11 VAL 17 1HG1 VAL 17 0.890 2.131 2.553 116 HG12 VAL 17 2HG1 VAL 17 1.682 2.753 1.103 117 HG13 VAL 17 3HG1 VAL 17 0.993 3.871 2.281 118 HG21 VAL 17 3HG2 VAL 17 0.390 4.536 0.018 119 HG22 VAL 17 1HG2 VAL 17 -0.471 3.391 -1.011 120 HG23 VAL 17 2HG2 VAL 17 -1.373 4.500 0.023 121 H TRP 18 H TRP 18 -2.012 1.382 2.686 122 HA TRP 18 HA TRP 18 -0.418 -0.129 4.341 123 HB2 TRP 18 1HB TRP 18 -2.205 0.880 5.426 124 HB3 TRP 18 2HB TRP 18 -3.373 0.340 4.222 125 HD1 TRP 18 HD TRP 18 -1.669 -0.752 7.440 126 HE1 TRP 18 1HE TRP 18 -2.806 -2.893 8.304 127 HE3 TRP 18 3HE TRP 18 -4.634 -1.781 3.405 128 HZ2 TRP 18 2HZ TRP 18 -4.708 -4.771 7.395 129 HZ3 TRP 18 3HZ TRP 18 -6.082 -3.769 3.482 130 HH2 TRP 18 HH TRP 18 -6.116 -5.232 5.436 131 H ALA 19 H ALA 19 -2.529 -1.197 1.783 132 HA ALA 19 HA ALA 19 -2.572 -3.952 2.545 133 HB1 ALA 19 3HB ALA 19 -3.234 -4.107 -0.018 134 HB2 ALA 19 1HB ALA 19 -4.360 -3.518 1.205 135 HB3 ALA 19 2HB ALA 19 -3.472 -2.373 0.199 136 H LYS 20 H LYS 20 -0.581 -1.975 0.421 137 HA LYS 20 HA LYS 20 0.769 -3.728 -1.118 138 HB2 LYS 20 1HB LYS 20 2.473 -2.177 -1.282 139 HB3 LYS 20 2HB LYS 20 1.165 -1.180 -0.658 140 HG2 LYS 20 1HG LYS 20 2.210 -1.891 1.663 141 HG3 LYS 20 2HG LYS 20 3.653 -2.100 0.669 142 HD2 LYS 20 1HD LYS 20 2.024 0.409 0.499 143 HD3 LYS 20 2HD LYS 20 3.221 0.195 1.778 144 HE2 LYS 20 1HE LYS 20 3.905 -0.222 -1.115 145 HE3 LYS 20 2HE LYS 20 3.961 1.376 -0.372 146 HZ1 LYS 20 3HZ LYS 20 5.879 0.896 0.610 147 HZ2 LYS 20 1HZ LYS 20 5.959 -0.490 -0.357 148 HZ3 LYS 20 2HZ LYS 20 5.312 -0.583 1.203 149 H ASP 21 H ASP 21 1.055 -3.409 2.354 150 HA ASP 21 HA ASP 21 3.259 -5.308 2.465 151 HB2 ASP 21 1HB ASP 21 3.065 -3.253 3.966 152 HB3 ASP 21 2HB ASP 21 1.785 -4.118 4.813 153 H GLU 22 H GLU 22 -0.072 -5.059 3.701 154 HA GLU 22 HA GLU 22 -0.226 -7.621 4.808 155 HB2 GLU 22 1HB GLU 22 -2.195 -5.587 3.902 156 HB3 GLU 22 2HB GLU 22 -2.787 -7.224 4.146 157 HG2 GLU 22 1HG GLU 22 -3.057 -5.763 6.118 158 HG3 GLU 22 2HG GLU 22 -2.095 -7.206 6.433 159 H ARG 23 H ARG 23 -1.514 -6.520 1.666 160 HA ARG 23 HA ARG 23 -2.475 -8.786 0.593 161 HB2 ARG 23 1HB ARG 23 -2.236 -6.532 -0.534 162 HB3 ARG 23 2HB ARG 23 -0.599 -7.008 -0.964 163 HG2 ARG 23 1HG ARG 23 -1.667 -9.048 -2.064 164 HG3 ARG 23 2HG ARG 23 -3.193 -8.177 -1.903 165 HD2 ARG 23 1HD ARG 23 -2.401 -6.386 -3.261 166 HD3 ARG 23 2HD ARG 23 -0.756 -7.020 -3.239 167 HE ARG 23 HE ARG 23 -2.177 -9.024 -4.371 168 HH11 ARG 23 1HH1 ARG 23 -1.898 -5.616 -5.027 169 HH12 ARG 23 2HH1 ARG 23 -2.190 -5.787 -6.727 170 HH21 ARG 23 1HH2 ARG 23 -2.562 -9.262 -6.607 171 HH22 ARG 23 2HH2 ARG 23 -2.568 -7.861 -7.624 172 H LYS 24 H LYS 24 0.969 -7.943 0.723 173 HA LYS 24 HA LYS 24 2.063 -10.033 -0.686 174 HB2 LYS 24 1HB LYS 24 3.177 -8.899 1.885 175 HB3 LYS 24 2HB LYS 24 4.086 -9.716 0.620 176 HG2 LYS 24 1HG LYS 24 2.533 -7.307 -0.139 177 HG3 LYS 24 2HG LYS 24 3.997 -7.079 0.822 178 HD2 LYS 24 1HD LYS 24 4.935 -7.017 -1.250 179 HD3 LYS 24 2HD LYS 24 4.970 -8.764 -0.998 180 HE2 LYS 24 1HE LYS 24 4.093 -8.404 -3.172 181 HE3 LYS 24 2HE LYS 24 2.735 -8.865 -2.148 182 HZ1 LYS 24 3HZ LYS 24 3.415 -6.177 -3.179 183 HZ2 LYS 24 1HZ LYS 24 2.343 -6.394 -1.889 184 HZ3 LYS 24 2HZ LYS 24 1.988 -7.056 -3.404 185 H ARG 25 H ARG 25 1.132 -9.998 2.741 186 HA ARG 25 HA ARG 25 1.972 -12.629 3.315 187 HB2 ARG 25 1HB ARG 25 1.069 -12.303 5.397 188 HB3 ARG 25 2HB ARG 25 1.209 -10.631 4.871 189 HG2 ARG 25 1HG ARG 25 -1.227 -11.025 3.993 190 HG3 ARG 25 2HG ARG 25 -1.217 -12.324 5.188 191 HD2 ARG 25 1HD ARG 25 -0.458 -10.626 6.876 192 HD3 ARG 25 2HD ARG 25 -0.756 -9.385 5.659 193 HE ARG 25 HE ARG 25 -3.088 -10.837 5.838 194 HH11 ARG 25 1HH1 ARG 25 -1.115 -8.943 7.991 195 HH12 ARG 25 2HH1 ARG 25 -2.444 -8.451 8.987 196 HH21 ARG 25 1HH2 ARG 25 -4.847 -10.197 7.142 197 HH22 ARG 25 2HH2 ARG 25 -4.567 -9.166 8.504 198 H LEU 26 H LEU 26 -0.989 -11.314 1.984 199 HA LEU 26 HA LEU 26 -2.577 -13.642 2.277 200 HB2 LEU 26 1HB LEU 26 -2.847 -11.484 0.192 201 HB3 LEU 26 2HB LEU 26 -4.101 -12.597 0.735 202 HG LEU 26 HG LEU 26 -2.906 -10.281 2.244 203 HD11 LEU 26 1HD1 LEU 26 -5.458 -9.824 2.405 204 HD12 LEU 26 2HD1 LEU 26 -5.557 -10.910 1.019 205 HD13 LEU 26 3HD1 LEU 26 -4.593 -9.436 0.917 206 HD21 LEU 26 3HD2 LEU 26 -3.113 -12.139 3.787 207 HD22 LEU 26 1HD2 LEU 26 -4.768 -12.431 3.250 208 HD23 LEU 26 2HD2 LEU 26 -4.369 -10.942 4.108 209 H ALA 27 H ALA 27 -0.603 -12.391 -0.391 210 HA ALA 27 HA ALA 27 -1.223 -14.278 -2.330 211 HB1 ALA 27 3HB ALA 27 0.059 -12.692 -3.285 212 HB2 ALA 27 1HB ALA 27 1.015 -12.434 -1.824 213 HB3 ALA 27 2HB ALA 27 1.373 -13.798 -2.884 214 H GLN 28 H GLN 28 1.382 -14.380 0.096 215 HA GLN 28 HA GLN 28 2.351 -16.926 -0.655 216 HB2 GLN 28 1HB GLN 28 3.515 -16.891 1.525 217 HB3 GLN 28 2HB GLN 28 3.732 -15.398 0.621 218 HG2 GLN 28 1HG GLN 28 2.379 -14.182 2.051 219 HG3 GLN 28 2HG GLN 28 1.571 -15.621 2.670 220 HE21 GLN 28 1HE2 GLN 28 2.097 -14.462 4.716 221 HE22 GLN 28 2HE2 GLN 28 3.621 -14.803 5.455 222 H GLN 29 H GLN 29 -0.103 -15.869 1.630 223 HA GLN 29 HA GLN 29 -0.470 -18.419 2.851 224 HB2 GLN 29 1HB GLN 29 -1.870 -15.797 2.897 225 HB3 GLN 29 2HB GLN 29 -2.793 -17.211 3.390 226 HG2 GLN 29 1HG GLN 29 -0.718 -17.682 4.898 227 HG3 GLN 29 2HG GLN 29 -0.411 -15.962 4.669 228 HE21 GLN 29 1HE2 GLN 29 -2.781 -14.797 4.750 229 HE22 GLN 29 2HE2 GLN 29 -3.585 -15.087 6.251 230 H ASN 30 H ASN 30 -1.818 -16.803 0.060 231 HA ASN 30 HA ASN 30 -3.276 -19.270 -0.590 232 HB2 ASN 30 1HB ASN 30 -4.335 -16.459 -0.965 233 HB3 ASN 30 2HB ASN 30 -5.134 -17.935 -1.500 234 HD21 ASN 30 1HD2 ASN 30 -5.040 -15.669 0.868 235 HD22 ASN 30 2HD2 ASN 30 -5.769 -16.562 2.154 236 HA PRO 31 HA PRO 31 -0.484 -18.107 -4.062 237 HB2 PRO 31 1HB PRO 31 0.179 -20.670 -4.665 238 HB3 PRO 31 2HB PRO 31 1.010 -19.730 -3.419 239 HG2 PRO 31 1HG PRO 31 -1.149 -21.783 -3.120 240 HG3 PRO 31 2HG PRO 31 0.324 -21.559 -2.158 241 HD2 PRO 31 1HD PRO 31 -2.104 -20.694 -1.327 242 HD3 PRO 31 2HD PRO 31 -0.597 -19.851 -0.914 243 H ASP 32 H ASP 32 -3.410 -19.737 -3.701 244 HA ASP 32 HA ASP 32 -3.699 -20.133 -6.601 245 HB2 ASP 32 1HB ASP 32 -4.873 -21.475 -4.220 246 HB3 ASP 32 2HB ASP 32 -5.898 -21.324 -5.645 247 H LEU 33 H LEU 33 -4.661 -18.182 -3.977 248 HA LEU 33 HA LEU 33 -7.122 -17.274 -5.211 249 HB2 LEU 33 1HB LEU 33 -5.645 -16.443 -2.724 250 HB3 LEU 33 2HB LEU 33 -7.124 -15.660 -3.278 251 HG LEU 33 HG LEU 33 -6.824 -18.521 -2.372 252 HD11 LEU 33 1HD1 LEU 33 -6.898 -16.538 -0.710 253 HD12 LEU 33 2HD1 LEU 33 -7.955 -17.924 -0.445 254 HD13 LEU 33 3HD1 LEU 33 -8.602 -16.446 -1.157 255 HD21 LEU 33 3HD2 LEU 33 -9.525 -17.850 -2.601 256 HD22 LEU 33 1HD2 LEU 33 -8.613 -18.975 -3.608 257 HD23 LEU 33 2HD2 LEU 33 -8.775 -17.288 -4.096 258 H HIS 34 H HIS 34 -7.501 -15.042 -5.764 259 HA HIS 34 HA HIS 34 -5.056 -13.656 -6.653 260 HB2 HIS 34 1HB HIS 34 -6.493 -12.707 -8.488 261 HB3 HIS 34 2HB HIS 34 -6.211 -14.442 -8.598 262 HD1 HIS 34 1HD HIS 34 -8.880 -11.931 -8.356 263 HD2 HIS 34 2HD HIS 34 -8.497 -16.039 -7.863 264 HE1 HIS 34 1HE HIS 34 -11.227 -12.834 -8.392 265 HE2 HIS 34 2HE HIS 34 -10.975 -15.310 -8.007 266 H ASN 35 H ASN 35 -5.535 -11.248 -7.094 267 HA ASN 35 HA ASN 35 -5.831 -9.812 -4.874 268 HB2 ASN 35 1HB ASN 35 -5.471 -8.999 -7.298 269 HB3 ASN 35 2HB ASN 35 -7.223 -8.826 -7.354 270 HD21 ASN 35 1HD2 ASN 35 -4.426 -7.232 -6.789 271 HD22 ASN 35 2HD2 ASN 35 -5.014 -5.943 -5.800 272 H ALA 36 H ALA 36 -8.657 -10.049 -7.033 273 HA ALA 36 HA ALA 36 -10.640 -9.098 -5.532 274 HB1 ALA 36 3HB ALA 36 -12.114 -10.238 -6.842 275 HB2 ALA 36 1HB ALA 36 -10.645 -10.489 -7.785 276 HB3 ALA 36 2HB ALA 36 -11.230 -11.759 -6.709 277 H GLU 37 H GLU 37 -9.140 -12.257 -5.034 278 HA GLU 37 HA GLU 37 -10.907 -12.970 -2.882 279 HB2 GLU 37 1HB GLU 37 -8.338 -14.183 -3.901 280 HB3 GLU 37 2HB GLU 37 -9.249 -14.848 -2.553 281 HG2 GLU 37 1HG GLU 37 -10.693 -14.366 -5.097 282 HG3 GLU 37 2HG GLU 37 -9.561 -15.715 -5.027 283 H LEU 38 H LEU 38 -7.585 -11.784 -3.165 284 HA LEU 38 HA LEU 38 -6.900 -11.924 -0.450 285 HB2 LEU 38 1HB LEU 38 -5.904 -9.782 -2.298 286 HB3 LEU 38 2HB LEU 38 -5.056 -10.570 -0.968 287 HG LEU 38 HG LEU 38 -5.702 -11.754 -3.666 288 HD11 LEU 38 1HD1 LEU 38 -2.973 -11.922 -3.009 289 HD12 LEU 38 2HD1 LEU 38 -3.482 -10.275 -2.637 290 HD13 LEU 38 3HD1 LEU 38 -3.732 -10.930 -4.255 291 HD21 LEU 38 3HD2 LEU 38 -4.263 -13.657 -2.747 292 HD22 LEU 38 1HD2 LEU 38 -5.934 -13.557 -2.193 293 HD23 LEU 38 2HD2 LEU 38 -4.626 -12.994 -1.153 294 H SER 39 H SER 39 -8.247 -9.238 -2.350 295 HA SER 39 HA SER 39 -8.293 -7.220 -0.530 296 HB2 SER 39 1HB SER 39 -9.355 -7.487 -2.965 297 HB3 SER 39 2HB SER 39 -10.835 -7.658 -2.021 298 HG SER 39 HG SER 39 -10.728 -5.617 -1.466 299 H LYS 40 H LYS 40 -10.866 -9.664 -0.875 300 HA LYS 40 HA LYS 40 -12.632 -9.002 1.025 301 HB2 LYS 40 1HB LYS 40 -11.471 -11.730 0.471 302 HB3 LYS 40 2HB LYS 40 -12.839 -11.485 1.548 303 HG2 LYS 40 1HG LYS 40 -13.014 -10.309 -1.165 304 HG3 LYS 40 2HG LYS 40 -13.133 -12.065 -1.022 305 HD2 LYS 40 1HD LYS 40 -14.879 -11.624 0.789 306 HD3 LYS 40 2HD LYS 40 -14.900 -9.961 0.199 307 HE2 LYS 40 1HE LYS 40 -15.816 -10.553 -1.833 308 HE3 LYS 40 2HE LYS 40 -15.217 -12.209 -1.739 309 HZ1 LYS 40 3HZ LYS 40 -16.900 -12.804 -0.254 310 HZ2 LYS 40 1HZ LYS 40 -17.690 -11.847 -1.404 311 HZ3 LYS 40 2HZ LYS 40 -17.295 -11.199 0.107 312 H MET 41 H MET 41 -9.368 -10.088 1.614 313 HA MET 41 HA MET 41 -9.824 -10.180 4.498 314 HB2 MET 41 1HB MET 41 -7.246 -10.714 3.022 315 HB3 MET 41 2HB MET 41 -7.645 -11.163 4.675 316 HG2 MET 41 1HG MET 41 -9.249 -12.772 3.913 317 HG3 MET 41 2HG MET 41 -9.049 -12.242 2.245 318 HE1 MET 41 3HE MET 41 -6.460 -14.195 0.800 319 HE2 MET 41 1HE MET 41 -8.045 -14.884 1.154 320 HE3 MET 41 2HE MET 41 -7.901 -13.180 0.726 321 H LEU 42 H LEU 42 -8.149 -8.304 2.049 322 HA LEU 42 HA LEU 42 -6.645 -6.687 3.826 323 HB2 LEU 42 1HB LEU 42 -7.585 -6.141 1.014 324 HB3 LEU 42 2HB LEU 42 -6.392 -5.181 1.887 325 HG LEU 42 HG LEU 42 -6.052 -8.082 1.132 326 HD11 LEU 42 1HD1 LEU 42 -4.456 -7.242 -0.529 327 HD12 LEU 42 2HD1 LEU 42 -4.917 -5.588 -0.127 328 HD13 LEU 42 3HD1 LEU 42 -6.097 -6.682 -0.849 329 HD21 LEU 42 3HD2 LEU 42 -4.783 -6.622 3.101 330 HD22 LEU 42 1HD2 LEU 42 -3.683 -6.511 1.727 331 HD23 LEU 42 2HD2 LEU 42 -4.176 -8.091 2.336 332 H GLY 43 H GLY 43 -9.942 -6.644 2.786 333 HA2 GLY 43 1HA GLY 43 -10.414 -3.887 3.493 334 HA3 GLY 43 2HA GLY 43 -11.630 -5.075 3.047 335 H LYS 44 H LYS 44 -11.382 -7.021 4.884 336 HA LYS 44 HA LYS 44 -12.769 -6.080 7.085 337 HB2 LYS 44 1HB LYS 44 -12.445 -8.237 8.074 338 HB3 LYS 44 2HB LYS 44 -12.607 -8.466 6.337 339 HG2 LYS 44 1HG LYS 44 -10.274 -8.830 6.083 340 HG3 LYS 44 2HG LYS 44 -9.952 -8.321 7.742 341 HD2 LYS 44 1HD LYS 44 -11.110 -10.253 8.607 342 HD3 LYS 44 2HD LYS 44 -11.604 -10.728 6.980 343 HE2 LYS 44 1HE LYS 44 -9.280 -11.090 6.361 344 HE3 LYS 44 2HE LYS 44 -8.754 -10.551 7.955 345 HZ1 LYS 44 3HZ LYS 44 -10.451 -12.489 8.620 346 HZ2 LYS 44 1HZ LYS 44 -8.796 -12.744 8.381 347 HZ3 LYS 44 2HZ LYS 44 -9.893 -13.093 7.142 348 H SER 45 H SER 45 -9.301 -6.488 6.642 349 HA SER 45 HA SER 45 -8.668 -5.852 9.373 350 HB2 SER 45 1HB SER 45 -7.074 -6.339 6.880 351 HB3 SER 45 2HB SER 45 -6.296 -5.606 8.283 352 HG SER 45 HG SER 45 -7.492 -7.553 9.350 353 H TRP 46 H TRP 46 -8.963 -4.115 6.359 354 HA TRP 46 HA TRP 46 -7.619 -1.752 7.155 355 HB2 TRP 46 1HB TRP 46 -8.071 -2.299 4.797 356 HB3 TRP 46 2HB TRP 46 -9.799 -2.109 5.086 357 HD1 TRP 46 HD TRP 46 -10.701 0.166 4.370 358 HE1 TRP 46 1HE TRP 46 -9.736 2.535 4.081 359 HE3 TRP 46 3HE TRP 46 -5.920 -0.705 5.958 360 HZ2 TRP 46 2HZ TRP 46 -7.274 3.859 4.473 361 HZ3 TRP 46 3HZ TRP 46 -4.322 1.166 5.970 362 HH2 TRP 46 HH TRP 46 -4.987 3.400 5.242 363 H LYS 47 H LYS 47 -11.122 -2.156 6.615 364 HA LYS 47 HA LYS 47 -12.045 0.110 7.796 365 HB2 LYS 47 1HB LYS 47 -13.154 -2.632 7.502 366 HB3 LYS 47 2HB LYS 47 -13.991 -1.545 8.602 367 HG2 LYS 47 1HG LYS 47 -14.511 -0.032 6.894 368 HG3 LYS 47 2HG LYS 47 -13.325 -0.737 5.792 369 HD2 LYS 47 1HD LYS 47 -15.692 -2.287 6.810 370 HD3 LYS 47 2HD LYS 47 -15.778 -1.283 5.361 371 HE2 LYS 47 1HE LYS 47 -14.220 -2.607 4.217 372 HE3 LYS 47 2HE LYS 47 -13.650 -3.372 5.700 373 HZ1 LYS 47 3HZ LYS 47 -16.319 -3.769 4.458 374 HZ2 LYS 47 1HZ LYS 47 -15.789 -4.491 5.894 375 HZ3 LYS 47 2HZ LYS 47 -15.038 -4.873 4.428 376 H ALA 48 H ALA 48 -11.003 -2.833 9.427 377 HA ALA 48 HA ALA 48 -11.881 -2.215 12.015 378 HB1 ALA 48 3HB ALA 48 -10.797 -4.384 10.987 379 HB2 ALA 48 1HB ALA 48 -9.319 -3.683 11.646 380 HB3 ALA 48 2HB ALA 48 -10.681 -4.033 12.712 381 H LEU 49 H LEU 49 -8.790 -1.526 10.405 382 HA LEU 49 HA LEU 49 -7.335 -0.445 12.445 383 HB2 LEU 49 1HB LEU 49 -7.545 0.455 9.582 384 HB3 LEU 49 2HB LEU 49 -6.339 1.080 10.705 385 HG LEU 49 HG LEU 49 -6.586 -1.829 9.951 386 HD11 LEU 49 1HD1 LEU 49 -6.037 -0.470 7.988 387 HD12 LEU 49 2HD1 LEU 49 -4.677 -1.471 8.494 388 HD13 LEU 49 3HD1 LEU 49 -4.691 0.252 8.869 389 HD21 LEU 49 3HD2 LEU 49 -5.029 -2.199 11.490 390 HD22 LEU 49 1HD2 LEU 49 -5.226 -0.532 12.030 391 HD23 LEU 49 2HD2 LEU 49 -4.001 -0.928 10.824 392 H THR 50 H THR 50 -6.995 1.675 13.248 393 HA THR 50 HA THR 50 -9.448 3.276 13.288 394 HB THR 50 HB THR 50 -8.415 4.416 15.247 395 HG1 THR 50 1HG THR 50 -6.201 3.538 14.410 396 HG21 THR 50 3HG2 THR 50 -9.917 2.461 15.507 397 HG22 THR 50 1HG2 THR 50 -8.730 2.591 16.805 398 HG23 THR 50 2HG2 THR 50 -8.502 1.409 15.515 399 H LEU 51 H LEU 51 -8.943 5.725 13.665 400 HA LEU 51 HA LEU 51 -7.997 6.803 11.298 401 HB2 LEU 51 1HB LEU 51 -9.452 7.959 12.929 402 HB3 LEU 51 2HB LEU 51 -8.060 8.154 13.993 403 HG LEU 51 HG LEU 51 -8.810 10.153 12.559 404 HD11 LEU 51 1HD1 LEU 51 -6.793 11.002 12.995 405 HD12 LEU 51 2HD1 LEU 51 -5.973 9.808 11.990 406 HD13 LEU 51 3HD1 LEU 51 -6.407 9.411 13.652 407 HD21 LEU 51 3HD2 LEU 51 -9.054 8.992 10.448 408 HD22 LEU 51 1HD2 LEU 51 -7.356 8.514 10.485 409 HD23 LEU 51 2HD2 LEU 51 -7.790 10.216 10.318 410 H ALA 52 H ALA 52 -6.333 6.733 14.451 411 HA ALA 52 HA ALA 52 -3.943 7.902 13.666 412 HB1 ALA 52 3HB ALA 52 -4.785 7.187 16.010 413 HB2 ALA 52 1HB ALA 52 -3.964 5.667 15.653 414 HB3 ALA 52 2HB ALA 52 -3.053 7.178 15.676 415 H GLU 53 H GLU 53 -5.133 4.675 13.125 416 HA GLU 53 HA GLU 53 -2.601 3.545 12.406 417 HB2 GLU 53 1HB GLU 53 -5.450 2.652 12.265 418 HB3 GLU 53 2HB GLU 53 -4.243 1.791 11.321 419 HG2 GLU 53 1HG GLU 53 -3.851 2.280 14.246 420 HG3 GLU 53 2HG GLU 53 -4.823 0.929 13.666 421 H LYS 54 H LYS 54 -5.273 5.043 10.685 422 HA LYS 54 HA LYS 54 -4.132 4.457 8.089 423 HB2 LYS 54 1HB LYS 54 -6.443 6.288 8.744 424 HB3 LYS 54 2HB LYS 54 -6.053 5.591 7.178 425 HG2 LYS 54 1HG LYS 54 -6.615 3.391 7.952 426 HG3 LYS 54 2HG LYS 54 -6.836 3.983 9.600 427 HD2 LYS 54 1HD LYS 54 -8.833 5.018 9.102 428 HD3 LYS 54 2HD LYS 54 -8.437 5.194 7.391 429 HE2 LYS 54 1HE LYS 54 -8.873 2.905 6.964 430 HE3 LYS 54 2HE LYS 54 -8.929 2.522 8.684 431 HZ1 LYS 54 3HZ LYS 54 -10.881 4.223 8.652 432 HZ2 LYS 54 1HZ LYS 54 -11.141 2.623 8.169 433 HZ3 LYS 54 2HZ LYS 54 -10.948 3.836 7.007 434 H ARG 55 H ARG 55 -3.677 6.783 10.475 435 HA ARG 55 HA ARG 55 -3.311 9.152 9.071 436 HB2 ARG 55 1HB ARG 55 -3.093 8.493 11.652 437 HB3 ARG 55 2HB ARG 55 -1.383 8.510 11.242 438 HG2 ARG 55 1HG ARG 55 -1.783 10.662 12.003 439 HG3 ARG 55 2HG ARG 55 -1.855 10.830 10.247 440 HD2 ARG 55 1HD ARG 55 -4.403 10.389 10.599 441 HD3 ARG 55 2HD ARG 55 -4.066 10.888 12.256 442 HE ARG 55 HE ARG 55 -2.957 12.843 10.697 443 HH11 ARG 55 1HH1 ARG 55 -6.127 11.446 11.042 444 HH12 ARG 55 2HH1 ARG 55 -6.959 12.900 10.601 445 HH21 ARG 55 1HH2 ARG 55 -4.041 14.764 10.114 446 HH22 ARG 55 2HH2 ARG 55 -5.771 14.787 10.072 447 HA PRO 56 HA PRO 56 1.289 7.762 8.387 448 HB2 PRO 56 1HB PRO 56 1.779 5.101 8.609 449 HB3 PRO 56 2HB PRO 56 1.920 6.221 9.969 450 HG2 PRO 56 1HG PRO 56 -0.328 4.376 9.259 451 HG3 PRO 56 2HG PRO 56 0.389 4.707 10.847 452 HD2 PRO 56 1HD PRO 56 -1.933 5.837 10.033 453 HD3 PRO 56 2HD PRO 56 -0.794 6.667 11.113 454 H PHE 57 H PHE 57 -1.323 5.583 7.471 455 HA PHE 57 HA PHE 57 -0.093 5.044 4.887 456 HB2 PHE 57 1HB PHE 57 -2.795 4.117 5.868 457 HB3 PHE 57 2HB PHE 57 -1.843 3.443 4.549 458 HD1 PHE 57 1HD PHE 57 0.614 2.696 5.327 459 HD2 PHE 57 2HD PHE 57 -2.817 2.949 7.833 460 HE1 PHE 57 1HE PHE 57 1.639 1.092 6.886 461 HE2 PHE 57 2HE PHE 57 -1.798 1.346 9.396 462 HZ PHE 57 HZ PHE 57 0.433 0.416 8.925 463 H VAL 58 H VAL 58 -2.165 7.316 6.263 464 HA VAL 58 HA VAL 58 -3.617 7.864 3.795 465 HB VAL 58 HB VAL 58 -3.796 8.968 6.585 466 HG11 VAL 58 1HG1 VAL 58 -5.558 10.499 5.761 467 HG12 VAL 58 2HG1 VAL 58 -3.953 10.899 5.147 468 HG13 VAL 58 3HG1 VAL 58 -5.115 10.073 4.108 469 HG21 VAL 58 3HG2 VAL 58 -5.721 7.799 6.745 470 HG22 VAL 58 1HG2 VAL 58 -6.171 8.106 5.068 471 HG23 VAL 58 2HG2 VAL 58 -5.005 6.839 5.451 472 H GLU 59 H GLU 59 -1.130 9.288 5.847 473 HA GLU 59 HA GLU 59 -0.949 11.734 4.391 474 HB2 GLU 59 1HB GLU 59 1.088 10.446 6.216 475 HB3 GLU 59 2HB GLU 59 1.090 12.121 5.684 476 HG2 GLU 59 1HG GLU 59 -1.308 11.089 7.103 477 HG3 GLU 59 2HG GLU 59 0.150 11.426 8.035 478 H GLU 60 H GLU 60 0.100 8.577 3.769 479 HA GLU 60 HA GLU 60 2.338 9.392 2.094 480 HB2 GLU 60 1HB GLU 60 2.865 7.424 3.217 481 HB3 GLU 60 2HB GLU 60 1.247 6.763 3.027 482 HG2 GLU 60 1HG GLU 60 1.662 5.959 0.944 483 HG3 GLU 60 2HG GLU 60 2.838 7.218 0.570 484 H ALA 61 H ALA 61 -0.493 7.279 1.584 485 HA ALA 61 HA ALA 61 -0.546 7.029 -1.088 486 HB1 ALA 61 3HB ALA 61 -3.212 7.669 -0.459 487 HB2 ALA 61 1HB ALA 61 -2.471 6.071 -0.548 488 HB3 ALA 61 2HB ALA 61 -2.513 6.941 0.987 489 H GLU 62 H GLU 62 -2.156 9.763 0.555 490 HA GLU 62 HA GLU 62 -3.042 11.257 -1.482 491 HB2 GLU 62 1HB GLU 62 -3.286 12.111 0.717 492 HB3 GLU 62 2HB GLU 62 -1.547 12.166 0.970 493 HG2 GLU 62 1HG GLU 62 -1.288 14.084 -0.277 494 HG3 GLU 62 2HG GLU 62 -2.777 13.822 -1.183 495 H ARG 63 H ARG 63 0.270 11.747 -0.243 496 HA ARG 63 HA ARG 63 1.262 13.414 -2.143 497 HB2 ARG 63 1HB ARG 63 2.752 11.059 -0.971 498 HB3 ARG 63 2HB ARG 63 3.479 12.493 -1.682 499 HG2 ARG 63 1HG ARG 63 2.964 13.818 0.118 500 HG3 ARG 63 2HG ARG 63 1.600 12.809 0.605 501 HD2 ARG 63 1HD ARG 63 3.360 12.520 2.204 502 HD3 ARG 63 2HD ARG 63 3.224 11.040 1.255 503 HE ARG 63 HE ARG 63 5.138 12.529 -0.019 504 HH11 ARG 63 1HH1 ARG 63 4.694 11.266 3.195 505 HH12 ARG 63 2HH1 ARG 63 6.391 11.095 3.502 506 HH21 ARG 63 1HH2 ARG 63 7.374 12.308 0.374 507 HH22 ARG 63 2HH2 ARG 63 7.914 11.689 1.897 508 H LEU 64 H LEU 64 0.712 9.962 -2.458 509 HA LEU 64 HA LEU 64 2.013 9.775 -5.019 510 HB2 LEU 64 1HB LEU 64 0.067 7.760 -3.970 511 HB3 LEU 64 2HB LEU 64 1.491 7.511 -4.978 512 HG LEU 64 HG LEU 64 1.479 8.160 -2.031 513 HD11 LEU 64 1HD1 LEU 64 1.302 5.972 -1.733 514 HD12 LEU 64 2HD1 LEU 64 2.817 5.756 -2.609 515 HD13 LEU 64 3HD1 LEU 64 1.283 5.700 -3.476 516 HD21 LEU 64 3HD2 LEU 64 3.475 9.072 -2.568 517 HD22 LEU 64 1HD2 LEU 64 3.597 8.184 -4.087 518 HD23 LEU 64 2HD2 LEU 64 3.993 7.385 -2.566 519 H ARG 65 H ARG 65 -1.373 9.427 -3.944 520 HA ARG 65 HA ARG 65 -2.592 9.233 -6.402 521 HB2 ARG 65 1HB ARG 65 -4.139 8.935 -4.762 522 HB3 ARG 65 2HB ARG 65 -3.427 10.162 -3.722 523 HG2 ARG 65 1HG ARG 65 -4.749 11.116 -6.186 524 HG3 ARG 65 2HG ARG 65 -5.789 10.458 -4.921 525 HD2 ARG 65 1HD ARG 65 -3.685 12.374 -4.092 526 HD3 ARG 65 2HD ARG 65 -5.051 13.022 -5.000 527 HE ARG 65 HE ARG 65 -5.776 11.338 -2.772 528 HH11 ARG 65 1HH1 ARG 65 -5.072 14.573 -3.847 529 HH12 ARG 65 2HH1 ARG 65 -5.939 15.332 -2.553 530 HH21 ARG 65 1HH2 ARG 65 -6.920 12.324 -1.063 531 HH22 ARG 65 2HH2 ARG 65 -6.989 14.052 -0.969 532 H VAL 66 H VAL 66 -1.412 12.104 -4.761 533 HA VAL 66 HA VAL 66 -2.593 13.960 -6.594 534 HB VAL 66 HB VAL 66 -1.242 15.654 -5.505 535 HG11 VAL 66 1HG1 VAL 66 -1.967 13.996 -3.167 536 HG12 VAL 66 2HG1 VAL 66 -2.422 15.653 -3.572 537 HG13 VAL 66 3HG1 VAL 66 -3.241 14.297 -4.349 538 HG21 VAL 66 3HG2 VAL 66 0.420 15.130 -3.834 539 HG22 VAL 66 1HG2 VAL 66 0.104 13.404 -4.016 540 HG23 VAL 66 2HG2 VAL 66 0.832 14.312 -5.341 541 H GLN 67 H GLN 67 0.343 12.119 -6.484 542 HA GLN 67 HA GLN 67 1.820 13.705 -8.339 543 HB2 GLN 67 1HB GLN 67 2.129 10.979 -7.151 544 HB3 GLN 67 2HB GLN 67 3.095 11.410 -8.556 545 HG2 GLN 67 1HG GLN 67 4.174 13.158 -7.405 546 HG3 GLN 67 2HG GLN 67 3.012 13.103 -6.081 547 HE21 GLN 67 1HE2 GLN 67 4.341 12.668 -4.416 548 HE22 GLN 67 2HE2 GLN 67 5.309 11.243 -4.283 549 H HIS 68 H HIS 68 -0.664 11.352 -8.631 550 HA HIS 68 HA HIS 68 -0.040 10.667 -11.375 551 HB2 HIS 68 1HB HIS 68 -1.027 8.948 -9.986 552 HB3 HIS 68 2HB HIS 68 -2.399 9.986 -9.610 553 HD1 HIS 68 1HD HIS 68 -0.862 8.177 -12.563 554 HD2 HIS 68 2HD HIS 68 -4.499 9.767 -11.337 555 HE1 HIS 68 1HE HIS 68 -2.527 7.473 -14.312 556 HE2 HIS 68 2HE HIS 68 -4.703 8.518 -13.593 557 H MET 69 H MET 69 -2.521 12.525 -9.646 558 HA MET 69 HA MET 69 -3.942 13.307 -11.972 559 HB2 MET 69 1HB MET 69 -3.855 14.757 -9.324 560 HB3 MET 69 2HB MET 69 -5.125 14.836 -10.538 561 HG2 MET 69 1HG MET 69 -5.200 12.228 -10.084 562 HG3 MET 69 2HG MET 69 -4.537 12.738 -8.534 563 HE1 MET 69 3HE MET 69 -5.433 14.408 -7.083 564 HE2 MET 69 1HE MET 69 -7.145 14.762 -6.847 565 HE3 MET 69 2HE MET 69 -6.521 13.150 -6.497 566 H GLN 70 H GLN 70 -1.451 14.900 -10.010 567 HA GLN 70 HA GLN 70 -1.400 17.358 -11.312 568 HB2 GLN 70 1HB GLN 70 0.742 17.701 -10.331 569 HB3 GLN 70 2HB GLN 70 -0.190 16.739 -9.191 570 HG2 GLN 70 1HG GLN 70 0.949 14.718 -9.978 571 HG3 GLN 70 2HG GLN 70 1.900 15.700 -11.091 572 HE21 GLN 70 1HE2 GLN 70 3.809 16.337 -10.402 573 HE22 GLN 70 2HE2 GLN 70 4.315 16.439 -8.753 574 H ASP 71 H ASP 71 -0.090 14.273 -12.259 575 HA ASP 71 HA ASP 71 1.688 15.217 -14.257 576 HB2 ASP 71 1HB ASP 71 1.774 12.937 -13.242 577 HB3 ASP 71 2HB ASP 71 0.306 12.530 -14.126 578 H HIS 72 H HIS 72 -1.727 14.808 -14.134 579 HA HIS 72 HA HIS 72 -1.974 15.871 -16.817 580 HB2 HIS 72 1HB HIS 72 -3.708 14.054 -17.362 581 HB3 HIS 72 2HB HIS 72 -2.007 13.612 -17.473 582 HD1 HIS 72 1HD HIS 72 -5.111 12.929 -15.532 583 HD2 HIS 72 2HD HIS 72 -1.117 11.786 -15.522 584 HE1 HIS 72 1HE HIS 72 -4.986 10.936 -14.004 585 HE2 HIS 72 2HE HIS 72 -2.546 10.314 -13.947 586 HA PRO 73 HA PRO 73 -5.143 17.951 -14.478 587 HB2 PRO 73 1HB PRO 73 -5.940 19.590 -16.490 588 HB3 PRO 73 2HB PRO 73 -4.465 19.864 -15.555 589 HG2 PRO 73 1HG PRO 73 -4.792 18.615 -18.256 590 HG3 PRO 73 2HG PRO 73 -3.575 19.780 -17.702 591 HD2 PRO 73 1HD PRO 73 -3.064 17.129 -17.913 592 HD3 PRO 73 2HD PRO 73 -2.301 18.154 -16.680 593 H ASN 74 H ASN 74 -5.489 15.624 -16.758 594 HA ASN 74 HA ASN 74 -8.221 16.018 -17.521 595 HB2 ASN 74 1HB ASN 74 -6.667 13.429 -17.605 596 HB3 ASN 74 2HB ASN 74 -8.065 13.874 -18.580 597 HD21 ASN 74 1HD2 ASN 74 -7.259 16.511 -19.191 598 HD22 ASN 74 2HD2 ASN 74 -5.921 16.415 -20.280 599 H TYR 75 H TYR 75 -8.190 16.332 -14.838 600 HA TYR 75 HA TYR 75 -9.661 13.962 -13.916 601 HB2 TYR 75 1HB TYR 75 -8.658 14.083 -11.730 602 HB3 TYR 75 2HB TYR 75 -7.367 13.998 -12.923 603 HD1 TYR 75 2HD TYR 75 -6.028 16.015 -13.441 604 HD2 TYR 75 1HD TYR 75 -8.924 15.999 -10.325 605 HE1 TYR 75 2HE TYR 75 -5.017 18.050 -12.499 606 HE2 TYR 75 1HE TYR 75 -7.922 18.034 -9.375 607 HH TYR 75 HH TYR 75 -5.547 19.873 -11.064 608 H LYS 76 H LYS 76 -8.893 17.356 -13.161 609 HA LYS 76 HA LYS 76 -11.637 18.110 -13.106 610 HB2 LYS 76 1HB LYS 76 -10.262 17.467 -10.547 611 HB3 LYS 76 2HB LYS 76 -11.287 18.896 -10.577 612 HG2 LYS 76 1HG LYS 76 -13.039 17.280 -11.625 613 HG3 LYS 76 2HG LYS 76 -12.029 16.027 -10.901 614 HD2 LYS 76 1HD LYS 76 -12.809 18.345 -9.210 615 HD3 LYS 76 2HD LYS 76 -14.041 17.137 -9.582 616 HE2 LYS 76 1HE LYS 76 -13.162 16.246 -7.665 617 HE3 LYS 76 2HE LYS 76 -12.143 15.462 -8.870 618 HZ1 LYS 76 3HZ LYS 76 -11.325 18.020 -7.652 619 HZ2 LYS 76 1HZ LYS 76 -10.363 16.831 -8.376 620 HZ3 LYS 76 2HZ LYS 76 -11.039 16.559 -6.850 621 H SER 77 H SER 77 -11.308 19.919 -14.249 622 HA SER 77 HA SER 77 -10.009 22.148 -13.016 623 HB2 SER 77 1HB SER 77 -8.627 20.633 -15.174 624 HB3 SER 77 2HB SER 77 -8.562 22.393 -15.253 625 HG SER 77 HG SER 77 -6.977 22.141 -13.890 626 H GLY 78 H GLY 78 -11.292 23.802 -13.470 627 HA2 GLY 78 1HA GLY 78 -11.958 24.660 -16.050 628 HA3 GLY 78 2HA GLY 78 -13.309 23.719 -15.437 629 HA PRO 79 HA PRO 79 -13.017 28.203 -13.668 630 HB2 PRO 79 1HB PRO 79 -14.260 29.651 -15.599 631 HB3 PRO 79 2HB PRO 79 -12.507 29.428 -15.543 632 HG2 PRO 79 1HG PRO 79 -14.547 27.991 -17.197 633 HG3 PRO 79 2HG PRO 79 -12.953 28.605 -17.672 634 HD2 PRO 79 1HD PRO 79 -13.398 25.996 -17.101 635 HD3 PRO 79 2HD PRO 79 -11.847 26.795 -16.770 636 H SER 80 H SER 80 -14.613 28.482 -12.251 637 HA SER 80 HA SER 80 -17.279 27.460 -12.892 638 HB2 SER 80 1HB SER 80 -15.947 28.207 -10.286 639 HB3 SER 80 2HB SER 80 -17.661 27.811 -10.402 640 HG SER 80 HG SER 80 -16.140 26.041 -9.877 641 H SER 81 H SER 81 -18.218 29.057 -14.105 642 HA SER 81 HA SER 81 -18.983 31.155 -14.678 643 HB2 SER 81 1HB SER 81 -19.957 30.721 -11.852 644 HB3 SER 81 2HB SER 81 -20.511 32.061 -12.855 645 HG SER 81 HG SER 81 -20.649 29.366 -13.705 646 H GLY 82 H GLY 82 -16.286 31.313 -13.926 647 HA2 GLY 82 1HA GLY 82 -16.084 34.097 -13.347 648 HA3 GLY 82 2HA GLY 82 -15.593 33.130 -11.964 Start of MODEL 9 1 H1 GLY 1 H GLY 1 9.278 -13.025 -5.771 2 HA2 GLY 1 1HA GLY 1 8.232 -10.926 -4.872 3 HA3 GLY 1 2HA GLY 1 9.902 -11.136 -4.365 4 H SER 2 H SER 2 11.390 -10.411 -6.447 5 HA SER 2 HA SER 2 10.490 -7.682 -7.101 6 HB2 SER 2 1HB SER 2 12.328 -7.857 -5.342 7 HB3 SER 2 2HB SER 2 13.371 -8.456 -6.632 8 HG SER 2 HG SER 2 11.947 -6.080 -7.042 9 H SER 3 H SER 3 9.837 -8.044 -9.176 10 HA SER 3 HA SER 3 11.531 -9.509 -11.018 11 HB2 SER 3 1HB SER 3 8.868 -8.119 -11.373 12 HB3 SER 3 2HB SER 3 9.712 -8.967 -12.668 13 HG SER 3 HG SER 3 9.701 -10.729 -10.869 14 H GLY 4 H GLY 4 13.379 -8.277 -11.271 15 HA2 GLY 4 1HA GLY 4 14.714 -6.639 -12.166 16 HA3 GLY 4 2HA GLY 4 13.382 -6.324 -13.268 17 H SER 5 H SER 5 12.974 -4.220 -13.295 18 HA SER 5 HA SER 5 12.331 -2.860 -10.822 19 HB2 SER 5 1HB SER 5 14.664 -2.378 -10.819 20 HB3 SER 5 2HB SER 5 14.667 -2.032 -12.548 21 HG SER 5 HG SER 5 14.670 -0.146 -11.168 22 H SER 6 H SER 6 10.852 -1.263 -11.103 23 HA SER 6 HA SER 6 10.416 -0.017 -13.660 24 HB2 SER 6 1HB SER 6 9.239 -2.108 -14.061 25 HB3 SER 6 2HB SER 6 8.346 -1.929 -12.551 26 HG SER 6 HG SER 6 7.189 -1.253 -14.468 27 H GLY 7 H GLY 7 8.825 1.686 -13.572 28 HA2 GLY 7 1HA GLY 7 8.816 3.005 -11.025 29 HA3 GLY 7 2HA GLY 7 8.092 3.602 -12.511 30 H ILE 8 H ILE 8 6.089 4.174 -11.901 31 HA ILE 8 HA ILE 8 4.393 2.060 -10.755 32 HB ILE 8 HB ILE 8 4.340 4.979 -9.982 33 HG12 ILE 8 1HG1 ILE 8 4.898 2.555 -8.265 34 HG13 ILE 8 2HG1 ILE 8 6.159 3.551 -8.982 35 HG21 ILE 8 1HG2 ILE 8 2.095 4.231 -10.028 36 HG22 ILE 8 2HG2 ILE 8 2.519 2.691 -9.283 37 HG23 ILE 8 3HG2 ILE 8 2.599 4.178 -8.339 38 HD11 ILE 8 3HD1 ILE 8 4.283 5.193 -7.564 39 HD12 ILE 8 1HD1 ILE 8 4.896 3.909 -6.523 40 HD13 ILE 8 2HD1 ILE 8 6.020 5.006 -7.324 41 H ARG 9 H ARG 9 2.528 1.725 -11.798 42 HA ARG 9 HA ARG 9 1.954 3.301 -14.152 43 HB2 ARG 9 1HB ARG 9 1.744 0.689 -13.749 44 HB3 ARG 9 2HB ARG 9 0.132 1.137 -13.206 45 HG2 ARG 9 1HG ARG 9 1.164 2.084 -15.848 46 HG3 ARG 9 2HG ARG 9 0.487 0.464 -15.666 47 HD2 ARG 9 1HD ARG 9 -1.594 1.415 -14.828 48 HD3 ARG 9 2HD ARG 9 -0.916 3.038 -14.953 49 HE ARG 9 HE ARG 9 -2.028 1.471 -17.069 50 HH11 ARG 9 1HH1 ARG 9 0.316 3.933 -16.315 51 HH12 ARG 9 2HH1 ARG 9 0.297 4.621 -17.905 52 HH21 ARG 9 1HH2 ARG 9 -2.062 2.369 -19.165 53 HH22 ARG 9 2HH2 ARG 9 -1.057 3.732 -19.525 54 H ARG 10 H ARG 10 -0.112 2.166 -11.471 55 HA ARG 10 HA ARG 10 -1.608 4.694 -11.692 56 HB2 ARG 10 1HB ARG 10 -2.629 2.041 -10.664 57 HB3 ARG 10 2HB ARG 10 -3.570 3.508 -10.896 58 HG2 ARG 10 1HG ARG 10 -2.387 1.705 -12.981 59 HG3 ARG 10 2HG ARG 10 -4.081 2.126 -12.721 60 HD2 ARG 10 1HD ARG 10 -1.937 4.067 -13.576 61 HD3 ARG 10 2HD ARG 10 -3.063 3.268 -14.674 62 HE ARG 10 HE ARG 10 -3.597 5.528 -13.016 63 HH11 ARG 10 1HH1 ARG 10 -5.032 2.711 -14.471 64 HH12 ARG 10 2HH1 ARG 10 -6.630 3.380 -14.502 65 HH21 ARG 10 1HH2 ARG 10 -5.695 6.421 -13.051 66 HH22 ARG 10 2HH2 ARG 10 -7.006 5.491 -13.695 67 HA PRO 11 HA PRO 11 -0.534 5.690 -7.552 68 HB2 PRO 11 1HB PRO 11 -2.725 7.103 -6.793 69 HB3 PRO 11 2HB PRO 11 -1.521 7.731 -7.924 70 HG2 PRO 11 1HG PRO 11 -4.184 6.487 -8.490 71 HG3 PRO 11 2HG PRO 11 -3.438 7.917 -9.228 72 HD2 PRO 11 1HD PRO 11 -3.443 5.492 -10.432 73 HD3 PRO 11 2HD PRO 11 -2.120 6.657 -10.637 74 H MET 12 H MET 12 -1.441 5.631 -5.269 75 HA MET 12 HA MET 12 -3.379 3.453 -4.915 76 HB2 MET 12 1HB MET 12 -1.042 3.583 -3.069 77 HB3 MET 12 2HB MET 12 -2.014 2.199 -3.550 78 HG2 MET 12 1HG MET 12 -0.930 2.569 -5.875 79 HG3 MET 12 2HG MET 12 0.270 3.488 -4.969 80 HE1 MET 12 3HE MET 12 0.504 2.437 -2.460 81 HE2 MET 12 1HE MET 12 0.964 0.755 -2.197 82 HE3 MET 12 2HE MET 12 2.091 1.865 -2.976 83 H ASN 13 H ASN 13 -4.688 3.609 -3.120 84 HA ASN 13 HA ASN 13 -4.663 6.212 -1.791 85 HB2 ASN 13 1HB ASN 13 -6.943 5.872 -1.302 86 HB3 ASN 13 2HB ASN 13 -6.738 5.206 -2.920 87 HD21 ASN 13 1HD2 ASN 13 -6.314 2.847 -3.017 88 HD22 ASN 13 2HD2 ASN 13 -7.157 1.835 -1.899 89 H ALA 14 H ALA 14 -5.854 5.833 0.553 90 HA ALA 14 HA ALA 14 -3.841 4.976 2.265 91 HB1 ALA 14 3HB ALA 14 -5.253 6.303 3.422 92 HB2 ALA 14 1HB ALA 14 -6.678 5.723 2.559 93 HB3 ALA 14 2HB ALA 14 -5.989 4.763 3.869 94 H PHE 15 H PHE 15 -6.790 3.264 1.260 95 HA PHE 15 HA PHE 15 -6.371 0.949 2.794 96 HB2 PHE 15 1HB PHE 15 -8.539 1.228 1.919 97 HB3 PHE 15 2HB PHE 15 -7.939 1.500 0.287 98 HD1 PHE 15 1HD PHE 15 -8.544 -1.047 2.874 99 HD2 PHE 15 2HD PHE 15 -7.512 -0.309 -1.189 100 HE1 PHE 15 1HE PHE 15 -8.890 -3.427 2.358 101 HE2 PHE 15 2HE PHE 15 -7.858 -2.688 -1.712 102 HZ PHE 15 HZ PHE 15 -8.548 -4.251 0.062 103 H MET 16 H MET 16 -5.619 1.600 -0.626 104 HA MET 16 HA MET 16 -4.444 -0.855 -1.221 105 HB2 MET 16 1HB MET 16 -4.191 1.902 -2.355 106 HB3 MET 16 2HB MET 16 -3.097 0.643 -2.912 107 HG2 MET 16 1HG MET 16 -5.305 -0.710 -3.256 108 HG3 MET 16 2HG MET 16 -6.040 0.891 -3.269 109 HE1 MET 16 3HE MET 16 -2.934 -0.863 -4.304 110 HE2 MET 16 1HE MET 16 -2.887 -0.782 -6.066 111 HE3 MET 16 2HE MET 16 -2.270 0.562 -5.105 112 H VAL 17 H VAL 17 -2.758 2.192 -0.430 113 HA VAL 17 HA VAL 17 -0.181 1.360 -0.320 114 HB VAL 17 HB VAL 17 -1.489 3.178 1.709 115 HG11 VAL 17 1HG1 VAL 17 1.389 3.215 0.850 116 HG12 VAL 17 2HG1 VAL 17 0.642 4.006 2.240 117 HG13 VAL 17 3HG1 VAL 17 0.834 2.252 2.219 118 HG21 VAL 17 3HG2 VAL 17 -1.537 3.578 -0.931 119 HG22 VAL 17 1HG2 VAL 17 -1.357 4.894 0.230 120 HG23 VAL 17 2HG2 VAL 17 0.063 4.234 -0.582 121 H TRP 18 H TRP 18 -2.139 1.517 2.657 122 HA TRP 18 HA TRP 18 -0.471 0.054 4.285 123 HB2 TRP 18 1HB TRP 18 -2.202 1.051 5.445 124 HB3 TRP 18 2HB TRP 18 -3.417 0.552 4.271 125 HD1 TRP 18 HD TRP 18 -1.788 -0.510 7.503 126 HE1 TRP 18 1HE TRP 18 -2.898 -2.672 8.350 127 HE3 TRP 18 3HE TRP 18 -4.559 -1.674 3.367 128 HZ2 TRP 18 2HZ TRP 18 -4.708 -4.614 7.391 129 HZ3 TRP 18 3HZ TRP 18 -5.952 -3.702 3.413 130 HH2 TRP 18 HH TRP 18 -6.024 -5.140 5.385 131 H ALA 19 H ALA 19 -2.777 -1.097 1.912 132 HA ALA 19 HA ALA 19 -2.752 -3.823 2.716 133 HB1 ALA 19 3HB ALA 19 -4.572 -3.488 1.415 134 HB2 ALA 19 1HB ALA 19 -3.768 -2.285 0.407 135 HB3 ALA 19 2HB ALA 19 -3.466 -4.002 0.142 136 H LYS 20 H LYS 20 -0.747 -1.883 0.605 137 HA LYS 20 HA LYS 20 0.528 -3.718 -0.960 138 HB2 LYS 20 1HB LYS 20 2.223 -2.167 -1.246 139 HB3 LYS 20 2HB LYS 20 0.908 -1.153 -0.667 140 HG2 LYS 20 1HG LYS 20 1.978 -1.661 1.677 141 HG3 LYS 20 2HG LYS 20 3.415 -1.978 0.702 142 HD2 LYS 20 1HD LYS 20 1.800 0.542 0.411 143 HD3 LYS 20 2HD LYS 20 3.112 0.394 1.583 144 HE2 LYS 20 1HE LYS 20 4.464 -0.440 -0.500 145 HE3 LYS 20 2HE LYS 20 3.217 0.423 -1.400 146 HZ1 LYS 20 3HZ LYS 20 4.511 2.195 -1.080 147 HZ2 LYS 20 1HZ LYS 20 5.404 1.459 0.154 148 HZ3 LYS 20 2HZ LYS 20 3.926 2.201 0.507 149 H ASP 21 H ASP 21 0.718 -3.403 2.474 150 HA ASP 21 HA ASP 21 3.051 -5.150 2.645 151 HB2 ASP 21 1HB ASP 21 2.675 -3.081 4.126 152 HB3 ASP 21 2HB ASP 21 1.487 -4.064 4.978 153 H GLU 22 H GLU 22 -0.323 -5.068 3.772 154 HA GLU 22 HA GLU 22 -0.351 -7.640 4.896 155 HB2 GLU 22 1HB GLU 22 -2.560 -5.918 3.777 156 HB3 GLU 22 2HB GLU 22 -2.860 -7.463 4.559 157 HG2 GLU 22 1HG GLU 22 -1.699 -4.976 5.776 158 HG3 GLU 22 2HG GLU 22 -3.218 -5.775 6.176 159 H ARG 23 H ARG 23 -1.587 -6.552 1.732 160 HA ARG 23 HA ARG 23 -2.500 -8.814 0.616 161 HB2 ARG 23 1HB ARG 23 -2.276 -6.601 -0.527 162 HB3 ARG 23 2HB ARG 23 -0.582 -6.973 -0.818 163 HG2 ARG 23 1HG ARG 23 -1.631 -9.152 -1.898 164 HG3 ARG 23 2HG ARG 23 -3.017 -8.077 -2.093 165 HD2 ARG 23 1HD ARG 23 -1.910 -7.650 -4.047 166 HD3 ARG 23 2HD ARG 23 -1.176 -6.429 -3.008 167 HE ARG 23 HE ARG 23 0.232 -8.943 -3.071 168 HH11 ARG 23 1HH1 ARG 23 -0.143 -5.806 -4.532 169 HH12 ARG 23 2HH1 ARG 23 1.450 -5.788 -5.212 170 HH21 ARG 23 1HH2 ARG 23 2.332 -8.932 -3.962 171 HH22 ARG 23 2HH2 ARG 23 2.857 -7.567 -4.889 172 H LYS 24 H LYS 24 0.951 -7.929 0.649 173 HA LYS 24 HA LYS 24 2.078 -10.033 -0.645 174 HB2 LYS 24 1HB LYS 24 3.036 -8.688 1.884 175 HB3 LYS 24 2HB LYS 24 4.023 -9.790 0.933 176 HG2 LYS 24 1HG LYS 24 3.348 -8.116 -1.010 177 HG3 LYS 24 2HG LYS 24 3.182 -7.009 0.355 178 HD2 LYS 24 1HD LYS 24 5.403 -6.745 -0.334 179 HD3 LYS 24 2HD LYS 24 5.508 -7.828 1.057 180 HE2 LYS 24 1HE LYS 24 6.927 -8.730 -0.614 181 HE3 LYS 24 2HE LYS 24 5.486 -9.744 -0.577 182 HZ1 LYS 24 3HZ LYS 24 4.774 -8.967 -2.593 183 HZ2 LYS 24 1HZ LYS 24 6.449 -8.907 -2.827 184 HZ3 LYS 24 2HZ LYS 24 5.595 -7.494 -2.460 185 H ARG 25 H ARG 25 1.040 -10.005 2.748 186 HA ARG 25 HA ARG 25 1.875 -12.641 3.334 187 HB2 ARG 25 1HB ARG 25 0.956 -12.310 5.405 188 HB3 ARG 25 2HB ARG 25 1.090 -10.637 4.880 189 HG2 ARG 25 1HG ARG 25 -1.340 -11.090 3.965 190 HG3 ARG 25 2HG ARG 25 -1.320 -12.337 5.214 191 HD2 ARG 25 1HD ARG 25 -0.381 -9.617 5.947 192 HD3 ARG 25 2HD ARG 25 -2.111 -9.852 5.708 193 HE ARG 25 HE ARG 25 -2.181 -11.154 7.614 194 HH11 ARG 25 1HH1 ARG 25 1.117 -10.433 6.764 195 HH12 ARG 25 2HH1 ARG 25 1.766 -10.999 8.267 196 HH21 ARG 25 1HH2 ARG 25 -1.339 -11.901 9.598 197 HH22 ARG 25 2HH2 ARG 25 0.368 -11.835 9.878 198 H LEU 26 H LEU 26 -1.070 -11.301 1.984 199 HA LEU 26 HA LEU 26 -2.670 -13.622 2.238 200 HB2 LEU 26 1HB LEU 26 -2.892 -11.436 0.177 201 HB3 LEU 26 2HB LEU 26 -4.159 -12.562 0.659 202 HG LEU 26 HG LEU 26 -3.007 -10.287 2.263 203 HD11 LEU 26 1HD1 LEU 26 -4.666 -9.572 0.701 204 HD12 LEU 26 2HD1 LEU 26 -5.403 -9.599 2.303 205 HD13 LEU 26 3HD1 LEU 26 -5.741 -10.894 1.155 206 HD21 LEU 26 3HD2 LEU 26 -4.993 -12.373 3.161 207 HD22 LEU 26 1HD2 LEU 26 -4.446 -10.973 4.085 208 HD23 LEU 26 2HD2 LEU 26 -3.314 -12.267 3.693 209 H ALA 27 H ALA 27 -0.628 -12.382 -0.378 210 HA ALA 27 HA ALA 27 -1.238 -14.234 -2.352 211 HB1 ALA 27 3HB ALA 27 1.339 -13.812 -2.900 212 HB2 ALA 27 1HB ALA 27 0.087 -12.609 -3.210 213 HB3 ALA 27 2HB ALA 27 1.081 -12.495 -1.756 214 H GLN 28 H GLN 28 1.377 -14.407 0.067 215 HA GLN 28 HA GLN 28 2.282 -16.967 -0.670 216 HB2 GLN 28 1HB GLN 28 3.408 -16.983 1.525 217 HB3 GLN 28 2HB GLN 28 3.658 -15.473 0.659 218 HG2 GLN 28 1HG GLN 28 2.284 -14.274 2.087 219 HG3 GLN 28 2HG GLN 28 1.463 -15.721 2.670 220 HE21 GLN 28 1HE2 GLN 28 1.973 -14.586 4.739 221 HE22 GLN 28 2HE2 GLN 28 3.484 -14.951 5.492 222 H GLN 29 H GLN 29 -0.164 -15.894 1.628 223 HA GLN 29 HA GLN 29 -0.615 -18.454 2.784 224 HB2 GLN 29 1HB GLN 29 -1.955 -15.803 2.856 225 HB3 GLN 29 2HB GLN 29 -2.923 -17.201 3.302 226 HG2 GLN 29 1HG GLN 29 -0.809 -17.723 4.804 227 HG3 GLN 29 2HG GLN 29 -0.603 -15.977 4.679 228 HE21 GLN 29 1HE2 GLN 29 -2.633 -14.704 5.128 229 HE22 GLN 29 2HE2 GLN 29 -3.598 -15.229 6.461 230 H ASN 30 H ASN 30 -1.886 -16.766 0.000 231 HA ASN 30 HA ASN 30 -3.387 -19.190 -0.710 232 HB2 ASN 30 1HB ASN 30 -4.375 -16.352 -1.071 233 HB3 ASN 30 2HB ASN 30 -5.202 -17.805 -1.626 234 HD21 ASN 30 1HD2 ASN 30 -5.083 -15.557 0.758 235 HD22 ASN 30 2HD2 ASN 30 -5.850 -16.440 2.029 236 HA PRO 31 HA PRO 31 -0.508 -18.032 -4.116 237 HB2 PRO 31 1HB PRO 31 0.136 -20.597 -4.730 238 HB3 PRO 31 2HB PRO 31 0.955 -19.678 -3.461 239 HG2 PRO 31 1HG PRO 31 -1.233 -21.707 -3.218 240 HG3 PRO 31 2HG PRO 31 0.225 -21.510 -2.228 241 HD2 PRO 31 1HD PRO 31 -2.207 -20.623 -1.434 242 HD3 PRO 31 2HD PRO 31 -0.698 -19.802 -0.986 243 H ASP 32 H ASP 32 -3.466 -19.603 -3.822 244 HA ASP 32 HA ASP 32 -3.706 -19.980 -6.731 245 HB2 ASP 32 1HB ASP 32 -4.205 -21.890 -5.049 246 HB3 ASP 32 2HB ASP 32 -5.692 -21.005 -4.721 247 H LEU 33 H LEU 33 -4.706 -18.055 -4.095 248 HA LEU 33 HA LEU 33 -7.129 -17.100 -5.362 249 HB2 LEU 33 1HB LEU 33 -5.673 -16.300 -2.853 250 HB3 LEU 33 2HB LEU 33 -7.133 -15.494 -3.421 251 HG LEU 33 HG LEU 33 -6.885 -18.365 -2.527 252 HD11 LEU 33 1HD1 LEU 33 -7.818 -17.755 -0.561 253 HD12 LEU 33 2HD1 LEU 33 -8.761 -16.451 -1.283 254 HD13 LEU 33 3HD1 LEU 33 -7.046 -16.216 -0.944 255 HD21 LEU 33 3HD2 LEU 33 -8.670 -18.788 -3.780 256 HD22 LEU 33 1HD2 LEU 33 -8.793 -17.098 -4.270 257 HD23 LEU 33 2HD2 LEU 33 -9.574 -17.645 -2.785 258 H HIS 34 H HIS 34 -7.475 -14.879 -5.941 259 HA HIS 34 HA HIS 34 -5.002 -13.512 -6.781 260 HB2 HIS 34 1HB HIS 34 -6.412 -12.539 -8.630 261 HB3 HIS 34 2HB HIS 34 -6.131 -14.274 -8.746 262 HD1 HIS 34 1HD HIS 34 -8.807 -11.752 -8.417 263 HD2 HIS 34 2HD HIS 34 -8.422 -15.881 -8.162 264 HE1 HIS 34 1HE HIS 34 -11.152 -12.653 -8.519 265 HE2 HIS 34 2HE HIS 34 -10.900 -15.148 -8.277 266 H ASN 35 H ASN 35 -5.468 -11.096 -7.240 267 HA ASN 35 HA ASN 35 -5.772 -9.661 -5.016 268 HB2 ASN 35 1HB ASN 35 -6.844 -8.899 -7.739 269 HB3 ASN 35 2HB ASN 35 -6.629 -7.765 -6.409 270 HD21 ASN 35 1HD2 ASN 35 -5.278 -6.739 -8.109 271 HD22 ASN 35 2HD2 ASN 35 -3.617 -7.205 -8.200 272 H ALA 36 H ALA 36 -8.571 -9.868 -7.211 273 HA ALA 36 HA ALA 36 -10.567 -8.898 -5.744 274 HB1 ALA 36 3HB ALA 36 -10.512 -10.386 -7.976 275 HB2 ALA 36 1HB ALA 36 -11.236 -11.547 -6.862 276 HB3 ALA 36 2HB ALA 36 -11.999 -9.978 -7.120 277 H GLU 37 H GLU 37 -9.068 -12.042 -5.183 278 HA GLU 37 HA GLU 37 -10.878 -12.734 -3.055 279 HB2 GLU 37 1HB GLU 37 -8.290 -13.973 -3.997 280 HB3 GLU 37 2HB GLU 37 -9.268 -14.629 -2.693 281 HG2 GLU 37 1HG GLU 37 -10.602 -14.122 -5.289 282 HG3 GLU 37 2HG GLU 37 -9.480 -15.477 -5.189 283 H LEU 38 H LEU 38 -7.532 -11.598 -3.300 284 HA LEU 38 HA LEU 38 -6.904 -11.702 -0.569 285 HB2 LEU 38 1HB LEU 38 -5.823 -9.611 -2.425 286 HB3 LEU 38 2HB LEU 38 -5.019 -10.410 -1.076 287 HG LEU 38 HG LEU 38 -5.683 -11.646 -3.748 288 HD11 LEU 38 1HD1 LEU 38 -2.937 -11.752 -3.152 289 HD12 LEU 38 2HD1 LEU 38 -3.461 -10.101 -2.822 290 HD13 LEU 38 3HD1 LEU 38 -3.740 -10.814 -4.411 291 HD21 LEU 38 3HD2 LEU 38 -4.336 -12.804 -1.311 292 HD22 LEU 38 1HD2 LEU 38 -4.367 -13.563 -2.902 293 HD23 LEU 38 2HD2 LEU 38 -5.871 -13.311 -2.016 294 H SER 39 H SER 39 -8.177 -9.039 -2.547 295 HA SER 39 HA SER 39 -8.208 -6.941 -0.865 296 HB2 SER 39 1HB SER 39 -9.424 -7.396 -3.203 297 HB3 SER 39 2HB SER 39 -10.834 -7.503 -2.151 298 HG SER 39 HG SER 39 -10.393 -5.360 -2.932 299 H LYS 40 H LYS 40 -10.983 -9.181 -0.973 300 HA LYS 40 HA LYS 40 -12.482 -8.412 1.089 301 HB2 LYS 40 1HB LYS 40 -11.647 -11.301 0.813 302 HB3 LYS 40 2HB LYS 40 -13.166 -10.686 1.450 303 HG2 LYS 40 1HG LYS 40 -13.296 -9.616 -0.981 304 HG3 LYS 40 2HG LYS 40 -12.269 -11.004 -1.351 305 HD2 LYS 40 1HD LYS 40 -14.671 -11.507 0.310 306 HD3 LYS 40 2HD LYS 40 -14.939 -11.123 -1.392 307 HE2 LYS 40 1HE LYS 40 -13.369 -12.926 -2.008 308 HE3 LYS 40 2HE LYS 40 -13.196 -13.331 -0.302 309 HZ1 LYS 40 3HZ LYS 40 -14.798 -14.761 -1.451 310 HZ2 LYS 40 1HZ LYS 40 -15.750 -13.410 -1.815 311 HZ3 LYS 40 2HZ LYS 40 -15.526 -13.878 -0.205 312 H MET 41 H MET 41 -9.519 -10.338 1.482 313 HA MET 41 HA MET 41 -9.639 -10.384 4.321 314 HB2 MET 41 1HB MET 41 -7.218 -10.751 2.550 315 HB3 MET 41 2HB MET 41 -7.381 -11.270 4.222 316 HG2 MET 41 1HG MET 41 -9.081 -12.867 3.599 317 HG3 MET 41 2HG MET 41 -9.037 -12.300 1.932 318 HE1 MET 41 3HE MET 41 -8.209 -13.269 0.363 319 HE2 MET 41 1HE MET 41 -6.471 -13.504 0.178 320 HE3 MET 41 2HE MET 41 -7.521 -14.890 0.467 321 H LEU 42 H LEU 42 -7.994 -8.319 1.975 322 HA LEU 42 HA LEU 42 -6.491 -6.832 3.854 323 HB2 LEU 42 1HB LEU 42 -7.446 -6.080 1.095 324 HB3 LEU 42 2HB LEU 42 -6.248 -5.187 2.029 325 HG LEU 42 HG LEU 42 -5.901 -8.037 1.105 326 HD11 LEU 42 1HD1 LEU 42 -5.953 -6.754 -0.867 327 HD12 LEU 42 2HD1 LEU 42 -4.244 -6.960 -0.481 328 HD13 LEU 42 3HD1 LEU 42 -5.050 -5.432 -0.126 329 HD21 LEU 42 3HD2 LEU 42 -4.531 -6.463 3.014 330 HD22 LEU 42 1HD2 LEU 42 -3.481 -6.621 1.606 331 HD23 LEU 42 2HD2 LEU 42 -4.106 -8.064 2.406 332 H GLY 43 H GLY 43 -9.793 -6.698 2.832 333 HA2 GLY 43 1HA GLY 43 -10.286 -4.000 3.671 334 HA3 GLY 43 2HA GLY 43 -11.500 -5.207 3.275 335 H LYS 44 H LYS 44 -11.236 -7.154 5.041 336 HA LYS 44 HA LYS 44 -12.469 -6.273 7.335 337 HB2 LYS 44 1HB LYS 44 -11.889 -8.450 8.326 338 HB3 LYS 44 2HB LYS 44 -12.455 -8.617 6.670 339 HG2 LYS 44 1HG LYS 44 -10.242 -8.978 5.868 340 HG3 LYS 44 2HG LYS 44 -9.547 -8.556 7.434 341 HD2 LYS 44 1HD LYS 44 -10.796 -10.514 8.398 342 HD3 LYS 44 2HD LYS 44 -11.204 -10.978 6.744 343 HE2 LYS 44 1HE LYS 44 -9.310 -12.239 7.158 344 HE3 LYS 44 2HE LYS 44 -8.647 -10.825 6.341 345 HZ1 LYS 44 3HZ LYS 44 -7.605 -11.711 8.552 346 HZ2 LYS 44 1HZ LYS 44 -8.831 -10.789 9.266 347 HZ3 LYS 44 2HZ LYS 44 -7.700 -10.049 8.250 348 H SER 45 H SER 45 -9.013 -6.763 6.769 349 HA SER 45 HA SER 45 -8.256 -6.118 9.452 350 HB2 SER 45 1HB SER 45 -6.748 -6.488 6.875 351 HB3 SER 45 2HB SER 45 -5.936 -5.887 8.320 352 HG SER 45 HG SER 45 -6.051 -8.291 7.863 353 H TRP 46 H TRP 46 -8.754 -4.328 6.506 354 HA TRP 46 HA TRP 46 -7.370 -1.970 7.291 355 HB2 TRP 46 1HB TRP 46 -7.838 -2.431 4.942 356 HB3 TRP 46 2HB TRP 46 -9.571 -2.370 5.254 357 HD1 TRP 46 HD TRP 46 -10.643 -0.143 4.624 358 HE1 TRP 46 1HE TRP 46 -9.849 2.293 4.381 359 HE3 TRP 46 3HE TRP 46 -5.783 -0.724 6.099 360 HZ2 TRP 46 2HZ TRP 46 -7.475 3.772 4.763 361 HZ3 TRP 46 3HZ TRP 46 -4.316 1.251 6.131 362 HH2 TRP 46 HH TRP 46 -5.147 3.452 5.477 363 H LYS 47 H LYS 47 -10.881 -2.380 6.818 364 HA LYS 47 HA LYS 47 -11.804 -0.153 8.050 365 HB2 LYS 47 1HB LYS 47 -12.876 -2.910 7.775 366 HB3 LYS 47 2HB LYS 47 -13.694 -1.847 8.911 367 HG2 LYS 47 1HG LYS 47 -14.385 -0.391 7.258 368 HG3 LYS 47 2HG LYS 47 -13.125 -0.907 6.135 369 HD2 LYS 47 1HD LYS 47 -15.350 -2.728 7.022 370 HD3 LYS 47 2HD LYS 47 -15.493 -1.668 5.618 371 HE2 LYS 47 1HE LYS 47 -13.832 -2.805 4.443 372 HE3 LYS 47 2HE LYS 47 -13.169 -3.538 5.902 373 HZ1 LYS 47 3HZ LYS 47 -14.800 -4.790 4.183 374 HZ2 LYS 47 1HZ LYS 47 -15.914 -4.244 5.335 375 HZ3 LYS 47 2HZ LYS 47 -14.619 -5.224 5.808 376 H ALA 48 H ALA 48 -10.523 -3.012 9.613 377 HA ALA 48 HA ALA 48 -11.376 -2.461 12.241 378 HB1 ALA 48 3HB ALA 48 -9.181 -4.125 11.075 379 HB2 ALA 48 1HB ALA 48 -9.302 -3.899 12.820 380 HB3 ALA 48 2HB ALA 48 -10.637 -4.633 11.931 381 H LEU 49 H LEU 49 -8.487 -1.515 10.439 382 HA LEU 49 HA LEU 49 -6.988 -0.409 12.495 383 HB2 LEU 49 1HB LEU 49 -7.235 0.408 9.608 384 HB3 LEU 49 2HB LEU 49 -6.032 1.077 10.709 385 HG LEU 49 HG LEU 49 -6.246 -1.824 9.902 386 HD11 LEU 49 1HD1 LEU 49 -3.833 -0.886 9.029 387 HD12 LEU 49 2HD1 LEU 49 -4.902 0.481 8.715 388 HD13 LEU 49 3HD1 LEU 49 -5.269 -1.100 8.027 389 HD21 LEU 49 3HD2 LEU 49 -3.775 -1.517 10.923 390 HD22 LEU 49 1HD2 LEU 49 -5.162 -2.063 11.866 391 HD23 LEU 49 2HD2 LEU 49 -4.667 -0.371 11.925 392 H THR 50 H THR 50 -6.804 1.654 13.368 393 HA THR 50 HA THR 50 -9.265 3.233 13.253 394 HB THR 50 HB THR 50 -8.446 4.346 15.282 395 HG1 THR 50 1HG THR 50 -6.337 2.519 15.530 396 HG21 THR 50 3HG2 THR 50 -8.594 2.446 16.802 397 HG22 THR 50 1HG2 THR 50 -8.262 1.337 15.472 398 HG23 THR 50 2HG2 THR 50 -9.756 2.273 15.486 399 H LEU 51 H LEU 51 -8.911 5.668 13.541 400 HA LEU 51 HA LEU 51 -7.835 6.769 11.274 401 HB2 LEU 51 1HB LEU 51 -9.363 7.890 12.886 402 HB3 LEU 51 2HB LEU 51 -7.983 8.140 13.953 403 HG LEU 51 HG LEU 51 -8.849 10.044 12.356 404 HD11 LEU 51 1HD1 LEU 51 -6.473 9.493 13.719 405 HD12 LEU 51 2HD1 LEU 51 -7.042 11.060 13.144 406 HD13 LEU 51 3HD1 LEU 51 -5.983 10.081 12.130 407 HD21 LEU 51 3HD2 LEU 51 -7.666 10.126 10.250 408 HD22 LEU 51 1HD2 LEU 51 -8.649 8.663 10.320 409 HD23 LEU 51 2HD2 LEU 51 -6.907 8.568 10.581 410 H ALA 52 H ALA 52 -6.301 6.793 14.495 411 HA ALA 52 HA ALA 52 -3.898 7.964 13.811 412 HB1 ALA 52 3HB ALA 52 -4.695 7.384 16.118 413 HB2 ALA 52 1HB ALA 52 -4.167 5.729 15.811 414 HB3 ALA 52 2HB ALA 52 -2.992 7.045 15.809 415 H GLU 53 H GLU 53 -4.988 4.689 13.265 416 HA GLU 53 HA GLU 53 -2.396 3.671 12.564 417 HB2 GLU 53 1HB GLU 53 -5.190 2.581 12.253 418 HB3 GLU 53 2HB GLU 53 -3.769 1.721 11.679 419 HG2 GLU 53 1HG GLU 53 -4.046 2.619 14.526 420 HG3 GLU 53 2HG GLU 53 -4.682 1.077 13.956 421 H LYS 54 H LYS 54 -5.140 5.028 10.858 422 HA LYS 54 HA LYS 54 -4.020 4.415 8.255 423 HB2 LYS 54 1HB LYS 54 -6.405 6.151 8.908 424 HB3 LYS 54 2HB LYS 54 -6.004 5.445 7.348 425 HG2 LYS 54 1HG LYS 54 -6.518 3.263 8.097 426 HG3 LYS 54 2HG LYS 54 -6.597 3.785 9.781 427 HD2 LYS 54 1HD LYS 54 -8.830 3.708 9.281 428 HD3 LYS 54 2HD LYS 54 -8.476 5.380 8.840 429 HE2 LYS 54 1HE LYS 54 -8.152 4.644 6.497 430 HE3 LYS 54 2HE LYS 54 -8.626 3.014 6.974 431 HZ1 LYS 54 3HZ LYS 54 -10.316 4.903 6.077 432 HZ2 LYS 54 1HZ LYS 54 -10.495 5.070 7.751 433 HZ3 LYS 54 2HZ LYS 54 -10.776 3.573 7.015 434 H ARG 55 H ARG 55 -3.570 6.780 10.577 435 HA ARG 55 HA ARG 55 -3.374 9.159 9.166 436 HB2 ARG 55 1HB ARG 55 -2.944 8.477 11.725 437 HB3 ARG 55 2HB ARG 55 -1.274 8.610 11.190 438 HG2 ARG 55 1HG ARG 55 -1.738 10.726 11.996 439 HG3 ARG 55 2HG ARG 55 -1.986 10.903 10.258 440 HD2 ARG 55 1HD ARG 55 -4.457 10.275 10.855 441 HD3 ARG 55 2HD ARG 55 -3.991 10.815 12.468 442 HE ARG 55 HE ARG 55 -4.480 12.456 10.179 443 HH11 ARG 55 1HH1 ARG 55 -2.669 12.216 13.143 444 HH12 ARG 55 2HH1 ARG 55 -2.494 13.930 13.327 445 HH21 ARG 55 1HH2 ARG 55 -4.256 14.714 10.411 446 HH22 ARG 55 2HH2 ARG 55 -3.398 15.350 11.773 447 HA PRO 56 HA PRO 56 1.224 7.969 8.174 448 HB2 PRO 56 1HB PRO 56 1.854 5.337 8.377 449 HB3 PRO 56 2HB PRO 56 2.032 6.473 9.719 450 HG2 PRO 56 1HG PRO 56 -0.169 4.519 9.172 451 HG3 PRO 56 2HG PRO 56 0.636 4.897 10.706 452 HD2 PRO 56 1HD PRO 56 -1.786 5.909 10.044 453 HD3 PRO 56 2HD PRO 56 -0.618 6.801 11.040 454 H PHE 57 H PHE 57 -1.325 5.643 7.452 455 HA PHE 57 HA PHE 57 -0.250 5.145 4.794 456 HB2 PHE 57 1HB PHE 57 -2.826 4.102 5.979 457 HB3 PHE 57 2HB PHE 57 -1.961 3.471 4.581 458 HD1 PHE 57 1HD PHE 57 0.553 2.780 5.112 459 HD2 PHE 57 2HD PHE 57 -2.598 2.988 7.966 460 HE1 PHE 57 1HE PHE 57 1.777 1.223 6.572 461 HE2 PHE 57 2HE PHE 57 -1.379 1.431 9.430 462 HZ PHE 57 HZ PHE 57 0.811 0.547 8.734 463 H VAL 58 H VAL 58 -2.279 7.369 6.273 464 HA VAL 58 HA VAL 58 -3.928 7.816 3.903 465 HB VAL 58 HB VAL 58 -3.989 8.930 6.694 466 HG11 VAL 58 1HG1 VAL 58 -5.831 10.395 6.003 467 HG12 VAL 58 2HG1 VAL 58 -4.318 10.824 5.203 468 HG13 VAL 58 3HG1 VAL 58 -5.561 9.933 4.323 469 HG21 VAL 58 3HG2 VAL 58 -5.213 6.765 5.516 470 HG22 VAL 58 1HG2 VAL 58 -5.736 7.569 6.996 471 HG23 VAL 58 2HG2 VAL 58 -6.459 8.012 5.450 472 H GLU 59 H GLU 59 -1.322 9.293 5.733 473 HA GLU 59 HA GLU 59 -1.359 11.728 4.185 474 HB2 GLU 59 1HB GLU 59 0.757 10.718 6.092 475 HB3 GLU 59 2HB GLU 59 0.594 12.359 5.485 476 HG2 GLU 59 1HG GLU 59 -1.695 11.158 6.949 477 HG3 GLU 59 2HG GLU 59 -0.282 11.678 7.866 478 H GLU 60 H GLU 60 -0.196 8.619 3.700 479 HA GLU 60 HA GLU 60 2.062 9.450 2.049 480 HB2 GLU 60 1HB GLU 60 2.615 7.560 3.318 481 HB3 GLU 60 2HB GLU 60 1.054 6.801 3.039 482 HG2 GLU 60 1HG GLU 60 1.642 6.027 0.965 483 HG3 GLU 60 2HG GLU 60 2.852 7.285 0.719 484 H ALA 61 H ALA 61 -0.918 7.531 1.695 485 HA ALA 61 HA ALA 61 -0.794 7.129 -1.055 486 HB1 ALA 61 3HB ALA 61 -2.587 6.530 0.971 487 HB2 ALA 61 1HB ALA 61 -3.513 7.535 -0.144 488 HB3 ALA 61 2HB ALA 61 -2.723 6.068 -0.726 489 H GLU 62 H GLU 62 -2.084 9.853 0.786 490 HA GLU 62 HA GLU 62 -3.394 11.234 -1.221 491 HB2 GLU 62 1HB GLU 62 -3.580 12.006 1.026 492 HB3 GLU 62 2HB GLU 62 -1.842 12.232 1.163 493 HG2 GLU 62 1HG GLU 62 -1.860 14.195 -0.011 494 HG3 GLU 62 2HG GLU 62 -3.324 13.778 -0.899 495 H ARG 63 H ARG 63 0.046 11.123 -0.466 496 HA ARG 63 HA ARG 63 0.797 13.154 -2.322 497 HB2 ARG 63 1HB ARG 63 2.494 10.950 -1.137 498 HB3 ARG 63 2HB ARG 63 3.082 12.418 -1.906 499 HG2 ARG 63 1HG ARG 63 2.237 13.773 -0.138 500 HG3 ARG 63 2HG ARG 63 1.382 12.404 0.575 501 HD2 ARG 63 1HD ARG 63 3.338 12.717 1.870 502 HD3 ARG 63 2HD ARG 63 3.631 11.301 0.861 503 HE ARG 63 HE ARG 63 4.588 13.687 -0.364 504 HH11 ARG 63 1HH1 ARG 63 5.327 11.305 2.064 505 HH12 ARG 63 2HH1 ARG 63 7.040 11.543 1.962 506 HH21 ARG 63 1HH2 ARG 63 6.841 14.009 -0.508 507 HH22 ARG 63 2HH2 ARG 63 7.900 13.082 0.500 508 H LEU 64 H LEU 64 0.618 9.631 -2.441 509 HA LEU 64 HA LEU 64 1.859 9.305 -4.954 510 HB2 LEU 64 1HB LEU 64 -0.263 7.523 -3.784 511 HB3 LEU 64 2HB LEU 64 1.001 7.083 -4.930 512 HG LEU 64 HG LEU 64 1.461 7.864 -2.052 513 HD11 LEU 64 1HD1 LEU 64 2.252 5.281 -2.293 514 HD12 LEU 64 2HD1 LEU 64 0.843 5.309 -3.352 515 HD13 LEU 64 3HD1 LEU 64 0.687 5.795 -1.664 516 HD21 LEU 64 3HD2 LEU 64 3.498 8.322 -2.905 517 HD22 LEU 64 1HD2 LEU 64 3.228 7.356 -4.356 518 HD23 LEU 64 2HD2 LEU 64 3.684 6.568 -2.845 519 H ARG 65 H ARG 65 -1.514 9.761 -3.999 520 HA ARG 65 HA ARG 65 -2.687 9.348 -6.511 521 HB2 ARG 65 1HB ARG 65 -4.081 9.395 -4.568 522 HB3 ARG 65 2HB ARG 65 -3.550 11.020 -4.153 523 HG2 ARG 65 1HG ARG 65 -4.573 11.570 -6.528 524 HG3 ARG 65 2HG ARG 65 -5.521 10.124 -6.176 525 HD2 ARG 65 1HD ARG 65 -5.824 11.342 -3.844 526 HD3 ARG 65 2HD ARG 65 -5.508 12.772 -4.826 527 HE ARG 65 HE ARG 65 -7.591 12.550 -5.736 528 HH11 ARG 65 1HH1 ARG 65 -6.681 9.531 -4.260 529 HH12 ARG 65 2HH1 ARG 65 -8.231 8.796 -4.501 530 HH21 ARG 65 1HH2 ARG 65 -9.636 11.593 -6.059 531 HH22 ARG 65 2HH2 ARG 65 -9.911 9.969 -5.525 532 H VAL 66 H VAL 66 -1.748 12.399 -4.924 533 HA VAL 66 HA VAL 66 -2.395 14.091 -7.065 534 HB VAL 66 HB VAL 66 -0.835 15.719 -6.009 535 HG11 VAL 66 1HG1 VAL 66 -3.256 15.127 -5.243 536 HG12 VAL 66 2HG1 VAL 66 -2.442 14.486 -3.814 537 HG13 VAL 66 3HG1 VAL 66 -2.252 16.184 -4.251 538 HG21 VAL 66 3HG2 VAL 66 0.282 15.136 -3.929 539 HG22 VAL 66 1HG2 VAL 66 -0.308 13.479 -4.058 540 HG23 VAL 66 2HG2 VAL 66 0.845 14.099 -5.240 541 H GLN 67 H GLN 67 0.443 12.159 -6.406 542 HA GLN 67 HA GLN 67 2.201 13.396 -8.235 543 HB2 GLN 67 1HB GLN 67 2.101 10.669 -6.975 544 HB3 GLN 67 2HB GLN 67 3.327 11.069 -8.171 545 HG2 GLN 67 1HG GLN 67 4.368 12.595 -6.793 546 HG3 GLN 67 2HG GLN 67 2.927 12.844 -5.808 547 HE21 GLN 67 1HE2 GLN 67 4.029 12.477 -3.895 548 HE22 GLN 67 2HE2 GLN 67 4.558 10.903 -3.418 549 H HIS 68 H HIS 68 -0.439 11.217 -8.647 550 HA HIS 68 HA HIS 68 0.379 10.344 -11.282 551 HB2 HIS 68 1HB HIS 68 -0.868 8.792 -9.891 552 HB3 HIS 68 2HB HIS 68 -2.195 9.941 -9.744 553 HD1 HIS 68 1HD HIS 68 -0.498 7.766 -12.332 554 HD2 HIS 68 2HD HIS 68 -4.069 9.804 -11.735 555 HE1 HIS 68 1HE HIS 68 -1.996 7.067 -14.227 556 HE2 HIS 68 2HE HIS 68 -4.120 8.378 -13.893 557 H MET 69 H MET 69 -1.836 12.673 -9.861 558 HA MET 69 HA MET 69 -3.135 13.354 -12.308 559 HB2 MET 69 1HB MET 69 -2.952 14.777 -9.651 560 HB3 MET 69 2HB MET 69 -3.922 15.357 -10.998 561 HG2 MET 69 1HG MET 69 -4.897 12.901 -10.871 562 HG3 MET 69 2HG MET 69 -4.353 13.043 -9.201 563 HE1 MET 69 3HE MET 69 -6.014 15.496 -7.501 564 HE2 MET 69 1HE MET 69 -7.012 14.042 -7.515 565 HE3 MET 69 2HE MET 69 -5.254 13.905 -7.561 566 H GLN 70 H GLN 70 -0.470 14.757 -10.444 567 HA GLN 70 HA GLN 70 -0.068 17.079 -11.909 568 HB2 GLN 70 1HB GLN 70 2.191 17.085 -11.033 569 HB3 GLN 70 2HB GLN 70 1.078 16.544 -9.785 570 HG2 GLN 70 1HG GLN 70 1.768 14.297 -10.006 571 HG3 GLN 70 2HG GLN 70 2.641 14.639 -11.499 572 HE21 GLN 70 1HE2 GLN 70 4.578 15.871 -11.378 573 HE22 GLN 70 2HE2 GLN 70 5.506 15.908 -9.922 574 H ASP 71 H ASP 71 0.901 13.782 -12.601 575 HA ASP 71 HA ASP 71 2.725 14.314 -14.674 576 HB2 ASP 71 1HB ASP 71 1.044 11.939 -13.934 577 HB3 ASP 71 2HB ASP 71 1.970 11.936 -15.433 578 H HIS 72 H HIS 72 -0.771 14.092 -14.614 579 HA HIS 72 HA HIS 72 -0.853 15.201 -17.312 580 HB2 HIS 72 1HB HIS 72 -2.840 13.538 -17.716 581 HB3 HIS 72 2HB HIS 72 -1.182 13.013 -17.994 582 HD1 HIS 72 1HD HIS 72 -4.167 12.323 -15.948 583 HD2 HIS 72 2HD HIS 72 -0.147 11.273 -15.961 584 HE1 HIS 72 1HE HIS 72 -3.982 10.349 -14.401 585 HE2 HIS 72 2HE HIS 72 -1.528 9.785 -14.359 586 HA PRO 73 HA PRO 73 -3.805 17.692 -15.094 587 HB2 PRO 73 1HB PRO 73 -4.404 19.330 -17.175 588 HB3 PRO 73 2HB PRO 73 -2.916 19.479 -16.231 589 HG2 PRO 73 1HG PRO 73 -3.351 18.173 -18.889 590 HG3 PRO 73 2HG PRO 73 -2.021 19.221 -18.362 591 HD2 PRO 73 1HD PRO 73 -1.796 16.525 -18.471 592 HD3 PRO 73 2HD PRO 73 -0.938 17.507 -17.266 593 H ASN 74 H ASN 74 -4.361 15.413 -17.446 594 HA ASN 74 HA ASN 74 -6.729 15.751 -18.644 595 HB2 ASN 74 1HB ASN 74 -5.552 13.386 -17.254 596 HB3 ASN 74 2HB ASN 74 -7.215 13.273 -17.821 597 HD21 ASN 74 1HD2 ASN 74 -4.089 14.477 -19.001 598 HD22 ASN 74 2HD2 ASN 74 -4.228 13.785 -20.578 599 H TYR 75 H TYR 75 -6.389 14.872 -15.215 600 HA TYR 75 HA TYR 75 -8.999 14.595 -14.469 601 HB2 TYR 75 1HB TYR 75 -8.338 15.285 -12.231 602 HB3 TYR 75 2HB TYR 75 -7.070 14.300 -12.951 603 HD1 TYR 75 1HD TYR 75 -8.010 17.689 -11.894 604 HD2 TYR 75 2HD TYR 75 -4.913 15.242 -13.482 605 HE1 TYR 75 1HE TYR 75 -6.376 19.468 -11.432 606 HE2 TYR 75 2HE TYR 75 -3.270 17.013 -13.024 607 HH TYR 75 HH TYR 75 -3.059 18.971 -11.469 608 H LYS 76 H LYS 76 -10.287 16.186 -13.086 609 HA LYS 76 HA LYS 76 -10.947 18.433 -14.720 610 HB2 LYS 76 1HB LYS 76 -12.498 18.936 -12.706 611 HB3 LYS 76 2HB LYS 76 -12.800 17.495 -13.669 612 HG2 LYS 76 1HG LYS 76 -12.132 16.073 -12.008 613 HG3 LYS 76 2HG LYS 76 -11.056 17.262 -11.271 614 HD2 LYS 76 1HD LYS 76 -12.764 17.231 -9.738 615 HD3 LYS 76 2HD LYS 76 -13.310 18.531 -10.800 616 HE2 LYS 76 1HE LYS 76 -14.817 17.059 -11.934 617 HE3 LYS 76 2HE LYS 76 -14.159 15.655 -11.095 618 HZ1 LYS 76 3HZ LYS 76 -16.302 17.197 -10.313 619 HZ2 LYS 76 1HZ LYS 76 -15.057 17.608 -9.243 620 HZ3 LYS 76 2HZ LYS 76 -15.533 15.993 -9.407 621 H SER 77 H SER 77 -9.310 19.918 -14.786 622 HA SER 77 HA SER 77 -7.692 20.758 -12.699 623 HB2 SER 77 1HB SER 77 -8.666 22.398 -15.050 624 HB3 SER 77 2HB SER 77 -7.272 22.780 -14.041 625 HG SER 77 HG SER 77 -7.550 20.900 -16.046 626 H GLY 78 H GLY 78 -8.164 21.708 -10.838 627 HA2 GLY 78 1HA GLY 78 -9.871 24.001 -10.691 628 HA3 GLY 78 2HA GLY 78 -10.633 22.576 -10.000 629 HA PRO 79 HA PRO 79 -7.375 24.689 -7.141 630 HB2 PRO 79 1HB PRO 79 -8.882 26.579 -5.905 631 HB3 PRO 79 2HB PRO 79 -7.933 26.907 -7.360 632 HG2 PRO 79 1HG PRO 79 -10.859 26.332 -7.096 633 HG3 PRO 79 2HG PRO 79 -10.044 27.545 -8.099 634 HD2 PRO 79 1HD PRO 79 -10.940 25.193 -9.098 635 HD3 PRO 79 2HD PRO 79 -9.498 26.012 -9.732 636 H SER 80 H SER 80 -7.306 24.365 -4.872 637 HA SER 80 HA SER 80 -9.079 22.322 -3.941 638 HB2 SER 80 1HB SER 80 -6.639 23.681 -2.908 639 HB3 SER 80 2HB SER 80 -7.689 22.894 -1.729 640 HG SER 80 HG SER 80 -5.949 21.786 -3.456 641 H SER 81 H SER 81 -9.818 22.579 -1.512 642 HA SER 81 HA SER 81 -11.635 23.405 -0.358 643 HB2 SER 81 1HB SER 81 -9.444 25.419 -0.316 644 HB3 SER 81 2HB SER 81 -11.002 25.906 0.352 645 HG SER 81 HG SER 81 -9.868 23.447 1.101 646 H GLY 82 H GLY 82 -12.374 23.429 -2.949 647 HA2 GLY 82 1HA GLY 82 -13.730 24.447 -4.506 648 HA3 GLY 82 2HA GLY 82 -14.481 25.183 -3.097 Start of MODEL 10 1 H1 GLY 1 H GLY 1 9.226 -7.272 -14.880 2 HA2 GLY 1 1HA GLY 1 11.592 -8.981 -14.482 3 HA3 GLY 1 2HA GLY 1 10.168 -9.420 -15.414 4 H SER 2 H SER 2 13.112 -7.520 -15.387 5 HA SER 2 HA SER 2 14.158 -6.325 -17.065 6 HB2 SER 2 1HB SER 2 13.657 -9.082 -18.180 7 HB3 SER 2 2HB SER 2 14.631 -7.892 -19.043 8 HG SER 2 HG SER 2 15.526 -9.506 -17.283 9 H SER 3 H SER 3 11.377 -5.733 -17.005 10 HA SER 3 HA SER 3 10.576 -5.640 -19.815 11 HB2 SER 3 1HB SER 3 8.414 -4.824 -18.956 12 HB3 SER 3 2HB SER 3 8.880 -6.341 -18.188 13 HG SER 3 HG SER 3 9.608 -5.118 -16.398 14 H GLY 4 H GLY 4 10.957 -3.404 -17.063 15 HA2 GLY 4 1HA GLY 4 12.034 -1.306 -17.185 16 HA3 GLY 4 2HA GLY 4 11.866 -1.348 -18.934 17 H SER 5 H SER 5 11.185 0.757 -16.973 18 HA SER 5 HA SER 5 8.653 1.485 -18.089 19 HB2 SER 5 1HB SER 5 7.504 1.725 -15.857 20 HB3 SER 5 2HB SER 5 7.745 0.059 -16.383 21 HG SER 5 HG SER 5 9.125 1.506 -14.394 22 H SER 6 H SER 6 8.104 3.667 -17.693 23 HA SER 6 HA SER 6 10.392 5.283 -16.881 24 HB2 SER 6 1HB SER 6 9.471 5.917 -18.992 25 HB3 SER 6 2HB SER 6 7.831 5.937 -18.346 26 HG SER 6 HG SER 6 9.234 8.001 -18.589 27 H GLY 7 H GLY 7 6.859 5.540 -16.409 28 HA2 GLY 7 1HA GLY 7 7.327 6.965 -13.905 29 HA3 GLY 7 2HA GLY 7 5.783 6.778 -14.724 30 H ILE 8 H ILE 8 4.479 5.858 -13.267 31 HA ILE 8 HA ILE 8 5.332 3.288 -12.125 32 HB ILE 8 HB ILE 8 3.800 5.402 -10.607 33 HG12 ILE 8 1HG1 ILE 8 5.957 5.175 -9.134 34 HG13 ILE 8 2HG1 ILE 8 6.685 4.585 -10.625 35 HG21 ILE 8 1HG2 ILE 8 4.144 2.561 -10.231 36 HG22 ILE 8 2HG2 ILE 8 4.774 3.470 -8.858 37 HG23 ILE 8 3HG2 ILE 8 3.101 3.692 -9.369 38 HD11 ILE 8 3HD1 ILE 8 5.200 7.018 -11.070 39 HD12 ILE 8 1HD1 ILE 8 6.428 7.221 -9.821 40 HD13 ILE 8 2HD1 ILE 8 6.886 6.641 -11.422 41 H ARG 9 H ARG 9 3.751 1.730 -11.942 42 HA ARG 9 HA ARG 9 1.809 1.405 -13.733 43 HB2 ARG 9 1HB ARG 9 1.826 0.574 -10.842 44 HB3 ARG 9 2HB ARG 9 0.516 0.107 -11.918 45 HG2 ARG 9 1HG ARG 9 2.425 -0.772 -13.441 46 HG3 ARG 9 2HG ARG 9 3.383 -0.717 -11.960 47 HD2 ARG 9 1HD ARG 9 0.707 -2.012 -11.868 48 HD3 ARG 9 2HD ARG 9 2.025 -2.875 -12.659 49 HE ARG 9 HE ARG 9 1.747 -2.321 -9.832 50 HH11 ARG 9 1HH1 ARG 9 3.866 -3.281 -12.422 51 HH12 ARG 9 2HH1 ARG 9 5.010 -4.053 -11.374 52 HH21 ARG 9 1HH2 ARG 9 3.245 -3.335 -8.443 53 HH22 ARG 9 2HH2 ARG 9 4.655 -4.085 -9.111 54 H ARG 10 H ARG 10 0.954 2.611 -10.483 55 HA ARG 10 HA ARG 10 -0.562 4.797 -11.395 56 HB2 ARG 10 1HB ARG 10 -2.792 3.601 -10.492 57 HB3 ARG 10 2HB ARG 10 -2.335 3.624 -12.190 58 HG2 ARG 10 1HG ARG 10 -3.071 1.401 -11.197 59 HG3 ARG 10 2HG ARG 10 -1.579 1.416 -12.139 60 HD2 ARG 10 1HD ARG 10 -0.265 1.032 -10.320 61 HD3 ARG 10 2HD ARG 10 -1.347 1.889 -9.224 62 HE ARG 10 HE ARG 10 -2.780 -0.295 -9.850 63 HH11 ARG 10 1HH1 ARG 10 0.508 0.123 -8.785 64 HH12 ARG 10 2HH1 ARG 10 0.575 -1.403 -7.968 65 HH21 ARG 10 1HH2 ARG 10 -2.704 -2.307 -8.778 66 HH22 ARG 10 2HH2 ARG 10 -1.252 -2.785 -7.965 67 HA PRO 11 HA PRO 11 -0.451 5.855 -7.139 68 HB2 PRO 11 1HB PRO 11 -2.765 7.231 -6.791 69 HB3 PRO 11 2HB PRO 11 -1.393 7.874 -7.701 70 HG2 PRO 11 1HG PRO 11 -3.894 6.575 -8.710 71 HG3 PRO 11 2HG PRO 11 -3.055 8.013 -9.322 72 HD2 PRO 11 1HD PRO 11 -2.807 5.578 -10.481 73 HD3 PRO 11 2HD PRO 11 -1.488 6.767 -10.465 74 H MET 12 H MET 12 -1.705 5.769 -5.045 75 HA MET 12 HA MET 12 -3.784 3.724 -4.977 76 HB2 MET 12 1HB MET 12 -1.593 3.404 -2.990 77 HB3 MET 12 2HB MET 12 -2.657 2.193 -3.693 78 HG2 MET 12 1HG MET 12 -1.327 2.733 -5.879 79 HG3 MET 12 2HG MET 12 -0.116 3.326 -4.745 80 HE1 MET 12 3HE MET 12 -0.001 0.111 -2.409 81 HE2 MET 12 1HE MET 12 1.216 1.302 -2.867 82 HE3 MET 12 2HE MET 12 -0.395 1.830 -2.381 83 H ASN 13 H ASN 13 -4.897 3.614 -2.912 84 HA ASN 13 HA ASN 13 -4.856 6.214 -1.554 85 HB2 ASN 13 1HB ASN 13 -7.120 5.884 -1.007 86 HB3 ASN 13 2HB ASN 13 -6.977 5.254 -2.645 87 HD21 ASN 13 1HD2 ASN 13 -6.579 2.893 -2.810 88 HD22 ASN 13 2HD2 ASN 13 -7.395 1.864 -1.688 89 H ALA 14 H ALA 14 -5.816 5.902 0.825 90 HA ALA 14 HA ALA 14 -3.800 4.915 2.418 91 HB1 ALA 14 3HB ALA 14 -6.631 5.650 2.881 92 HB2 ALA 14 1HB ALA 14 -5.819 4.725 4.144 93 HB3 ALA 14 2HB ALA 14 -5.159 6.275 3.624 94 H PHE 15 H PHE 15 -6.762 3.268 1.381 95 HA PHE 15 HA PHE 15 -6.416 0.924 2.886 96 HB2 PHE 15 1HB PHE 15 -8.555 1.277 1.944 97 HB3 PHE 15 2HB PHE 15 -7.894 1.512 0.329 98 HD1 PHE 15 1HD PHE 15 -8.664 -0.982 2.922 99 HD2 PHE 15 2HD PHE 15 -7.452 -0.329 -1.106 100 HE1 PHE 15 1HE PHE 15 -9.056 -3.359 2.422 101 HE2 PHE 15 2HE PHE 15 -7.842 -2.705 -1.612 102 HZ PHE 15 HZ PHE 15 -8.646 -4.223 0.153 103 H MET 16 H MET 16 -5.612 1.573 -0.526 104 HA MET 16 HA MET 16 -4.410 -0.887 -1.071 105 HB2 MET 16 1HB MET 16 -4.027 1.855 -2.257 106 HB3 MET 16 2HB MET 16 -3.161 0.450 -2.864 107 HG2 MET 16 1HG MET 16 -5.362 -0.649 -3.255 108 HG3 MET 16 2HG MET 16 -6.136 0.873 -2.820 109 HE1 MET 16 3HE MET 16 -2.820 0.730 -5.698 110 HE2 MET 16 1HE MET 16 -3.331 -0.608 -4.668 111 HE3 MET 16 2HE MET 16 -3.888 -0.520 -6.339 112 H VAL 17 H VAL 17 -2.737 2.201 -0.425 113 HA VAL 17 HA VAL 17 -0.163 1.435 -0.282 114 HB VAL 17 HB VAL 17 -1.561 3.259 1.676 115 HG11 VAL 17 1HG1 VAL 17 0.665 2.358 2.449 116 HG12 VAL 17 2HG1 VAL 17 1.386 3.192 1.071 117 HG13 VAL 17 3HG1 VAL 17 0.552 4.113 2.323 118 HG21 VAL 17 3HG2 VAL 17 -0.125 3.742 -0.927 119 HG22 VAL 17 1HG2 VAL 17 -1.815 4.074 -0.544 120 HG23 VAL 17 2HG2 VAL 17 -0.536 5.026 0.210 121 H TRP 18 H TRP 18 -2.264 1.394 2.605 122 HA TRP 18 HA TRP 18 -0.489 0.009 4.257 123 HB2 TRP 18 1HB TRP 18 -2.221 1.002 5.428 124 HB3 TRP 18 2HB TRP 18 -3.444 0.469 4.278 125 HD1 TRP 18 HD TRP 18 -1.692 -0.566 7.467 126 HE1 TRP 18 1HE TRP 18 -2.765 -2.727 8.363 127 HE3 TRP 18 3HE TRP 18 -4.628 -1.738 3.450 128 HZ2 TRP 18 2HZ TRP 18 -4.612 -4.672 7.482 129 HZ3 TRP 18 3HZ TRP 18 -6.018 -3.766 3.557 130 HH2 TRP 18 HH TRP 18 -6.008 -5.202 5.532 131 H ALA 19 H ALA 19 -2.596 -1.117 1.752 132 HA ALA 19 HA ALA 19 -2.610 -3.866 2.588 133 HB1 ALA 19 3HB ALA 19 -3.762 -2.290 0.408 134 HB2 ALA 19 1HB ALA 19 -3.295 -3.928 -0.051 135 HB3 ALA 19 2HB ALA 19 -4.420 -3.673 1.283 136 H LYS 20 H LYS 20 -0.669 -1.866 0.471 137 HA LYS 20 HA LYS 20 0.621 -3.640 -1.138 138 HB2 LYS 20 1HB LYS 20 2.265 -2.052 -1.417 139 HB3 LYS 20 2HB LYS 20 0.983 -1.069 -0.723 140 HG2 LYS 20 1HG LYS 20 2.154 -1.700 1.538 141 HG3 LYS 20 2HG LYS 20 3.544 -1.979 0.486 142 HD2 LYS 20 1HD LYS 20 1.973 0.556 0.252 143 HD3 LYS 20 2HD LYS 20 3.167 0.374 1.539 144 HE2 LYS 20 1HE LYS 20 4.707 -0.415 -0.432 145 HE3 LYS 20 2HE LYS 20 3.555 0.485 -1.417 146 HZ1 LYS 20 3HZ LYS 20 5.682 1.484 0.095 147 HZ2 LYS 20 1HZ LYS 20 4.252 2.059 0.792 148 HZ3 LYS 20 2HZ LYS 20 4.571 2.348 -0.844 149 H ASP 21 H ASP 21 0.972 -3.292 2.313 150 HA ASP 21 HA ASP 21 3.229 -5.143 2.375 151 HB2 ASP 21 1HB ASP 21 3.087 -3.044 3.824 152 HB3 ASP 21 2HB ASP 21 1.860 -3.898 4.756 153 H GLU 22 H GLU 22 -0.095 -4.892 3.600 154 HA GLU 22 HA GLU 22 -0.183 -7.399 4.862 155 HB2 GLU 22 1HB GLU 22 -2.395 -5.733 3.653 156 HB3 GLU 22 2HB GLU 22 -2.668 -7.164 4.637 157 HG2 GLU 22 1HG GLU 22 -1.772 -4.458 5.426 158 HG3 GLU 22 2HG GLU 22 -2.877 -5.570 6.233 159 H ARG 23 H ARG 23 -1.618 -6.477 1.725 160 HA ARG 23 HA ARG 23 -2.515 -8.824 0.783 161 HB2 ARG 23 1HB ARG 23 -2.579 -6.746 -0.513 162 HB3 ARG 23 2HB ARG 23 -0.848 -6.861 -0.801 163 HG2 ARG 23 1HG ARG 23 -1.544 -9.213 -1.799 164 HG3 ARG 23 2HG ARG 23 -3.082 -8.375 -2.023 165 HD2 ARG 23 1HD ARG 23 -2.060 -7.844 -3.995 166 HD3 ARG 23 2HD ARG 23 -1.516 -6.492 -3.002 167 HE ARG 23 HE ARG 23 0.626 -7.301 -3.129 168 HH11 ARG 23 1HH1 ARG 23 -1.600 -9.755 -4.198 169 HH12 ARG 23 2HH1 ARG 23 -0.357 -10.814 -4.777 170 HH21 ARG 23 1HH2 ARG 23 2.271 -8.686 -3.887 171 HH22 ARG 23 2HH2 ARG 23 1.844 -10.206 -4.599 172 H LYS 24 H LYS 24 0.890 -7.812 0.648 173 HA LYS 24 HA LYS 24 2.071 -9.830 -0.712 174 HB2 LYS 24 1HB LYS 24 3.090 -8.715 1.908 175 HB3 LYS 24 2HB LYS 24 4.060 -9.515 0.678 176 HG2 LYS 24 1HG LYS 24 2.487 -7.127 -0.120 177 HG3 LYS 24 2HG LYS 24 3.933 -6.889 0.863 178 HD2 LYS 24 1HD LYS 24 3.896 -8.490 -1.690 179 HD3 LYS 24 2HD LYS 24 4.298 -6.772 -1.620 180 HE2 LYS 24 1HE LYS 24 6.068 -7.399 0.080 181 HE3 LYS 24 2HE LYS 24 5.766 -9.078 -0.362 182 HZ1 LYS 24 3HZ LYS 24 7.262 -8.753 -1.955 183 HZ2 LYS 24 1HZ LYS 24 7.256 -7.073 -1.754 184 HZ3 LYS 24 2HZ LYS 24 6.105 -7.810 -2.751 185 H ARG 25 H ARG 25 1.094 -9.965 2.699 186 HA ARG 25 HA ARG 25 2.011 -12.605 3.149 187 HB2 ARG 25 1HB ARG 25 1.123 -12.399 5.259 188 HB3 ARG 25 2HB ARG 25 1.276 -10.703 4.817 189 HG2 ARG 25 1HG ARG 25 -1.187 -11.088 3.931 190 HG3 ARG 25 2HG ARG 25 -1.153 -12.371 5.143 191 HD2 ARG 25 1HD ARG 25 -0.492 -9.472 5.651 192 HD3 ARG 25 2HD ARG 25 -2.029 -10.246 6.032 193 HE ARG 25 HE ARG 25 0.151 -11.620 7.233 194 HH11 ARG 25 1HH1 ARG 25 -1.864 -8.798 7.538 195 HH12 ARG 25 2HH1 ARG 25 -1.659 -8.676 9.254 196 HH21 ARG 25 1HH2 ARG 25 0.429 -11.471 9.492 197 HH22 ARG 25 2HH2 ARG 25 -0.354 -10.197 10.364 198 H LEU 26 H LEU 26 -0.984 -11.270 1.922 199 HA LEU 26 HA LEU 26 -2.544 -13.626 2.144 200 HB2 LEU 26 1HB LEU 26 -2.892 -11.417 0.130 201 HB3 LEU 26 2HB LEU 26 -4.121 -12.532 0.722 202 HG LEU 26 HG LEU 26 -2.825 -10.270 2.237 203 HD11 LEU 26 1HD1 LEU 26 -5.337 -9.683 2.429 204 HD12 LEU 26 2HD1 LEU 26 -5.523 -10.752 1.039 205 HD13 LEU 26 3HD1 LEU 26 -4.484 -9.331 0.926 206 HD21 LEU 26 3HD2 LEU 26 -4.278 -10.913 4.102 207 HD22 LEU 26 1HD2 LEU 26 -3.112 -12.179 3.718 208 HD23 LEU 26 2HD2 LEU 26 -4.792 -12.343 3.206 209 H ALA 27 H ALA 27 -0.663 -12.225 -0.520 210 HA ALA 27 HA ALA 27 -1.290 -14.072 -2.502 211 HB1 ALA 27 3HB ALA 27 0.423 -13.158 -3.728 212 HB2 ALA 27 1HB ALA 27 0.132 -11.874 -2.554 213 HB3 ALA 27 2HB ALA 27 1.481 -12.988 -2.328 214 H GLN 28 H GLN 28 1.418 -14.133 -0.189 215 HA GLN 28 HA GLN 28 2.444 -16.623 -1.054 216 HB2 GLN 28 1HB GLN 28 3.698 -16.594 1.090 217 HB3 GLN 28 2HB GLN 28 3.850 -15.099 0.177 218 HG2 GLN 28 1HG GLN 28 2.538 -13.904 1.662 219 HG3 GLN 28 2HG GLN 28 1.781 -15.356 2.316 220 HE21 GLN 28 1HE2 GLN 28 2.376 -14.176 4.334 221 HE22 GLN 28 2HE2 GLN 28 3.934 -14.493 5.010 222 H GLN 29 H GLN 29 0.011 -15.713 1.294 223 HA GLN 29 HA GLN 29 -0.180 -18.295 2.508 224 HB2 GLN 29 1HB GLN 29 -1.680 -15.733 2.662 225 HB3 GLN 29 2HB GLN 29 -2.527 -17.191 3.161 226 HG2 GLN 29 1HG GLN 29 -0.524 -17.656 4.653 227 HG3 GLN 29 2HG GLN 29 -0.036 -15.994 4.323 228 HE21 GLN 29 1HE2 GLN 29 -0.554 -14.701 5.921 229 HE22 GLN 29 2HE2 GLN 29 -1.995 -14.773 6.872 230 H ASN 30 H ASN 30 -1.721 -16.681 -0.185 231 HA ASN 30 HA ASN 30 -3.109 -19.195 -0.817 232 HB2 ASN 30 1HB ASN 30 -4.268 -16.415 -1.119 233 HB3 ASN 30 2HB ASN 30 -5.040 -17.907 -1.648 234 HD21 ASN 30 1HD2 ASN 30 -4.918 -15.673 0.755 235 HD22 ASN 30 2HD2 ASN 30 -5.580 -16.605 2.050 236 HA PRO 31 HA PRO 31 -0.486 -17.925 -4.379 237 HB2 PRO 31 1HB PRO 31 0.205 -20.465 -5.044 238 HB3 PRO 31 2HB PRO 31 1.063 -19.526 -3.816 239 HG2 PRO 31 1HG PRO 31 -1.041 -21.627 -3.466 240 HG3 PRO 31 2HG PRO 31 0.462 -21.387 -2.557 241 HD2 PRO 31 1HD PRO 31 -1.949 -20.584 -1.623 242 HD3 PRO 31 2HD PRO 31 -0.445 -19.716 -1.254 243 H ASP 32 H ASP 32 -3.361 -19.628 -3.931 244 HA ASP 32 HA ASP 32 -3.753 -19.987 -6.825 245 HB2 ASP 32 1HB ASP 32 -4.808 -21.386 -4.421 246 HB3 ASP 32 2HB ASP 32 -5.888 -21.237 -5.805 247 H LEU 33 H LEU 33 -4.640 -18.080 -4.148 248 HA LEU 33 HA LEU 33 -7.172 -17.213 -5.264 249 HB2 LEU 33 1HB LEU 33 -5.606 -16.403 -2.828 250 HB3 LEU 33 2HB LEU 33 -7.097 -15.602 -3.316 251 HG LEU 33 HG LEU 33 -6.777 -18.470 -2.443 252 HD11 LEU 33 1HD1 LEU 33 -8.460 -16.311 -1.209 253 HD12 LEU 33 2HD1 LEU 33 -6.789 -16.600 -0.726 254 HD13 LEU 33 3HD1 LEU 33 -7.997 -17.870 -0.527 255 HD21 LEU 33 3HD2 LEU 33 -8.792 -17.215 -4.097 256 HD22 LEU 33 1HD2 LEU 33 -9.479 -17.862 -2.607 257 HD23 LEU 33 2HD2 LEU 33 -8.566 -18.916 -3.687 258 H HIS 34 H HIS 34 -7.620 -14.991 -5.791 259 HA HIS 34 HA HIS 34 -5.243 -13.544 -6.763 260 HB2 HIS 34 1HB HIS 34 -6.758 -12.619 -8.538 261 HB3 HIS 34 2HB HIS 34 -6.470 -14.352 -8.661 262 HD1 HIS 34 1HD HIS 34 -9.141 -11.863 -8.350 263 HD2 HIS 34 2HD HIS 34 -8.717 -15.958 -7.797 264 HE1 HIS 34 1HE HIS 34 -11.482 -12.778 -8.282 265 HE2 HIS 34 2HE HIS 34 -11.202 -15.245 -7.862 266 H ASN 35 H ASN 35 -5.780 -11.145 -7.157 267 HA ASN 35 HA ASN 35 -6.034 -9.744 -4.904 268 HB2 ASN 35 1HB ASN 35 -5.760 -8.914 -7.351 269 HB3 ASN 35 2HB ASN 35 -7.510 -8.716 -7.312 270 HD21 ASN 35 1HD2 ASN 35 -4.805 -8.065 -5.103 271 HD22 ASN 35 2HD2 ASN 35 -5.268 -6.440 -4.746 272 H ALA 36 H ALA 36 -8.903 -10.004 -7.004 273 HA ALA 36 HA ALA 36 -10.867 -9.091 -5.454 274 HB1 ALA 36 3HB ALA 36 -11.576 -11.721 -6.553 275 HB2 ALA 36 1HB ALA 36 -12.294 -10.136 -6.840 276 HB3 ALA 36 2HB ALA 36 -10.828 -10.609 -7.698 277 H GLU 37 H GLU 37 -9.285 -12.211 -4.994 278 HA GLU 37 HA GLU 37 -11.001 -12.965 -2.809 279 HB2 GLU 37 1HB GLU 37 -8.448 -14.148 -3.902 280 HB3 GLU 37 2HB GLU 37 -9.320 -14.830 -2.537 281 HG2 GLU 37 1HG GLU 37 -10.829 -14.344 -5.042 282 HG3 GLU 37 2HG GLU 37 -9.685 -15.684 -5.008 283 H LEU 38 H LEU 38 -7.687 -11.771 -3.170 284 HA LEU 38 HA LEU 38 -6.932 -11.912 -0.478 285 HB2 LEU 38 1HB LEU 38 -6.012 -9.765 -2.363 286 HB3 LEU 38 2HB LEU 38 -5.124 -10.510 -1.035 287 HG LEU 38 HG LEU 38 -5.809 -11.779 -3.685 288 HD11 LEU 38 1HD1 LEU 38 -3.929 -10.040 -3.482 289 HD12 LEU 38 2HD1 LEU 38 -3.556 -11.590 -4.233 290 HD13 LEU 38 3HD1 LEU 38 -3.075 -11.281 -2.565 291 HD21 LEU 38 3HD2 LEU 38 -4.307 -13.617 -2.793 292 HD22 LEU 38 1HD2 LEU 38 -5.926 -13.520 -2.100 293 HD23 LEU 38 2HD2 LEU 38 -4.543 -12.900 -1.198 294 H SER 39 H SER 39 -8.357 -9.228 -2.322 295 HA SER 39 HA SER 39 -8.369 -7.217 -0.497 296 HB2 SER 39 1HB SER 39 -9.516 -7.494 -2.893 297 HB3 SER 39 2HB SER 39 -10.958 -7.686 -1.895 298 HG SER 39 HG SER 39 -9.360 -5.595 -1.131 299 H LYS 40 H LYS 40 -10.936 -9.678 -0.759 300 HA LYS 40 HA LYS 40 -12.629 -9.040 1.215 301 HB2 LYS 40 1HB LYS 40 -11.475 -11.762 0.612 302 HB3 LYS 40 2HB LYS 40 -12.819 -11.521 1.721 303 HG2 LYS 40 1HG LYS 40 -13.054 -10.344 -0.989 304 HG3 LYS 40 2HG LYS 40 -13.174 -12.099 -0.839 305 HD2 LYS 40 1HD LYS 40 -14.876 -11.646 1.014 306 HD3 LYS 40 2HD LYS 40 -14.910 -9.988 0.411 307 HE2 LYS 40 1HE LYS 40 -15.943 -10.573 -1.541 308 HE3 LYS 40 2HE LYS 40 -15.238 -12.189 -1.556 309 HZ1 LYS 40 3HZ LYS 40 -17.648 -12.179 -1.125 310 HZ2 LYS 40 1HZ LYS 40 -17.380 -11.312 0.303 311 HZ3 LYS 40 2HZ LYS 40 -16.766 -12.879 0.137 312 H MET 41 H MET 41 -9.347 -10.156 1.671 313 HA MET 41 HA MET 41 -9.684 -10.274 4.565 314 HB2 MET 41 1HB MET 41 -7.143 -10.724 3.003 315 HB3 MET 41 2HB MET 41 -7.501 -11.238 4.647 316 HG2 MET 41 1HG MET 41 -9.025 -12.886 3.896 317 HG3 MET 41 2HG MET 41 -9.009 -12.245 2.254 318 HE1 MET 41 3HE MET 41 -7.719 -14.795 0.802 319 HE2 MET 41 1HE MET 41 -8.112 -13.084 0.627 320 HE3 MET 41 2HE MET 41 -6.449 -13.633 0.419 321 H LEU 42 H LEU 42 -8.121 -8.333 2.090 322 HA LEU 42 HA LEU 42 -6.586 -6.718 3.838 323 HB2 LEU 42 1HB LEU 42 -7.625 -6.188 1.059 324 HB3 LEU 42 2HB LEU 42 -6.471 -5.159 1.905 325 HG LEU 42 HG LEU 42 -5.986 -8.036 1.133 326 HD11 LEU 42 1HD1 LEU 42 -4.650 -7.245 -0.647 327 HD12 LEU 42 2HD1 LEU 42 -4.766 -5.575 -0.092 328 HD13 LEU 42 3HD1 LEU 42 -6.184 -6.382 -0.764 329 HD21 LEU 42 3HD2 LEU 42 -3.664 -6.416 1.671 330 HD22 LEU 42 1HD2 LEU 42 -4.147 -7.959 2.377 331 HD23 LEU 42 2HD2 LEU 42 -4.745 -6.449 3.065 332 H GLY 43 H GLY 43 -9.922 -6.760 3.000 333 HA2 GLY 43 1HA GLY 43 -10.415 -4.006 3.742 334 HA3 GLY 43 2HA GLY 43 -11.625 -5.208 3.320 335 H LYS 44 H LYS 44 -11.221 -7.188 5.120 336 HA LYS 44 HA LYS 44 -12.558 -6.314 7.387 337 HB2 LYS 44 1HB LYS 44 -12.070 -8.483 8.352 338 HB3 LYS 44 2HB LYS 44 -12.441 -8.671 6.644 339 HG2 LYS 44 1HG LYS 44 -10.141 -8.981 6.101 340 HG3 LYS 44 2HG LYS 44 -9.641 -8.545 7.737 341 HD2 LYS 44 1HD LYS 44 -9.526 -10.893 7.666 342 HD3 LYS 44 2HD LYS 44 -11.031 -10.533 8.517 343 HE2 LYS 44 1HE LYS 44 -12.035 -10.667 6.083 344 HE3 LYS 44 2HE LYS 44 -10.602 -11.650 5.789 345 HZ1 LYS 44 3HZ LYS 44 -12.998 -12.336 7.154 346 HZ2 LYS 44 1HZ LYS 44 -11.653 -12.581 8.151 347 HZ3 LYS 44 2HZ LYS 44 -11.734 -13.337 6.640 348 H SER 45 H SER 45 -9.101 -6.647 6.801 349 HA SER 45 HA SER 45 -8.372 -6.044 9.515 350 HB2 SER 45 1HB SER 45 -6.850 -6.404 6.948 351 HB3 SER 45 2HB SER 45 -6.048 -5.755 8.379 352 HG SER 45 HG SER 45 -7.522 -8.172 8.408 353 H TRP 46 H TRP 46 -8.907 -4.253 6.583 354 HA TRP 46 HA TRP 46 -7.571 -1.869 7.407 355 HB2 TRP 46 1HB TRP 46 -7.976 -2.370 5.037 356 HB3 TRP 46 2HB TRP 46 -9.714 -2.271 5.308 357 HD1 TRP 46 HD TRP 46 -10.741 -0.012 4.707 358 HE1 TRP 46 1HE TRP 46 -9.882 2.401 4.450 359 HE3 TRP 46 3HE TRP 46 -5.888 -0.720 6.150 360 HZ2 TRP 46 2HZ TRP 46 -7.466 3.816 4.811 361 HZ3 TRP 46 3HZ TRP 46 -4.368 1.214 6.166 362 HH2 TRP 46 HH TRP 46 -5.143 3.435 5.509 363 H LYS 47 H LYS 47 -11.053 -2.343 6.806 364 HA LYS 47 HA LYS 47 -12.062 -0.144 8.021 365 HB2 LYS 47 1HB LYS 47 -13.072 -2.918 7.686 366 HB3 LYS 47 2HB LYS 47 -13.952 -1.877 8.797 367 HG2 LYS 47 1HG LYS 47 -14.715 -0.518 7.144 368 HG3 LYS 47 2HG LYS 47 -13.300 -0.781 6.122 369 HD2 LYS 47 1HD LYS 47 -15.595 -1.797 5.433 370 HD3 LYS 47 2HD LYS 47 -14.127 -2.761 5.261 371 HE2 LYS 47 1HE LYS 47 -14.647 -4.113 7.059 372 HE3 LYS 47 2HE LYS 47 -15.693 -2.903 7.799 373 HZ1 LYS 47 3HZ LYS 47 -16.319 -4.451 5.342 374 HZ2 LYS 47 1HZ LYS 47 -17.324 -3.298 6.066 375 HZ3 LYS 47 2HZ LYS 47 -16.967 -4.737 6.878 376 H ALA 48 H ALA 48 -10.831 -3.018 9.613 377 HA ALA 48 HA ALA 48 -11.774 -2.471 12.211 378 HB1 ALA 48 3HB ALA 48 -9.683 -4.217 11.038 379 HB2 ALA 48 1HB ALA 48 -9.593 -3.883 12.768 380 HB3 ALA 48 2HB ALA 48 -11.043 -4.621 12.086 381 H LEU 49 H LEU 49 -8.785 -1.576 10.539 382 HA LEU 49 HA LEU 49 -7.352 -0.487 12.632 383 HB2 LEU 49 1HB LEU 49 -7.529 0.371 9.753 384 HB3 LEU 49 2HB LEU 49 -6.357 1.034 10.890 385 HG LEU 49 HG LEU 49 -6.523 -1.896 10.207 386 HD11 LEU 49 1HD1 LEU 49 -4.441 -1.360 8.850 387 HD12 LEU 49 2HD1 LEU 49 -4.962 0.322 8.918 388 HD13 LEU 49 3HD1 LEU 49 -5.991 -0.889 8.155 389 HD21 LEU 49 3HD2 LEU 49 -5.417 -1.516 12.285 390 HD22 LEU 49 1HD2 LEU 49 -4.483 -0.180 11.610 391 HD23 LEU 49 2HD2 LEU 49 -4.175 -1.831 11.072 392 H THR 50 H THR 50 -6.970 1.790 13.175 393 HA THR 50 HA THR 50 -9.504 3.284 13.218 394 HB THR 50 HB THR 50 -8.770 4.363 15.221 395 HG1 THR 50 1HG THR 50 -6.275 3.354 14.445 396 HG21 THR 50 3HG2 THR 50 -8.474 2.477 16.742 397 HG22 THR 50 1HG2 THR 50 -8.035 1.437 15.388 398 HG23 THR 50 2HG2 THR 50 -9.668 2.093 15.504 399 H LEU 51 H LEU 51 -9.023 5.758 13.571 400 HA LEU 51 HA LEU 51 -8.078 6.797 11.183 401 HB2 LEU 51 1HB LEU 51 -9.555 8.012 12.693 402 HB3 LEU 51 2HB LEU 51 -8.253 8.151 13.872 403 HG LEU 51 HG LEU 51 -8.829 10.195 12.424 404 HD11 LEU 51 1HD1 LEU 51 -5.942 9.611 12.168 405 HD12 LEU 51 2HD1 LEU 51 -6.638 9.513 13.785 406 HD13 LEU 51 3HD1 LEU 51 -6.764 11.010 12.861 407 HD21 LEU 51 3HD2 LEU 51 -7.328 8.494 10.440 408 HD22 LEU 51 1HD2 LEU 51 -7.538 10.239 10.285 409 HD23 LEU 51 2HD2 LEU 51 -8.946 9.176 10.267 410 H ALA 52 H ALA 52 -6.447 6.982 14.354 411 HA ALA 52 HA ALA 52 -4.065 8.099 13.537 412 HB1 ALA 52 3HB ALA 52 -4.905 7.493 15.903 413 HB2 ALA 52 1HB ALA 52 -4.091 5.953 15.624 414 HB3 ALA 52 2HB ALA 52 -3.171 7.458 15.581 415 H GLU 53 H GLU 53 -5.162 4.793 13.220 416 HA GLU 53 HA GLU 53 -2.625 3.680 12.554 417 HB2 GLU 53 1HB GLU 53 -5.465 2.746 12.326 418 HB3 GLU 53 2HB GLU 53 -4.178 1.841 11.543 419 HG2 GLU 53 1HG GLU 53 -4.116 2.542 14.460 420 HG3 GLU 53 2HG GLU 53 -4.871 1.072 13.846 421 H LYS 54 H LYS 54 -5.261 5.098 10.720 422 HA LYS 54 HA LYS 54 -4.050 4.416 8.176 423 HB2 LYS 54 1HB LYS 54 -6.425 6.205 8.714 424 HB3 LYS 54 2HB LYS 54 -5.970 5.490 7.173 425 HG2 LYS 54 1HG LYS 54 -6.543 3.313 7.911 426 HG3 LYS 54 2HG LYS 54 -6.708 3.853 9.584 427 HD2 LYS 54 1HD LYS 54 -8.736 4.873 9.195 428 HD3 LYS 54 2HD LYS 54 -8.407 5.110 7.477 429 HE2 LYS 54 1HE LYS 54 -9.950 3.415 7.386 430 HE3 LYS 54 2HE LYS 54 -8.451 2.488 7.429 431 HZ1 LYS 54 3HZ LYS 54 -10.538 2.138 9.101 432 HZ2 LYS 54 1HZ LYS 54 -9.514 3.112 10.032 433 HZ3 LYS 54 2HZ LYS 54 -8.952 1.640 9.417 434 H ARG 55 H ARG 55 -3.583 6.773 10.477 435 HA ARG 55 HA ARG 55 -3.294 9.138 9.044 436 HB2 ARG 55 1HB ARG 55 -2.979 8.485 11.626 437 HB3 ARG 55 2HB ARG 55 -1.287 8.561 11.154 438 HG2 ARG 55 1HG ARG 55 -1.703 10.702 11.900 439 HG3 ARG 55 2HG ARG 55 -1.911 10.860 10.155 440 HD2 ARG 55 1HD ARG 55 -4.400 10.364 10.647 441 HD3 ARG 55 2HD ARG 55 -3.991 10.785 12.309 442 HE ARG 55 HE ARG 55 -4.304 12.580 10.107 443 HH11 ARG 55 1HH1 ARG 55 -2.655 12.085 13.133 444 HH12 ARG 55 2HH1 ARG 55 -2.423 13.776 13.433 445 HH21 ARG 55 1HH2 ARG 55 -4.005 14.809 10.490 446 HH22 ARG 55 2HH2 ARG 55 -3.192 15.324 11.929 447 HA PRO 56 HA PRO 56 1.304 7.813 8.240 448 HB2 PRO 56 1HB PRO 56 1.852 5.166 8.494 449 HB3 PRO 56 2HB PRO 56 2.011 6.313 9.829 450 HG2 PRO 56 1HG PRO 56 -0.221 4.414 9.220 451 HG3 PRO 56 2HG PRO 56 0.536 4.787 10.779 452 HD2 PRO 56 1HD PRO 56 -1.830 5.859 10.016 453 HD3 PRO 56 2HD PRO 56 -0.676 6.729 11.046 454 H PHE 57 H PHE 57 -1.344 5.662 7.416 455 HA PHE 57 HA PHE 57 -0.166 5.082 4.807 456 HB2 PHE 57 1HB PHE 57 -2.786 4.085 5.939 457 HB3 PHE 57 2HB PHE 57 -1.920 3.448 4.544 458 HD1 PHE 57 1HD PHE 57 0.545 2.655 5.064 459 HD2 PHE 57 2HD PHE 57 -2.569 2.997 7.946 460 HE1 PHE 57 1HE PHE 57 1.723 1.060 6.522 461 HE2 PHE 57 2HE PHE 57 -1.396 1.404 9.408 462 HZ PHE 57 HZ PHE 57 0.753 0.434 8.697 463 H VAL 58 H VAL 58 -2.204 7.340 6.223 464 HA VAL 58 HA VAL 58 -3.787 7.806 3.817 465 HB VAL 58 HB VAL 58 -3.870 8.940 6.596 466 HG11 VAL 58 1HG1 VAL 58 -5.360 10.000 4.197 467 HG12 VAL 58 2HG1 VAL 58 -5.626 10.484 5.873 468 HG13 VAL 58 3HG1 VAL 58 -4.089 10.841 5.084 469 HG21 VAL 58 3HG2 VAL 58 -5.818 7.798 6.824 470 HG22 VAL 58 1HG2 VAL 58 -6.266 8.007 5.131 471 HG23 VAL 58 2HG2 VAL 58 -5.081 6.783 5.585 472 H GLU 59 H GLU 59 -1.225 9.298 5.715 473 HA GLU 59 HA GLU 59 -1.164 11.708 4.163 474 HB2 GLU 59 1HB GLU 59 0.963 10.608 6.006 475 HB3 GLU 59 2HB GLU 59 0.816 12.267 5.444 476 HG2 GLU 59 1HG GLU 59 -1.473 11.088 6.916 477 HG3 GLU 59 2HG GLU 59 -0.026 11.517 7.827 478 H GLU 60 H GLU 60 -0.108 8.570 3.618 479 HA GLU 60 HA GLU 60 2.123 9.372 1.909 480 HB2 GLU 60 1HB GLU 60 2.691 7.494 3.203 481 HB3 GLU 60 2HB GLU 60 1.133 6.726 2.933 482 HG2 GLU 60 1HG GLU 60 1.718 5.937 0.871 483 HG3 GLU 60 2HG GLU 60 2.894 7.220 0.592 484 H ALA 61 H ALA 61 -0.754 7.280 1.624 485 HA ALA 61 HA ALA 61 -0.775 6.853 -1.075 486 HB1 ALA 61 3HB ALA 61 -2.708 5.864 -0.613 487 HB2 ALA 61 1HB ALA 61 -2.583 6.503 1.027 488 HB3 ALA 61 2HB ALA 61 -3.461 7.407 -0.208 489 H GLU 62 H GLU 62 -2.128 9.662 0.630 490 HA GLU 62 HA GLU 62 -3.314 11.000 -1.453 491 HB2 GLU 62 1HB GLU 62 -3.475 11.827 0.806 492 HB3 GLU 62 2HB GLU 62 -1.743 12.124 0.869 493 HG2 GLU 62 1HG GLU 62 -2.439 14.233 0.457 494 HG3 GLU 62 2HG GLU 62 -2.313 13.667 -1.208 495 H ARG 63 H ARG 63 0.048 11.509 -0.364 496 HA ARG 63 HA ARG 63 0.898 13.239 -2.310 497 HB2 ARG 63 1HB ARG 63 2.475 10.967 -1.087 498 HB3 ARG 63 2HB ARG 63 3.170 12.340 -1.937 499 HG2 ARG 63 1HG ARG 63 2.745 13.797 -0.222 500 HG3 ARG 63 2HG ARG 63 1.389 12.849 0.391 501 HD2 ARG 63 1HD ARG 63 3.158 12.618 1.957 502 HD3 ARG 63 2HD ARG 63 3.055 11.097 1.072 503 HE ARG 63 HE ARG 63 4.919 12.695 -0.233 504 HH11 ARG 63 1HH1 ARG 63 4.526 11.138 2.856 505 HH12 ARG 63 2HH1 ARG 63 6.226 10.926 3.112 506 HH21 ARG 63 1HH2 ARG 63 7.160 12.422 0.093 507 HH22 ARG 63 2HH2 ARG 63 7.724 11.658 1.540 508 H LEU 64 H LEU 64 0.950 9.685 -2.471 509 HA LEU 64 HA LEU 64 2.089 9.410 -4.991 510 HB2 LEU 64 1HB LEU 64 -0.094 7.607 -4.006 511 HB3 LEU 64 2HB LEU 64 1.313 7.199 -4.986 512 HG LEU 64 HG LEU 64 1.275 7.840 -2.040 513 HD11 LEU 64 1HD1 LEU 64 2.517 5.392 -2.580 514 HD12 LEU 64 2HD1 LEU 64 1.051 5.414 -3.559 515 HD13 LEU 64 3HD1 LEU 64 0.950 5.659 -1.816 516 HD21 LEU 64 3HD2 LEU 64 3.480 7.739 -4.020 517 HD22 LEU 64 1HD2 LEU 64 3.761 6.993 -2.447 518 HD23 LEU 64 2HD2 LEU 64 3.318 8.697 -2.548 519 H ARG 65 H ARG 65 -1.351 9.641 -4.114 520 HA ARG 65 HA ARG 65 -2.430 9.401 -6.666 521 HB2 ARG 65 1HB ARG 65 -3.872 9.311 -4.756 522 HB3 ARG 65 2HB ARG 65 -3.401 10.928 -4.252 523 HG2 ARG 65 1HG ARG 65 -4.382 11.591 -6.598 524 HG3 ARG 65 2HG ARG 65 -5.267 10.076 -6.402 525 HD2 ARG 65 1HD ARG 65 -5.756 11.065 -4.010 526 HD3 ARG 65 2HD ARG 65 -5.426 12.596 -4.821 527 HE ARG 65 HE ARG 65 -7.213 11.292 -6.443 528 HH11 ARG 65 1HH1 ARG 65 -7.153 12.345 -3.125 529 HH12 ARG 65 2HH1 ARG 65 -8.865 12.595 -3.037 530 HH21 ARG 65 1HH2 ARG 65 -9.468 11.617 -6.339 531 HH22 ARG 65 2HH2 ARG 65 -10.181 12.179 -4.866 532 H VAL 66 H VAL 66 -1.837 12.438 -4.884 533 HA VAL 66 HA VAL 66 -2.392 14.187 -6.973 534 HB VAL 66 HB VAL 66 -0.998 15.840 -5.766 535 HG11 VAL 66 1HG1 VAL 66 -3.282 15.558 -5.076 536 HG12 VAL 66 2HG1 VAL 66 -2.854 14.166 -4.078 537 HG13 VAL 66 3HG1 VAL 66 -2.282 15.777 -3.640 538 HG21 VAL 66 3HG2 VAL 66 0.762 14.247 -5.054 539 HG22 VAL 66 1HG2 VAL 66 0.153 15.245 -3.734 540 HG23 VAL 66 2HG2 VAL 66 -0.369 13.567 -3.884 541 H GLN 67 H GLN 67 0.487 12.335 -6.287 542 HA GLN 67 HA GLN 67 2.238 13.756 -8.015 543 HB2 GLN 67 1HB GLN 67 2.299 11.159 -6.568 544 HB3 GLN 67 2HB GLN 67 3.408 11.356 -7.919 545 HG2 GLN 67 1HG GLN 67 4.402 13.286 -6.888 546 HG3 GLN 67 2HG GLN 67 3.214 13.245 -5.586 547 HE21 GLN 67 1HE2 GLN 67 3.445 11.792 -3.933 548 HE22 GLN 67 2HE2 GLN 67 4.860 10.826 -3.713 549 H HIS 68 H HIS 68 -0.202 11.376 -8.522 550 HA HIS 68 HA HIS 68 0.788 10.611 -11.140 551 HB2 HIS 68 1HB HIS 68 -0.259 8.852 -9.922 552 HB3 HIS 68 2HB HIS 68 -1.664 9.848 -9.555 553 HD1 HIS 68 1HD HIS 68 -0.101 7.864 -12.328 554 HD2 HIS 68 2HD HIS 68 -3.616 9.930 -11.531 555 HE1 HIS 68 1HE HIS 68 -1.678 7.250 -14.188 556 HE2 HIS 68 2HE HIS 68 -3.769 8.578 -13.731 557 H MET 69 H MET 69 -1.781 12.579 -9.743 558 HA MET 69 HA MET 69 -3.066 13.156 -12.219 559 HB2 MET 69 1HB MET 69 -3.159 14.618 -9.574 560 HB3 MET 69 2HB MET 69 -4.230 14.926 -10.934 561 HG2 MET 69 1HG MET 69 -4.733 12.362 -10.703 562 HG3 MET 69 2HG MET 69 -4.154 12.622 -9.060 563 HE1 MET 69 3HE MET 69 -6.271 12.959 -7.219 564 HE2 MET 69 1HE MET 69 -4.997 14.156 -7.454 565 HE3 MET 69 2HE MET 69 -6.678 14.673 -7.317 566 H GLN 70 H GLN 70 -0.630 14.804 -10.259 567 HA GLN 70 HA GLN 70 -0.505 17.222 -11.620 568 HB2 GLN 70 1HB GLN 70 1.773 17.425 -10.743 569 HB3 GLN 70 2HB GLN 70 0.670 16.818 -9.515 570 HG2 GLN 70 1HG GLN 70 1.527 14.625 -9.693 571 HG3 GLN 70 2HG GLN 70 2.411 15.015 -11.167 572 HE21 GLN 70 1HE2 GLN 70 4.370 16.033 -11.035 573 HE22 GLN 70 2HE2 GLN 70 5.207 16.289 -9.546 574 H ASP 71 H ASP 71 0.764 14.087 -12.477 575 HA ASP 71 HA ASP 71 2.606 14.873 -14.446 576 HB2 ASP 71 1HB ASP 71 1.035 12.354 -13.968 577 HB3 ASP 71 2HB ASP 71 2.057 12.522 -15.394 578 H HIS 72 H HIS 72 -0.815 14.915 -14.412 579 HA HIS 72 HA HIS 72 -0.861 15.970 -17.109 580 HB2 HIS 72 1HB HIS 72 -2.911 14.369 -17.535 581 HB3 HIS 72 2HB HIS 72 -1.267 13.831 -17.868 582 HD1 HIS 72 1HD HIS 72 -4.178 13.211 -15.646 583 HD2 HIS 72 2HD HIS 72 -0.255 11.905 -16.057 584 HE1 HIS 72 1HE HIS 72 -4.000 11.155 -14.208 585 HE2 HIS 72 2HE HIS 72 -1.595 10.432 -14.406 586 HA PRO 73 HA PRO 73 -3.754 18.498 -14.855 587 HB2 PRO 73 1HB PRO 73 -4.283 20.203 -16.900 588 HB3 PRO 73 2HB PRO 73 -2.800 20.284 -15.942 589 HG2 PRO 73 1HG PRO 73 -3.251 19.055 -18.634 590 HG3 PRO 73 2HG PRO 73 -1.895 20.049 -18.071 591 HD2 PRO 73 1HD PRO 73 -1.751 17.350 -18.242 592 HD3 PRO 73 2HD PRO 73 -0.874 18.277 -17.007 593 H ASN 74 H ASN 74 -4.382 16.201 -17.096 594 HA ASN 74 HA ASN 74 -6.809 16.771 -18.268 595 HB2 ASN 74 1HB ASN 74 -5.579 14.223 -17.270 596 HB3 ASN 74 2HB ASN 74 -7.221 14.212 -17.907 597 HD21 ASN 74 1HD2 ASN 74 -4.026 15.511 -18.743 598 HD22 ASN 74 2HD2 ASN 74 -4.120 15.120 -20.423 599 H TYR 75 H TYR 75 -6.564 14.764 -15.333 600 HA TYR 75 HA TYR 75 -9.075 14.611 -14.487 601 HB2 TYR 75 1HB TYR 75 -8.313 14.601 -12.186 602 HB3 TYR 75 2HB TYR 75 -7.110 13.811 -13.199 603 HD1 TYR 75 2HD TYR 75 -5.367 15.698 -14.219 604 HD2 TYR 75 1HD TYR 75 -7.423 15.881 -10.499 605 HE1 TYR 75 2HE TYR 75 -3.633 17.206 -13.342 606 HE2 TYR 75 1HE TYR 75 -5.696 17.390 -9.612 607 HH TYR 75 HH TYR 75 -3.518 19.003 -11.501 608 H LYS 76 H LYS 76 -7.057 17.455 -13.748 609 HA LYS 76 HA LYS 76 -9.054 19.344 -14.263 610 HB2 LYS 76 1HB LYS 76 -9.548 20.056 -11.913 611 HB3 LYS 76 2HB LYS 76 -10.247 18.506 -12.362 612 HG2 LYS 76 1HG LYS 76 -8.641 17.311 -11.103 613 HG3 LYS 76 2HG LYS 76 -7.645 18.751 -10.878 614 HD2 LYS 76 1HD LYS 76 -8.700 18.709 -8.855 615 HD3 LYS 76 2HD LYS 76 -9.873 19.663 -9.767 616 HE2 LYS 76 1HE LYS 76 -10.137 16.696 -9.755 617 HE3 LYS 76 2HE LYS 76 -10.618 17.593 -8.315 618 HZ1 LYS 76 3HZ LYS 76 -11.632 18.149 -11.049 619 HZ2 LYS 76 1HZ LYS 76 -12.162 18.861 -9.608 620 HZ3 LYS 76 2HZ LYS 76 -12.451 17.220 -9.897 621 H SER 77 H SER 77 -8.039 21.212 -14.598 622 HA SER 77 HA SER 77 -5.609 21.805 -13.054 623 HB2 SER 77 1HB SER 77 -4.625 22.750 -15.188 624 HB3 SER 77 2HB SER 77 -4.764 20.993 -15.140 625 HG SER 77 HG SER 77 -5.662 22.507 -17.009 626 H GLY 78 H GLY 78 -6.846 23.263 -11.811 627 HA2 GLY 78 1HA GLY 78 -6.956 25.673 -11.567 628 HA3 GLY 78 2HA GLY 78 -7.466 25.765 -13.246 629 HA PRO 79 HA PRO 79 -11.269 26.160 -10.677 630 HB2 PRO 79 1HB PRO 79 -12.395 28.064 -12.251 631 HB3 PRO 79 2HB PRO 79 -11.252 28.440 -10.957 632 HG2 PRO 79 1HG PRO 79 -10.770 28.207 -13.902 633 HG3 PRO 79 2HG PRO 79 -10.159 29.419 -12.762 634 HD2 PRO 79 1HD PRO 79 -8.658 27.332 -13.611 635 HD3 PRO 79 2HD PRO 79 -8.487 28.034 -11.990 636 H SER 80 H SER 80 -12.440 24.373 -11.084 637 HA SER 80 HA SER 80 -12.963 23.291 -13.620 638 HB2 SER 80 1HB SER 80 -14.660 21.904 -12.453 639 HB3 SER 80 2HB SER 80 -13.117 21.935 -11.601 640 HG SER 80 HG SER 80 -15.224 22.320 -10.401 641 H SER 81 H SER 81 -14.189 24.079 -15.184 642 HA SER 81 HA SER 81 -16.621 25.575 -14.451 643 HB2 SER 81 1HB SER 81 -14.504 26.198 -16.480 644 HB3 SER 81 2HB SER 81 -16.164 26.717 -16.774 645 HG SER 81 HG SER 81 -16.093 27.985 -14.988 646 H GLY 82 H GLY 82 -18.375 25.462 -15.986 647 HA2 GLY 82 1HA GLY 82 -18.569 22.814 -17.164 648 HA3 GLY 82 2HA GLY 82 -19.875 23.977 -16.986 Start of MODEL 11 1 H1 GLY 1 H GLY 1 16.315 -2.211 -17.347 2 HA2 GLY 1 1HA GLY 1 16.841 -4.816 -16.872 3 HA3 GLY 1 2HA GLY 1 17.396 -4.621 -18.527 4 H SER 2 H SER 2 19.325 -3.650 -18.923 5 HA SER 2 HA SER 2 21.398 -3.702 -17.234 6 HB2 SER 2 1HB SER 2 22.423 -1.810 -18.558 7 HB3 SER 2 2HB SER 2 21.773 -3.129 -19.532 8 HG SER 2 HG SER 2 21.235 -0.779 -20.040 9 H SER 3 H SER 3 19.435 -0.762 -17.710 10 HA SER 3 HA SER 3 20.626 0.472 -15.374 11 HB2 SER 3 1HB SER 3 19.070 2.372 -15.961 12 HB3 SER 3 2HB SER 3 20.213 1.934 -17.231 13 HG SER 3 HG SER 3 17.613 2.077 -17.438 14 H GLY 4 H GLY 4 17.319 -0.399 -16.399 15 HA2 GLY 4 1HA GLY 4 15.971 -1.697 -14.800 16 HA3 GLY 4 2HA GLY 4 16.639 -0.674 -13.536 17 H SER 5 H SER 5 14.279 -0.952 -16.055 18 HA SER 5 HA SER 5 13.325 1.768 -15.695 19 HB2 SER 5 1HB SER 5 11.618 1.114 -17.397 20 HB3 SER 5 2HB SER 5 13.277 0.882 -17.949 21 HG SER 5 HG SER 5 11.926 -0.920 -18.415 22 H SER 6 H SER 6 12.555 1.866 -13.606 23 HA SER 6 HA SER 6 10.077 0.363 -13.125 24 HB2 SER 6 1HB SER 6 12.509 0.488 -11.405 25 HB3 SER 6 2HB SER 6 10.938 0.509 -10.605 26 HG SER 6 HG SER 6 12.165 -1.599 -11.343 27 H GLY 7 H GLY 7 8.976 1.353 -11.055 28 HA2 GLY 7 1HA GLY 7 9.210 3.797 -10.017 29 HA3 GLY 7 2HA GLY 7 8.675 4.189 -11.644 30 H ILE 8 H ILE 8 6.697 5.026 -11.105 31 HA ILE 8 HA ILE 8 4.753 3.084 -10.048 32 HB ILE 8 HB ILE 8 4.825 6.034 -9.406 33 HG12 ILE 8 1HG1 ILE 8 5.080 3.731 -7.478 34 HG13 ILE 8 2HG1 ILE 8 6.485 4.467 -8.241 35 HG21 ILE 8 1HG2 ILE 8 3.018 4.535 -7.787 36 HG22 ILE 8 2HG2 ILE 8 2.680 5.887 -8.866 37 HG23 ILE 8 3HG2 ILE 8 2.653 4.236 -9.486 38 HD11 ILE 8 3HD1 ILE 8 4.633 6.344 -6.952 39 HD12 ILE 8 1HD1 ILE 8 5.468 5.230 -5.869 40 HD13 ILE 8 2HD1 ILE 8 6.396 6.286 -6.936 41 H ARG 9 H ARG 9 3.482 2.582 -11.710 42 HA ARG 9 HA ARG 9 3.008 4.357 -13.901 43 HB2 ARG 9 1HB ARG 9 1.982 1.642 -13.131 44 HB3 ARG 9 2HB ARG 9 1.267 2.520 -14.476 45 HG2 ARG 9 1HG ARG 9 2.848 1.168 -15.493 46 HG3 ARG 9 2HG ARG 9 3.675 2.721 -15.352 47 HD2 ARG 9 1HD ARG 9 5.185 0.970 -14.692 48 HD3 ARG 9 2HD ARG 9 4.742 1.911 -13.268 49 HE ARG 9 HE ARG 9 3.833 0.022 -12.375 50 HH11 ARG 9 1HH1 ARG 9 4.069 -0.384 -15.825 51 HH12 ARG 9 2HH1 ARG 9 3.546 -2.036 -15.797 52 HH21 ARG 9 1HH2 ARG 9 3.144 -2.152 -12.326 53 HH22 ARG 9 2HH2 ARG 9 3.020 -3.040 -13.807 54 H ARG 10 H ARG 10 1.128 3.263 -11.115 55 HA ARG 10 HA ARG 10 -0.702 5.511 -11.554 56 HB2 ARG 10 1HB ARG 10 -1.457 2.624 -11.165 57 HB3 ARG 10 2HB ARG 10 -2.561 3.926 -10.740 58 HG2 ARG 10 1HG ARG 10 -3.260 3.486 -12.861 59 HG3 ARG 10 2HG ARG 10 -2.043 4.720 -13.193 60 HD2 ARG 10 1HD ARG 10 -1.439 3.115 -14.714 61 HD3 ARG 10 2HD ARG 10 -0.441 2.646 -13.338 62 HE ARG 10 HE ARG 10 -1.601 0.689 -13.244 63 HH11 ARG 10 1HH1 ARG 10 -3.527 3.035 -14.951 64 HH12 ARG 10 2HH1 ARG 10 -4.778 1.906 -15.356 65 HH21 ARG 10 1HH2 ARG 10 -3.242 -0.806 -13.771 66 HH22 ARG 10 2HH2 ARG 10 -4.615 -0.278 -14.683 67 HA PRO 11 HA PRO 11 -0.126 6.270 -7.265 68 HB2 PRO 11 1HB PRO 11 -2.456 7.533 -6.678 69 HB3 PRO 11 2HB PRO 11 -1.165 8.288 -7.620 70 HG2 PRO 11 1HG PRO 11 -3.682 6.974 -8.568 71 HG3 PRO 11 2HG PRO 11 -2.930 8.480 -9.122 72 HD2 PRO 11 1HD PRO 11 -2.679 6.145 -10.469 73 HD3 PRO 11 2HD PRO 11 -1.400 7.376 -10.447 74 H MET 12 H MET 12 -1.253 5.999 -5.111 75 HA MET 12 HA MET 12 -3.155 3.765 -5.109 76 HB2 MET 12 1HB MET 12 -0.960 3.756 -3.087 77 HB3 MET 12 2HB MET 12 -1.890 2.411 -3.734 78 HG2 MET 12 1HG MET 12 -0.659 2.921 -5.942 79 HG3 MET 12 2HG MET 12 0.460 3.821 -4.922 80 HE1 MET 12 3HE MET 12 2.101 2.494 -2.990 81 HE2 MET 12 1HE MET 12 0.465 2.397 -2.337 82 HE3 MET 12 2HE MET 12 1.483 0.957 -2.381 83 H ASN 13 H ASN 13 -4.578 3.721 -3.384 84 HA ASN 13 HA ASN 13 -4.836 6.231 -1.949 85 HB2 ASN 13 1HB ASN 13 -6.971 4.961 -1.092 86 HB3 ASN 13 2HB ASN 13 -6.918 5.594 -2.735 87 HD21 ASN 13 1HD2 ASN 13 -6.893 2.761 -0.750 88 HD22 ASN 13 2HD2 ASN 13 -7.107 1.613 -2.024 89 H ALA 14 H ALA 14 -5.903 5.759 0.395 90 HA ALA 14 HA ALA 14 -3.773 5.016 2.050 91 HB1 ALA 14 3HB ALA 14 -5.579 4.978 3.857 92 HB2 ALA 14 1HB ALA 14 -5.340 6.487 2.976 93 HB3 ALA 14 2HB ALA 14 -6.698 5.435 2.573 94 H PHE 15 H PHE 15 -6.629 3.212 1.004 95 HA PHE 15 HA PHE 15 -6.136 0.937 2.633 96 HB2 PHE 15 1HB PHE 15 -8.347 1.101 1.909 97 HB3 PHE 15 2HB PHE 15 -7.881 1.489 0.257 98 HD1 PHE 15 2HD PHE 15 -6.911 -0.329 -1.185 99 HD2 PHE 15 1HD PHE 15 -8.772 -1.106 2.563 100 HE1 PHE 15 2HE PHE 15 -7.198 -2.689 -1.820 101 HE2 PHE 15 1HE PHE 15 -9.061 -3.467 1.934 102 HZ PHE 15 HZ PHE 15 -8.275 -4.261 -0.260 103 H MET 16 H MET 16 -5.401 1.721 -0.744 104 HA MET 16 HA MET 16 -4.327 -0.748 -1.495 105 HB2 MET 16 1HB MET 16 -3.951 2.062 -2.466 106 HB3 MET 16 2HB MET 16 -2.953 0.770 -3.121 107 HG2 MET 16 1HG MET 16 -5.895 0.380 -3.056 108 HG3 MET 16 2HG MET 16 -5.219 1.485 -4.251 109 HE1 MET 16 3HE MET 16 -4.272 0.319 -6.766 110 HE2 MET 16 1HE MET 16 -3.161 0.931 -5.540 111 HE3 MET 16 2HE MET 16 -2.856 -0.628 -6.305 112 H VAL 17 H VAL 17 -2.614 2.178 -0.387 113 HA VAL 17 HA VAL 17 -0.038 1.202 -0.369 114 HB VAL 17 HB VAL 17 -1.221 3.067 1.693 115 HG11 VAL 17 1HG1 VAL 17 1.091 2.031 2.076 116 HG12 VAL 17 2HG1 VAL 17 1.618 3.030 0.721 117 HG13 VAL 17 3HG1 VAL 17 0.952 3.786 2.169 118 HG21 VAL 17 3HG2 VAL 17 -1.383 4.637 0.126 119 HG22 VAL 17 1HG2 VAL 17 0.274 4.347 -0.403 120 HG23 VAL 17 2HG2 VAL 17 -1.048 3.399 -1.083 121 H TRP 18 H TRP 18 -1.998 1.474 2.597 122 HA TRP 18 HA TRP 18 -0.462 -0.046 4.267 123 HB2 TRP 18 1HB TRP 18 -2.234 0.969 5.349 124 HB3 TRP 18 2HB TRP 18 -3.400 0.477 4.124 125 HD1 TRP 18 HD TRP 18 -1.865 -0.629 7.400 126 HE1 TRP 18 1HE TRP 18 -3.044 -2.769 8.210 127 HE3 TRP 18 3HE TRP 18 -4.589 -1.692 3.207 128 HZ2 TRP 18 2HZ TRP 18 -4.884 -4.658 7.205 129 HZ3 TRP 18 3HZ TRP 18 -6.034 -3.684 3.212 130 HH2 TRP 18 HH TRP 18 -6.176 -5.135 5.171 131 H ALA 19 H ALA 19 -2.726 -1.169 1.829 132 HA ALA 19 HA ALA 19 -2.767 -3.890 2.604 133 HB1 ALA 19 3HB ALA 19 -3.634 -2.324 0.263 134 HB2 ALA 19 1HB ALA 19 -3.309 -4.033 -0.028 135 HB3 ALA 19 2HB ALA 19 -4.492 -3.554 1.190 136 H LYS 20 H LYS 20 -0.669 -2.017 0.491 137 HA LYS 20 HA LYS 20 0.677 -3.885 -0.941 138 HB2 LYS 20 1HB LYS 20 2.461 -2.384 -1.112 139 HB3 LYS 20 2HB LYS 20 1.085 -1.348 -0.754 140 HG2 LYS 20 1HG LYS 20 1.900 -1.743 1.732 141 HG3 LYS 20 2HG LYS 20 3.439 -2.028 0.915 142 HD2 LYS 20 1HD LYS 20 1.822 0.382 0.210 143 HD3 LYS 20 2HD LYS 20 2.782 0.382 1.692 144 HE2 LYS 20 1HE LYS 20 4.032 -0.463 -0.887 145 HE3 LYS 20 2HE LYS 20 3.810 1.253 -0.547 146 HZ1 LYS 20 3HZ LYS 20 5.611 -0.667 0.695 147 HZ2 LYS 20 1HZ LYS 20 4.909 0.475 1.727 148 HZ3 LYS 20 2HZ LYS 20 5.824 0.985 0.400 149 H ASP 21 H ASP 21 0.848 -3.381 2.504 150 HA ASP 21 HA ASP 21 3.068 -5.252 2.783 151 HB2 ASP 21 1HB ASP 21 2.803 -3.086 4.143 152 HB3 ASP 21 2HB ASP 21 1.561 -3.952 5.043 153 H GLU 22 H GLU 22 -0.376 -5.135 3.066 154 HA GLU 22 HA GLU 22 -0.524 -7.606 4.584 155 HB2 GLU 22 1HB GLU 22 -2.469 -5.556 3.652 156 HB3 GLU 22 2HB GLU 22 -3.073 -7.185 3.919 157 HG2 GLU 22 1HG GLU 22 -3.385 -5.811 5.889 158 HG3 GLU 22 2HG GLU 22 -2.254 -7.124 6.213 159 H ARG 23 H ARG 23 -1.827 -6.498 1.451 160 HA ARG 23 HA ARG 23 -2.701 -8.875 0.434 161 HB2 ARG 23 1HB ARG 23 -2.932 -6.669 -0.680 162 HB3 ARG 23 2HB ARG 23 -1.237 -6.750 -1.140 163 HG2 ARG 23 1HG ARG 23 -1.828 -8.922 -2.326 164 HG3 ARG 23 2HG ARG 23 -3.513 -8.449 -2.101 165 HD2 ARG 23 1HD ARG 23 -3.100 -6.371 -3.307 166 HD3 ARG 23 2HD ARG 23 -1.404 -6.811 -3.503 167 HE ARG 23 HE ARG 23 -3.596 -7.709 -5.083 168 HH11 ARG 23 1HH1 ARG 23 -0.500 -8.660 -3.805 169 HH12 ARG 23 2HH1 ARG 23 -0.185 -9.805 -5.067 170 HH21 ARG 23 1HH2 ARG 23 -3.192 -9.214 -6.750 171 HH22 ARG 23 2HH2 ARG 23 -1.716 -10.118 -6.742 172 H LYS 24 H LYS 24 0.614 -7.688 0.544 173 HA LYS 24 HA LYS 24 1.795 -9.654 -1.079 174 HB2 LYS 24 1HB LYS 24 3.868 -8.894 -0.268 175 HB3 LYS 24 2HB LYS 24 2.822 -7.481 -0.204 176 HG2 LYS 24 1HG LYS 24 2.708 -7.501 2.098 177 HG3 LYS 24 2HG LYS 24 3.122 -9.213 2.208 178 HD2 LYS 24 1HD LYS 24 5.147 -7.387 1.038 179 HD3 LYS 24 2HD LYS 24 4.866 -7.284 2.777 180 HE2 LYS 24 1HE LYS 24 5.584 -9.451 3.152 181 HE3 LYS 24 2HE LYS 24 5.272 -9.950 1.490 182 HZ1 LYS 24 3HZ LYS 24 7.295 -9.300 0.838 183 HZ2 LYS 24 1HZ LYS 24 7.697 -9.344 2.481 184 HZ3 LYS 24 2HZ LYS 24 7.263 -7.879 1.756 185 H ARG 25 H ARG 25 0.878 -9.644 2.302 186 HA ARG 25 HA ARG 25 2.229 -12.134 2.868 187 HB2 ARG 25 1HB ARG 25 1.734 -11.750 5.064 188 HB3 ARG 25 2HB ARG 25 1.600 -10.103 4.464 189 HG2 ARG 25 1HG ARG 25 -0.917 -10.865 4.082 190 HG3 ARG 25 2HG ARG 25 -0.502 -11.961 5.401 191 HD2 ARG 25 1HD ARG 25 0.248 -9.098 5.669 192 HD3 ARG 25 2HD ARG 25 -1.454 -9.527 5.841 193 HE ARG 25 HE ARG 25 0.691 -10.139 7.671 194 HH11 ARG 25 1HH1 ARG 25 -2.528 -10.941 6.614 195 HH12 ARG 25 2HH1 ARG 25 -2.977 -11.683 8.114 196 HH21 ARG 25 1HH2 ARG 25 0.112 -11.113 9.651 197 HH22 ARG 25 2HH2 ARG 25 -1.474 -11.779 9.841 198 H LEU 26 H LEU 26 -0.714 -11.212 1.484 199 HA LEU 26 HA LEU 26 -2.236 -13.506 2.348 200 HB2 LEU 26 1HB LEU 26 -2.821 -11.545 0.136 201 HB3 LEU 26 2HB LEU 26 -3.957 -12.688 0.851 202 HG LEU 26 HG LEU 26 -2.759 -10.249 2.157 203 HD11 LEU 26 1HD1 LEU 26 -5.532 -10.985 1.252 204 HD12 LEU 26 2HD1 LEU 26 -4.533 -9.637 0.709 205 HD13 LEU 26 3HD1 LEU 26 -5.191 -9.644 2.345 206 HD21 LEU 26 3HD2 LEU 26 -2.867 -11.956 3.828 207 HD22 LEU 26 1HD2 LEU 26 -4.484 -12.434 3.310 208 HD23 LEU 26 2HD2 LEU 26 -4.232 -10.865 4.075 209 H ALA 27 H ALA 27 -0.525 -12.481 -0.570 210 HA ALA 27 HA ALA 27 -1.280 -14.521 -2.296 211 HB1 ALA 27 3HB ALA 27 0.995 -12.655 -2.112 212 HB2 ALA 27 1HB ALA 27 1.252 -14.094 -3.099 213 HB3 ALA 27 2HB ALA 27 -0.086 -13.003 -3.461 214 H GLN 28 H GLN 28 1.461 -14.427 -0.030 215 HA GLN 28 HA GLN 28 2.393 -17.032 -0.652 216 HB2 GLN 28 1HB GLN 28 3.716 -16.809 1.435 217 HB3 GLN 28 2HB GLN 28 3.881 -15.423 0.365 218 HG2 GLN 28 1HG GLN 28 2.657 -14.038 1.753 219 HG3 GLN 28 2HG GLN 28 1.872 -15.386 2.573 220 HE21 GLN 28 1HE2 GLN 28 2.546 -14.077 4.462 221 HE22 GLN 28 2HE2 GLN 28 4.119 -14.358 5.119 222 H GLN 29 H GLN 29 0.185 -15.759 1.785 223 HA GLN 29 HA GLN 29 -0.089 -18.165 3.255 224 HB2 GLN 29 1HB GLN 29 -1.541 -15.575 3.102 225 HB3 GLN 29 2HB GLN 29 -2.397 -16.937 3.811 226 HG2 GLN 29 1HG GLN 29 -0.302 -17.227 5.268 227 HG3 GLN 29 2HG GLN 29 0.101 -15.589 4.755 228 HE21 GLN 29 1HE2 GLN 29 -0.801 -13.930 5.787 229 HE22 GLN 29 2HE2 GLN 29 -2.062 -14.052 6.961 230 H ASN 30 H ASN 30 -1.692 -16.866 0.423 231 HA ASN 30 HA ASN 30 -3.112 -19.423 0.133 232 HB2 ASN 30 1HB ASN 30 -4.274 -16.686 -0.431 233 HB3 ASN 30 2HB ASN 30 -5.066 -18.221 -0.777 234 HD21 ASN 30 1HD2 ASN 30 -4.915 -15.745 1.351 235 HD22 ASN 30 2HD2 ASN 30 -5.519 -16.534 2.765 236 HA PRO 31 HA PRO 31 -0.614 -18.573 -3.639 237 HB2 PRO 31 1HB PRO 31 0.067 -21.171 -4.029 238 HB3 PRO 31 2HB PRO 31 0.962 -20.095 -2.950 239 HG2 PRO 31 1HG PRO 31 -1.117 -22.144 -2.285 240 HG3 PRO 31 2HG PRO 31 0.416 -21.798 -1.463 241 HD2 PRO 31 1HD PRO 31 -1.966 -20.895 -0.544 242 HD3 PRO 31 2HD PRO 31 -0.454 -19.988 -0.331 243 H ASP 32 H ASP 32 -3.475 -20.174 -2.901 244 HA ASP 32 HA ASP 32 -3.961 -20.885 -5.715 245 HB2 ASP 32 1HB ASP 32 -4.239 -22.609 -3.806 246 HB3 ASP 32 2HB ASP 32 -5.711 -21.725 -3.418 247 H LEU 33 H LEU 33 -4.756 -18.671 -3.255 248 HA LEU 33 HA LEU 33 -7.326 -17.934 -4.380 249 HB2 LEU 33 1HB LEU 33 -5.678 -16.859 -2.106 250 HB3 LEU 33 2HB LEU 33 -7.174 -16.096 -2.641 251 HG LEU 33 HG LEU 33 -6.862 -18.849 -1.449 252 HD11 LEU 33 1HD1 LEU 33 -7.872 -18.022 0.453 253 HD12 LEU 33 2HD1 LEU 33 -8.572 -16.640 -0.390 254 HD13 LEU 33 3HD1 LEU 33 -6.845 -16.673 -0.033 255 HD21 LEU 33 3HD2 LEU 33 -8.537 -18.965 -3.171 256 HD22 LEU 33 1HD2 LEU 33 -9.295 -17.482 -2.590 257 HD23 LEU 33 2HD2 LEU 33 -9.336 -18.940 -1.598 258 H HIS 34 H HIS 34 -7.784 -15.740 -5.085 259 HA HIS 34 HA HIS 34 -5.445 -14.442 -6.323 260 HB2 HIS 34 1HB HIS 34 -7.007 -13.728 -8.146 261 HB3 HIS 34 2HB HIS 34 -6.743 -15.467 -8.069 262 HD1 HIS 34 1HD HIS 34 -9.374 -12.931 -8.025 263 HD2 HIS 34 2HD HIS 34 -8.978 -16.909 -6.896 264 HE1 HIS 34 1HE HIS 34 -11.722 -13.792 -7.761 265 HE2 HIS 34 2HE HIS 34 -11.457 -16.176 -6.995 266 H ASN 35 H ASN 35 -5.952 -12.103 -6.941 267 HA ASN 35 HA ASN 35 -6.146 -10.454 -4.867 268 HB2 ASN 35 1HB ASN 35 -7.443 -9.969 -7.557 269 HB3 ASN 35 2HB ASN 35 -7.105 -8.713 -6.370 270 HD21 ASN 35 1HD2 ASN 35 -5.722 -7.607 -7.721 271 HD22 ASN 35 2HD2 ASN 35 -4.152 -8.199 -8.134 272 H ALA 36 H ALA 36 -9.086 -10.908 -6.829 273 HA ALA 36 HA ALA 36 -10.986 -9.823 -5.305 274 HB1 ALA 36 3HB ALA 36 -11.087 -11.448 -7.420 275 HB2 ALA 36 1HB ALA 36 -11.671 -12.564 -6.185 276 HB3 ALA 36 2HB ALA 36 -12.511 -11.038 -6.463 277 H GLU 37 H GLU 37 -9.452 -12.934 -4.629 278 HA GLU 37 HA GLU 37 -11.090 -13.463 -2.329 279 HB2 GLU 37 1HB GLU 37 -8.559 -14.746 -3.363 280 HB3 GLU 37 2HB GLU 37 -9.414 -15.304 -1.932 281 HG2 GLU 37 1HG GLU 37 -10.856 -15.051 -4.532 282 HG3 GLU 37 2HG GLU 37 -9.833 -16.451 -4.214 283 H LEU 38 H LEU 38 -7.794 -12.298 -2.887 284 HA LEU 38 HA LEU 38 -6.971 -12.198 -0.208 285 HB2 LEU 38 1HB LEU 38 -6.085 -10.235 -2.298 286 HB3 LEU 38 2HB LEU 38 -5.168 -10.879 -0.937 287 HG LEU 38 HG LEU 38 -5.933 -12.346 -3.460 288 HD11 LEU 38 1HD1 LEU 38 -4.016 -11.566 -4.250 289 HD12 LEU 38 2HD1 LEU 38 -3.165 -12.391 -2.944 290 HD13 LEU 38 3HD1 LEU 38 -3.697 -10.722 -2.735 291 HD21 LEU 38 3HD2 LEU 38 -4.585 -13.299 -0.942 292 HD22 LEU 38 1HD2 LEU 38 -4.486 -14.154 -2.481 293 HD23 LEU 38 2HD2 LEU 38 -6.050 -13.931 -1.696 294 H SER 39 H SER 39 -8.352 -9.647 -2.273 295 HA SER 39 HA SER 39 -8.339 -7.498 -0.626 296 HB2 SER 39 1HB SER 39 -9.506 -7.961 -2.983 297 HB3 SER 39 2HB SER 39 -10.944 -8.043 -1.965 298 HG SER 39 HG SER 39 -10.895 -5.950 -2.062 299 H LYS 40 H LYS 40 -10.951 -9.926 -0.666 300 HA LYS 40 HA LYS 40 -12.631 -9.112 1.240 301 HB2 LYS 40 1HB LYS 40 -11.473 -11.878 0.908 302 HB3 LYS 40 2HB LYS 40 -12.812 -11.533 1.994 303 HG2 LYS 40 1HG LYS 40 -13.069 -10.623 -0.813 304 HG3 LYS 40 2HG LYS 40 -13.173 -12.357 -0.500 305 HD2 LYS 40 1HD LYS 40 -14.861 -11.724 1.328 306 HD3 LYS 40 2HD LYS 40 -14.929 -10.151 0.530 307 HE2 LYS 40 1HE LYS 40 -15.962 -10.987 -1.329 308 HE3 LYS 40 2HE LYS 40 -15.234 -12.582 -1.150 309 HZ1 LYS 40 3HZ LYS 40 -17.043 -11.865 0.977 310 HZ2 LYS 40 1HZ LYS 40 -16.933 -13.299 0.086 311 HZ3 LYS 40 2HZ LYS 40 -17.784 -11.978 -0.540 312 H MET 41 H MET 41 -9.367 -10.255 1.827 313 HA MET 41 HA MET 41 -9.696 -10.085 4.709 314 HB2 MET 41 1HB MET 41 -7.154 -10.613 3.171 315 HB3 MET 41 2HB MET 41 -7.473 -10.968 4.864 316 HG2 MET 41 1HG MET 41 -8.957 -12.723 4.312 317 HG3 MET 41 2HG MET 41 -9.000 -12.245 2.617 318 HE1 MET 41 3HE MET 41 -7.760 -14.916 1.443 319 HE2 MET 41 1HE MET 41 -8.116 -13.233 1.052 320 HE3 MET 41 2HE MET 41 -6.475 -13.853 0.867 321 H LEU 42 H LEU 42 -8.056 -8.368 2.101 322 HA LEU 42 HA LEU 42 -6.603 -6.567 3.706 323 HB2 LEU 42 1HB LEU 42 -7.667 -6.200 0.909 324 HB3 LEU 42 2HB LEU 42 -6.440 -5.194 1.677 325 HG LEU 42 HG LEU 42 -6.096 -8.137 1.121 326 HD11 LEU 42 1HD1 LEU 42 -6.377 -6.856 -0.962 327 HD12 LEU 42 2HD1 LEU 42 -4.745 -7.496 -0.778 328 HD13 LEU 42 3HD1 LEU 42 -5.063 -5.790 -0.465 329 HD21 LEU 42 3HD2 LEU 42 -3.945 -7.922 1.870 330 HD22 LEU 42 1HD2 LEU 42 -4.756 -6.767 2.927 331 HD23 LEU 42 2HD2 LEU 42 -3.873 -6.196 1.511 332 H GLY 43 H GLY 43 -9.932 -6.676 2.745 333 HA2 GLY 43 1HA GLY 43 -10.466 -3.902 3.326 334 HA3 GLY 43 2HA GLY 43 -11.658 -5.144 2.971 335 H LYS 44 H LYS 44 -11.508 -6.953 4.855 336 HA LYS 44 HA LYS 44 -12.752 -5.856 7.071 337 HB2 LYS 44 1HB LYS 44 -12.557 -8.006 8.106 338 HB3 LYS 44 2HB LYS 44 -12.788 -8.266 6.382 339 HG2 LYS 44 1HG LYS 44 -10.449 -8.738 6.087 340 HG3 LYS 44 2HG LYS 44 -10.118 -8.329 7.772 341 HD2 LYS 44 1HD LYS 44 -10.195 -10.700 7.642 342 HD3 LYS 44 2HD LYS 44 -11.694 -10.184 8.418 343 HE2 LYS 44 1HE LYS 44 -11.661 -10.520 5.460 344 HE3 LYS 44 2HE LYS 44 -11.690 -11.965 6.470 345 HZ1 LYS 44 3HZ LYS 44 -13.875 -10.646 5.705 346 HZ2 LYS 44 1HZ LYS 44 -13.589 -9.897 7.194 347 HZ3 LYS 44 2HZ LYS 44 -13.791 -11.574 7.117 348 H SER 45 H SER 45 -9.340 -6.510 6.519 349 HA SER 45 HA SER 45 -8.555 -5.895 9.210 350 HB2 SER 45 1HB SER 45 -7.048 -6.362 6.645 351 HB3 SER 45 2HB SER 45 -6.223 -5.830 8.110 352 HG SER 45 HG SER 45 -6.571 -8.238 7.570 353 H TRP 46 H TRP 46 -8.891 -4.138 6.212 354 HA TRP 46 HA TRP 46 -7.399 -1.846 6.974 355 HB2 TRP 46 1HB TRP 46 -7.877 -2.320 4.630 356 HB3 TRP 46 2HB TRP 46 -9.606 -2.157 4.927 357 HD1 TRP 46 HD TRP 46 -10.512 0.089 4.136 358 HE1 TRP 46 1HE TRP 46 -9.594 2.482 3.902 359 HE3 TRP 46 3HE TRP 46 -5.786 -0.675 5.931 360 HZ2 TRP 46 2HZ TRP 46 -7.185 3.863 4.409 361 HZ3 TRP 46 3HZ TRP 46 -4.237 1.234 6.022 362 HH2 TRP 46 HH TRP 46 -4.923 3.455 5.276 363 H LYS 47 H LYS 47 -10.923 -2.046 6.469 364 HA LYS 47 HA LYS 47 -11.673 0.262 7.718 365 HB2 LYS 47 1HB LYS 47 -12.996 -2.367 7.294 366 HB3 LYS 47 2HB LYS 47 -13.758 -1.261 8.430 367 HG2 LYS 47 1HG LYS 47 -14.811 -0.593 6.543 368 HG3 LYS 47 2HG LYS 47 -13.384 0.440 6.422 369 HD2 LYS 47 1HD LYS 47 -13.666 -0.541 4.289 370 HD3 LYS 47 2HD LYS 47 -12.328 -1.406 5.049 371 HE2 LYS 47 1HE LYS 47 -13.549 -3.164 4.232 372 HE3 LYS 47 2HE LYS 47 -14.246 -3.016 5.845 373 HZ1 LYS 47 3HZ LYS 47 -15.613 -2.967 3.477 374 HZ2 LYS 47 1HZ LYS 47 -15.575 -1.345 3.953 375 HZ3 LYS 47 2HZ LYS 47 -16.218 -2.515 4.991 376 H ALA 48 H ALA 48 -10.851 -2.808 9.224 377 HA ALA 48 HA ALA 48 -11.740 -2.311 11.819 378 HB1 ALA 48 3HB ALA 48 -11.039 -4.508 11.229 379 HB2 ALA 48 1HB ALA 48 -9.417 -3.947 10.823 380 HB3 ALA 48 2HB ALA 48 -9.959 -3.939 12.502 381 H LEU 49 H LEU 49 -8.802 -1.299 10.174 382 HA LEU 49 HA LEU 49 -7.335 -0.409 12.379 383 HB2 LEU 49 1HB LEU 49 -7.405 0.587 9.538 384 HB3 LEU 49 2HB LEU 49 -6.224 1.118 10.734 385 HG LEU 49 HG LEU 49 -6.545 -1.724 9.771 386 HD11 LEU 49 1HD1 LEU 49 -4.888 0.554 8.824 387 HD12 LEU 49 2HD1 LEU 49 -5.636 -0.759 7.915 388 HD13 LEU 49 3HD1 LEU 49 -4.167 -1.056 8.844 389 HD21 LEU 49 3HD2 LEU 49 -4.159 -1.750 10.829 390 HD22 LEU 49 1HD2 LEU 49 -5.584 -1.929 11.853 391 HD23 LEU 49 2HD2 LEU 49 -4.763 -0.371 11.749 392 H THR 50 H THR 50 -6.934 1.784 13.096 393 HA THR 50 HA THR 50 -9.401 3.380 13.093 394 HB THR 50 HB THR 50 -8.587 4.417 15.146 395 HG1 THR 50 1HG THR 50 -6.373 2.630 14.994 396 HG21 THR 50 3HG2 THR 50 -8.309 1.416 15.327 397 HG22 THR 50 1HG2 THR 50 -9.848 2.273 15.254 398 HG23 THR 50 2HG2 THR 50 -8.765 2.520 16.624 399 H LEU 51 H LEU 51 -9.050 5.783 13.324 400 HA LEU 51 HA LEU 51 -7.914 6.884 11.104 401 HB2 LEU 51 1HB LEU 51 -9.428 8.038 12.689 402 HB3 LEU 51 2HB LEU 51 -8.074 8.221 13.801 403 HG LEU 51 HG LEU 51 -8.822 10.190 12.237 404 HD11 LEU 51 1HD1 LEU 51 -6.827 11.179 12.711 405 HD12 LEU 51 2HD1 LEU 51 -5.884 9.766 12.238 406 HD13 LEU 51 3HD1 LEU 51 -6.719 9.789 13.791 407 HD21 LEU 51 3HD2 LEU 51 -7.575 10.273 10.155 408 HD22 LEU 51 1HD2 LEU 51 -8.664 8.885 10.164 409 HD23 LEU 51 2HD2 LEU 51 -6.938 8.654 10.450 410 H ALA 52 H ALA 52 -6.395 6.805 14.330 411 HA ALA 52 HA ALA 52 -3.961 7.943 13.657 412 HB1 ALA 52 3HB ALA 52 -4.818 7.357 15.962 413 HB2 ALA 52 1HB ALA 52 -4.252 5.715 15.656 414 HB3 ALA 52 2HB ALA 52 -3.104 7.055 15.672 415 H GLU 53 H GLU 53 -5.112 4.671 13.168 416 HA GLU 53 HA GLU 53 -2.553 3.586 12.478 417 HB2 GLU 53 1HB GLU 53 -5.383 2.602 12.235 418 HB3 GLU 53 2HB GLU 53 -4.051 1.713 11.509 419 HG2 GLU 53 1HG GLU 53 -4.057 2.475 14.408 420 HG3 GLU 53 2HG GLU 53 -4.823 0.999 13.823 421 H LYS 54 H LYS 54 -5.232 5.019 10.727 422 HA LYS 54 HA LYS 54 -4.096 4.365 8.143 423 HB2 LYS 54 1HB LYS 54 -6.443 6.151 8.806 424 HB3 LYS 54 2HB LYS 54 -6.026 5.522 7.217 425 HG2 LYS 54 1HG LYS 54 -6.473 3.257 7.974 426 HG3 LYS 54 2HG LYS 54 -6.844 3.859 9.592 427 HD2 LYS 54 1HD LYS 54 -8.820 4.871 8.895 428 HD3 LYS 54 2HD LYS 54 -8.323 4.897 7.202 429 HE2 LYS 54 1HE LYS 54 -8.735 2.604 6.932 430 HE3 LYS 54 2HE LYS 54 -8.776 2.319 8.671 431 HZ1 LYS 54 3HZ LYS 54 -10.906 2.961 6.940 432 HZ2 LYS 54 1HZ LYS 54 -10.761 4.176 8.109 433 HZ3 LYS 54 2HZ LYS 54 -10.960 2.565 8.583 434 H ARG 55 H ARG 55 -3.587 6.715 10.465 435 HA ARG 55 HA ARG 55 -3.283 9.078 9.037 436 HB2 ARG 55 1HB ARG 55 -2.955 8.422 11.612 437 HB3 ARG 55 2HB ARG 55 -1.265 8.465 11.130 438 HG2 ARG 55 1HG ARG 55 -1.669 10.612 11.905 439 HG3 ARG 55 2HG ARG 55 -1.814 10.776 10.154 440 HD2 ARG 55 1HD ARG 55 -4.336 10.306 10.594 441 HD3 ARG 55 2HD ARG 55 -3.951 10.786 12.246 442 HE ARG 55 HE ARG 55 -2.925 12.798 10.749 443 HH11 ARG 55 1HH1 ARG 55 -6.053 11.279 10.920 444 HH12 ARG 55 2HH1 ARG 55 -6.917 12.711 10.466 445 HH21 ARG 55 1HH2 ARG 55 -4.051 14.689 10.152 446 HH22 ARG 55 2HH2 ARG 55 -5.777 14.650 10.029 447 HA PRO 56 HA PRO 56 1.294 7.710 8.183 448 HB2 PRO 56 1HB PRO 56 1.815 5.056 8.417 449 HB3 PRO 56 2HB PRO 56 2.000 6.192 9.758 450 HG2 PRO 56 1HG PRO 56 -0.259 4.322 9.158 451 HG3 PRO 56 2HG PRO 56 0.517 4.677 10.712 452 HD2 PRO 56 1HD PRO 56 -1.845 5.779 9.977 453 HD3 PRO 56 2HD PRO 56 -0.671 6.631 11.002 454 H PHE 57 H PHE 57 -1.370 5.565 7.380 455 HA PHE 57 HA PHE 57 -0.228 5.002 4.753 456 HB2 PHE 57 1HB PHE 57 -2.846 4.013 5.893 457 HB3 PHE 57 2HB PHE 57 -1.980 3.372 4.500 458 HD1 PHE 57 1HD PHE 57 0.503 2.605 5.046 459 HD2 PHE 57 2HD PHE 57 -2.659 2.891 7.881 460 HE1 PHE 57 1HE PHE 57 1.673 1.008 6.507 461 HE2 PHE 57 2HE PHE 57 -1.494 1.295 9.346 462 HZ PHE 57 HZ PHE 57 0.676 0.351 8.660 463 H VAL 58 H VAL 58 -2.192 7.292 6.190 464 HA VAL 58 HA VAL 58 -3.814 7.773 3.807 465 HB VAL 58 HB VAL 58 -3.863 8.888 6.595 466 HG11 VAL 58 1HG1 VAL 58 -4.087 10.811 5.135 467 HG12 VAL 58 2HG1 VAL 58 -5.335 9.984 4.201 468 HG13 VAL 58 3HG1 VAL 58 -5.640 10.431 5.880 469 HG21 VAL 58 3HG2 VAL 58 -6.277 7.979 5.141 470 HG22 VAL 58 1HG2 VAL 58 -5.096 6.747 5.586 471 HG23 VAL 58 2HG2 VAL 58 -5.822 7.763 6.831 472 H GLU 59 H GLU 59 -1.226 9.236 5.694 473 HA GLU 59 HA GLU 59 -1.159 11.643 4.126 474 HB2 GLU 59 1HB GLU 59 0.936 10.567 6.020 475 HB3 GLU 59 2HB GLU 59 0.804 12.217 5.429 476 HG2 GLU 59 1HG GLU 59 -1.513 11.067 6.881 477 HG3 GLU 59 2HG GLU 59 -0.081 11.510 7.809 478 H GLU 60 H GLU 60 -0.081 8.498 3.646 479 HA GLU 60 HA GLU 60 2.213 9.243 2.016 480 HB2 GLU 60 1HB GLU 60 2.535 7.286 3.344 481 HB3 GLU 60 2HB GLU 60 1.020 6.586 2.794 482 HG2 GLU 60 1HG GLU 60 1.884 5.949 0.772 483 HG3 GLU 60 2HG GLU 60 3.130 7.194 0.789 484 H ALA 61 H ALA 61 -0.880 7.533 1.588 485 HA ALA 61 HA ALA 61 -0.727 7.205 -1.184 486 HB1 ALA 61 3HB ALA 61 -2.696 6.839 0.869 487 HB2 ALA 61 1HB ALA 61 -3.439 7.556 -0.561 488 HB3 ALA 61 2HB ALA 61 -2.550 6.038 -0.695 489 H GLU 62 H GLU 62 -1.526 9.983 0.741 490 HA GLU 62 HA GLU 62 -2.892 11.467 -1.250 491 HB2 GLU 62 1HB GLU 62 -3.176 12.144 1.011 492 HB3 GLU 62 2HB GLU 62 -1.441 12.269 1.266 493 HG2 GLU 62 1HG GLU 62 -1.288 14.292 0.216 494 HG3 GLU 62 2HG GLU 62 -2.699 13.997 -0.798 495 H ARG 63 H ARG 63 0.499 11.257 -0.281 496 HA ARG 63 HA ARG 63 1.426 13.328 -1.983 497 HB2 ARG 63 1HB ARG 63 2.965 10.970 -0.882 498 HB3 ARG 63 2HB ARG 63 3.655 12.456 -1.520 499 HG2 ARG 63 1HG ARG 63 2.912 13.719 0.309 500 HG3 ARG 63 2HG ARG 63 1.789 12.459 0.827 501 HD2 ARG 63 1HD ARG 63 3.684 12.458 2.302 502 HD3 ARG 63 2HD ARG 63 3.736 10.999 1.313 503 HE ARG 63 HE ARG 63 5.686 11.747 0.369 504 HH11 ARG 63 1HH1 ARG 63 4.148 14.369 2.066 505 HH12 ARG 63 2HH1 ARG 63 5.499 15.442 1.898 506 HH21 ARG 63 1HH2 ARG 63 7.470 13.150 0.142 507 HH22 ARG 63 2HH2 ARG 63 7.387 14.747 0.803 508 H LEU 64 H LEU 64 1.056 9.845 -2.370 509 HA LEU 64 HA LEU 64 2.341 9.767 -4.932 510 HB2 LEU 64 1HB LEU 64 0.450 7.699 -3.855 511 HB3 LEU 64 2HB LEU 64 1.783 7.481 -4.987 512 HG LEU 64 HG LEU 64 2.073 8.122 -2.052 513 HD11 LEU 64 1HD1 LEU 64 1.677 5.632 -3.470 514 HD12 LEU 64 2HD1 LEU 64 1.697 5.954 -1.737 515 HD13 LEU 64 3HD1 LEU 64 3.208 5.652 -2.594 516 HD21 LEU 64 3HD2 LEU 64 4.466 7.192 -2.827 517 HD22 LEU 64 1HD2 LEU 64 4.047 8.905 -2.827 518 HD23 LEU 64 2HD2 LEU 64 3.957 7.976 -4.323 519 H ARG 65 H ARG 65 -0.992 9.878 -3.773 520 HA ARG 65 HA ARG 65 -2.251 9.503 -6.265 521 HB2 ARG 65 1HB ARG 65 -3.712 9.229 -4.500 522 HB3 ARG 65 2HB ARG 65 -3.076 10.612 -3.620 523 HG2 ARG 65 1HG ARG 65 -4.487 11.121 -6.181 524 HG3 ARG 65 2HG ARG 65 -5.446 10.662 -4.773 525 HD2 ARG 65 1HD ARG 65 -3.952 12.509 -3.609 526 HD3 ARG 65 2HD ARG 65 -3.828 13.108 -5.263 527 HE ARG 65 HE ARG 65 -6.020 13.768 -5.155 528 HH11 ARG 65 1HH1 ARG 65 -5.334 11.613 -2.508 529 HH12 ARG 65 2HH1 ARG 65 -6.851 11.891 -1.717 530 HH21 ARG 65 1HH2 ARG 65 -8.020 14.143 -4.123 531 HH22 ARG 65 2HH2 ARG 65 -8.378 13.330 -2.637 532 H VAL 66 H VAL 66 -1.231 12.426 -4.544 533 HA VAL 66 HA VAL 66 -2.297 14.274 -6.400 534 HB VAL 66 HB VAL 66 -0.913 15.942 -5.333 535 HG11 VAL 66 1HG1 VAL 66 -1.373 14.903 -2.819 536 HG12 VAL 66 2HG1 VAL 66 -2.524 15.819 -3.794 537 HG13 VAL 66 3HG1 VAL 66 -2.538 14.055 -3.835 538 HG21 VAL 66 3HG2 VAL 66 0.940 15.527 -4.019 539 HG22 VAL 66 1HG2 VAL 66 0.436 13.878 -3.646 540 HG23 VAL 66 2HG2 VAL 66 1.081 14.264 -5.242 541 H GLN 67 H GLN 67 0.572 12.343 -6.382 542 HA GLN 67 HA GLN 67 2.062 13.905 -8.250 543 HB2 GLN 67 1HB GLN 67 2.317 11.194 -7.041 544 HB3 GLN 67 2HB GLN 67 3.212 11.521 -8.519 545 HG2 GLN 67 1HG GLN 67 4.409 13.302 -7.495 546 HG3 GLN 67 2HG GLN 67 3.376 13.251 -6.067 547 HE21 GLN 67 1HE2 GLN 67 3.780 11.787 -4.481 548 HE22 GLN 67 2HE2 GLN 67 5.149 10.733 -4.474 549 H HIS 68 H HIS 68 -0.596 11.815 -8.533 550 HA HIS 68 HA HIS 68 -0.030 11.070 -11.288 551 HB2 HIS 68 1HB HIS 68 -1.063 9.345 -10.015 552 HB3 HIS 68 2HB HIS 68 -2.298 10.440 -9.401 553 HD1 HIS 68 1HD HIS 68 -1.363 8.450 -12.432 554 HD2 HIS 68 2HD HIS 68 -4.479 10.849 -11.091 555 HE1 HIS 68 1HE HIS 68 -3.236 8.098 -14.072 556 HE2 HIS 68 2HE HIS 68 -5.080 9.624 -13.288 557 H MET 69 H MET 69 -2.218 13.156 -9.467 558 HA MET 69 HA MET 69 -3.713 13.995 -11.753 559 HB2 MET 69 1HB MET 69 -3.486 15.510 -9.160 560 HB3 MET 69 2HB MET 69 -4.832 15.487 -10.292 561 HG2 MET 69 1HG MET 69 -5.064 13.022 -9.720 562 HG3 MET 69 2HG MET 69 -3.972 13.348 -8.376 563 HE1 MET 69 3HE MET 69 -4.840 14.911 -6.108 564 HE2 MET 69 1HE MET 69 -4.489 16.007 -7.446 565 HE3 MET 69 2HE MET 69 -5.983 16.188 -6.527 566 H GLN 70 H GLN 70 -0.971 15.289 -9.946 567 HA GLN 70 HA GLN 70 -0.810 17.813 -11.102 568 HB2 GLN 70 1HB GLN 70 1.441 17.894 -10.334 569 HB3 GLN 70 2HB GLN 70 0.541 16.941 -9.161 570 HG2 GLN 70 1HG GLN 70 1.439 14.902 -10.030 571 HG3 GLN 70 2HG GLN 70 2.199 15.756 -11.372 572 HE21 GLN 70 1HE2 GLN 70 4.219 16.438 -11.130 573 HE22 GLN 70 2HE2 GLN 70 5.093 16.477 -9.641 574 H ASP 71 H ASP 71 0.393 14.706 -12.256 575 HA ASP 71 HA ASP 71 1.951 15.609 -14.391 576 HB2 ASP 71 1HB ASP 71 0.510 13.059 -13.785 577 HB3 ASP 71 2HB ASP 71 1.193 13.291 -15.392 578 H HIS 72 H HIS 72 -1.512 14.966 -14.178 579 HA HIS 72 HA HIS 72 -1.869 16.432 -16.694 580 HB2 HIS 72 1HB HIS 72 -3.791 14.754 -17.154 581 HB3 HIS 72 2HB HIS 72 -2.139 14.261 -17.510 582 HD1 HIS 72 1HD HIS 72 -5.026 13.511 -15.295 583 HD2 HIS 72 2HD HIS 72 -1.087 12.285 -15.782 584 HE1 HIS 72 1HE HIS 72 -4.804 11.407 -13.936 585 HE2 HIS 72 2HE HIS 72 -2.390 10.731 -14.177 586 HA PRO 73 HA PRO 73 -4.697 18.568 -13.995 587 HB2 PRO 73 1HB PRO 73 -5.521 20.382 -15.839 588 HB3 PRO 73 2HB PRO 73 -3.965 20.496 -15.008 589 HG2 PRO 73 1HG PRO 73 -4.579 19.447 -17.744 590 HG3 PRO 73 2HG PRO 73 -3.244 20.489 -17.219 591 HD2 PRO 73 1HD PRO 73 -2.942 17.829 -17.624 592 HD3 PRO 73 2HD PRO 73 -2.018 18.719 -16.397 593 H ASN 74 H ASN 74 -5.376 16.493 -16.484 594 HA ASN 74 HA ASN 74 -7.933 16.958 -17.338 595 HB2 ASN 74 1HB ASN 74 -6.436 14.436 -16.720 596 HB3 ASN 74 2HB ASN 74 -8.135 14.345 -17.176 597 HD21 ASN 74 1HD2 ASN 74 -5.045 15.720 -18.207 598 HD22 ASN 74 2HD2 ASN 74 -5.344 15.570 -19.902 599 H TYR 75 H TYR 75 -6.895 15.752 -14.206 600 HA TYR 75 HA TYR 75 -9.282 14.819 -13.172 601 HB2 TYR 75 1HB TYR 75 -8.339 15.114 -11.009 602 HB3 TYR 75 2HB TYR 75 -6.992 14.759 -12.086 603 HD1 TYR 75 2HD TYR 75 -5.422 16.547 -12.738 604 HD2 TYR 75 1HD TYR 75 -8.525 17.236 -9.909 605 HE1 TYR 75 2HE TYR 75 -4.282 18.596 -11.996 606 HE2 TYR 75 1HE TYR 75 -7.394 19.287 -9.160 607 HH TYR 75 HH TYR 75 -4.687 20.619 -10.862 608 H LYS 76 H LYS 76 -11.077 15.710 -12.283 609 HA LYS 76 HA LYS 76 -12.025 18.157 -13.096 610 HB2 LYS 76 1HB LYS 76 -13.729 17.940 -11.340 611 HB3 LYS 76 2HB LYS 76 -13.469 16.417 -12.179 612 HG2 LYS 76 1HG LYS 76 -12.019 15.685 -10.313 613 HG3 LYS 76 2HG LYS 76 -12.420 17.179 -9.462 614 HD2 LYS 76 1HD LYS 76 -14.646 15.471 -10.460 615 HD3 LYS 76 2HD LYS 76 -13.758 14.944 -9.028 616 HE2 LYS 76 1HE LYS 76 -14.280 16.986 -7.883 617 HE3 LYS 76 2HE LYS 76 -14.990 17.678 -9.341 618 HZ1 LYS 76 3HZ LYS 76 -16.211 15.197 -8.655 619 HZ2 LYS 76 1HZ LYS 76 -16.923 16.713 -8.899 620 HZ3 LYS 76 2HZ LYS 76 -16.313 16.300 -7.376 621 H SER 77 H SER 77 -12.235 20.197 -12.160 622 HA SER 77 HA SER 77 -11.600 22.031 -10.971 623 HB2 SER 77 1HB SER 77 -12.282 20.387 -9.059 624 HB3 SER 77 2HB SER 77 -10.546 20.284 -8.767 625 HG SER 77 HG SER 77 -11.158 21.960 -7.539 626 H GLY 78 H GLY 78 -9.800 20.940 -12.845 627 HA2 GLY 78 1HA GLY 78 -7.153 20.860 -11.731 628 HA3 GLY 78 2HA GLY 78 -7.566 20.884 -13.439 629 HA PRO 79 HA PRO 79 -6.203 25.038 -13.719 630 HB2 PRO 79 1HB PRO 79 -7.838 26.005 -15.659 631 HB3 PRO 79 2HB PRO 79 -6.525 24.868 -15.988 632 HG2 PRO 79 1HG PRO 79 -9.453 24.338 -15.665 633 HG3 PRO 79 2HG PRO 79 -8.321 23.676 -16.858 634 HD2 PRO 79 1HD PRO 79 -9.097 22.293 -14.663 635 HD3 PRO 79 2HD PRO 79 -7.485 22.113 -15.385 636 H SER 80 H SER 80 -6.928 27.320 -13.586 637 HA SER 80 HA SER 80 -9.548 27.987 -12.730 638 HB2 SER 80 1HB SER 80 -8.938 28.608 -10.373 639 HB3 SER 80 2HB SER 80 -8.970 26.871 -10.675 640 HG SER 80 HG SER 80 -6.561 27.396 -11.178 641 H SER 81 H SER 81 -9.870 30.182 -12.695 642 HA SER 81 HA SER 81 -7.489 31.876 -13.058 643 HB2 SER 81 1HB SER 81 -8.679 31.439 -15.219 644 HB3 SER 81 2HB SER 81 -10.106 32.220 -14.537 645 HG SER 81 HG SER 81 -9.238 34.016 -15.163 646 H GLY 82 H GLY 82 -7.688 32.370 -10.798 647 HA2 GLY 82 1HA GLY 82 -9.665 34.488 -10.332 648 HA3 GLY 82 2HA GLY 82 -9.571 33.166 -9.178 Start of MODEL 12 1 H1 GLY 1 H GLY 1 4.056 -12.288 -13.700 2 HA2 GLY 1 1HA GLY 1 6.164 -11.511 -12.884 3 HA3 GLY 1 2HA GLY 1 6.077 -13.199 -12.405 4 H SER 2 H SER 2 7.463 -10.917 -14.658 5 HA SER 2 HA SER 2 9.317 -13.009 -15.587 6 HB2 SER 2 1HB SER 2 9.664 -11.692 -17.590 7 HB3 SER 2 2HB SER 2 7.930 -11.909 -17.352 8 HG SER 2 HG SER 2 8.558 -9.731 -17.876 9 H SER 3 H SER 3 9.732 -11.820 -13.100 10 HA SER 3 HA SER 3 11.175 -10.526 -11.864 11 HB2 SER 3 1HB SER 3 13.514 -11.010 -12.360 12 HB3 SER 3 2HB SER 3 12.542 -12.464 -12.588 13 HG SER 3 HG SER 3 12.595 -12.088 -14.818 14 H GLY 4 H GLY 4 9.764 -8.903 -13.623 15 HA2 GLY 4 1HA GLY 4 11.551 -7.209 -15.103 16 HA3 GLY 4 2HA GLY 4 9.847 -6.911 -14.793 17 H SER 5 H SER 5 9.917 -4.827 -14.124 18 HA SER 5 HA SER 5 11.634 -4.219 -11.808 19 HB2 SER 5 1HB SER 5 10.550 -2.410 -13.975 20 HB3 SER 5 2HB SER 5 11.334 -1.813 -12.512 21 HG SER 5 HG SER 5 12.569 -2.349 -14.646 22 H SER 6 H SER 6 10.743 -2.677 -10.240 23 HA SER 6 HA SER 6 7.917 -3.257 -9.758 24 HB2 SER 6 1HB SER 6 8.326 -2.669 -7.463 25 HB3 SER 6 2HB SER 6 9.650 -3.710 -7.986 26 HG SER 6 HG SER 6 11.004 -2.107 -7.755 27 H GLY 7 H GLY 7 6.608 -1.483 -8.740 28 HA2 GLY 7 1HA GLY 7 6.521 1.003 -8.468 29 HA3 GLY 7 2HA GLY 7 7.213 1.080 -10.081 30 H ILE 8 H ILE 8 4.579 1.955 -8.785 31 HA ILE 8 HA ILE 8 2.709 0.540 -10.548 32 HB ILE 8 HB ILE 8 2.014 2.553 -8.413 33 HG12 ILE 8 1HG1 ILE 8 3.019 0.880 -7.139 34 HG13 ILE 8 2HG1 ILE 8 1.335 0.369 -7.166 35 HG21 ILE 8 1HG2 ILE 8 -0.200 1.550 -8.543 36 HG22 ILE 8 2HG2 ILE 8 0.306 2.151 -10.121 37 HG23 ILE 8 3HG2 ILE 8 0.369 0.423 -9.774 38 HD11 ILE 8 3HD1 ILE 8 1.983 -1.086 -9.147 39 HD12 ILE 8 1HD1 ILE 8 3.654 -0.759 -8.689 40 HD13 ILE 8 2HD1 ILE 8 2.571 -1.570 -7.557 41 H ARG 9 H ARG 9 1.318 1.671 -11.948 42 HA ARG 9 HA ARG 9 2.480 4.117 -13.002 43 HB2 ARG 9 1HB ARG 9 0.272 2.317 -14.006 44 HB3 ARG 9 2HB ARG 9 0.782 3.785 -14.828 45 HG2 ARG 9 1HG ARG 9 1.965 2.182 -15.963 46 HG3 ARG 9 2HG ARG 9 3.139 2.687 -14.747 47 HD2 ARG 9 1HD ARG 9 3.136 0.293 -14.848 48 HD3 ARG 9 2HD ARG 9 2.394 0.787 -13.327 49 HE ARG 9 HE ARG 9 0.292 0.490 -15.036 50 HH11 ARG 9 1HH1 ARG 9 2.914 -1.551 -13.996 51 HH12 ARG 9 2HH1 ARG 9 2.013 -3.020 -14.173 52 HH21 ARG 9 1HH2 ARG 9 -0.904 -1.438 -15.273 53 HH22 ARG 9 2HH2 ARG 9 -0.158 -2.955 -14.900 54 H ARG 10 H ARG 10 -0.577 2.997 -11.618 55 HA ARG 10 HA ARG 10 -1.591 5.745 -11.625 56 HB2 ARG 10 1HB ARG 10 -2.878 3.054 -11.285 57 HB3 ARG 10 2HB ARG 10 -3.701 4.510 -10.741 58 HG2 ARG 10 1HG ARG 10 -4.352 3.750 -13.014 59 HG3 ARG 10 2HG ARG 10 -3.739 5.403 -12.952 60 HD2 ARG 10 1HD ARG 10 -1.518 4.547 -13.656 61 HD3 ARG 10 2HD ARG 10 -2.233 2.945 -13.835 62 HE ARG 10 HE ARG 10 -2.532 5.195 -15.614 63 HH11 ARG 10 1HH1 ARG 10 -3.838 2.142 -14.569 64 HH12 ARG 10 2HH1 ARG 10 -4.694 1.854 -16.048 65 HH21 ARG 10 1HH2 ARG 10 -3.655 4.828 -17.565 66 HH22 ARG 10 2HH2 ARG 10 -4.589 3.382 -17.751 67 HA PRO 11 HA PRO 11 -0.919 6.393 -7.337 68 HB2 PRO 11 1HB PRO 11 -3.084 7.890 -6.675 69 HB3 PRO 11 2HB PRO 11 -1.746 8.514 -7.646 70 HG2 PRO 11 1HG PRO 11 -4.413 7.485 -8.535 71 HG3 PRO 11 2HG PRO 11 -3.519 8.910 -9.097 72 HD2 PRO 11 1HD PRO 11 -3.554 6.576 -10.470 73 HD3 PRO 11 2HD PRO 11 -2.152 7.665 -10.473 74 H MET 12 H MET 12 -1.576 5.775 -5.247 75 HA MET 12 HA MET 12 -3.859 3.912 -5.173 76 HB2 MET 12 1HB MET 12 -1.606 3.601 -3.250 77 HB3 MET 12 2HB MET 12 -2.660 2.379 -3.951 78 HG2 MET 12 1HG MET 12 -1.442 2.902 -6.154 79 HG3 MET 12 2HG MET 12 -0.235 3.672 -5.128 80 HE1 MET 12 3HE MET 12 0.056 0.807 -2.540 81 HE2 MET 12 1HE MET 12 1.500 1.525 -3.254 82 HE3 MET 12 2HE MET 12 0.120 2.543 -2.846 83 H ASN 13 H ASN 13 -5.065 3.805 -3.230 84 HA ASN 13 HA ASN 13 -5.072 6.326 -1.765 85 HB2 ASN 13 1HB ASN 13 -7.225 5.169 -0.780 86 HB3 ASN 13 2HB ASN 13 -7.248 5.873 -2.394 87 HD21 ASN 13 1HD2 ASN 13 -7.736 3.099 -0.550 88 HD22 ASN 13 2HD2 ASN 13 -7.952 1.974 -1.844 89 H ALA 14 H ALA 14 -6.039 5.819 0.638 90 HA ALA 14 HA ALA 14 -3.864 4.972 2.150 91 HB1 ALA 14 3HB ALA 14 -5.436 4.953 4.064 92 HB2 ALA 14 1HB ALA 14 -5.544 6.418 3.087 93 HB3 ALA 14 2HB ALA 14 -6.770 5.159 2.929 94 H PHE 15 H PHE 15 -6.806 3.209 1.245 95 HA PHE 15 HA PHE 15 -6.215 0.859 2.695 96 HB2 PHE 15 1HB PHE 15 -8.459 1.104 2.032 97 HB3 PHE 15 2HB PHE 15 -8.020 1.458 0.365 98 HD1 PHE 15 2HD PHE 15 -7.430 -0.324 -1.173 99 HD2 PHE 15 1HD PHE 15 -8.574 -1.158 2.841 100 HE1 PHE 15 2HE PHE 15 -7.763 -2.690 -1.763 101 HE2 PHE 15 1HE PHE 15 -8.907 -3.525 2.258 102 HZ PHE 15 HZ PHE 15 -8.503 -4.294 -0.047 103 H MET 16 H MET 16 -5.713 1.716 -0.719 104 HA MET 16 HA MET 16 -4.589 -0.695 -1.557 105 HB2 MET 16 1HB MET 16 -4.085 2.121 -2.532 106 HB3 MET 16 2HB MET 16 -3.528 0.675 -3.364 107 HG2 MET 16 1HG MET 16 -5.942 -0.050 -3.459 108 HG3 MET 16 2HG MET 16 -6.355 1.573 -2.911 109 HE1 MET 16 3HE MET 16 -3.401 0.662 -5.671 110 HE2 MET 16 1HE MET 16 -4.612 -0.598 -5.431 111 HE3 MET 16 2HE MET 16 -4.587 0.325 -6.933 112 H VAL 17 H VAL 17 -2.970 2.249 -0.378 113 HA VAL 17 HA VAL 17 -0.340 1.386 -0.577 114 HB VAL 17 HB VAL 17 -1.523 3.185 1.543 115 HG11 VAL 17 1HG1 VAL 17 0.661 3.975 1.980 116 HG12 VAL 17 2HG1 VAL 17 0.769 2.213 1.999 117 HG13 VAL 17 3HG1 VAL 17 1.330 3.117 0.592 118 HG21 VAL 17 3HG2 VAL 17 -1.713 3.683 -1.038 119 HG22 VAL 17 1HG2 VAL 17 -1.307 4.959 0.110 120 HG23 VAL 17 2HG2 VAL 17 -0.035 4.185 -0.834 121 H TRP 18 H TRP 18 -2.245 1.433 2.442 122 HA TRP 18 HA TRP 18 -0.518 -0.055 3.997 123 HB2 TRP 18 1HB TRP 18 -2.248 0.923 5.195 124 HB3 TRP 18 2HB TRP 18 -3.479 0.380 4.059 125 HD1 TRP 18 HD TRP 18 -1.566 -0.723 7.156 126 HE1 TRP 18 1HE TRP 18 -2.629 -2.882 8.070 127 HE3 TRP 18 3HE TRP 18 -4.774 -1.742 3.307 128 HZ2 TRP 18 2HZ TRP 18 -4.570 -4.767 7.266 129 HZ3 TRP 18 3HZ TRP 18 -6.198 -3.742 3.457 130 HH2 TRP 18 HH TRP 18 -6.096 -5.223 5.396 131 H ALA 19 H ALA 19 -2.796 -1.136 1.584 132 HA ALA 19 HA ALA 19 -2.765 -3.891 2.318 133 HB1 ALA 19 3HB ALA 19 -4.610 -3.512 1.058 134 HB2 ALA 19 1HB ALA 19 -3.816 -2.290 0.064 135 HB3 ALA 19 2HB ALA 19 -3.523 -4.003 -0.241 136 H LYS 20 H LYS 20 -0.893 -1.895 0.104 137 HA LYS 20 HA LYS 20 0.393 -3.614 -1.513 138 HB2 LYS 20 1HB LYS 20 2.170 -2.102 -1.651 139 HB3 LYS 20 2HB LYS 20 0.824 -1.104 -1.118 140 HG2 LYS 20 1HG LYS 20 1.757 -1.677 1.267 141 HG3 LYS 20 2HG LYS 20 3.247 -1.976 0.369 142 HD2 LYS 20 1HD LYS 20 1.694 0.550 -0.053 143 HD3 LYS 20 2HD LYS 20 2.795 0.394 1.317 144 HE2 LYS 20 1HE LYS 20 4.439 -0.455 -0.576 145 HE3 LYS 20 2HE LYS 20 3.379 0.515 -1.596 146 HZ1 LYS 20 3HZ LYS 20 5.463 1.399 0.017 147 HZ2 LYS 20 1HZ LYS 20 4.035 1.974 0.719 148 HZ3 LYS 20 2HZ LYS 20 4.390 2.337 -0.894 149 H ASP 21 H ASP 21 0.947 -3.280 1.945 150 HA ASP 21 HA ASP 21 3.048 -5.301 1.881 151 HB2 ASP 21 1HB ASP 21 3.204 -3.221 3.313 152 HB3 ASP 21 2HB ASP 21 1.914 -3.898 4.303 153 H GLU 22 H GLU 22 0.001 -4.793 3.671 154 HA GLU 22 HA GLU 22 -0.279 -7.193 4.910 155 HB2 GLU 22 1HB GLU 22 -1.898 -5.080 4.617 156 HB3 GLU 22 2HB GLU 22 -2.713 -6.195 3.530 157 HG2 GLU 22 1HG GLU 22 -1.984 -7.207 6.213 158 HG3 GLU 22 2HG GLU 22 -3.292 -6.030 6.113 159 H ARG 23 H ARG 23 -1.500 -6.503 1.629 160 HA ARG 23 HA ARG 23 -2.521 -8.895 0.895 161 HB2 ARG 23 1HB ARG 23 -2.310 -6.827 -0.533 162 HB3 ARG 23 2HB ARG 23 -0.664 -7.327 -0.896 163 HG2 ARG 23 1HG ARG 23 -1.673 -9.504 -1.732 164 HG3 ARG 23 2HG ARG 23 -3.231 -8.678 -1.656 165 HD2 ARG 23 1HD ARG 23 -2.713 -7.252 -3.374 166 HD3 ARG 23 2HD ARG 23 -0.980 -7.333 -3.060 167 HE ARG 23 HE ARG 23 -2.456 -8.960 -4.856 168 HH11 ARG 23 1HH1 ARG 23 0.217 -9.026 -2.626 169 HH12 ARG 23 2HH1 ARG 23 1.036 -10.316 -3.442 170 HH21 ARG 23 1HH2 ARG 23 -1.388 -10.659 -5.940 171 HH22 ARG 23 2HH2 ARG 23 0.123 -11.243 -5.328 172 H LYS 24 H LYS 24 0.930 -8.044 0.674 173 HA LYS 24 HA LYS 24 2.031 -10.258 -0.406 174 HB2 LYS 24 1HB LYS 24 3.094 -8.903 2.079 175 HB3 LYS 24 2HB LYS 24 4.028 -9.855 0.933 176 HG2 LYS 24 1HG LYS 24 3.210 -8.114 -0.801 177 HG3 LYS 24 2HG LYS 24 2.871 -7.120 0.617 178 HD2 LYS 24 1HD LYS 24 5.047 -6.523 -0.044 179 HD3 LYS 24 2HD LYS 24 5.268 -7.608 1.331 180 HE2 LYS 24 1HE LYS 24 5.226 -8.768 -1.410 181 HE3 LYS 24 2HE LYS 24 6.665 -7.893 -0.889 182 HZ1 LYS 24 3HZ LYS 24 6.235 -9.464 1.219 183 HZ2 LYS 24 1HZ LYS 24 7.233 -9.893 -0.077 184 HZ3 LYS 24 2HZ LYS 24 5.641 -10.460 -0.013 185 H ARG 25 H ARG 25 0.851 -9.964 2.911 186 HA ARG 25 HA ARG 25 1.723 -12.538 3.747 187 HB2 ARG 25 1HB ARG 25 0.755 -12.046 5.768 188 HB3 ARG 25 2HB ARG 25 0.936 -10.422 5.120 189 HG2 ARG 25 1HG ARG 25 -1.483 -10.892 4.188 190 HG3 ARG 25 2HG ARG 25 -1.517 -12.045 5.523 191 HD2 ARG 25 1HD ARG 25 -0.555 -9.959 6.848 192 HD3 ARG 25 2HD ARG 25 -1.385 -9.077 5.567 193 HE ARG 25 HE ARG 25 -3.393 -9.680 6.495 194 HH11 ARG 25 1HH1 ARG 25 -0.855 -11.623 7.875 195 HH12 ARG 25 2HH1 ARG 25 -1.872 -12.321 9.091 196 HH21 ARG 25 1HH2 ARG 25 -4.743 -10.592 8.092 197 HH22 ARG 25 2HH2 ARG 25 -4.084 -11.735 9.213 198 H LEU 26 H LEU 26 -1.205 -11.307 2.258 199 HA LEU 26 HA LEU 26 -2.822 -13.586 2.677 200 HB2 LEU 26 1HB LEU 26 -2.989 -11.620 0.401 201 HB3 LEU 26 2HB LEU 26 -4.277 -12.664 0.997 202 HG LEU 26 HG LEU 26 -3.117 -10.210 2.290 203 HD11 LEU 26 1HD1 LEU 26 -5.626 -9.711 2.394 204 HD12 LEU 26 2HD1 LEU 26 -5.802 -11.027 1.234 205 HD13 LEU 26 3HD1 LEU 26 -4.831 -9.613 0.823 206 HD21 LEU 26 3HD2 LEU 26 -4.525 -10.691 4.231 207 HD22 LEU 26 1HD2 LEU 26 -3.293 -11.933 4.006 208 HD23 LEU 26 2HD2 LEU 26 -4.961 -12.251 3.531 209 H ALA 27 H ALA 27 -0.804 -12.578 -0.067 210 HA ALA 27 HA ALA 27 -1.367 -14.639 -1.826 211 HB1 ALA 27 3HB ALA 27 0.897 -12.787 -1.426 212 HB2 ALA 27 1HB ALA 27 1.224 -14.228 -2.390 213 HB3 ALA 27 2HB ALA 27 -0.061 -13.118 -2.869 214 H GLN 28 H GLN 28 1.335 -14.513 0.505 215 HA GLN 28 HA GLN 28 2.253 -17.118 0.060 216 HB2 GLN 28 1HB GLN 28 3.413 -16.892 2.210 217 HB3 GLN 28 2HB GLN 28 3.583 -15.440 1.232 218 HG2 GLN 28 1HG GLN 28 2.202 -14.194 2.600 219 HG3 GLN 28 2HG GLN 28 1.417 -15.620 3.276 220 HE21 GLN 28 1HE2 GLN 28 1.922 -14.285 5.249 221 HE22 GLN 28 2HE2 GLN 28 3.435 -14.587 6.027 222 H GLN 29 H GLN 29 -0.243 -15.874 2.199 223 HA GLN 29 HA GLN 29 -0.629 -18.325 3.612 224 HB2 GLN 29 1HB GLN 29 -2.012 -15.696 3.462 225 HB3 GLN 29 2HB GLN 29 -2.938 -17.065 4.063 226 HG2 GLN 29 1HG GLN 29 -0.808 -17.408 5.572 227 HG3 GLN 29 2HG GLN 29 -0.593 -15.687 5.253 228 HE21 GLN 29 1HE2 GLN 29 -2.310 -14.249 5.851 229 HE22 GLN 29 2HE2 GLN 29 -3.365 -14.659 7.157 230 H ASN 30 H ASN 30 -1.878 -16.942 0.672 231 HA ASN 30 HA ASN 30 -3.397 -19.412 0.213 232 HB2 ASN 30 1HB ASN 30 -4.395 -16.632 -0.448 233 HB3 ASN 30 2HB ASN 30 -5.227 -18.143 -0.805 234 HD21 ASN 30 1HD2 ASN 30 -4.978 -15.629 1.328 235 HD22 ASN 30 2HD2 ASN 30 -5.757 -16.345 2.694 236 HA PRO 31 HA PRO 31 -0.531 -18.604 -3.298 237 HB2 PRO 31 1HB PRO 31 0.073 -21.223 -3.682 238 HB3 PRO 31 2HB PRO 31 0.910 -20.206 -2.502 239 HG2 PRO 31 1HG PRO 31 -1.305 -22.173 -2.074 240 HG3 PRO 31 2HG PRO 31 0.159 -21.910 -1.109 241 HD2 PRO 31 1HD PRO 31 -2.257 -20.920 -0.391 242 HD3 PRO 31 2HD PRO 31 -0.735 -20.085 -0.021 243 H ASP 32 H ASP 32 -3.510 -20.101 -2.857 244 HA ASP 32 HA ASP 32 -3.767 -20.729 -5.720 245 HB2 ASP 32 1HB ASP 32 -4.298 -22.446 -3.811 246 HB3 ASP 32 2HB ASP 32 -5.804 -21.542 -3.678 247 H LEU 33 H LEU 33 -4.756 -18.587 -3.244 248 HA LEU 33 HA LEU 33 -7.166 -17.713 -4.580 249 HB2 LEU 33 1HB LEU 33 -5.677 -16.683 -2.175 250 HB3 LEU 33 2HB LEU 33 -7.154 -15.949 -2.794 251 HG LEU 33 HG LEU 33 -6.900 -18.753 -1.708 252 HD11 LEU 33 1HD1 LEU 33 -7.774 -18.024 0.273 253 HD12 LEU 33 2HD1 LEU 33 -8.553 -16.621 -0.456 254 HD13 LEU 33 3HD1 LEU 33 -6.812 -16.616 -0.177 255 HD21 LEU 33 3HD2 LEU 33 -9.574 -17.762 -1.885 256 HD22 LEU 33 1HD2 LEU 33 -8.867 -19.195 -2.631 257 HD23 LEU 33 2HD2 LEU 33 -8.801 -17.643 -3.467 258 H HIS 34 H HIS 34 -7.493 -15.622 -5.455 259 HA HIS 34 HA HIS 34 -5.016 -14.355 -6.423 260 HB2 HIS 34 1HB HIS 34 -6.408 -13.543 -8.333 261 HB3 HIS 34 2HB HIS 34 -6.258 -15.296 -8.261 262 HD1 HIS 34 1HD HIS 34 -8.723 -12.606 -8.377 263 HD2 HIS 34 2HD HIS 34 -8.651 -16.600 -7.234 264 HE1 HIS 34 1HE HIS 34 -11.132 -13.319 -8.273 265 HE2 HIS 34 2HE HIS 34 -11.067 -15.714 -7.497 266 H ASN 35 H ASN 35 -5.379 -11.983 -7.038 267 HA ASN 35 HA ASN 35 -5.649 -10.375 -4.922 268 HB2 ASN 35 1HB ASN 35 -6.628 -9.758 -7.717 269 HB3 ASN 35 2HB ASN 35 -6.363 -8.546 -6.468 270 HD21 ASN 35 1HD2 ASN 35 -4.701 -7.439 -7.303 271 HD22 ASN 35 2HD2 ASN 35 -3.159 -8.119 -7.685 272 H ALA 36 H ALA 36 -8.403 -10.617 -7.173 273 HA ALA 36 HA ALA 36 -10.383 -9.443 -5.842 274 HB1 ALA 36 3HB ALA 36 -11.762 -10.486 -7.262 275 HB2 ALA 36 1HB ALA 36 -10.300 -11.232 -7.909 276 HB3 ALA 36 2HB ALA 36 -11.271 -12.087 -6.710 277 H GLU 37 H GLU 37 -9.032 -12.582 -4.981 278 HA GLU 37 HA GLU 37 -10.930 -13.014 -2.854 279 HB2 GLU 37 1HB GLU 37 -8.395 -14.462 -3.631 280 HB3 GLU 37 2HB GLU 37 -9.441 -14.960 -2.309 281 HG2 GLU 37 1HG GLU 37 -9.905 -15.084 -5.244 282 HG3 GLU 37 2HG GLU 37 -10.172 -16.311 -4.006 283 H LEU 38 H LEU 38 -7.524 -12.078 -3.116 284 HA LEU 38 HA LEU 38 -6.946 -12.000 -0.373 285 HB2 LEU 38 1HB LEU 38 -5.736 -10.135 -2.388 286 HB3 LEU 38 2HB LEU 38 -4.996 -10.817 -0.941 287 HG LEU 38 HG LEU 38 -5.620 -12.268 -3.511 288 HD11 LEU 38 1HD1 LEU 38 -3.306 -10.863 -2.493 289 HD12 LEU 38 2HD1 LEU 38 -3.614 -11.517 -4.102 290 HD13 LEU 38 3HD1 LEU 38 -2.945 -12.554 -2.841 291 HD21 LEU 38 3HD2 LEU 38 -4.441 -14.171 -2.400 292 HD22 LEU 38 1HD2 LEU 38 -6.023 -13.791 -1.717 293 HD23 LEU 38 2HD2 LEU 38 -4.556 -13.282 -0.880 294 H SER 39 H SER 39 -8.179 -9.507 -2.565 295 HA SER 39 HA SER 39 -8.089 -7.261 -1.039 296 HB2 SER 39 1HB SER 39 -9.282 -7.854 -3.375 297 HB3 SER 39 2HB SER 39 -10.710 -7.757 -2.346 298 HG SER 39 HG SER 39 -10.454 -5.702 -2.890 299 H LYS 40 H LYS 40 -10.993 -9.333 -1.094 300 HA LYS 40 HA LYS 40 -12.489 -8.351 0.876 301 HB2 LYS 40 1HB LYS 40 -11.869 -11.298 0.894 302 HB3 LYS 40 2HB LYS 40 -13.391 -10.503 1.275 303 HG2 LYS 40 1HG LYS 40 -13.073 -9.704 -1.274 304 HG3 LYS 40 2HG LYS 40 -12.249 -11.265 -1.328 305 HD2 LYS 40 1HD LYS 40 -14.423 -12.027 -0.008 306 HD3 LYS 40 2HD LYS 40 -15.114 -10.636 -0.846 307 HE2 LYS 40 1HE LYS 40 -13.500 -12.640 -2.365 308 HE3 LYS 40 2HE LYS 40 -15.176 -12.998 -1.953 309 HZ1 LYS 40 3HZ LYS 40 -14.367 -11.626 -4.134 310 HZ2 LYS 40 1HZ LYS 40 -14.799 -10.377 -3.077 311 HZ3 LYS 40 2HZ LYS 40 -15.925 -11.574 -3.478 312 H MET 41 H MET 41 -9.596 -10.324 1.432 313 HA MET 41 HA MET 41 -9.798 -10.319 4.261 314 HB2 MET 41 1HB MET 41 -7.393 -10.741 2.478 315 HB3 MET 41 2HB MET 41 -7.438 -11.075 4.204 316 HG2 MET 41 1HG MET 41 -9.266 -12.703 3.777 317 HG3 MET 41 2HG MET 41 -9.033 -12.439 2.051 318 HE1 MET 41 3HE MET 41 -6.387 -13.700 0.781 319 HE2 MET 41 1HE MET 41 -7.167 -15.226 1.197 320 HE3 MET 41 2HE MET 41 -8.147 -13.812 0.809 321 H LEU 42 H LEU 42 -7.961 -8.334 1.964 322 HA LEU 42 HA LEU 42 -6.583 -6.785 3.857 323 HB2 LEU 42 1HB LEU 42 -7.481 -6.014 1.084 324 HB3 LEU 42 2HB LEU 42 -6.256 -5.180 2.038 325 HG LEU 42 HG LEU 42 -6.021 -8.024 1.058 326 HD11 LEU 42 1HD1 LEU 42 -4.301 -7.005 -0.478 327 HD12 LEU 42 2HD1 LEU 42 -4.991 -5.434 -0.073 328 HD13 LEU 42 3HD1 LEU 42 -5.985 -6.655 -0.869 329 HD21 LEU 42 3HD2 LEU 42 -4.209 -8.178 2.332 330 HD22 LEU 42 1HD2 LEU 42 -4.648 -6.637 3.069 331 HD23 LEU 42 2HD2 LEU 42 -3.564 -6.671 1.678 332 H GLY 43 H GLY 43 -9.866 -6.718 2.801 333 HA2 GLY 43 1HA GLY 43 -10.408 -4.005 3.561 334 HA3 GLY 43 2HA GLY 43 -11.599 -5.241 3.186 335 H LYS 44 H LYS 44 -11.421 -7.116 4.985 336 HA LYS 44 HA LYS 44 -12.621 -6.143 7.266 337 HB2 LYS 44 1HB LYS 44 -12.204 -8.330 8.270 338 HB3 LYS 44 2HB LYS 44 -12.695 -8.501 6.590 339 HG2 LYS 44 1HG LYS 44 -10.450 -8.956 5.909 340 HG3 LYS 44 2HG LYS 44 -9.833 -8.571 7.517 341 HD2 LYS 44 1HD LYS 44 -9.898 -10.939 7.359 342 HD3 LYS 44 2HD LYS 44 -11.250 -10.464 8.390 343 HE2 LYS 44 1HE LYS 44 -12.823 -10.869 6.700 344 HE3 LYS 44 2HE LYS 44 -11.593 -10.881 5.437 345 HZ1 LYS 44 3HZ LYS 44 -12.067 -12.952 7.505 346 HZ2 LYS 44 1HZ LYS 44 -10.701 -12.931 6.506 347 HZ3 LYS 44 2HZ LYS 44 -12.241 -13.111 5.830 348 H SER 45 H SER 45 -9.203 -6.643 6.619 349 HA SER 45 HA SER 45 -8.386 -6.096 9.319 350 HB2 SER 45 1HB SER 45 -6.929 -6.473 6.714 351 HB3 SER 45 2HB SER 45 -6.078 -5.906 8.150 352 HG SER 45 HG SER 45 -7.503 -8.339 7.836 353 H TRP 46 H TRP 46 -8.854 -4.261 6.391 354 HA TRP 46 HA TRP 46 -7.414 -1.946 7.197 355 HB2 TRP 46 1HB TRP 46 -7.915 -2.380 4.844 356 HB3 TRP 46 2HB TRP 46 -9.641 -2.255 5.172 357 HD1 TRP 46 HD TRP 46 -10.614 0.006 4.510 358 HE1 TRP 46 1HE TRP 46 -9.733 2.416 4.306 359 HE3 TRP 46 3HE TRP 46 -5.809 -0.749 6.084 360 HZ2 TRP 46 2HZ TRP 46 -7.321 3.812 4.752 361 HZ3 TRP 46 3HZ TRP 46 -4.278 1.176 6.165 362 HH2 TRP 46 HH TRP 46 -5.021 3.408 5.512 363 H LYS 47 H LYS 47 -10.935 -2.246 6.726 364 HA LYS 47 HA LYS 47 -11.766 -0.008 8.026 365 HB2 LYS 47 1HB LYS 47 -12.966 -2.697 7.620 366 HB3 LYS 47 2HB LYS 47 -13.751 -1.639 8.786 367 HG2 LYS 47 1HG LYS 47 -14.247 -0.028 7.161 368 HG3 LYS 47 2HG LYS 47 -13.105 -0.719 6.005 369 HD2 LYS 47 1HD LYS 47 -15.514 -2.225 6.994 370 HD3 LYS 47 2HD LYS 47 -15.574 -1.164 5.585 371 HE2 LYS 47 1HE LYS 47 -13.915 -2.484 4.455 372 HE3 LYS 47 2HE LYS 47 -13.650 -3.464 5.896 373 HZ1 LYS 47 3HZ LYS 47 -16.269 -3.320 4.521 374 HZ2 LYS 47 1HZ LYS 47 -15.765 -4.442 5.683 375 HZ3 LYS 47 2HZ LYS 47 -15.096 -4.474 4.130 376 H ALA 48 H ALA 48 -10.617 -2.976 9.474 377 HA ALA 48 HA ALA 48 -11.493 -2.509 12.114 378 HB1 ALA 48 3HB ALA 48 -9.338 -4.206 10.915 379 HB2 ALA 48 1HB ALA 48 -9.509 -4.066 12.665 380 HB3 ALA 48 2HB ALA 48 -10.841 -4.697 11.696 381 H LEU 49 H LEU 49 -8.572 -1.569 10.372 382 HA LEU 49 HA LEU 49 -7.056 -0.626 12.511 383 HB2 LEU 49 1HB LEU 49 -7.194 0.333 9.659 384 HB3 LEU 49 2HB LEU 49 -5.967 0.847 10.815 385 HG LEU 49 HG LEU 49 -6.369 -2.018 9.969 386 HD11 LEU 49 1HD1 LEU 49 -4.647 -1.781 8.393 387 HD12 LEU 49 2HD1 LEU 49 -4.203 -0.183 8.991 388 HD13 LEU 49 3HD1 LEU 49 -5.715 -0.406 8.112 389 HD21 LEU 49 3HD2 LEU 49 -5.189 -2.158 11.921 390 HD22 LEU 49 1HD2 LEU 49 -4.463 -0.562 11.728 391 HD23 LEU 49 2HD2 LEU 49 -3.862 -1.924 10.781 392 H THR 50 H THR 50 -6.698 1.498 13.308 393 HA THR 50 HA THR 50 -9.132 3.128 13.304 394 HB THR 50 HB THR 50 -8.233 4.208 15.304 395 HG1 THR 50 1HG THR 50 -6.223 3.802 16.025 396 HG21 THR 50 3HG2 THR 50 -7.984 1.208 15.528 397 HG22 THR 50 1HG2 THR 50 -9.513 2.085 15.505 398 HG23 THR 50 2HG2 THR 50 -8.371 2.339 16.824 399 H LEU 51 H LEU 51 -8.698 5.555 13.580 400 HA LEU 51 HA LEU 51 -7.672 6.617 11.265 401 HB2 LEU 51 1HB LEU 51 -9.134 7.806 12.855 402 HB3 LEU 51 2HB LEU 51 -7.768 7.974 13.957 403 HG LEU 51 HG LEU 51 -8.502 9.954 12.406 404 HD11 LEU 51 1HD1 LEU 51 -5.584 9.591 12.281 405 HD12 LEU 51 2HD1 LEU 51 -6.310 9.414 13.878 406 HD13 LEU 51 3HD1 LEU 51 -6.541 10.905 12.966 407 HD21 LEU 51 3HD2 LEU 51 -6.685 8.379 10.584 408 HD22 LEU 51 1HD2 LEU 51 -7.274 10.018 10.306 409 HD23 LEU 51 2HD2 LEU 51 -8.406 8.666 10.325 410 H ALA 52 H ALA 52 -6.053 6.673 14.446 411 HA ALA 52 HA ALA 52 -3.646 7.775 13.683 412 HB1 ALA 52 3HB ALA 52 -3.871 5.562 15.709 413 HB2 ALA 52 1HB ALA 52 -2.713 6.893 15.672 414 HB3 ALA 52 2HB ALA 52 -4.414 7.212 16.019 415 H GLU 53 H GLU 53 -4.787 4.488 13.266 416 HA GLU 53 HA GLU 53 -2.252 3.405 12.508 417 HB2 GLU 53 1HB GLU 53 -5.084 2.410 12.237 418 HB3 GLU 53 2HB GLU 53 -3.708 1.505 11.623 419 HG2 GLU 53 1HG GLU 53 -3.933 2.382 14.485 420 HG3 GLU 53 2HG GLU 53 -4.562 0.843 13.898 421 H LYS 54 H LYS 54 -4.959 4.851 10.814 422 HA LYS 54 HA LYS 54 -3.860 4.201 8.208 423 HB2 LYS 54 1HB LYS 54 -6.206 5.996 8.833 424 HB3 LYS 54 2HB LYS 54 -5.830 5.226 7.297 425 HG2 LYS 54 1HG LYS 54 -6.455 3.111 8.072 426 HG3 LYS 54 2HG LYS 54 -6.396 3.616 9.762 427 HD2 LYS 54 1HD LYS 54 -8.653 3.675 9.445 428 HD3 LYS 54 2HD LYS 54 -8.256 5.314 8.924 429 HE2 LYS 54 1HE LYS 54 -8.314 3.037 6.974 430 HE3 LYS 54 2HE LYS 54 -9.794 3.878 7.434 431 HZ1 LYS 54 3HZ LYS 54 -7.388 5.108 6.203 432 HZ2 LYS 54 1HZ LYS 54 -8.758 5.961 6.710 433 HZ3 LYS 54 2HZ LYS 54 -8.878 4.844 5.446 434 H ARG 55 H ARG 55 -3.308 6.527 10.522 435 HA ARG 55 HA ARG 55 -3.098 8.918 9.120 436 HB2 ARG 55 1HB ARG 55 -2.659 8.227 11.670 437 HB3 ARG 55 2HB ARG 55 -0.990 8.306 11.121 438 HG2 ARG 55 1HG ARG 55 -1.397 10.433 11.947 439 HG3 ARG 55 2HG ARG 55 -1.613 10.621 10.205 440 HD2 ARG 55 1HD ARG 55 -4.104 10.125 10.711 441 HD3 ARG 55 2HD ARG 55 -3.678 10.536 12.371 442 HE ARG 55 HE ARG 55 -2.719 12.632 10.971 443 HH11 ARG 55 1HH1 ARG 55 -5.816 11.042 11.039 444 HH12 ARG 55 2HH1 ARG 55 -6.706 12.475 10.645 445 HH21 ARG 55 1HH2 ARG 55 -3.880 14.525 10.452 446 HH22 ARG 55 2HH2 ARG 55 -5.604 14.456 10.310 447 HA PRO 56 HA PRO 56 1.461 7.634 8.066 448 HB2 PRO 56 1HB PRO 56 2.032 4.985 8.239 449 HB3 PRO 56 2HB PRO 56 2.252 6.106 9.588 450 HG2 PRO 56 1HG PRO 56 0.000 4.208 9.050 451 HG3 PRO 56 2HG PRO 56 0.832 4.553 10.578 452 HD2 PRO 56 1HD PRO 56 -1.574 5.628 9.953 453 HD3 PRO 56 2HD PRO 56 -0.374 6.483 10.943 454 H PHE 57 H PHE 57 -1.211 5.481 7.331 455 HA PHE 57 HA PHE 57 -0.163 4.970 4.652 456 HB2 PHE 57 1HB PHE 57 -2.709 3.912 5.889 457 HB3 PHE 57 2HB PHE 57 -1.900 3.315 4.444 458 HD1 PHE 57 1HD PHE 57 0.587 2.532 4.825 459 HD2 PHE 57 2HD PHE 57 -2.373 2.806 7.872 460 HE1 PHE 57 1HE PHE 57 1.854 0.928 6.195 461 HE2 PHE 57 2HE PHE 57 -1.110 1.203 9.247 462 HZ PHE 57 HZ PHE 57 1.006 0.262 8.409 463 H VAL 58 H VAL 58 -2.106 7.200 6.208 464 HA VAL 58 HA VAL 58 -3.839 7.686 3.907 465 HB VAL 58 HB VAL 58 -3.779 8.759 6.711 466 HG11 VAL 58 1HG1 VAL 58 -4.099 10.713 5.339 467 HG12 VAL 58 2HG1 VAL 58 -5.330 9.885 4.382 468 HG13 VAL 58 3HG1 VAL 58 -5.638 10.269 6.076 469 HG21 VAL 58 3HG2 VAL 58 -5.637 7.529 7.030 470 HG22 VAL 58 1HG2 VAL 58 -6.281 7.900 5.431 471 HG23 VAL 58 2HG2 VAL 58 -5.066 6.636 5.621 472 H GLU 59 H GLU 59 -1.202 9.180 5.705 473 HA GLU 59 HA GLU 59 -1.243 11.601 4.157 474 HB2 GLU 59 1HB GLU 59 0.977 10.567 5.925 475 HB3 GLU 59 2HB GLU 59 0.724 12.226 5.400 476 HG2 GLU 59 1HG GLU 59 -1.447 10.908 6.931 477 HG3 GLU 59 2HG GLU 59 0.010 11.387 7.798 478 H GLU 60 H GLU 60 -0.156 8.486 3.578 479 HA GLU 60 HA GLU 60 2.053 9.301 1.854 480 HB2 GLU 60 1HB GLU 60 2.617 7.378 3.067 481 HB3 GLU 60 2HB GLU 60 1.030 6.656 2.840 482 HG2 GLU 60 1HG GLU 60 1.518 5.896 0.739 483 HG3 GLU 60 2HG GLU 60 2.731 7.142 0.450 484 H ALA 61 H ALA 61 -1.010 7.506 1.599 485 HA ALA 61 HA ALA 61 -0.987 7.144 -1.173 486 HB1 ALA 61 3HB ALA 61 -3.673 7.495 -0.300 487 HB2 ALA 61 1HB ALA 61 -2.819 5.999 -0.678 488 HB3 ALA 61 2HB ALA 61 -2.777 6.648 0.961 489 H GLU 62 H GLU 62 -1.880 9.901 0.778 490 HA GLU 62 HA GLU 62 -3.333 11.331 -1.170 491 HB2 GLU 62 1HB GLU 62 -3.539 12.039 1.084 492 HB3 GLU 62 2HB GLU 62 -1.798 12.191 1.274 493 HG2 GLU 62 1HG GLU 62 -1.715 14.213 0.226 494 HG3 GLU 62 2HG GLU 62 -3.133 13.882 -0.767 495 H ARG 63 H ARG 63 0.105 11.229 -0.366 496 HA ARG 63 HA ARG 63 0.910 13.316 -2.093 497 HB2 ARG 63 1HB ARG 63 2.456 10.952 -1.017 498 HB3 ARG 63 2HB ARG 63 3.180 12.314 -1.861 499 HG2 ARG 63 1HG ARG 63 2.656 13.806 -0.119 500 HG3 ARG 63 2HG ARG 63 1.549 12.656 0.635 501 HD2 ARG 63 1HD ARG 63 3.397 12.432 1.981 502 HD3 ARG 63 2HD ARG 63 3.690 11.161 0.794 503 HE ARG 63 HE ARG 63 5.190 13.607 1.139 504 HH11 ARG 63 1HH1 ARG 63 4.423 10.938 -0.961 505 HH12 ARG 63 2HH1 ARG 63 5.871 11.092 -1.900 506 HH21 ARG 63 1HH2 ARG 63 7.100 13.819 -0.090 507 HH22 ARG 63 2HH2 ARG 63 7.394 12.730 -1.403 508 H LEU 64 H LEU 64 0.584 9.829 -2.533 509 HA LEU 64 HA LEU 64 1.742 9.739 -5.121 510 HB2 LEU 64 1HB LEU 64 -0.317 7.822 -4.070 511 HB3 LEU 64 2HB LEU 64 0.963 7.513 -5.241 512 HG LEU 64 HG LEU 64 1.375 8.036 -2.297 513 HD11 LEU 64 1HD1 LEU 64 2.273 5.518 -2.808 514 HD12 LEU 64 2HD1 LEU 64 0.848 5.607 -3.842 515 HD13 LEU 64 3HD1 LEU 64 0.701 5.910 -2.111 516 HD21 LEU 64 3HD2 LEU 64 3.658 6.919 -3.170 517 HD22 LEU 64 1HD2 LEU 64 3.397 8.661 -3.082 518 HD23 LEU 64 2HD2 LEU 64 3.187 7.815 -4.615 519 H ARG 65 H ARG 65 -1.445 10.471 -3.929 520 HA ARG 65 HA ARG 65 -2.813 10.140 -6.409 521 HB2 ARG 65 1HB ARG 65 -4.357 10.098 -4.737 522 HB3 ARG 65 2HB ARG 65 -3.447 11.213 -3.725 523 HG2 ARG 65 1HG ARG 65 -4.175 13.058 -5.242 524 HG3 ARG 65 2HG ARG 65 -5.225 11.894 -6.053 525 HD2 ARG 65 1HD ARG 65 -5.417 12.074 -3.101 526 HD3 ARG 65 2HD ARG 65 -6.056 13.427 -4.034 527 HE ARG 65 HE ARG 65 -7.073 11.122 -5.180 528 HH11 ARG 65 1HH1 ARG 65 -7.221 12.748 -2.106 529 HH12 ARG 65 2HH1 ARG 65 -8.806 12.161 -1.724 530 HH21 ARG 65 1HH2 ARG 65 -9.160 10.343 -4.690 531 HH22 ARG 65 2HH2 ARG 65 -9.907 10.792 -3.194 532 H VAL 66 H VAL 66 -1.820 13.055 -4.604 533 HA VAL 66 HA VAL 66 -2.525 14.934 -6.533 534 HB VAL 66 HB VAL 66 -0.759 16.390 -5.467 535 HG11 VAL 66 1HG1 VAL 66 -2.046 15.676 -3.069 536 HG12 VAL 66 2HG1 VAL 66 -2.502 16.944 -4.208 537 HG13 VAL 66 3HG1 VAL 66 -3.179 15.324 -4.374 538 HG21 VAL 66 3HG2 VAL 66 0.825 14.666 -4.836 539 HG22 VAL 66 1HG2 VAL 66 0.281 15.536 -3.402 540 HG23 VAL 66 2HG2 VAL 66 -0.364 13.934 -3.759 541 H GLN 67 H GLN 67 0.210 12.801 -6.368 542 HA GLN 67 HA GLN 67 1.882 14.196 -8.194 543 HB2 GLN 67 1HB GLN 67 1.819 11.421 -7.075 544 HB3 GLN 67 2HB GLN 67 2.873 11.777 -8.437 545 HG2 GLN 67 1HG GLN 67 4.045 13.441 -7.172 546 HG3 GLN 67 2HG GLN 67 2.908 13.284 -5.835 547 HE21 GLN 67 1HE2 GLN 67 2.886 11.294 -4.653 548 HE22 GLN 67 2HE2 GLN 67 4.315 10.327 -4.559 549 H HIS 68 H HIS 68 -0.098 11.256 -8.604 550 HA HIS 68 HA HIS 68 0.226 10.740 -11.242 551 HB2 HIS 68 1HB HIS 68 -1.203 9.342 -9.915 552 HB3 HIS 68 2HB HIS 68 -2.334 10.664 -9.640 553 HD1 HIS 68 1HD HIS 68 -1.109 8.421 -12.432 554 HD2 HIS 68 2HD HIS 68 -4.327 10.878 -11.500 555 HE1 HIS 68 1HE HIS 68 -2.798 8.039 -14.256 556 HE2 HIS 68 2HE HIS 68 -4.700 9.599 -13.717 557 H MET 69 H MET 69 -1.362 13.495 -9.868 558 HA MET 69 HA MET 69 -2.696 14.275 -12.297 559 HB2 MET 69 1HB MET 69 -2.153 15.912 -9.815 560 HB3 MET 69 2HB MET 69 -3.307 16.292 -11.085 561 HG2 MET 69 1HG MET 69 -4.648 14.380 -10.504 562 HG3 MET 69 2HG MET 69 -3.452 13.864 -9.317 563 HE1 MET 69 3HE MET 69 -5.360 14.364 -6.680 564 HE2 MET 69 1HE MET 69 -6.744 14.759 -7.701 565 HE3 MET 69 2HE MET 69 -5.596 13.522 -8.212 566 H GLN 70 H GLN 70 0.234 15.224 -10.558 567 HA GLN 70 HA GLN 70 1.030 17.454 -11.903 568 HB2 GLN 70 1HB GLN 70 3.147 17.071 -11.092 569 HB3 GLN 70 2HB GLN 70 2.214 15.998 -10.058 570 HG2 GLN 70 1HG GLN 70 2.750 14.149 -11.669 571 HG3 GLN 70 2HG GLN 70 3.870 15.262 -12.453 572 HE21 GLN 70 1HE2 GLN 70 3.545 12.917 -10.129 573 HE22 GLN 70 2HE2 GLN 70 4.996 13.211 -9.237 574 H ASP 71 H ASP 71 1.132 14.136 -13.048 575 HA ASP 71 HA ASP 71 2.737 14.516 -15.316 576 HB2 ASP 71 1HB ASP 71 1.977 12.311 -14.308 577 HB3 ASP 71 2HB ASP 71 0.441 12.565 -15.131 578 H HIS 72 H HIS 72 -0.725 14.942 -14.806 579 HA HIS 72 HA HIS 72 -0.852 16.414 -17.338 580 HB2 HIS 72 1HB HIS 72 -3.199 15.357 -17.616 581 HB3 HIS 72 2HB HIS 72 -1.791 14.398 -18.063 582 HD1 HIS 72 1HD HIS 72 -4.602 14.553 -15.637 583 HD2 HIS 72 2HD HIS 72 -1.238 12.220 -16.347 584 HE1 HIS 72 1HE HIS 72 -4.903 12.492 -14.228 585 HE2 HIS 72 2HE HIS 72 -2.815 11.135 -14.608 586 HA PRO 73 HA PRO 73 -2.730 19.289 -14.500 587 HB2 PRO 73 1HB PRO 73 -3.150 21.249 -16.331 588 HB3 PRO 73 2HB PRO 73 -1.564 20.919 -15.624 589 HG2 PRO 73 1HG PRO 73 -2.670 20.069 -18.273 590 HG3 PRO 73 2HG PRO 73 -1.056 20.690 -17.881 591 HD2 PRO 73 1HD PRO 73 -1.557 18.052 -18.228 592 HD3 PRO 73 2HD PRO 73 -0.322 18.649 -17.101 593 H ASN 74 H ASN 74 -4.176 17.439 -16.809 594 HA ASN 74 HA ASN 74 -6.565 18.642 -17.474 595 HB2 ASN 74 1HB ASN 74 -5.730 15.808 -17.040 596 HB3 ASN 74 2HB ASN 74 -7.446 16.153 -17.238 597 HD21 ASN 74 1HD2 ASN 74 -4.291 16.704 -18.728 598 HD22 ASN 74 2HD2 ASN 74 -4.864 16.700 -20.358 599 H TYR 75 H TYR 75 -5.602 17.184 -14.438 600 HA TYR 75 HA TYR 75 -8.134 17.009 -13.232 601 HB2 TYR 75 1HB TYR 75 -6.991 16.670 -11.191 602 HB3 TYR 75 2HB TYR 75 -5.933 15.998 -12.427 603 HD1 TYR 75 2HD TYR 75 -4.123 17.677 -13.362 604 HD2 TYR 75 1HD TYR 75 -6.082 18.090 -9.608 605 HE1 TYR 75 2HE TYR 75 -2.281 19.097 -12.563 606 HE2 TYR 75 1HE TYR 75 -4.246 19.512 -8.799 607 HH TYR 75 HH TYR 75 -1.332 20.005 -10.696 608 H LYS 76 H LYS 76 -5.675 19.574 -13.095 609 HA LYS 76 HA LYS 76 -7.718 21.584 -12.804 610 HB2 LYS 76 1HB LYS 76 -6.043 20.708 -10.508 611 HB3 LYS 76 2HB LYS 76 -6.305 22.436 -10.701 612 HG2 LYS 76 1HG LYS 76 -8.737 22.038 -10.697 613 HG3 LYS 76 2HG LYS 76 -8.432 20.323 -10.414 614 HD2 LYS 76 1HD LYS 76 -7.171 22.290 -8.574 615 HD3 LYS 76 2HD LYS 76 -8.907 22.009 -8.423 616 HE2 LYS 76 1HE LYS 76 -8.628 19.802 -7.807 617 HE3 LYS 76 2HE LYS 76 -7.047 19.678 -8.577 618 HZ1 LYS 76 3HZ LYS 76 -7.680 21.117 -6.058 619 HZ2 LYS 76 1HZ LYS 76 -6.172 21.148 -6.825 620 HZ3 LYS 76 2HZ LYS 76 -6.778 19.694 -6.211 621 H SER 77 H SER 77 -7.041 23.568 -13.488 622 HA SER 77 HA SER 77 -4.338 24.404 -13.569 623 HB2 SER 77 1HB SER 77 -3.884 22.952 -15.343 624 HB3 SER 77 2HB SER 77 -5.489 23.153 -16.046 625 HG SER 77 HG SER 77 -4.146 24.344 -17.305 626 H GLY 78 H GLY 78 -4.082 26.522 -14.483 627 HA2 GLY 78 1HA GLY 78 -5.367 28.256 -15.843 628 HA3 GLY 78 2HA GLY 78 -6.658 27.943 -14.693 629 HA PRO 79 HA PRO 79 -3.000 30.294 -12.488 630 HB2 PRO 79 1HB PRO 79 -1.579 31.881 -14.171 631 HB3 PRO 79 2HB PRO 79 -1.109 30.220 -13.791 632 HG2 PRO 79 1HG PRO 79 -2.559 31.276 -16.187 633 HG3 PRO 79 2HG PRO 79 -1.252 30.080 -16.107 634 HD2 PRO 79 1HD PRO 79 -3.852 29.381 -16.392 635 HD3 PRO 79 2HD PRO 79 -2.682 28.372 -15.517 636 H SER 80 H SER 80 -5.470 31.129 -14.497 637 HA SER 80 HA SER 80 -5.436 33.941 -14.495 638 HB2 SER 80 1HB SER 80 -7.759 32.003 -14.593 639 HB3 SER 80 2HB SER 80 -7.904 33.738 -14.875 640 HG SER 80 HG SER 80 -6.097 32.143 -16.346 641 H SER 81 H SER 81 -5.725 35.367 -12.919 642 HA SER 81 HA SER 81 -6.854 34.420 -10.370 643 HB2 SER 81 1HB SER 81 -4.756 36.467 -11.026 644 HB3 SER 81 2HB SER 81 -5.646 36.565 -9.506 645 HG SER 81 HG SER 81 -4.325 34.213 -10.367 646 H GLY 82 H GLY 82 -6.784 37.185 -12.596 647 HA2 GLY 82 1HA GLY 82 -9.553 37.715 -12.253 648 HA3 GLY 82 2HA GLY 82 -8.598 38.845 -11.306 Start of MODEL 13 1 H1 GLY 1 H GLY 1 19.002 -9.235 -17.223 2 HA2 GLY 1 1HA GLY 1 18.790 -7.047 -16.140 3 HA3 GLY 1 2HA GLY 1 17.835 -6.538 -17.525 4 H SER 2 H SER 2 16.399 -5.901 -15.659 5 HA SER 2 HA SER 2 14.976 -8.051 -14.355 6 HB2 SER 2 1HB SER 2 15.421 -5.915 -13.185 7 HB3 SER 2 2HB SER 2 14.406 -5.076 -14.358 8 HG SER 2 HG SER 2 13.557 -6.012 -12.168 9 H SER 3 H SER 3 12.525 -7.983 -14.381 10 HA SER 3 HA SER 3 11.657 -7.918 -17.177 11 HB2 SER 3 1HB SER 3 10.502 -9.270 -14.732 12 HB3 SER 3 2HB SER 3 9.707 -9.262 -16.306 13 HG SER 3 HG SER 3 11.449 -10.384 -17.158 14 H GLY 4 H GLY 4 10.382 -7.042 -13.960 15 HA2 GLY 4 1HA GLY 4 8.438 -5.263 -15.210 16 HA3 GLY 4 2HA GLY 4 8.531 -5.672 -13.503 17 H SER 5 H SER 5 8.148 -3.062 -14.431 18 HA SER 5 HA SER 5 10.746 -1.759 -14.039 19 HB2 SER 5 1HB SER 5 8.150 -0.906 -15.262 20 HB3 SER 5 2HB SER 5 9.235 0.325 -14.615 21 HG SER 5 HG SER 5 10.517 0.029 -16.252 22 H SER 6 H SER 6 11.055 -0.174 -12.457 23 HA SER 6 HA SER 6 9.833 -0.666 -9.973 24 HB2 SER 6 1HB SER 6 11.180 1.119 -9.119 25 HB3 SER 6 2HB SER 6 12.137 0.307 -10.358 26 HG SER 6 HG SER 6 10.838 2.804 -10.467 27 H GLY 7 H GLY 7 8.792 1.073 -8.618 28 HA2 GLY 7 1HA GLY 7 7.098 2.581 -8.241 29 HA3 GLY 7 2HA GLY 7 7.374 3.196 -9.864 30 H ILE 8 H ILE 8 4.907 3.357 -9.453 31 HA ILE 8 HA ILE 8 3.684 0.938 -10.603 32 HB ILE 8 HB ILE 8 2.131 2.749 -8.787 33 HG12 ILE 8 1HG1 ILE 8 3.602 0.275 -7.867 34 HG13 ILE 8 2HG1 ILE 8 4.204 1.909 -7.611 35 HG21 ILE 8 1HG2 ILE 8 0.500 1.218 -8.967 36 HG22 ILE 8 2HG2 ILE 8 1.386 0.692 -10.397 37 HG23 ILE 8 3HG2 ILE 8 1.624 -0.137 -8.859 38 HD11 ILE 8 3HD1 ILE 8 2.883 0.704 -5.738 39 HD12 ILE 8 1HD1 ILE 8 2.571 2.408 -6.070 40 HD13 ILE 8 2HD1 ILE 8 1.469 1.174 -6.681 41 H ARG 9 H ARG 9 2.271 1.240 -12.260 42 HA ARG 9 HA ARG 9 2.407 3.575 -13.785 43 HB2 ARG 9 1HB ARG 9 0.406 1.314 -13.819 44 HB3 ARG 9 2HB ARG 9 0.439 2.595 -15.023 45 HG2 ARG 9 1HG ARG 9 1.653 0.991 -16.094 46 HG3 ARG 9 2HG ARG 9 2.947 1.864 -15.270 47 HD2 ARG 9 1HD ARG 9 3.297 0.185 -13.749 48 HD3 ARG 9 2HD ARG 9 1.637 -0.398 -13.851 49 HE ARG 9 HE ARG 9 3.834 -1.371 -15.313 50 HH11 ARG 9 1HH1 ARG 9 0.481 -0.532 -15.724 51 HH12 ARG 9 2HH1 ARG 9 0.223 -1.656 -17.017 52 HH21 ARG 9 1HH2 ARG 9 3.508 -2.854 -17.015 53 HH22 ARG 9 2HH2 ARG 9 1.946 -2.977 -17.750 54 H ARG 10 H ARG 10 -0.267 2.373 -11.761 55 HA ARG 10 HA ARG 10 -1.436 5.072 -11.833 56 HB2 ARG 10 1HB ARG 10 -2.793 2.513 -10.979 57 HB3 ARG 10 2HB ARG 10 -3.551 4.070 -11.286 58 HG2 ARG 10 1HG ARG 10 -2.438 2.101 -13.243 59 HG3 ARG 10 2HG ARG 10 -4.045 2.828 -13.182 60 HD2 ARG 10 1HD ARG 10 -1.526 4.384 -13.733 61 HD3 ARG 10 2HD ARG 10 -2.543 3.695 -14.998 62 HE ARG 10 HE ARG 10 -3.015 6.096 -13.578 63 HH11 ARG 10 1HH1 ARG 10 -4.660 3.332 -14.910 64 HH12 ARG 10 2HH1 ARG 10 -6.153 4.177 -15.158 65 HH21 ARG 10 1HH2 ARG 10 -4.974 7.219 -13.900 66 HH22 ARG 10 2HH2 ARG 10 -6.330 6.388 -14.584 67 HA PRO 11 HA PRO 11 -0.542 5.728 -7.584 68 HB2 PRO 11 1HB PRO 11 -2.636 7.300 -6.868 69 HB3 PRO 11 2HB PRO 11 -1.310 7.872 -7.887 70 HG2 PRO 11 1HG PRO 11 -4.036 6.923 -8.681 71 HG3 PRO 11 2HG PRO 11 -3.115 8.313 -9.285 72 HD2 PRO 11 1HD PRO 11 -3.268 5.971 -10.634 73 HD3 PRO 11 2HD PRO 11 -1.832 7.013 -10.691 74 H MET 12 H MET 12 -1.702 5.723 -5.366 75 HA MET 12 HA MET 12 -3.829 3.714 -5.255 76 HB2 MET 12 1HB MET 12 -1.615 3.449 -3.282 77 HB3 MET 12 2HB MET 12 -2.688 2.219 -3.936 78 HG2 MET 12 1HG MET 12 -1.403 2.663 -6.152 79 HG3 MET 12 2HG MET 12 -0.181 3.349 -5.084 80 HE1 MET 12 3HE MET 12 0.376 0.467 -2.606 81 HE2 MET 12 1HE MET 12 1.590 1.366 -3.517 82 HE3 MET 12 2HE MET 12 0.197 2.207 -2.836 83 H ASN 13 H ASN 13 -4.808 3.560 -3.068 84 HA ASN 13 HA ASN 13 -4.828 6.213 -1.801 85 HB2 ASN 13 1HB ASN 13 -7.076 5.894 -1.258 86 HB3 ASN 13 2HB ASN 13 -6.949 5.134 -2.841 87 HD21 ASN 13 1HD2 ASN 13 -6.395 2.753 -2.748 88 HD22 ASN 13 2HD2 ASN 13 -7.230 1.817 -1.560 89 H ALA 14 H ALA 14 -5.897 5.782 0.597 90 HA ALA 14 HA ALA 14 -3.784 4.908 2.181 91 HB1 ALA 14 3HB ALA 14 -6.614 5.622 2.660 92 HB2 ALA 14 1HB ALA 14 -5.800 4.696 3.922 93 HB3 ALA 14 2HB ALA 14 -5.142 6.248 3.402 94 H PHE 15 H PHE 15 -6.739 3.204 1.214 95 HA PHE 15 HA PHE 15 -6.318 0.879 2.735 96 HB2 PHE 15 1HB PHE 15 -8.485 1.118 1.883 97 HB3 PHE 15 2HB PHE 15 -7.909 1.481 0.260 98 HD1 PHE 15 2HD PHE 15 -7.115 -0.318 -1.206 99 HD2 PHE 15 1HD PHE 15 -8.789 -1.127 2.623 100 HE1 PHE 15 2HE PHE 15 -7.424 -2.674 -1.843 101 HE2 PHE 15 1HE PHE 15 -9.099 -3.485 1.993 102 HZ PHE 15 HZ PHE 15 -8.418 -4.261 -0.243 103 H MET 16 H MET 16 -5.614 1.518 -0.701 104 HA MET 16 HA MET 16 -4.435 -0.913 -1.324 105 HB2 MET 16 1HB MET 16 -4.005 1.866 -2.393 106 HB3 MET 16 2HB MET 16 -3.121 0.490 -3.038 107 HG2 MET 16 1HG MET 16 -5.307 -0.598 -3.523 108 HG3 MET 16 2HG MET 16 -6.099 0.898 -3.035 109 HE1 MET 16 3HE MET 16 -3.994 -0.329 -6.722 110 HE2 MET 16 1HE MET 16 -2.778 0.596 -5.841 111 HE3 MET 16 2HE MET 16 -3.567 -0.780 -5.071 112 H VAL 17 H VAL 17 -2.716 2.099 -0.469 113 HA VAL 17 HA VAL 17 -0.151 1.216 -0.357 114 HB VAL 17 HB VAL 17 -1.371 3.016 1.738 115 HG11 VAL 17 1HG1 VAL 17 1.430 3.038 0.639 116 HG12 VAL 17 2HG1 VAL 17 0.804 3.909 2.040 117 HG13 VAL 17 3HG1 VAL 17 0.972 2.154 2.094 118 HG21 VAL 17 3HG2 VAL 17 -0.063 4.441 -0.360 119 HG22 VAL 17 1HG2 VAL 17 -1.274 3.367 -1.062 120 HG23 VAL 17 2HG2 VAL 17 -1.743 4.542 0.167 121 H TRP 18 H TRP 18 -2.055 1.456 2.645 122 HA TRP 18 HA TRP 18 -0.491 0.009 4.317 123 HB2 TRP 18 1HB TRP 18 -2.340 0.898 5.376 124 HB3 TRP 18 2HB TRP 18 -3.453 0.343 4.128 125 HD1 TRP 18 HD TRP 18 -1.698 -0.834 7.315 126 HE1 TRP 18 1HE TRP 18 -2.840 -2.991 8.136 127 HE3 TRP 18 3HE TRP 18 -4.784 -1.686 3.329 128 HZ2 TRP 18 2HZ TRP 18 -4.789 -4.812 7.214 129 HZ3 TRP 18 3HZ TRP 18 -6.255 -3.657 3.377 130 HH2 TRP 18 HH TRP 18 -6.256 -5.187 5.280 131 H ALA 19 H ALA 19 -2.754 -1.294 1.942 132 HA ALA 19 HA ALA 19 -2.512 -4.007 2.708 133 HB1 ALA 19 3HB ALA 19 -3.266 -4.323 0.218 134 HB2 ALA 19 1HB ALA 19 -4.373 -3.649 1.416 135 HB3 ALA 19 2HB ALA 19 -3.527 -2.580 0.296 136 H LYS 20 H LYS 20 -0.680 -1.947 0.532 137 HA LYS 20 HA LYS 20 0.730 -3.577 -1.057 138 HB2 LYS 20 1HB LYS 20 2.468 -2.011 -1.083 139 HB3 LYS 20 2HB LYS 20 1.068 -1.068 -0.591 140 HG2 LYS 20 1HG LYS 20 1.894 -1.627 1.819 141 HG3 LYS 20 2HG LYS 20 3.432 -1.926 1.007 142 HD2 LYS 20 1HD LYS 20 1.824 0.626 0.949 143 HD3 LYS 20 2HD LYS 20 3.358 0.362 1.781 144 HE2 LYS 20 1HE LYS 20 4.047 1.418 -0.149 145 HE3 LYS 20 2HE LYS 20 4.218 -0.280 -0.591 146 HZ1 LYS 20 3HZ LYS 20 3.079 1.228 -2.251 147 HZ2 LYS 20 1HZ LYS 20 1.760 1.253 -1.191 148 HZ3 LYS 20 2HZ LYS 20 2.274 -0.210 -1.866 149 H ASP 21 H ASP 21 1.095 -3.359 2.427 150 HA ASP 21 HA ASP 21 3.280 -5.294 2.394 151 HB2 ASP 21 1HB ASP 21 3.286 -3.247 3.894 152 HB3 ASP 21 2HB ASP 21 2.001 -4.023 4.815 153 H GLU 22 H GLU 22 -0.016 -4.955 3.661 154 HA GLU 22 HA GLU 22 -0.187 -7.466 4.898 155 HB2 GLU 22 1HB GLU 22 -2.424 -5.875 3.631 156 HB3 GLU 22 2HB GLU 22 -2.607 -7.152 4.824 157 HG2 GLU 22 1HG GLU 22 -1.712 -4.350 5.163 158 HG3 GLU 22 2HG GLU 22 -2.770 -5.334 6.173 159 H ARG 23 H ARG 23 -1.488 -6.470 1.726 160 HA ARG 23 HA ARG 23 -2.500 -8.756 0.750 161 HB2 ARG 23 1HB ARG 23 -2.182 -6.533 -0.455 162 HB3 ARG 23 2HB ARG 23 -0.590 -7.123 -0.914 163 HG2 ARG 23 1HG ARG 23 -1.765 -9.117 -1.928 164 HG3 ARG 23 2HG ARG 23 -3.271 -8.228 -1.692 165 HD2 ARG 23 1HD ARG 23 -2.583 -6.495 -3.151 166 HD3 ARG 23 2HD ARG 23 -0.920 -7.080 -3.174 167 HE ARG 23 HE ARG 23 -2.268 -9.159 -4.208 168 HH11 ARG 23 1HH1 ARG 23 -2.318 -5.753 -4.923 169 HH12 ARG 23 2HH1 ARG 23 -2.716 -5.977 -6.595 170 HH21 ARG 23 1HH2 ARG 23 -2.791 -9.468 -6.406 171 HH22 ARG 23 2HH2 ARG 23 -2.986 -8.090 -7.437 172 H LYS 24 H LYS 24 0.967 -7.965 0.716 173 HA LYS 24 HA LYS 24 2.008 -10.128 -0.578 174 HB2 LYS 24 1HB LYS 24 3.072 -8.742 1.886 175 HB3 LYS 24 2HB LYS 24 4.005 -9.882 0.926 176 HG2 LYS 24 1HG LYS 24 3.303 -8.237 -1.028 177 HG3 LYS 24 2HG LYS 24 3.196 -7.098 0.317 178 HD2 LYS 24 1HD LYS 24 5.443 -7.168 0.732 179 HD3 LYS 24 2HD LYS 24 5.611 -8.823 0.141 180 HE2 LYS 24 1HE LYS 24 5.748 -8.159 -2.067 181 HE3 LYS 24 2HE LYS 24 4.910 -6.637 -1.769 182 HZ1 LYS 24 3HZ LYS 24 7.696 -7.183 -1.736 183 HZ2 LYS 24 1HZ LYS 24 7.206 -6.525 -0.256 184 HZ3 LYS 24 2HZ LYS 24 6.899 -5.692 -1.695 185 H ARG 25 H ARG 25 1.110 -9.971 2.855 186 HA ARG 25 HA ARG 25 1.888 -12.602 3.500 187 HB2 ARG 25 1HB ARG 25 1.000 -12.199 5.577 188 HB3 ARG 25 2HB ARG 25 1.188 -10.547 5.004 189 HG2 ARG 25 1HG ARG 25 -1.277 -10.964 4.129 190 HG3 ARG 25 2HG ARG 25 -1.272 -12.136 5.449 191 HD2 ARG 25 1HD ARG 25 -0.463 -9.253 5.771 192 HD3 ARG 25 2HD ARG 25 -2.101 -9.842 6.051 193 HE ARG 25 HE ARG 25 0.169 -10.158 7.776 194 HH11 ARG 25 1HH1 ARG 25 -2.898 -11.506 6.831 195 HH12 ARG 25 2HH1 ARG 25 -3.153 -12.319 8.340 196 HH21 ARG 25 1HH2 ARG 25 -0.155 -11.223 9.766 197 HH22 ARG 25 2HH2 ARG 25 -1.592 -12.156 10.009 198 H LEU 26 H LEU 26 -0.970 -11.288 2.014 199 HA LEU 26 HA LEU 26 -2.654 -13.543 2.433 200 HB2 LEU 26 1HB LEU 26 -2.830 -11.469 0.255 201 HB3 LEU 26 2HB LEU 26 -4.123 -12.528 0.813 202 HG LEU 26 HG LEU 26 -2.890 -10.201 2.276 203 HD11 LEU 26 1HD1 LEU 26 -5.509 -10.754 0.957 204 HD12 LEU 26 2HD1 LEU 26 -4.490 -9.318 0.877 205 HD13 LEU 26 3HD1 LEU 26 -5.435 -9.649 2.329 206 HD21 LEU 26 3HD2 LEU 26 -3.246 -12.044 3.841 207 HD22 LEU 26 1HD2 LEU 26 -4.912 -12.201 3.283 208 HD23 LEU 26 2HD2 LEU 26 -4.398 -10.736 4.120 209 H ALA 27 H ALA 27 -0.603 -12.482 -0.256 210 HA ALA 27 HA ALA 27 -1.261 -14.446 -2.110 211 HB1 ALA 27 3HB ALA 27 1.076 -12.684 -1.662 212 HB2 ALA 27 1HB ALA 27 1.301 -14.064 -2.738 213 HB3 ALA 27 2HB ALA 27 0.049 -12.870 -3.084 214 H GLN 28 H GLN 28 1.356 -14.476 0.308 215 HA GLN 28 HA GLN 28 2.262 -17.079 -0.297 216 HB2 GLN 28 1HB GLN 28 3.416 -16.958 1.886 217 HB3 GLN 28 2HB GLN 28 3.671 -15.519 0.908 218 HG2 GLN 28 1HG GLN 28 2.366 -14.195 2.271 219 HG3 GLN 28 2HG GLN 28 1.483 -15.569 2.934 220 HE21 GLN 28 1HE2 GLN 28 2.027 -14.327 4.933 221 HE22 GLN 28 2HE2 GLN 28 3.517 -14.708 5.721 222 H GLN 29 H GLN 29 -0.224 -15.861 1.854 223 HA GLN 29 HA GLN 29 -0.637 -18.341 3.218 224 HB2 GLN 29 1HB GLN 29 -1.965 -15.684 3.143 225 HB3 GLN 29 2HB GLN 29 -2.934 -17.048 3.683 226 HG2 GLN 29 1HG GLN 29 -0.820 -17.495 5.198 227 HG3 GLN 29 2HG GLN 29 -0.582 -15.765 4.954 228 HE21 GLN 29 1HE2 GLN 29 -1.249 -14.747 6.700 229 HE22 GLN 29 2HE2 GLN 29 -2.726 -15.038 7.547 230 H ASN 30 H ASN 30 -1.906 -16.837 0.335 231 HA ASN 30 HA ASN 30 -3.431 -19.288 -0.206 232 HB2 ASN 30 1HB ASN 30 -4.417 -16.467 -0.686 233 HB3 ASN 30 2HB ASN 30 -5.242 -17.933 -1.208 234 HD21 ASN 30 1HD2 ASN 30 -5.188 -15.616 1.090 235 HD22 ASN 30 2HD2 ASN 30 -5.944 -16.466 2.390 236 HA PRO 31 HA PRO 31 -0.595 -18.364 -3.711 237 HB2 PRO 31 1HB PRO 31 -0.021 -20.971 -4.207 238 HB3 PRO 31 2HB PRO 31 0.837 -20.012 -2.995 239 HG2 PRO 31 1HG PRO 31 -1.395 -21.973 -2.626 240 HG3 PRO 31 2HG PRO 31 0.081 -21.763 -1.665 241 HD2 PRO 31 1HD PRO 31 -2.319 -20.780 -0.884 242 HD3 PRO 31 2HD PRO 31 -0.785 -19.976 -0.496 243 H ASP 32 H ASP 32 -3.590 -19.830 -3.305 244 HA ASP 32 HA ASP 32 -3.876 -20.356 -6.186 245 HB2 ASP 32 1HB ASP 32 -4.430 -22.122 -4.325 246 HB3 ASP 32 2HB ASP 32 -5.921 -21.197 -4.165 247 H LEU 33 H LEU 33 -4.782 -18.258 -3.651 248 HA LEU 33 HA LEU 33 -7.189 -17.298 -4.947 249 HB2 LEU 33 1HB LEU 33 -5.691 -16.462 -2.478 250 HB3 LEU 33 2HB LEU 33 -7.086 -15.574 -3.088 251 HG LEU 33 HG LEU 33 -7.018 -18.376 -1.987 252 HD11 LEU 33 1HD1 LEU 33 -7.117 -16.347 -0.464 253 HD12 LEU 33 2HD1 LEU 33 -8.394 -17.547 -0.273 254 HD13 LEU 33 3HD1 LEU 33 -8.717 -16.047 -1.143 255 HD21 LEU 33 3HD2 LEU 33 -9.646 -17.819 -2.449 256 HD22 LEU 33 1HD2 LEU 33 -8.631 -18.833 -3.473 257 HD23 LEU 33 2HD2 LEU 33 -8.874 -17.134 -3.880 258 H HIS 34 H HIS 34 -7.466 -15.049 -5.557 259 HA HIS 34 HA HIS 34 -4.959 -13.804 -6.481 260 HB2 HIS 34 1HB HIS 34 -6.187 -12.987 -8.453 261 HB3 HIS 34 2HB HIS 34 -6.183 -14.747 -8.375 262 HD1 HIS 34 1HD HIS 34 -8.422 -11.836 -8.496 263 HD2 HIS 34 2HD HIS 34 -8.714 -15.882 -7.595 264 HE1 HIS 34 1HE HIS 34 -10.881 -12.361 -8.547 265 HE2 HIS 34 2HE HIS 34 -11.039 -14.794 -7.916 266 H ASN 35 H ASN 35 -5.383 -11.411 -7.088 267 HA ASN 35 HA ASN 35 -5.678 -9.831 -4.978 268 HB2 ASN 35 1HB ASN 35 -6.979 -8.234 -6.742 269 HB3 ASN 35 2HB ASN 35 -5.238 -8.500 -6.762 270 HD21 ASN 35 1HD2 ASN 35 -4.338 -9.387 -8.507 271 HD22 ASN 35 2HD2 ASN 35 -5.208 -10.029 -9.854 272 H ALA 36 H ALA 36 -8.512 -10.088 -7.117 273 HA ALA 36 HA ALA 36 -10.458 -9.058 -5.603 274 HB1 ALA 36 3HB ALA 36 -10.455 -10.565 -7.849 275 HB2 ALA 36 1HB ALA 36 -11.261 -11.655 -6.722 276 HB3 ALA 36 2HB ALA 36 -11.914 -10.041 -7.008 277 H GLU 37 H GLU 37 -9.089 -12.286 -5.149 278 HA GLU 37 HA GLU 37 -10.866 -12.967 -3.006 279 HB2 GLU 37 1HB GLU 37 -8.314 -14.214 -4.025 280 HB3 GLU 37 2HB GLU 37 -9.221 -14.867 -2.669 281 HG2 GLU 37 1HG GLU 37 -10.673 -14.371 -5.208 282 HG3 GLU 37 2HG GLU 37 -9.566 -15.740 -5.132 283 H LEU 38 H LEU 38 -7.559 -11.757 -3.257 284 HA LEU 38 HA LEU 38 -6.891 -11.950 -0.530 285 HB2 LEU 38 1HB LEU 38 -5.865 -9.859 -2.431 286 HB3 LEU 38 2HB LEU 38 -5.052 -10.530 -1.019 287 HG LEU 38 HG LEU 38 -5.539 -11.870 -3.672 288 HD11 LEU 38 1HD1 LEU 38 -2.869 -12.026 -2.738 289 HD12 LEU 38 2HD1 LEU 38 -3.400 -10.351 -2.587 290 HD13 LEU 38 3HD1 LEU 38 -3.494 -11.168 -4.147 291 HD21 LEU 38 3HD2 LEU 38 -4.749 -13.011 -1.019 292 HD22 LEU 38 1HD2 LEU 38 -4.168 -13.732 -2.520 293 HD23 LEU 38 2HD2 LEU 38 -5.901 -13.630 -2.203 294 H SER 39 H SER 39 -8.166 -9.229 -2.432 295 HA SER 39 HA SER 39 -8.213 -7.225 -0.598 296 HB2 SER 39 1HB SER 39 -9.245 -7.461 -3.051 297 HB3 SER 39 2HB SER 39 -10.740 -7.614 -2.128 298 HG SER 39 HG SER 39 -9.526 -5.402 -2.764 299 H LYS 40 H LYS 40 -10.819 -9.625 -0.999 300 HA LYS 40 HA LYS 40 -12.605 -8.956 0.876 301 HB2 LYS 40 1HB LYS 40 -11.462 -11.693 0.332 302 HB3 LYS 40 2HB LYS 40 -12.845 -11.439 1.389 303 HG2 LYS 40 1HG LYS 40 -12.964 -10.256 -1.325 304 HG3 LYS 40 2HG LYS 40 -13.109 -12.010 -1.184 305 HD2 LYS 40 1HD LYS 40 -14.874 -11.538 0.606 306 HD3 LYS 40 2HD LYS 40 -14.868 -9.880 0.001 307 HE2 LYS 40 1HE LYS 40 -15.810 -10.464 -2.004 308 HE3 LYS 40 2HE LYS 40 -15.156 -12.101 -1.958 309 HZ1 LYS 40 3HZ LYS 40 -17.069 -11.499 0.125 310 HZ2 LYS 40 1HZ LYS 40 -16.935 -12.867 -0.863 311 HZ3 LYS 40 2HZ LYS 40 -17.708 -11.478 -1.441 312 H MET 41 H MET 41 -9.365 -10.089 1.517 313 HA MET 41 HA MET 41 -9.865 -10.200 4.389 314 HB2 MET 41 1HB MET 41 -7.252 -10.689 2.963 315 HB3 MET 41 2HB MET 41 -7.693 -11.179 4.593 316 HG2 MET 41 1HG MET 41 -9.216 -12.809 3.781 317 HG3 MET 41 2HG MET 41 -9.076 -12.203 2.132 318 HE1 MET 41 3HE MET 41 -7.744 -14.808 0.824 319 HE2 MET 41 1HE MET 41 -8.090 -13.095 0.587 320 HE3 MET 41 2HE MET 41 -6.427 -13.679 0.502 321 H LEU 42 H LEU 42 -8.110 -8.304 2.002 322 HA LEU 42 HA LEU 42 -6.653 -6.699 3.808 323 HB2 LEU 42 1HB LEU 42 -7.592 -6.132 1.001 324 HB3 LEU 42 2HB LEU 42 -6.445 -5.134 1.893 325 HG LEU 42 HG LEU 42 -5.988 -8.015 1.122 326 HD11 LEU 42 1HD1 LEU 42 -5.960 -6.846 -0.901 327 HD12 LEU 42 2HD1 LEU 42 -4.267 -6.909 -0.410 328 HD13 LEU 42 3HD1 LEU 42 -5.198 -5.429 -0.178 329 HD21 LEU 42 3HD2 LEU 42 -3.668 -6.399 1.723 330 HD22 LEU 42 1HD2 LEU 42 -4.155 -7.961 2.380 331 HD23 LEU 42 2HD2 LEU 42 -4.779 -6.473 3.091 332 H GLY 43 H GLY 43 -9.948 -6.634 2.736 333 HA2 GLY 43 1HA GLY 43 -10.452 -3.905 3.484 334 HA3 GLY 43 2HA GLY 43 -11.658 -5.114 3.069 335 H LYS 44 H LYS 44 -11.532 -7.013 4.865 336 HA LYS 44 HA LYS 44 -12.793 -6.045 7.114 337 HB2 LYS 44 1HB LYS 44 -12.395 -8.237 8.127 338 HB3 LYS 44 2HB LYS 44 -12.860 -8.399 6.438 339 HG2 LYS 44 1HG LYS 44 -10.652 -8.924 5.781 340 HG3 LYS 44 2HG LYS 44 -9.996 -8.436 7.346 341 HD2 LYS 44 1HD LYS 44 -10.021 -10.739 7.536 342 HD3 LYS 44 2HD LYS 44 -11.562 -10.298 8.277 343 HE2 LYS 44 1HE LYS 44 -11.497 -10.842 5.352 344 HE3 LYS 44 2HE LYS 44 -11.389 -12.210 6.459 345 HZ1 LYS 44 3HZ LYS 44 -13.443 -11.397 7.524 346 HZ2 LYS 44 1HZ LYS 44 -13.670 -11.823 5.902 347 HZ3 LYS 44 2HZ LYS 44 -13.565 -10.193 6.342 348 H SER 45 H SER 45 -9.361 -6.510 6.545 349 HA SER 45 HA SER 45 -8.624 -5.975 9.277 350 HB2 SER 45 1HB SER 45 -7.097 -6.391 6.720 351 HB3 SER 45 2HB SER 45 -6.280 -5.797 8.166 352 HG SER 45 HG SER 45 -6.451 -8.201 7.732 353 H TRP 46 H TRP 46 -9.033 -4.151 6.341 354 HA TRP 46 HA TRP 46 -7.572 -1.848 7.115 355 HB2 TRP 46 1HB TRP 46 -8.140 -2.282 4.777 356 HB3 TRP 46 2HB TRP 46 -9.856 -2.135 5.150 357 HD1 TRP 46 HD TRP 46 -10.814 0.132 4.491 358 HE1 TRP 46 1HE TRP 46 -9.913 2.532 4.263 359 HE3 TRP 46 3HE TRP 46 -5.990 -0.668 5.980 360 HZ2 TRP 46 2HZ TRP 46 -7.479 3.905 4.662 361 HZ3 TRP 46 3HZ TRP 46 -4.438 1.241 6.029 362 HH2 TRP 46 HH TRP 46 -5.169 3.479 5.383 363 H LYS 47 H LYS 47 -11.109 -2.121 6.747 364 HA LYS 47 HA LYS 47 -11.877 0.134 8.063 365 HB2 LYS 47 1HB LYS 47 -13.123 -2.537 7.682 366 HB3 LYS 47 2HB LYS 47 -13.864 -1.473 8.870 367 HG2 LYS 47 1HG LYS 47 -14.522 0.057 7.295 368 HG3 LYS 47 2HG LYS 47 -13.251 -0.403 6.159 369 HD2 LYS 47 1HD LYS 47 -15.515 -2.248 6.877 370 HD3 LYS 47 2HD LYS 47 -15.633 -1.077 5.562 371 HE2 LYS 47 1HE LYS 47 -13.486 -3.183 5.790 372 HE3 LYS 47 2HE LYS 47 -14.954 -3.357 4.830 373 HZ1 LYS 47 3HZ LYS 47 -13.475 -0.938 4.303 374 HZ2 LYS 47 1HZ LYS 47 -14.146 -2.055 3.223 375 HZ3 LYS 47 2HZ LYS 47 -12.633 -2.354 3.916 376 H ALA 48 H ALA 48 -10.950 -2.946 9.512 377 HA ALA 48 HA ALA 48 -11.690 -2.455 12.151 378 HB1 ALA 48 3HB ALA 48 -9.782 -4.048 12.701 379 HB2 ALA 48 1HB ALA 48 -11.036 -4.646 11.614 380 HB3 ALA 48 2HB ALA 48 -9.485 -4.114 10.964 381 H LEU 49 H LEU 49 -8.833 -1.448 10.360 382 HA LEU 49 HA LEU 49 -7.279 -0.539 12.503 383 HB2 LEU 49 1HB LEU 49 -7.436 0.407 9.648 384 HB3 LEU 49 2HB LEU 49 -6.212 0.949 10.795 385 HG LEU 49 HG LEU 49 -6.574 -1.939 10.020 386 HD11 LEU 49 1HD1 LEU 49 -4.751 0.138 8.818 387 HD12 LEU 49 2HD1 LEU 49 -6.057 -0.725 8.005 388 HD13 LEU 49 3HD1 LEU 49 -4.623 -1.600 8.543 389 HD21 LEU 49 3HD2 LEU 49 -4.052 -1.780 10.741 390 HD22 LEU 49 1HD2 LEU 49 -5.330 -1.967 11.943 391 HD23 LEU 49 2HD2 LEU 49 -4.627 -0.377 11.645 392 H THR 50 H THR 50 -6.810 1.701 13.100 393 HA THR 50 HA THR 50 -9.273 3.311 13.151 394 HB THR 50 HB THR 50 -8.421 4.361 15.177 395 HG1 THR 50 1HG THR 50 -6.341 4.294 15.514 396 HG21 THR 50 3HG2 THR 50 -8.132 1.369 15.426 397 HG22 THR 50 1HG2 THR 50 -9.681 2.200 15.305 398 HG23 THR 50 2HG2 THR 50 -8.622 2.506 16.681 399 H LEU 51 H LEU 51 -8.793 5.732 13.455 400 HA LEU 51 HA LEU 51 -7.696 6.779 11.161 401 HB2 LEU 51 1HB LEU 51 -9.179 7.960 12.777 402 HB3 LEU 51 2HB LEU 51 -7.785 8.170 13.833 403 HG LEU 51 HG LEU 51 -8.578 10.104 12.260 404 HD11 LEU 51 1HD1 LEU 51 -5.643 9.486 12.274 405 HD12 LEU 51 2HD1 LEU 51 -6.511 9.911 13.749 406 HD13 LEU 51 3HD1 LEU 51 -6.447 11.051 12.405 407 HD21 LEU 51 3HD2 LEU 51 -6.674 8.727 10.392 408 HD22 LEU 51 1HD2 LEU 51 -7.701 10.129 10.089 409 HD23 LEU 51 2HD2 LEU 51 -8.421 8.527 10.257 410 H ALA 52 H ALA 52 -6.161 6.874 14.383 411 HA ALA 52 HA ALA 52 -3.720 7.916 13.684 412 HB1 ALA 52 3HB ALA 52 -2.880 7.095 15.710 413 HB2 ALA 52 1HB ALA 52 -4.609 7.297 15.997 414 HB3 ALA 52 2HB ALA 52 -3.947 5.691 15.687 415 H GLU 53 H GLU 53 -4.906 4.660 13.198 416 HA GLU 53 HA GLU 53 -2.355 3.554 12.499 417 HB2 GLU 53 1HB GLU 53 -5.190 2.582 12.323 418 HB3 GLU 53 2HB GLU 53 -3.889 1.688 11.551 419 HG2 GLU 53 1HG GLU 53 -3.842 2.429 14.459 420 HG3 GLU 53 2HG GLU 53 -4.564 0.936 13.862 421 H LYS 54 H LYS 54 -5.047 4.988 10.773 422 HA LYS 54 HA LYS 54 -3.933 4.318 8.180 423 HB2 LYS 54 1HB LYS 54 -6.293 6.089 8.838 424 HB3 LYS 54 2HB LYS 54 -5.886 5.428 7.260 425 HG2 LYS 54 1HG LYS 54 -6.480 3.253 7.892 426 HG3 LYS 54 2HG LYS 54 -6.468 3.658 9.610 427 HD2 LYS 54 1HD LYS 54 -8.730 3.623 9.154 428 HD3 LYS 54 2HD LYS 54 -8.352 5.334 8.939 429 HE2 LYS 54 1HE LYS 54 -8.021 4.795 6.479 430 HE3 LYS 54 2HE LYS 54 -8.767 3.235 6.824 431 HZ1 LYS 54 3HZ LYS 54 -10.780 4.258 7.402 432 HZ2 LYS 54 1HZ LYS 54 -10.283 5.053 5.994 433 HZ3 LYS 54 2HZ LYS 54 -10.085 5.798 7.500 434 H ARG 55 H ARG 55 -3.415 6.678 10.483 435 HA ARG 55 HA ARG 55 -3.166 9.045 9.057 436 HB2 ARG 55 1HB ARG 55 -2.757 8.373 11.621 437 HB3 ARG 55 2HB ARG 55 -1.083 8.454 11.088 438 HG2 ARG 55 1HG ARG 55 -1.441 10.593 11.839 439 HG3 ARG 55 2HG ARG 55 -1.783 10.761 10.116 440 HD2 ARG 55 1HD ARG 55 -4.222 10.275 10.765 441 HD3 ARG 55 2HD ARG 55 -3.706 10.625 12.414 442 HE ARG 55 HE ARG 55 -3.673 12.845 11.882 443 HH11 ARG 55 1HH1 ARG 55 -3.618 10.985 8.940 444 HH12 ARG 55 2HH1 ARG 55 -3.785 12.368 7.909 445 HH21 ARG 55 1HH2 ARG 55 -3.893 14.673 10.535 446 HH22 ARG 55 2HH2 ARG 55 -3.940 14.465 8.817 447 HA PRO 56 HA PRO 56 1.401 7.732 8.076 448 HB2 PRO 56 1HB PRO 56 1.960 5.084 8.291 449 HB3 PRO 56 2HB PRO 56 2.168 6.221 9.628 450 HG2 PRO 56 1HG PRO 56 -0.084 4.324 9.087 451 HG3 PRO 56 2HG PRO 56 0.730 4.686 10.620 452 HD2 PRO 56 1HD PRO 56 -1.664 5.761 9.951 453 HD3 PRO 56 2HD PRO 56 -0.474 6.625 10.945 454 H PHE 57 H PHE 57 -1.226 5.500 7.354 455 HA PHE 57 HA PHE 57 -0.157 4.958 4.699 456 HB2 PHE 57 1HB PHE 57 -2.747 3.973 5.904 457 HB3 PHE 57 2HB PHE 57 -1.919 3.330 4.490 458 HD1 PHE 57 1HD PHE 57 0.571 2.552 4.965 459 HD2 PHE 57 2HD PHE 57 -2.501 2.864 7.894 460 HE1 PHE 57 1HE PHE 57 1.779 0.957 6.396 461 HE2 PHE 57 2HE PHE 57 -1.297 1.270 9.331 462 HZ PHE 57 HZ PHE 57 0.846 0.315 8.583 463 H VAL 58 H VAL 58 -2.130 7.230 6.178 464 HA VAL 58 HA VAL 58 -3.788 7.705 3.822 465 HB VAL 58 HB VAL 58 -3.780 8.838 6.604 466 HG11 VAL 58 1HG1 VAL 58 -4.059 10.760 5.182 467 HG12 VAL 58 2HG1 VAL 58 -5.270 9.917 4.214 468 HG13 VAL 58 3HG1 VAL 58 -5.618 10.341 5.891 469 HG21 VAL 58 3HG2 VAL 58 -5.050 6.693 5.562 470 HG22 VAL 58 1HG2 VAL 58 -5.669 7.646 6.910 471 HG23 VAL 58 2HG2 VAL 58 -6.253 7.949 5.274 472 H GLU 59 H GLU 59 -1.172 9.192 5.655 473 HA GLU 59 HA GLU 59 -1.144 11.600 4.098 474 HB2 GLU 59 1HB GLU 59 1.000 10.480 5.911 475 HB3 GLU 59 2HB GLU 59 0.899 12.131 5.315 476 HG2 GLU 59 1HG GLU 59 -1.392 11.039 6.859 477 HG3 GLU 59 2HG GLU 59 0.077 11.485 7.724 478 H GLU 60 H GLU 60 -0.060 8.452 3.571 479 HA GLU 60 HA GLU 60 2.146 9.218 1.834 480 HB2 GLU 60 1HB GLU 60 2.668 7.274 3.012 481 HB3 GLU 60 2HB GLU 60 1.051 6.610 2.827 482 HG2 GLU 60 1HG GLU 60 1.464 5.805 0.732 483 HG3 GLU 60 2HG GLU 60 2.692 7.022 0.386 484 H ALA 61 H ALA 61 -0.818 7.262 1.477 485 HA ALA 61 HA ALA 61 -0.831 6.994 -1.261 486 HB1 ALA 61 3HB ALA 61 -3.515 7.447 -0.348 487 HB2 ALA 61 1HB ALA 61 -2.741 5.943 -0.847 488 HB3 ALA 61 2HB ALA 61 -2.623 6.483 0.828 489 H GLU 62 H GLU 62 -2.030 9.702 0.674 490 HA GLU 62 HA GLU 62 -3.290 11.165 -1.324 491 HB2 GLU 62 1HB GLU 62 -3.557 11.862 0.934 492 HB3 GLU 62 2HB GLU 62 -1.823 12.039 1.159 493 HG2 GLU 62 1HG GLU 62 -1.743 14.052 0.082 494 HG3 GLU 62 2HG GLU 62 -3.162 13.705 -0.904 495 H ARG 63 H ARG 63 0.119 10.945 -0.487 496 HA ARG 63 HA ARG 63 0.988 13.069 -2.162 497 HB2 ARG 63 1HB ARG 63 2.473 10.698 -1.019 498 HB3 ARG 63 2HB ARG 63 3.245 12.026 -1.875 499 HG2 ARG 63 1HG ARG 63 2.712 13.567 -0.179 500 HG3 ARG 63 2HG ARG 63 1.561 12.459 0.571 501 HD2 ARG 63 1HD ARG 63 3.361 12.210 1.970 502 HD3 ARG 63 2HD ARG 63 3.674 10.924 0.806 503 HE ARG 63 HE ARG 63 4.907 13.427 0.121 504 HH11 ARG 63 1HH1 ARG 63 5.238 10.476 1.937 505 HH12 ARG 63 2HH1 ARG 63 6.969 10.537 1.972 506 HH21 ARG 63 1HH2 ARG 63 7.186 13.520 0.160 507 HH22 ARG 63 2HH2 ARG 63 8.076 12.270 0.961 508 H LEU 64 H LEU 64 0.586 9.599 -2.617 509 HA LEU 64 HA LEU 64 1.854 9.450 -5.145 510 HB2 LEU 64 1HB LEU 64 -0.340 7.653 -4.142 511 HB3 LEU 64 2HB LEU 64 0.908 7.271 -5.327 512 HG LEU 64 HG LEU 64 1.385 7.755 -2.386 513 HD11 LEU 64 1HD1 LEU 64 0.532 5.684 -2.221 514 HD12 LEU 64 2HD1 LEU 64 2.098 5.189 -2.865 515 HD13 LEU 64 3HD1 LEU 64 0.714 5.357 -3.945 516 HD21 LEU 64 3HD2 LEU 64 3.432 8.249 -3.212 517 HD22 LEU 64 1HD2 LEU 64 3.150 7.392 -4.728 518 HD23 LEU 64 2HD2 LEU 64 3.577 6.492 -3.272 519 H ARG 65 H ARG 65 -1.493 9.974 -4.145 520 HA ARG 65 HA ARG 65 -2.659 9.848 -6.703 521 HB2 ARG 65 1HB ARG 65 -4.075 9.707 -4.783 522 HB3 ARG 65 2HB ARG 65 -3.505 11.254 -4.172 523 HG2 ARG 65 1HG ARG 65 -4.485 12.106 -6.481 524 HG3 ARG 65 2HG ARG 65 -5.483 10.662 -6.296 525 HD2 ARG 65 1HD ARG 65 -5.750 11.631 -3.839 526 HD3 ARG 65 2HD ARG 65 -5.401 13.146 -4.670 527 HE ARG 65 HE ARG 65 -7.364 11.869 -6.144 528 HH11 ARG 65 1HH1 ARG 65 -6.991 13.152 -2.929 529 HH12 ARG 65 2HH1 ARG 65 -8.669 13.541 -2.749 530 HH21 ARG 65 1HH2 ARG 65 -9.576 12.378 -5.919 531 HH22 ARG 65 2HH2 ARG 65 -10.139 13.100 -4.450 532 H VAL 66 H VAL 66 -1.770 12.705 -4.757 533 HA VAL 66 HA VAL 66 -2.338 14.654 -6.645 534 HB VAL 66 HB VAL 66 -0.672 16.074 -5.463 535 HG11 VAL 66 1HG1 VAL 66 -1.770 15.826 -3.174 536 HG12 VAL 66 2HG1 VAL 66 -2.836 16.111 -4.552 537 HG13 VAL 66 3HG1 VAL 66 -2.673 14.487 -3.882 538 HG21 VAL 66 3HG2 VAL 66 1.004 14.381 -4.983 539 HG22 VAL 66 1HG2 VAL 66 0.471 15.154 -3.490 540 HG23 VAL 66 2HG2 VAL 66 -0.119 13.546 -3.910 541 H GLN 67 H GLN 67 0.495 12.609 -6.313 542 HA GLN 67 HA GLN 67 2.098 14.021 -8.202 543 HB2 GLN 67 1HB GLN 67 2.267 11.298 -6.940 544 HB3 GLN 67 2HB GLN 67 3.388 11.784 -8.205 545 HG2 GLN 67 1HG GLN 67 4.311 13.489 -6.886 546 HG3 GLN 67 2HG GLN 67 2.981 13.425 -5.730 547 HE21 GLN 67 1HE2 GLN 67 4.376 13.133 -3.997 548 HE22 GLN 67 2HE2 GLN 67 5.196 11.639 -3.715 549 H HIS 68 H HIS 68 -0.558 11.954 -8.509 550 HA HIS 68 HA HIS 68 0.191 11.049 -11.184 551 HB2 HIS 68 1HB HIS 68 -0.794 9.291 -9.989 552 HB3 HIS 68 2HB HIS 68 -2.022 10.336 -9.281 553 HD1 HIS 68 1HD HIS 68 -1.237 8.368 -12.353 554 HD2 HIS 68 2HD HIS 68 -4.278 10.790 -10.887 555 HE1 HIS 68 1HE HIS 68 -3.184 8.016 -13.905 556 HE2 HIS 68 2HE HIS 68 -4.983 9.556 -13.048 557 H MET 69 H MET 69 -2.278 12.997 -9.554 558 HA MET 69 HA MET 69 -3.655 13.685 -11.955 559 HB2 MET 69 1HB MET 69 -4.497 15.596 -10.324 560 HB3 MET 69 2HB MET 69 -5.060 13.938 -10.165 561 HG2 MET 69 1HG MET 69 -3.909 13.579 -8.237 562 HG3 MET 69 2HG MET 69 -2.635 14.722 -8.655 563 HE1 MET 69 3HE MET 69 -6.757 15.650 -6.925 564 HE2 MET 69 1HE MET 69 -6.271 14.251 -7.882 565 HE3 MET 69 2HE MET 69 -5.764 14.386 -6.199 566 H GLN 70 H GLN 70 -0.923 14.967 -10.242 567 HA GLN 70 HA GLN 70 -0.939 17.574 -11.347 568 HB2 GLN 70 1HB GLN 70 1.297 17.778 -10.504 569 HB3 GLN 70 2HB GLN 70 0.355 16.873 -9.326 570 HG2 GLN 70 1HG GLN 70 1.355 14.819 -9.986 571 HG3 GLN 70 2HG GLN 70 2.132 15.578 -11.374 572 HE21 GLN 70 1HE2 GLN 70 4.197 15.984 -11.117 573 HE22 GLN 70 2HE2 GLN 70 4.999 16.306 -9.622 574 H ASP 71 H ASP 71 0.438 14.512 -12.396 575 HA ASP 71 HA ASP 71 2.061 15.477 -14.470 576 HB2 ASP 71 1HB ASP 71 0.647 12.830 -14.119 577 HB3 ASP 71 2HB ASP 71 1.784 13.154 -15.425 578 H HIS 72 H HIS 72 -1.372 14.990 -14.258 579 HA HIS 72 HA HIS 72 -1.687 16.202 -16.892 580 HB2 HIS 72 1HB HIS 72 -3.553 14.472 -17.337 581 HB3 HIS 72 2HB HIS 72 -1.882 13.976 -17.591 582 HD1 HIS 72 1HD HIS 72 -4.850 13.349 -15.433 583 HD2 HIS 72 2HD HIS 72 -0.905 12.084 -15.744 584 HE1 HIS 72 1HE HIS 72 -4.676 11.321 -13.956 585 HE2 HIS 72 2HE HIS 72 -2.260 10.624 -14.094 586 HA PRO 73 HA PRO 73 -4.621 18.407 -14.364 587 HB2 PRO 73 1HB PRO 73 -5.409 20.133 -16.305 588 HB3 PRO 73 2HB PRO 73 -3.882 20.303 -15.430 589 HG2 PRO 73 1HG PRO 73 -4.394 19.137 -18.139 590 HG3 PRO 73 2HG PRO 73 -3.090 20.219 -17.615 591 HD2 PRO 73 1HD PRO 73 -2.740 17.549 -17.903 592 HD3 PRO 73 2HD PRO 73 -1.868 18.501 -16.684 593 H ASN 74 H ASN 74 -5.191 16.237 -16.807 594 HA ASN 74 HA ASN 74 -7.690 16.591 -17.798 595 HB2 ASN 74 1HB ASN 74 -6.194 14.168 -16.912 596 HB3 ASN 74 2HB ASN 74 -7.897 13.982 -17.320 597 HD21 ASN 74 1HD2 ASN 74 -4.932 15.462 -18.580 598 HD22 ASN 74 2HD2 ASN 74 -5.233 15.062 -20.234 599 H TYR 75 H TYR 75 -6.888 15.439 -14.548 600 HA TYR 75 HA TYR 75 -9.427 14.790 -13.647 601 HB2 TYR 75 1HB TYR 75 -8.563 14.936 -11.445 602 HB3 TYR 75 2HB TYR 75 -7.204 14.456 -12.455 603 HD1 TYR 75 2HD TYR 75 -5.609 16.319 -13.236 604 HD2 TYR 75 1HD TYR 75 -8.396 16.807 -10.059 605 HE1 TYR 75 2HE TYR 75 -4.303 18.224 -12.391 606 HE2 TYR 75 1HE TYR 75 -7.099 18.714 -9.206 607 HH TYR 75 HH TYR 75 -5.174 19.857 -9.378 608 H LYS 76 H LYS 76 -10.791 15.988 -12.100 609 HA LYS 76 HA LYS 76 -11.566 18.499 -13.180 610 HB2 LYS 76 1HB LYS 76 -13.262 18.515 -11.431 611 HB3 LYS 76 2HB LYS 76 -13.175 16.926 -12.181 612 HG2 LYS 76 1HG LYS 76 -13.263 16.301 -10.003 613 HG3 LYS 76 2HG LYS 76 -11.514 16.469 -10.174 614 HD2 LYS 76 1HD LYS 76 -11.872 17.669 -8.249 615 HD3 LYS 76 2HD LYS 76 -12.001 18.948 -9.458 616 HE2 LYS 76 1HE LYS 76 -13.827 19.231 -7.974 617 HE3 LYS 76 2HE LYS 76 -14.486 18.541 -9.457 618 HZ1 LYS 76 3HZ LYS 76 -13.695 16.541 -7.569 619 HZ2 LYS 76 1HZ LYS 76 -15.168 16.737 -8.377 620 HZ3 LYS 76 2HZ LYS 76 -14.872 17.581 -6.941 621 H SER 77 H SER 77 -12.046 20.361 -11.548 622 HA SER 77 HA SER 77 -9.864 20.737 -9.644 623 HB2 SER 77 1HB SER 77 -9.064 22.750 -10.600 624 HB3 SER 77 2HB SER 77 -9.202 21.628 -11.953 625 HG SER 77 HG SER 77 -10.114 23.858 -12.173 626 H GLY 78 H GLY 78 -10.284 22.272 -8.036 627 HA2 GLY 78 1HA GLY 78 -12.924 23.563 -8.099 628 HA3 GLY 78 2HA GLY 78 -12.521 22.515 -6.747 629 HA PRO 79 HA PRO 79 -11.313 26.861 -5.654 630 HB2 PRO 79 1HB PRO 79 -12.458 26.813 -3.193 631 HB3 PRO 79 2HB PRO 79 -13.343 27.262 -4.656 632 HG2 PRO 79 1HG PRO 79 -13.292 24.647 -3.200 633 HG3 PRO 79 2HG PRO 79 -14.673 25.512 -3.898 634 HD2 PRO 79 1HD PRO 79 -13.483 23.422 -5.142 635 HD3 PRO 79 2HD PRO 79 -14.221 24.770 -6.032 636 H SER 80 H SER 80 -9.556 27.418 -4.446 637 HA SER 80 HA SER 80 -8.121 25.237 -3.152 638 HB2 SER 80 1HB SER 80 -6.240 26.917 -3.075 639 HB3 SER 80 2HB SER 80 -6.810 26.523 -4.697 640 HG SER 80 HG SER 80 -6.605 28.899 -3.659 641 H SER 81 H SER 81 -9.171 28.549 -2.394 642 HA SER 81 HA SER 81 -8.286 28.784 0.189 643 HB2 SER 81 1HB SER 81 -10.723 29.829 -1.213 644 HB3 SER 81 2HB SER 81 -10.509 30.133 0.511 645 HG SER 81 HG SER 81 -8.281 30.842 -0.262 646 H GLY 82 H GLY 82 -8.740 27.885 2.105 647 HA2 GLY 82 1HA GLY 82 -11.100 27.021 3.142 648 HA3 GLY 82 2HA GLY 82 -10.552 25.646 2.195 Start of MODEL 14 1 H1 GLY 1 H GLY 1 14.418 -8.627 -16.608 2 HA2 GLY 1 1HA GLY 1 13.539 -10.211 -15.011 3 HA3 GLY 1 2HA GLY 1 15.172 -10.430 -14.401 4 H SER 2 H SER 2 12.839 -7.774 -14.879 5 HA SER 2 HA SER 2 12.264 -6.008 -13.563 6 HB2 SER 2 1HB SER 2 12.727 -8.230 -11.631 7 HB3 SER 2 2HB SER 2 12.544 -6.602 -10.978 8 HG SER 2 HG SER 2 10.607 -8.137 -11.519 9 H SER 3 H SER 3 14.794 -5.826 -14.620 10 HA SER 3 HA SER 3 16.378 -4.665 -12.423 11 HB2 SER 3 1HB SER 3 17.357 -6.590 -13.820 12 HB3 SER 3 2HB SER 3 17.484 -5.412 -15.126 13 HG SER 3 HG SER 3 19.356 -5.713 -13.622 14 H GLY 4 H GLY 4 15.928 -2.550 -12.333 15 HA2 GLY 4 1HA GLY 4 16.850 -0.549 -13.725 16 HA3 GLY 4 2HA GLY 4 15.590 -1.058 -14.839 17 H SER 5 H SER 5 14.905 1.220 -14.445 18 HA SER 5 HA SER 5 13.057 1.292 -12.160 19 HB2 SER 5 1HB SER 5 15.224 2.739 -11.948 20 HB3 SER 5 2HB SER 5 14.408 3.806 -13.089 21 HG SER 5 HG SER 5 13.446 2.971 -10.553 22 H SER 6 H SER 6 11.036 1.914 -12.642 23 HA SER 6 HA SER 6 10.537 3.318 -15.165 24 HB2 SER 6 1HB SER 6 8.721 1.789 -15.751 25 HB3 SER 6 2HB SER 6 10.238 0.902 -15.603 26 HG SER 6 HG SER 6 9.022 -0.311 -14.358 27 H GLY 7 H GLY 7 8.299 4.180 -15.294 28 HA2 GLY 7 1HA GLY 7 7.655 5.625 -12.956 29 HA3 GLY 7 2HA GLY 7 6.669 5.532 -14.408 30 H ILE 8 H ILE 8 4.855 5.569 -12.914 31 HA ILE 8 HA ILE 8 4.342 2.912 -11.744 32 HB ILE 8 HB ILE 8 3.129 5.507 -10.795 33 HG12 ILE 8 1HG1 ILE 8 5.192 3.966 -9.258 34 HG13 ILE 8 2HG1 ILE 8 5.699 5.121 -10.485 35 HG21 ILE 8 1HG2 ILE 8 2.055 4.308 -9.172 36 HG22 ILE 8 2HG2 ILE 8 2.073 3.114 -10.469 37 HG23 ILE 8 3HG2 ILE 8 3.261 3.021 -9.169 38 HD11 ILE 8 3HD1 ILE 8 5.203 6.880 -9.201 39 HD12 ILE 8 1HD1 ILE 8 3.714 6.152 -8.600 40 HD13 ILE 8 2HD1 ILE 8 5.263 5.714 -7.880 41 H ARG 9 H ARG 9 2.513 1.877 -12.322 42 HA ARG 9 HA ARG 9 1.106 2.656 -14.620 43 HB2 ARG 9 1HB ARG 9 1.298 0.320 -13.917 44 HB3 ARG 9 2HB ARG 9 0.330 0.657 -12.488 45 HG2 ARG 9 1HG ARG 9 -1.087 -0.400 -14.060 46 HG3 ARG 9 2HG ARG 9 -1.541 1.306 -14.025 47 HD2 ARG 9 1HD ARG 9 -1.472 0.924 -16.287 48 HD3 ARG 9 2HD ARG 9 0.173 1.486 -15.995 49 HE ARG 9 HE ARG 9 -0.659 -1.215 -16.674 50 HH11 ARG 9 1HH1 ARG 9 1.887 0.913 -15.619 51 HH12 ARG 9 2HH1 ARG 9 3.159 -0.174 -16.069 52 HH21 ARG 9 1HH2 ARG 9 1.007 -2.654 -17.270 53 HH22 ARG 9 2HH2 ARG 9 2.657 -2.202 -17.009 54 H ARG 10 H ARG 10 0.036 2.594 -11.219 55 HA ARG 10 HA ARG 10 -1.601 4.937 -11.667 56 HB2 ARG 10 1HB ARG 10 -3.680 3.893 -10.896 57 HB3 ARG 10 2HB ARG 10 -3.107 3.151 -12.383 58 HG2 ARG 10 1HG ARG 10 -2.310 1.908 -9.808 59 HG3 ARG 10 2HG ARG 10 -3.977 1.713 -10.353 60 HD2 ARG 10 1HD ARG 10 -3.250 0.724 -12.414 61 HD3 ARG 10 2HD ARG 10 -1.564 1.080 -12.042 62 HE ARG 10 HE ARG 10 -3.130 -1.121 -11.058 63 HH11 ARG 10 1HH1 ARG 10 -0.369 0.919 -10.482 64 HH12 ARG 10 2HH1 ARG 10 0.446 -0.243 -9.488 65 HH21 ARG 10 1HH2 ARG 10 -2.067 -2.659 -9.751 66 HH22 ARG 10 2HH2 ARG 10 -0.520 -2.278 -9.074 67 HA PRO 11 HA PRO 11 -0.548 5.704 -7.473 68 HB2 PRO 11 1HB PRO 11 -2.610 7.305 -6.727 69 HB3 PRO 11 2HB PRO 11 -1.319 7.843 -7.808 70 HG2 PRO 11 1HG PRO 11 -4.075 6.885 -8.479 71 HG3 PRO 11 2HG PRO 11 -3.171 8.254 -9.153 72 HD2 PRO 11 1HD PRO 11 -3.381 5.876 -10.431 73 HD3 PRO 11 2HD PRO 11 -1.944 6.910 -10.567 74 H MET 12 H MET 12 -1.270 5.417 -5.253 75 HA MET 12 HA MET 12 -3.488 3.493 -5.007 76 HB2 MET 12 1HB MET 12 -1.220 3.404 -3.077 77 HB3 MET 12 2HB MET 12 -2.258 2.105 -3.649 78 HG2 MET 12 1HG MET 12 -1.062 2.449 -5.907 79 HG3 MET 12 2HG MET 12 0.144 3.311 -4.954 80 HE1 MET 12 3HE MET 12 0.511 0.602 -2.153 81 HE2 MET 12 1HE MET 12 1.871 1.437 -2.905 82 HE3 MET 12 2HE MET 12 0.394 2.323 -2.525 83 H ASN 13 H ASN 13 -4.681 3.538 -3.050 84 HA ASN 13 HA ASN 13 -4.639 6.167 -1.758 85 HB2 ASN 13 1HB ASN 13 -6.827 4.214 -1.239 86 HB3 ASN 13 2HB ASN 13 -6.903 5.964 -1.420 87 HD21 ASN 13 1HD2 ASN 13 -8.656 4.131 -2.638 88 HD22 ASN 13 2HD2 ASN 13 -8.449 4.250 -4.349 89 H ALA 14 H ALA 14 -5.807 5.778 0.607 90 HA ALA 14 HA ALA 14 -3.771 4.927 2.289 91 HB1 ALA 14 3HB ALA 14 -5.746 4.758 3.997 92 HB2 ALA 14 1HB ALA 14 -5.269 6.321 3.333 93 HB3 ALA 14 2HB ALA 14 -6.675 5.477 2.682 94 H PHE 15 H PHE 15 -6.696 3.186 1.274 95 HA PHE 15 HA PHE 15 -6.213 0.861 2.796 96 HB2 PHE 15 1HB PHE 15 -8.416 1.133 2.008 97 HB3 PHE 15 2HB PHE 15 -7.881 1.424 0.356 98 HD1 PHE 15 2HD PHE 15 -7.197 -0.429 -1.075 99 HD2 PHE 15 1HD PHE 15 -8.664 -1.090 2.866 100 HE1 PHE 15 2HE PHE 15 -7.542 -2.806 -1.605 101 HE2 PHE 15 1HE PHE 15 -9.011 -3.468 2.342 102 HZ PHE 15 HZ PHE 15 -8.451 -4.329 0.103 103 H MET 16 H MET 16 -5.583 1.579 -0.634 104 HA MET 16 HA MET 16 -4.427 -0.855 -1.331 105 HB2 MET 16 1HB MET 16 -3.892 1.925 -2.383 106 HB3 MET 16 2HB MET 16 -3.266 0.461 -3.131 107 HG2 MET 16 1HG MET 16 -5.497 -0.315 -3.589 108 HG3 MET 16 2HG MET 16 -6.186 1.054 -2.721 109 HE1 MET 16 3HE MET 16 -5.554 -0.039 -6.479 110 HE2 MET 16 1HE MET 16 -4.153 0.987 -6.789 111 HE3 MET 16 2HE MET 16 -4.095 -0.221 -5.504 112 H VAL 17 H VAL 17 -2.779 2.145 -0.326 113 HA VAL 17 HA VAL 17 -0.174 1.265 -0.349 114 HB VAL 17 HB VAL 17 -1.421 3.118 1.686 115 HG11 VAL 17 1HG1 VAL 17 1.457 3.020 0.815 116 HG12 VAL 17 2HG1 VAL 17 0.753 3.929 2.154 117 HG13 VAL 17 3HG1 VAL 17 0.855 2.170 2.238 118 HG21 VAL 17 3HG2 VAL 17 0.151 4.186 -0.565 119 HG22 VAL 17 1HG2 VAL 17 -1.410 3.481 -0.988 120 HG23 VAL 17 2HG2 VAL 17 -1.325 4.798 0.182 121 H TRP 18 H TRP 18 -2.082 1.474 2.657 122 HA TRP 18 HA TRP 18 -0.449 0.023 4.299 123 HB2 TRP 18 1HB TRP 18 -2.241 0.990 5.403 124 HB3 TRP 18 2HB TRP 18 -3.414 0.415 4.221 125 HD1 TRP 18 HD TRP 18 -1.606 -0.640 7.404 126 HE1 TRP 18 1HE TRP 18 -2.704 -2.782 8.314 127 HE3 TRP 18 3HE TRP 18 -4.698 -1.699 3.473 128 HZ2 TRP 18 2HZ TRP 18 -4.626 -4.672 7.476 129 HZ3 TRP 18 3HZ TRP 18 -6.134 -3.692 3.606 130 HH2 TRP 18 HH TRP 18 -6.097 -5.147 5.567 131 H ALA 19 H ALA 19 -2.666 -1.187 1.873 132 HA ALA 19 HA ALA 19 -2.497 -3.926 2.689 133 HB1 ALA 19 3HB ALA 19 -4.450 -3.394 1.524 134 HB2 ALA 19 1HB ALA 19 -3.571 -2.541 0.254 135 HB3 ALA 19 2HB ALA 19 -3.489 -4.300 0.356 136 H LYS 20 H LYS 20 -0.723 -1.849 0.510 137 HA LYS 20 HA LYS 20 0.543 -3.467 -1.226 138 HB2 LYS 20 1HB LYS 20 2.303 -1.934 -1.313 139 HB3 LYS 20 2HB LYS 20 0.963 -0.978 -0.692 140 HG2 LYS 20 1HG LYS 20 1.943 -1.663 1.633 141 HG3 LYS 20 2HG LYS 20 3.415 -1.936 0.698 142 HD2 LYS 20 1HD LYS 20 1.857 0.629 0.518 143 HD3 LYS 20 2HD LYS 20 3.105 0.373 1.740 144 HE2 LYS 20 1HE LYS 20 3.739 -0.179 -1.122 145 HE3 LYS 20 2HE LYS 20 3.678 1.493 -0.567 146 HZ1 LYS 20 3HZ LYS 20 5.706 -0.452 -0.167 147 HZ2 LYS 20 1HZ LYS 20 5.156 0.139 1.320 148 HZ3 LYS 20 2HZ LYS 20 5.742 1.210 0.149 149 H ASP 21 H ASP 21 1.147 -3.326 2.236 150 HA ASP 21 HA ASP 21 3.255 -5.333 2.021 151 HB2 ASP 21 1HB ASP 21 3.475 -3.338 3.544 152 HB3 ASP 21 2HB ASP 21 2.180 -4.023 4.523 153 H GLU 22 H GLU 22 0.053 -4.916 3.482 154 HA GLU 22 HA GLU 22 -0.140 -7.400 4.741 155 HB2 GLU 22 1HB GLU 22 -2.356 -5.762 3.496 156 HB3 GLU 22 2HB GLU 22 -2.575 -7.059 4.663 157 HG2 GLU 22 1HG GLU 22 -1.538 -4.303 5.063 158 HG3 GLU 22 2HG GLU 22 -2.707 -5.219 6.012 159 H ARG 23 H ARG 23 -1.505 -6.459 1.580 160 HA ARG 23 HA ARG 23 -2.534 -8.798 0.705 161 HB2 ARG 23 1HB ARG 23 -2.396 -6.601 -0.550 162 HB3 ARG 23 2HB ARG 23 -0.785 -7.088 -1.061 163 HG2 ARG 23 1HG ARG 23 -1.915 -9.199 -1.966 164 HG3 ARG 23 2HG ARG 23 -3.425 -8.306 -1.775 165 HD2 ARG 23 1HD ARG 23 -2.712 -6.617 -3.289 166 HD3 ARG 23 2HD ARG 23 -1.063 -7.241 -3.305 167 HE ARG 23 HE ARG 23 -2.860 -9.222 -4.211 168 HH11 ARG 23 1HH1 ARG 23 -1.381 -6.227 -5.192 169 HH12 ARG 23 2HH1 ARG 23 -1.453 -6.594 -6.884 170 HH21 ARG 23 1HH2 ARG 23 -2.961 -9.717 -6.436 171 HH22 ARG 23 2HH2 ARG 23 -2.353 -8.579 -7.590 172 H LYS 24 H LYS 24 0.898 -7.909 0.586 173 HA LYS 24 HA LYS 24 1.956 -10.030 -0.787 174 HB2 LYS 24 1HB LYS 24 3.148 -8.794 1.701 175 HB3 LYS 24 2HB LYS 24 4.025 -9.668 0.452 176 HG2 LYS 24 1HG LYS 24 2.446 -7.252 -0.292 177 HG3 LYS 24 2HG LYS 24 4.017 -7.062 0.490 178 HD2 LYS 24 1HD LYS 24 3.566 -8.735 -1.977 179 HD3 LYS 24 2HD LYS 24 4.072 -7.044 -2.019 180 HE2 LYS 24 1HE LYS 24 5.996 -7.753 -0.509 181 HE3 LYS 24 2HE LYS 24 5.553 -9.413 -0.906 182 HZ1 LYS 24 3HZ LYS 24 6.839 -9.179 -2.684 183 HZ2 LYS 24 1HZ LYS 24 6.999 -7.509 -2.458 184 HZ3 LYS 24 2HZ LYS 24 5.679 -8.124 -3.319 185 H ARG 25 H ARG 25 0.992 -9.932 2.612 186 HA ARG 25 HA ARG 25 1.923 -12.558 3.215 187 HB2 ARG 25 1HB ARG 25 1.151 -12.186 5.344 188 HB3 ARG 25 2HB ARG 25 1.308 -10.526 4.784 189 HG2 ARG 25 1HG ARG 25 -1.202 -10.931 4.043 190 HG3 ARG 25 2HG ARG 25 -1.125 -12.120 5.344 191 HD2 ARG 25 1HD ARG 25 -0.025 -10.110 6.650 192 HD3 ARG 25 2HD ARG 25 -0.905 -9.153 5.458 193 HE ARG 25 HE ARG 25 -2.029 -10.716 7.618 194 HH11 ARG 25 1HH1 ARG 25 -2.601 -9.065 4.607 195 HH12 ARG 25 2HH1 ARG 25 -4.302 -8.878 4.883 196 HH21 ARG 25 1HH2 ARG 25 -4.267 -10.476 7.992 197 HH22 ARG 25 2HH2 ARG 25 -5.248 -9.680 6.809 198 H LEU 26 H LEU 26 -0.978 -11.254 1.841 199 HA LEU 26 HA LEU 26 -2.660 -13.496 2.356 200 HB2 LEU 26 1HB LEU 26 -2.878 -11.362 0.238 201 HB3 LEU 26 2HB LEU 26 -4.152 -12.491 0.695 202 HG LEU 26 HG LEU 26 -3.055 -10.176 2.268 203 HD11 LEU 26 1HD1 LEU 26 -5.777 -10.948 1.239 204 HD12 LEU 26 2HD1 LEU 26 -4.796 -9.560 0.770 205 HD13 LEU 26 3HD1 LEU 26 -5.498 -9.637 2.385 206 HD21 LEU 26 3HD2 LEU 26 -4.689 -10.979 4.046 207 HD22 LEU 26 1HD2 LEU 26 -3.167 -11.860 3.904 208 HD23 LEU 26 2HD2 LEU 26 -4.646 -12.540 3.225 209 H ALA 27 H ALA 27 -0.712 -12.463 -0.419 210 HA ALA 27 HA ALA 27 -1.461 -14.458 -2.218 211 HB1 ALA 27 3HB ALA 27 0.683 -12.508 -1.990 212 HB2 ALA 27 1HB ALA 27 1.192 -13.990 -2.800 213 HB3 ALA 27 2HB ALA 27 -0.185 -13.077 -3.417 214 H GLN 28 H GLN 28 1.238 -14.417 0.103 215 HA GLN 28 HA GLN 28 2.180 -17.006 -0.529 216 HB2 GLN 28 1HB GLN 28 3.422 -16.840 1.605 217 HB3 GLN 28 2HB GLN 28 3.612 -15.411 0.596 218 HG2 GLN 28 1HG GLN 28 2.396 -14.079 2.008 219 HG3 GLN 28 2HG GLN 28 1.487 -15.433 2.678 220 HE21 GLN 28 1HE2 GLN 28 2.022 -14.364 4.717 221 HE22 GLN 28 2HE2 GLN 28 3.535 -14.722 5.470 222 H GLN 29 H GLN 29 -0.160 -15.804 1.810 223 HA GLN 29 HA GLN 29 -0.485 -18.265 3.197 224 HB2 GLN 29 1HB GLN 29 -1.903 -15.653 3.105 225 HB3 GLN 29 2HB GLN 29 -2.799 -17.033 3.725 226 HG2 GLN 29 1HG GLN 29 -1.011 -17.428 5.366 227 HG3 GLN 29 2HG GLN 29 -0.175 -15.995 4.770 228 HE21 GLN 29 1HE2 GLN 29 -1.821 -14.053 4.608 229 HE22 GLN 29 2HE2 GLN 29 -2.701 -13.760 6.065 230 H ASN 30 H ASN 30 -1.944 -16.852 0.350 231 HA ASN 30 HA ASN 30 -3.405 -19.367 -0.075 232 HB2 ASN 30 1HB ASN 30 -4.483 -16.589 -0.606 233 HB3 ASN 30 2HB ASN 30 -5.290 -18.095 -1.036 234 HD21 ASN 30 1HD2 ASN 30 -5.155 -15.692 1.189 235 HD22 ASN 30 2HD2 ASN 30 -5.849 -16.509 2.544 236 HA PRO 31 HA PRO 31 -0.731 -18.487 -3.712 237 HB2 PRO 31 1HB PRO 31 -0.138 -21.097 -4.168 238 HB3 PRO 31 2HB PRO 31 0.752 -20.098 -3.013 239 HG2 PRO 31 1HG PRO 31 -1.435 -22.080 -2.513 240 HG3 PRO 31 2HG PRO 31 0.073 -21.828 -1.615 241 HD2 PRO 31 1HD PRO 31 -2.309 -20.859 -0.765 242 HD3 PRO 31 2HD PRO 31 -0.774 -20.025 -0.455 243 H ASP 32 H ASP 32 -3.673 -20.032 -3.152 244 HA ASP 32 HA ASP 32 -4.067 -20.603 -6.011 245 HB2 ASP 32 1HB ASP 32 -5.184 -21.769 -3.514 246 HB3 ASP 32 2HB ASP 32 -6.252 -21.688 -4.912 247 H LEU 33 H LEU 33 -4.880 -18.453 -3.505 248 HA LEU 33 HA LEU 33 -7.369 -17.578 -4.717 249 HB2 LEU 33 1HB LEU 33 -5.814 -16.656 -2.312 250 HB3 LEU 33 2HB LEU 33 -7.273 -15.847 -2.880 251 HG LEU 33 HG LEU 33 -7.047 -18.649 -1.791 252 HD11 LEU 33 1HD1 LEU 33 -7.070 -16.627 -0.239 253 HD12 LEU 33 2HD1 LEU 33 -8.278 -17.879 0.046 254 HD13 LEU 33 3HD1 LEU 33 -8.733 -16.385 -0.773 255 HD21 LEU 33 3HD2 LEU 33 -8.802 -19.147 -3.069 256 HD22 LEU 33 1HD2 LEU 33 -9.004 -17.471 -3.578 257 HD23 LEU 33 2HD2 LEU 33 -9.727 -18.027 -2.068 258 H HIS 34 H HIS 34 -7.721 -15.498 -5.569 259 HA HIS 34 HA HIS 34 -5.274 -14.192 -6.560 260 HB2 HIS 34 1HB HIS 34 -6.734 -13.317 -8.393 261 HB3 HIS 34 2HB HIS 34 -6.580 -15.072 -8.382 262 HD1 HIS 34 1HD HIS 34 -9.050 -12.355 -8.191 263 HD2 HIS 34 2HD HIS 34 -8.933 -16.441 -7.448 264 HE1 HIS 34 1HE HIS 34 -11.454 -13.084 -8.058 265 HE2 HIS 34 2HE HIS 34 -11.358 -15.543 -7.523 266 H ASN 35 H ASN 35 -5.671 -11.800 -7.108 267 HA ASN 35 HA ASN 35 -5.858 -10.256 -4.928 268 HB2 ASN 35 1HB ASN 35 -5.404 -9.554 -7.355 269 HB3 ASN 35 2HB ASN 35 -7.144 -9.321 -7.488 270 HD21 ASN 35 1HD2 ASN 35 -6.776 -7.110 -7.886 271 HD22 ASN 35 2HD2 ASN 35 -6.397 -6.022 -6.599 272 H ALA 36 H ALA 36 -8.675 -10.428 -7.106 273 HA ALA 36 HA ALA 36 -10.610 -9.281 -5.683 274 HB1 ALA 36 3HB ALA 36 -10.550 -11.244 -7.716 275 HB2 ALA 36 1HB ALA 36 -11.747 -11.753 -6.525 276 HB3 ALA 36 2HB ALA 36 -11.872 -10.163 -7.278 277 H GLU 37 H GLU 37 -9.220 -12.427 -4.942 278 HA GLU 37 HA GLU 37 -11.072 -12.933 -2.787 279 HB2 GLU 37 1HB GLU 37 -8.528 -14.365 -3.575 280 HB3 GLU 37 2HB GLU 37 -9.675 -14.926 -2.367 281 HG2 GLU 37 1HG GLU 37 -10.394 -14.462 -5.248 282 HG3 GLU 37 2HG GLU 37 -9.857 -16.015 -4.609 283 H LEU 38 H LEU 38 -7.675 -11.989 -3.113 284 HA LEU 38 HA LEU 38 -7.016 -12.001 -0.388 285 HB2 LEU 38 1HB LEU 38 -5.871 -10.061 -2.370 286 HB3 LEU 38 2HB LEU 38 -5.086 -10.794 -0.973 287 HG LEU 38 HG LEU 38 -5.755 -12.111 -3.600 288 HD11 LEU 38 1HD1 LEU 38 -3.606 -11.844 -4.142 289 HD12 LEU 38 2HD1 LEU 38 -3.049 -12.272 -2.525 290 HD13 LEU 38 3HD1 LEU 38 -3.574 -10.624 -2.869 291 HD21 LEU 38 3HD2 LEU 38 -6.217 -13.737 -1.924 292 HD22 LEU 38 1HD2 LEU 38 -4.766 -13.306 -1.019 293 HD23 LEU 38 2HD2 LEU 38 -4.624 -14.106 -2.585 294 H SER 39 H SER 39 -8.334 -9.445 -2.453 295 HA SER 39 HA SER 39 -8.200 -7.246 -0.865 296 HB2 SER 39 1HB SER 39 -9.480 -7.776 -3.169 297 HB3 SER 39 2HB SER 39 -10.868 -7.726 -2.082 298 HG SER 39 HG SER 39 -10.175 -5.672 -3.077 299 H LYS 40 H LYS 40 -11.068 -9.370 -0.855 300 HA LYS 40 HA LYS 40 -12.509 -8.457 1.188 301 HB2 LYS 40 1HB LYS 40 -11.827 -11.389 1.129 302 HB3 LYS 40 2HB LYS 40 -13.351 -10.634 1.577 303 HG2 LYS 40 1HG LYS 40 -13.141 -9.786 -0.966 304 HG3 LYS 40 2HG LYS 40 -12.285 -11.325 -1.078 305 HD2 LYS 40 1HD LYS 40 -14.395 -12.158 0.306 306 HD3 LYS 40 2HD LYS 40 -15.144 -10.771 -0.488 307 HE2 LYS 40 1HE LYS 40 -14.678 -11.637 -2.641 308 HE3 LYS 40 2HE LYS 40 -13.586 -12.860 -1.991 309 HZ1 LYS 40 3HZ LYS 40 -16.445 -12.822 -1.255 310 HZ2 LYS 40 1HZ LYS 40 -15.347 -14.107 -1.170 311 HZ3 LYS 40 2HZ LYS 40 -15.920 -13.580 -2.672 312 H MET 41 H MET 41 -9.507 -10.284 1.571 313 HA MET 41 HA MET 41 -9.613 -10.368 4.416 314 HB2 MET 41 1HB MET 41 -7.224 -10.654 2.585 315 HB3 MET 41 2HB MET 41 -7.288 -11.121 4.279 316 HG2 MET 41 1HG MET 41 -9.072 -12.746 3.708 317 HG3 MET 41 2HG MET 41 -8.844 -12.335 2.010 318 HE1 MET 41 3HE MET 41 -6.982 -15.031 0.948 319 HE2 MET 41 1HE MET 41 -7.938 -13.577 0.662 320 HE3 MET 41 2HE MET 41 -6.177 -13.492 0.640 321 H LEU 42 H LEU 42 -7.920 -8.299 2.082 322 HA LEU 42 HA LEU 42 -6.539 -6.737 3.978 323 HB2 LEU 42 1HB LEU 42 -7.453 -5.977 1.208 324 HB3 LEU 42 2HB LEU 42 -6.231 -5.135 2.160 325 HG LEU 42 HG LEU 42 -5.931 -8.000 1.283 326 HD11 LEU 42 1HD1 LEU 42 -4.358 -6.976 -0.435 327 HD12 LEU 42 2HD1 LEU 42 -5.203 -5.457 -0.138 328 HD13 LEU 42 3HD1 LEU 42 -6.088 -6.851 -0.756 329 HD21 LEU 42 3HD2 LEU 42 -4.537 -6.484 3.119 330 HD22 LEU 42 1HD2 LEU 42 -3.561 -6.359 1.655 331 HD23 LEU 42 2HD2 LEU 42 -3.956 -7.945 2.318 332 H GLY 43 H GLY 43 -9.818 -6.711 2.885 333 HA2 GLY 43 1HA GLY 43 -10.405 -4.014 3.666 334 HA3 GLY 43 2HA GLY 43 -11.576 -5.262 3.266 335 H LYS 44 H LYS 44 -11.319 -7.166 5.064 336 HA LYS 44 HA LYS 44 -12.604 -6.263 7.326 337 HB2 LYS 44 1HB LYS 44 -12.040 -8.427 8.349 338 HB3 LYS 44 2HB LYS 44 -12.570 -8.614 6.682 339 HG2 LYS 44 1HG LYS 44 -10.345 -8.986 5.931 340 HG3 LYS 44 2HG LYS 44 -9.677 -8.528 7.499 341 HD2 LYS 44 1HD LYS 44 -9.604 -10.873 7.484 342 HD3 LYS 44 2HD LYS 44 -11.029 -10.479 8.448 343 HE2 LYS 44 1HE LYS 44 -11.354 -10.893 5.517 344 HE3 LYS 44 2HE LYS 44 -11.116 -12.304 6.546 345 HZ1 LYS 44 3HZ LYS 44 -13.396 -12.063 6.510 346 HZ2 LYS 44 1HZ LYS 44 -13.340 -10.372 6.541 347 HZ3 LYS 44 2HZ LYS 44 -12.990 -11.256 7.940 348 H SER 45 H SER 45 -9.141 -6.700 6.797 349 HA SER 45 HA SER 45 -8.422 -6.050 9.492 350 HB2 SER 45 1HB SER 45 -6.920 -6.502 6.939 351 HB3 SER 45 2HB SER 45 -6.095 -5.748 8.303 352 HG SER 45 HG SER 45 -6.072 -7.601 9.304 353 H TRP 46 H TRP 46 -8.820 -4.283 6.502 354 HA TRP 46 HA TRP 46 -7.495 -1.909 7.299 355 HB2 TRP 46 1HB TRP 46 -7.978 -2.430 4.944 356 HB3 TRP 46 2HB TRP 46 -9.704 -2.284 5.264 357 HD1 TRP 46 HD TRP 46 -10.670 -0.023 4.590 358 HE1 TRP 46 1HE TRP 46 -9.767 2.371 4.316 359 HE3 TRP 46 3HE TRP 46 -5.846 -0.799 6.092 360 HZ2 TRP 46 2HZ TRP 46 -7.331 3.748 4.686 361 HZ3 TRP 46 3HZ TRP 46 -4.292 1.109 6.103 362 HH2 TRP 46 HH TRP 46 -5.021 3.335 5.414 363 H LYS 47 H LYS 47 -11.000 -2.327 6.793 364 HA LYS 47 HA LYS 47 -11.931 -0.099 8.025 365 HB2 LYS 47 1HB LYS 47 -13.012 -2.851 7.717 366 HB3 LYS 47 2HB LYS 47 -13.846 -1.785 8.840 367 HG2 LYS 47 1HG LYS 47 -14.397 -0.254 7.153 368 HG3 LYS 47 2HG LYS 47 -13.232 -0.951 6.025 369 HD2 LYS 47 1HD LYS 47 -15.573 -2.515 7.082 370 HD3 LYS 47 2HD LYS 47 -15.694 -1.500 5.643 371 HE2 LYS 47 1HE LYS 47 -13.793 -2.775 4.665 372 HE3 LYS 47 2HE LYS 47 -13.849 -3.848 6.062 373 HZ1 LYS 47 3HZ LYS 47 -15.383 -3.964 3.721 374 HZ2 LYS 47 1HZ LYS 47 -16.431 -3.658 5.014 375 HZ3 LYS 47 2HZ LYS 47 -15.416 -5.011 5.050 376 H ALA 48 H ALA 48 -10.788 -3.031 9.597 377 HA ALA 48 HA ALA 48 -11.644 -2.457 12.210 378 HB1 ALA 48 3HB ALA 48 -9.561 -4.219 11.021 379 HB2 ALA 48 1HB ALA 48 -9.536 -3.931 12.761 380 HB3 ALA 48 2HB ALA 48 -10.966 -4.633 12.003 381 H LEU 49 H LEU 49 -8.723 -1.554 10.446 382 HA LEU 49 HA LEU 49 -7.214 -0.516 12.534 383 HB2 LEU 49 1HB LEU 49 -7.409 0.328 9.652 384 HB3 LEU 49 2HB LEU 49 -6.209 0.971 10.771 385 HG LEU 49 HG LEU 49 -6.458 -1.943 10.030 386 HD11 LEU 49 1HD1 LEU 49 -4.144 -1.193 8.933 387 HD12 LEU 49 2HD1 LEU 49 -5.038 0.316 8.756 388 HD13 LEU 49 3HD1 LEU 49 -5.672 -1.171 8.053 389 HD21 LEU 49 3HD2 LEU 49 -4.103 -1.941 10.971 390 HD22 LEU 49 1HD2 LEU 49 -5.417 -1.773 12.136 391 HD23 LEU 49 2HD2 LEU 49 -4.483 -0.357 11.651 392 H THR 50 H THR 50 -6.890 1.628 13.284 393 HA THR 50 HA THR 50 -9.345 3.238 13.214 394 HB THR 50 HB THR 50 -8.763 4.149 15.299 395 HG1 THR 50 1HG THR 50 -6.613 4.673 14.990 396 HG21 THR 50 3HG2 THR 50 -8.599 2.288 16.721 397 HG22 THR 50 1HG2 THR 50 -7.607 1.388 15.575 398 HG23 THR 50 2HG2 THR 50 -9.320 1.645 15.246 399 H LEU 51 H LEU 51 -9.031 5.633 13.355 400 HA LEU 51 HA LEU 51 -7.887 6.709 11.147 401 HB2 LEU 51 1HB LEU 51 -9.374 7.915 12.686 402 HB3 LEU 51 2HB LEU 51 -8.052 8.048 13.844 403 HG LEU 51 HG LEU 51 -8.642 10.087 12.383 404 HD11 LEU 51 1HD1 LEU 51 -6.440 9.398 13.735 405 HD12 LEU 51 2HD1 LEU 51 -6.578 10.899 12.819 406 HD13 LEU 51 3HD1 LEU 51 -5.758 9.507 12.112 407 HD21 LEU 51 3HD2 LEU 51 -7.412 10.130 10.233 408 HD22 LEU 51 1HD2 LEU 51 -8.761 8.994 10.242 409 HD23 LEU 51 2HD2 LEU 51 -7.108 8.401 10.408 410 H ALA 52 H ALA 52 -6.342 6.838 14.363 411 HA ALA 52 HA ALA 52 -3.917 7.900 13.670 412 HB1 ALA 52 3HB ALA 52 -3.044 7.027 15.672 413 HB2 ALA 52 1HB ALA 52 -4.765 7.264 15.977 414 HB3 ALA 52 2HB ALA 52 -4.142 5.647 15.645 415 H GLU 53 H GLU 53 -5.034 4.606 13.205 416 HA GLU 53 HA GLU 53 -2.487 3.544 12.472 417 HB2 GLU 53 1HB GLU 53 -5.246 2.471 11.858 418 HB3 GLU 53 2HB GLU 53 -3.738 1.576 11.744 419 HG2 GLU 53 1HG GLU 53 -3.512 2.226 14.267 420 HG3 GLU 53 2HG GLU 53 -5.259 2.430 14.155 421 H LYS 54 H LYS 54 -5.200 4.940 10.726 422 HA LYS 54 HA LYS 54 -4.033 4.351 8.142 423 HB2 LYS 54 1HB LYS 54 -6.413 6.102 8.772 424 HB3 LYS 54 2HB LYS 54 -5.990 5.414 7.210 425 HG2 LYS 54 1HG LYS 54 -6.456 3.193 8.005 426 HG3 LYS 54 2HG LYS 54 -6.735 3.799 9.639 427 HD2 LYS 54 1HD LYS 54 -8.774 4.703 9.102 428 HD3 LYS 54 2HD LYS 54 -8.343 4.940 7.407 429 HE2 LYS 54 1HE LYS 54 -9.778 3.181 7.188 430 HE3 LYS 54 2HE LYS 54 -8.273 2.296 7.432 431 HZ1 LYS 54 3HZ LYS 54 -10.417 1.760 8.822 432 HZ2 LYS 54 1HZ LYS 54 -9.838 3.015 9.797 433 HZ3 LYS 54 2HZ LYS 54 -8.877 1.653 9.512 434 H ARG 55 H ARG 55 -3.618 6.700 10.493 435 HA ARG 55 HA ARG 55 -3.365 9.083 9.099 436 HB2 ARG 55 1HB ARG 55 -3.010 8.389 11.665 437 HB3 ARG 55 2HB ARG 55 -1.325 8.504 11.176 438 HG2 ARG 55 1HG ARG 55 -1.746 10.627 11.947 439 HG3 ARG 55 2HG ARG 55 -2.030 10.809 10.215 440 HD2 ARG 55 1HD ARG 55 -4.480 10.291 10.758 441 HD3 ARG 55 2HD ARG 55 -4.038 10.601 12.437 442 HE ARG 55 HE ARG 55 -4.431 12.540 10.378 443 HH11 ARG 55 1HH1 ARG 55 -2.671 11.858 13.303 444 HH12 ARG 55 2HH1 ARG 55 -2.444 13.527 13.710 445 HH21 ARG 55 1HH2 ARG 55 -4.137 14.741 10.902 446 HH22 ARG 55 2HH2 ARG 55 -3.278 15.166 12.344 447 HA PRO 56 HA PRO 56 1.247 7.853 8.223 448 HB2 PRO 56 1HB PRO 56 1.843 5.212 8.423 449 HB3 PRO 56 2HB PRO 56 1.998 6.337 9.778 450 HG2 PRO 56 1HG PRO 56 -0.208 4.411 9.158 451 HG3 PRO 56 2HG PRO 56 0.559 4.769 10.716 452 HD2 PRO 56 1HD PRO 56 -1.833 5.813 9.996 453 HD3 PRO 56 2HD PRO 56 -0.683 6.685 11.030 454 H PHE 57 H PHE 57 -1.300 5.550 7.418 455 HA PHE 57 HA PHE 57 -0.162 5.065 4.785 456 HB2 PHE 57 1HB PHE 57 -2.775 4.035 5.898 457 HB3 PHE 57 2HB PHE 57 -1.884 3.409 4.514 458 HD1 PHE 57 1HD PHE 57 0.605 2.680 5.088 459 HD2 PHE 57 2HD PHE 57 -2.595 2.911 7.886 460 HE1 PHE 57 1HE PHE 57 1.782 1.099 6.561 461 HE2 PHE 57 2HE PHE 57 -1.422 1.331 9.363 462 HZ PHE 57 HZ PHE 57 0.769 0.423 8.701 463 H VAL 58 H VAL 58 -2.202 7.300 6.225 464 HA VAL 58 HA VAL 58 -3.800 7.772 3.827 465 HB VAL 58 HB VAL 58 -3.891 8.880 6.618 466 HG11 VAL 58 1HG1 VAL 58 -5.725 10.363 5.871 467 HG12 VAL 58 2HG1 VAL 58 -4.159 10.805 5.188 468 HG13 VAL 58 3HG1 VAL 58 -5.343 9.948 4.200 469 HG21 VAL 58 3HG2 VAL 58 -5.761 7.645 6.862 470 HG22 VAL 58 1HG2 VAL 58 -6.312 7.966 5.218 471 HG23 VAL 58 2HG2 VAL 58 -5.096 6.723 5.513 472 H GLU 59 H GLU 59 -1.256 9.272 5.745 473 HA GLU 59 HA GLU 59 -1.220 11.698 4.217 474 HB2 GLU 59 1HB GLU 59 0.894 10.594 6.074 475 HB3 GLU 59 2HB GLU 59 0.772 12.251 5.501 476 HG2 GLU 59 1HG GLU 59 -1.548 11.105 6.952 477 HG3 GLU 59 2HG GLU 59 -0.107 11.524 7.878 478 H GLU 60 H GLU 60 -0.131 8.579 3.640 479 HA GLU 60 HA GLU 60 2.112 9.411 1.965 480 HB2 GLU 60 1HB GLU 60 2.653 7.497 3.218 481 HB3 GLU 60 2HB GLU 60 1.092 6.747 2.912 482 HG2 GLU 60 1HG GLU 60 1.701 5.979 0.858 483 HG3 GLU 60 2HG GLU 60 2.852 7.286 0.587 484 H ALA 61 H ALA 61 -0.734 7.292 1.575 485 HA ALA 61 HA ALA 61 -0.730 6.964 -1.131 486 HB1 ALA 61 3HB ALA 61 -2.768 6.070 -0.851 487 HB2 ALA 61 1HB ALA 61 -2.477 6.357 0.865 488 HB3 ALA 61 2HB ALA 61 -3.407 7.521 -0.079 489 H GLU 62 H GLU 62 -2.167 9.693 0.639 490 HA GLU 62 HA GLU 62 -3.323 11.089 -1.415 491 HB2 GLU 62 1HB GLU 62 -3.520 11.832 0.875 492 HB3 GLU 62 2HB GLU 62 -1.796 12.165 0.959 493 HG2 GLU 62 1HG GLU 62 -2.535 14.270 0.606 494 HG3 GLU 62 2HG GLU 62 -2.387 13.758 -1.075 495 H ARG 63 H ARG 63 0.009 11.624 -0.250 496 HA ARG 63 HA ARG 63 0.872 13.419 -2.124 497 HB2 ARG 63 1HB ARG 63 2.498 11.118 -1.027 498 HB3 ARG 63 2HB ARG 63 3.138 12.605 -1.715 499 HG2 ARG 63 1HG ARG 63 2.387 13.893 0.104 500 HG3 ARG 63 2HG ARG 63 1.347 12.595 0.693 501 HD2 ARG 63 1HD ARG 63 3.133 11.370 1.525 502 HD3 ARG 63 2HD ARG 63 4.302 12.184 0.487 503 HE ARG 63 HE ARG 63 3.184 14.058 2.254 504 HH11 ARG 63 1HH1 ARG 63 5.308 11.299 2.260 505 HH12 ARG 63 2HH1 ARG 63 6.209 11.831 3.640 506 HH21 ARG 63 1HH2 ARG 63 4.363 14.769 4.072 507 HH22 ARG 63 2HH2 ARG 63 5.671 13.805 4.671 508 H LEU 64 H LEU 64 0.893 9.878 -2.418 509 HA LEU 64 HA LEU 64 2.080 9.735 -4.951 510 HB2 LEU 64 1HB LEU 64 -0.013 7.800 -4.030 511 HB3 LEU 64 2HB LEU 64 1.425 7.494 -5.002 512 HG LEU 64 HG LEU 64 1.339 8.064 -2.041 513 HD11 LEU 64 1HD1 LEU 64 1.090 5.670 -3.550 514 HD12 LEU 64 2HD1 LEU 64 1.153 5.871 -1.800 515 HD13 LEU 64 3HD1 LEU 64 2.643 5.643 -2.714 516 HD21 LEU 64 3HD2 LEU 64 3.537 8.100 -4.015 517 HD22 LEU 64 1HD2 LEU 64 3.852 7.253 -2.500 518 HD23 LEU 64 2HD2 LEU 64 3.373 8.951 -2.478 519 H ARG 65 H ARG 65 -1.330 9.936 -4.000 520 HA ARG 65 HA ARG 65 -2.447 9.682 -6.556 521 HB2 ARG 65 1HB ARG 65 -3.845 9.487 -4.611 522 HB3 ARG 65 2HB ARG 65 -3.442 11.119 -4.094 523 HG2 ARG 65 1HG ARG 65 -4.483 11.728 -6.450 524 HG3 ARG 65 2HG ARG 65 -5.326 10.200 -6.188 525 HD2 ARG 65 1HD ARG 65 -5.741 11.254 -3.800 526 HD3 ARG 65 2HD ARG 65 -5.507 12.761 -4.685 527 HE ARG 65 HE ARG 65 -7.543 12.450 -5.683 528 HH11 ARG 65 1HH1 ARG 65 -6.514 9.457 -4.231 529 HH12 ARG 65 2HH1 ARG 65 -8.023 8.653 -4.509 530 HH21 ARG 65 1HH2 ARG 65 -9.534 11.401 -6.054 531 HH22 ARG 65 2HH2 ARG 65 -9.740 9.759 -5.546 532 H VAL 66 H VAL 66 -2.049 12.700 -4.688 533 HA VAL 66 HA VAL 66 -2.696 14.535 -6.591 534 HB VAL 66 HB VAL 66 -1.097 16.101 -5.503 535 HG11 VAL 66 1HG1 VAL 66 -3.319 14.750 -4.355 536 HG12 VAL 66 2HG1 VAL 66 -2.149 15.082 -3.076 537 HG13 VAL 66 3HG1 VAL 66 -2.766 16.401 -4.073 538 HG21 VAL 66 3HG2 VAL 66 0.229 15.349 -3.612 539 HG22 VAL 66 1HG2 VAL 66 -0.328 13.694 -3.855 540 HG23 VAL 66 2HG2 VAL 66 0.691 14.468 -5.068 541 H GLN 67 H GLN 67 0.279 12.696 -6.352 542 HA GLN 67 HA GLN 67 1.788 14.176 -8.226 543 HB2 GLN 67 1HB GLN 67 1.968 11.394 -7.119 544 HB3 GLN 67 2HB GLN 67 3.017 11.886 -8.442 545 HG2 GLN 67 1HG GLN 67 4.023 13.585 -7.126 546 HG3 GLN 67 2HG GLN 67 2.824 13.390 -5.849 547 HE21 GLN 67 1HE2 GLN 67 4.108 12.819 -4.191 548 HE22 GLN 67 2HE2 GLN 67 5.098 11.403 -4.161 549 H HIS 68 H HIS 68 0.220 10.995 -8.636 550 HA HIS 68 HA HIS 68 0.549 10.549 -11.273 551 HB2 HIS 68 1HB HIS 68 -0.676 8.973 -9.944 552 HB3 HIS 68 2HB HIS 68 -1.961 10.140 -9.642 553 HD1 HIS 68 1HD HIS 68 -0.515 8.058 -12.448 554 HD2 HIS 68 2HD HIS 68 -3.979 10.144 -11.494 555 HE1 HIS 68 1HE HIS 68 -2.164 7.486 -14.258 556 HE2 HIS 68 2HE HIS 68 -4.224 8.826 -13.706 557 H MET 69 H MET 69 -1.365 13.073 -9.869 558 HA MET 69 HA MET 69 -2.797 13.688 -12.294 559 HB2 MET 69 1HB MET 69 -2.490 15.374 -9.805 560 HB3 MET 69 2HB MET 69 -3.701 15.568 -11.065 561 HG2 MET 69 1HG MET 69 -4.571 13.310 -10.477 562 HG3 MET 69 2HG MET 69 -3.455 13.295 -9.114 563 HE1 MET 69 3HE MET 69 -5.198 13.575 -6.745 564 HE2 MET 69 1HE MET 69 -6.830 13.682 -7.407 565 HE3 MET 69 2HE MET 69 -5.660 12.571 -8.120 566 H GLN 70 H GLN 70 -0.036 15.014 -10.523 567 HA GLN 70 HA GLN 70 0.461 17.346 -11.824 568 HB2 GLN 70 1HB GLN 70 2.631 17.218 -11.052 569 HB3 GLN 70 2HB GLN 70 1.835 16.046 -10.011 570 HG2 GLN 70 1HG GLN 70 2.559 14.285 -11.681 571 HG3 GLN 70 2HG GLN 70 3.590 15.529 -12.387 572 HE21 GLN 70 1HE2 GLN 70 3.452 13.063 -10.192 573 HE22 GLN 70 2HE2 GLN 70 4.823 13.472 -9.224 574 H ASP 71 H ASP 71 0.916 14.106 -13.067 575 HA ASP 71 HA ASP 71 2.468 14.744 -15.327 576 HB2 ASP 71 1HB ASP 71 1.935 12.432 -14.323 577 HB3 ASP 71 2HB ASP 71 0.450 12.511 -15.268 578 H HIS 72 H HIS 72 -1.018 14.676 -14.795 579 HA HIS 72 HA HIS 72 -1.361 16.188 -17.283 580 HB2 HIS 72 1HB HIS 72 -3.556 14.825 -17.557 581 HB3 HIS 72 2HB HIS 72 -2.036 14.102 -18.074 582 HD1 HIS 72 1HD HIS 72 -4.756 13.765 -15.555 583 HD2 HIS 72 2HD HIS 72 -1.142 11.945 -16.495 584 HE1 HIS 72 1HE HIS 72 -4.719 11.624 -14.237 585 HE2 HIS 72 2HE HIS 72 -2.486 10.581 -14.755 586 HA PRO 73 HA PRO 73 -3.584 18.702 -14.351 587 HB2 PRO 73 1HB PRO 73 -4.256 20.652 -16.117 588 HB3 PRO 73 2HB PRO 73 -2.640 20.506 -15.415 589 HG2 PRO 73 1HG PRO 73 -3.629 19.609 -18.095 590 HG3 PRO 73 2HG PRO 73 -2.109 20.421 -17.678 591 HD2 PRO 73 1HD PRO 73 -2.264 17.753 -18.113 592 HD3 PRO 73 2HD PRO 73 -1.116 18.467 -16.963 593 H ASN 74 H ASN 74 -4.782 16.739 -16.693 594 HA ASN 74 HA ASN 74 -7.328 17.679 -17.288 595 HB2 ASN 74 1HB ASN 74 -6.694 14.774 -16.772 596 HB3 ASN 74 2HB ASN 74 -7.887 15.442 -17.882 597 HD21 ASN 74 1HD2 ASN 74 -6.157 17.502 -18.898 598 HD22 ASN 74 2HD2 ASN 74 -4.999 16.723 -19.916 599 H TYR 75 H TYR 75 -6.063 16.397 -14.336 600 HA TYR 75 HA TYR 75 -8.500 15.616 -13.129 601 HB2 TYR 75 1HB TYR 75 -7.277 15.429 -11.112 602 HB3 TYR 75 2HB TYR 75 -6.136 15.017 -12.388 603 HD1 TYR 75 2HD TYR 75 -4.652 16.992 -13.255 604 HD2 TYR 75 1HD TYR 75 -6.667 16.987 -9.507 605 HE1 TYR 75 2HE TYR 75 -3.096 18.705 -12.422 606 HE2 TYR 75 1HE TYR 75 -5.118 18.701 -8.665 607 HH TYR 75 HH TYR 75 -3.345 20.608 -10.441 608 H LYS 76 H LYS 76 -6.563 18.588 -12.823 609 HA LYS 76 HA LYS 76 -8.782 20.305 -12.733 610 HB2 LYS 76 1HB LYS 76 -9.246 20.646 -10.533 611 HB3 LYS 76 2HB LYS 76 -8.689 18.983 -10.401 612 HG2 LYS 76 1HG LYS 76 -6.350 20.191 -10.084 613 HG3 LYS 76 2HG LYS 76 -7.395 21.497 -9.520 614 HD2 LYS 76 1HD LYS 76 -7.711 18.691 -8.501 615 HD3 LYS 76 2HD LYS 76 -6.531 19.797 -7.794 616 HE2 LYS 76 1HE LYS 76 -8.428 20.068 -6.461 617 HE3 LYS 76 2HE LYS 76 -8.491 21.435 -7.572 618 HZ1 LYS 76 3HZ LYS 76 -9.922 18.917 -8.155 619 HZ2 LYS 76 1HZ LYS 76 -10.196 20.460 -8.793 620 HZ3 LYS 76 2HZ LYS 76 -10.619 20.120 -7.191 621 H SER 77 H SER 77 -8.185 22.480 -12.693 622 HA SER 77 HA SER 77 -5.658 23.442 -11.905 623 HB2 SER 77 1HB SER 77 -4.837 22.148 -13.818 624 HB3 SER 77 2HB SER 77 -5.977 22.973 -14.881 625 HG SER 77 HG SER 77 -3.540 23.739 -14.221 626 H GLY 78 H GLY 78 -6.473 25.305 -11.163 627 HA2 GLY 78 1HA GLY 78 -7.203 27.379 -12.934 628 HA3 GLY 78 2HA GLY 78 -8.655 26.703 -12.210 629 HA PRO 79 HA PRO 79 -8.052 29.559 -8.912 630 HB2 PRO 79 1HB PRO 79 -9.742 28.433 -7.110 631 HB3 PRO 79 2HB PRO 79 -10.305 29.338 -8.519 632 HG2 PRO 79 1HG PRO 79 -10.081 26.378 -8.135 633 HG3 PRO 79 2HG PRO 79 -11.392 27.314 -8.876 634 HD2 PRO 79 1HD PRO 79 -9.524 26.010 -10.341 635 HD3 PRO 79 2HD PRO 79 -10.277 27.524 -10.883 636 H SER 80 H SER 80 -6.759 29.755 -7.150 637 HA SER 80 HA SER 80 -5.050 27.591 -6.456 638 HB2 SER 80 1HB SER 80 -4.471 30.074 -6.424 639 HB3 SER 80 2HB SER 80 -5.355 30.162 -4.901 640 HG SER 80 HG SER 80 -3.826 28.196 -4.476 641 H SER 81 H SER 81 -7.484 29.395 -4.577 642 HA SER 81 HA SER 81 -8.556 28.897 -2.622 643 HB2 SER 81 1HB SER 81 -9.652 27.373 -4.305 644 HB3 SER 81 2HB SER 81 -8.589 26.086 -3.737 645 HG SER 81 HG SER 81 -9.516 26.303 -1.681 646 H GLY 82 H GLY 82 -5.841 28.984 -2.230 647 HA2 GLY 82 1HA GLY 82 -4.763 26.664 -1.012 648 HA3 GLY 82 2HA GLY 82 -4.164 28.304 -0.815 Start of MODEL 15 1 H1 GLY 1 H GLY 1 4.057 -16.675 -6.765 2 HA2 GLY 1 1HA GLY 1 2.790 -14.139 -7.572 3 HA3 GLY 1 2HA GLY 1 4.265 -14.274 -6.626 4 H SER 2 H SER 2 3.265 -13.235 -9.460 5 HA SER 2 HA SER 2 5.120 -14.523 -11.240 6 HB2 SER 2 1HB SER 2 2.868 -13.413 -11.849 7 HB3 SER 2 2HB SER 2 3.758 -11.892 -11.782 8 HG SER 2 HG SER 2 4.841 -13.993 -13.273 9 H SER 3 H SER 3 6.699 -13.182 -12.512 10 HA SER 3 HA SER 3 7.927 -11.048 -10.921 11 HB2 SER 3 1HB SER 3 10.159 -12.037 -11.218 12 HB3 SER 3 2HB SER 3 9.100 -13.124 -10.319 13 HG SER 3 HG SER 3 9.545 -14.536 -11.795 14 H GLY 4 H GLY 4 9.484 -9.755 -12.140 15 HA2 GLY 4 1HA GLY 4 10.477 -9.125 -14.237 16 HA3 GLY 4 2HA GLY 4 9.175 -9.970 -15.061 17 H SER 5 H SER 5 9.218 -7.497 -12.496 18 HA SER 5 HA SER 5 7.968 -5.579 -14.283 19 HB2 SER 5 1HB SER 5 6.570 -6.715 -11.859 20 HB3 SER 5 2HB SER 5 6.114 -5.176 -12.588 21 HG SER 5 HG SER 5 6.331 -7.431 -14.232 22 H SER 6 H SER 6 8.266 -3.467 -13.663 23 HA SER 6 HA SER 6 10.318 -3.008 -11.704 24 HB2 SER 6 1HB SER 6 10.085 -1.779 -13.918 25 HB3 SER 6 2HB SER 6 8.740 -0.903 -13.189 26 HG SER 6 HG SER 6 10.154 0.327 -12.266 27 H GLY 7 H GLY 7 6.884 -2.179 -12.032 28 HA2 GLY 7 1HA GLY 7 6.308 -2.355 -9.309 29 HA3 GLY 7 2HA GLY 7 6.699 -0.675 -9.644 30 H ILE 8 H ILE 8 4.841 0.411 -9.659 31 HA ILE 8 HA ILE 8 2.626 -0.680 -11.270 32 HB ILE 8 HB ILE 8 2.269 1.163 -8.913 33 HG12 ILE 8 1HG1 ILE 8 3.265 -0.934 -8.124 34 HG13 ILE 8 2HG1 ILE 8 1.582 -0.813 -7.622 35 HG21 ILE 8 1HG2 ILE 8 0.176 1.271 -9.639 36 HG22 ILE 8 2HG2 ILE 8 0.553 0.172 -10.965 37 HG23 ILE 8 3HG2 ILE 8 0.023 -0.471 -9.411 38 HD11 ILE 8 3HD1 ILE 8 2.546 -2.387 -9.996 39 HD12 ILE 8 1HD1 ILE 8 2.225 -3.063 -8.399 40 HD13 ILE 8 2HD1 ILE 8 0.911 -2.352 -9.336 41 H ARG 9 H ARG 9 1.550 0.699 -12.639 42 HA ARG 9 HA ARG 9 2.906 3.234 -13.178 43 HB2 ARG 9 1HB ARG 9 1.138 1.424 -14.789 44 HB3 ARG 9 2HB ARG 9 1.349 3.103 -15.266 45 HG2 ARG 9 1HG ARG 9 2.904 1.821 -16.506 46 HG3 ARG 9 2HG ARG 9 3.820 2.695 -15.276 47 HD2 ARG 9 1HD ARG 9 3.762 0.657 -13.861 48 HD3 ARG 9 2HD ARG 9 2.971 -0.197 -15.185 49 HE ARG 9 HE ARG 9 5.759 0.519 -14.993 50 HH11 ARG 9 1HH1 ARG 9 3.144 -0.395 -17.102 51 HH12 ARG 9 2HH1 ARG 9 4.187 -0.996 -18.348 52 HH21 ARG 9 1HH2 ARG 9 7.142 -0.270 -16.626 53 HH22 ARG 9 2HH2 ARG 9 6.460 -0.926 -18.076 54 H ARG 10 H ARG 10 0.670 2.487 -11.120 55 HA ARG 10 HA ARG 10 -0.852 4.948 -11.572 56 HB2 ARG 10 1HB ARG 10 -2.085 2.273 -10.886 57 HB3 ARG 10 2HB ARG 10 -2.943 3.809 -10.885 58 HG2 ARG 10 1HG ARG 10 -3.521 2.969 -12.936 59 HG3 ARG 10 2HG ARG 10 -2.115 3.949 -13.354 60 HD2 ARG 10 1HD ARG 10 -0.772 1.781 -12.980 61 HD3 ARG 10 2HD ARG 10 -2.333 0.970 -13.103 62 HE ARG 10 HE ARG 10 -1.961 2.724 -15.289 63 HH11 ARG 10 1HH1 ARG 10 -0.894 -0.340 -14.026 64 HH12 ARG 10 2HH1 ARG 10 -0.527 -1.002 -15.585 65 HH21 ARG 10 1HH2 ARG 10 -1.482 1.863 -17.346 66 HH22 ARG 10 2HH2 ARG 10 -0.862 0.252 -17.472 67 HA PRO 11 HA PRO 11 -0.105 5.686 -7.307 68 HB2 PRO 11 1HB PRO 11 -2.265 7.203 -6.673 69 HB3 PRO 11 2HB PRO 11 -0.928 7.802 -7.662 70 HG2 PRO 11 1HG PRO 11 -3.601 6.761 -8.520 71 HG3 PRO 11 2HG PRO 11 -2.705 8.170 -9.116 72 HD2 PRO 11 1HD PRO 11 -2.750 5.806 -10.437 73 HD3 PRO 11 2HD PRO 11 -1.344 6.891 -10.467 74 H MET 12 H MET 12 -1.320 5.668 -5.123 75 HA MET 12 HA MET 12 -3.397 3.606 -5.043 76 HB2 MET 12 1HB MET 12 -1.212 3.416 -3.025 77 HB3 MET 12 2HB MET 12 -2.254 2.155 -3.672 78 HG2 MET 12 1HG MET 12 -0.967 2.520 -5.869 79 HG3 MET 12 2HG MET 12 0.216 3.349 -4.860 80 HE1 MET 12 3HE MET 12 0.585 0.589 -2.116 81 HE2 MET 12 1HE MET 12 1.901 1.492 -2.865 82 HE3 MET 12 2HE MET 12 0.398 2.312 -2.443 83 H ASN 13 H ASN 13 -4.716 3.660 -3.193 84 HA ASN 13 HA ASN 13 -4.717 6.247 -1.844 85 HB2 ASN 13 1HB ASN 13 -6.986 5.866 -1.346 86 HB3 ASN 13 2HB ASN 13 -6.778 5.194 -2.960 87 HD21 ASN 13 1HD2 ASN 13 -6.339 2.849 -3.061 88 HD22 ASN 13 2HD2 ASN 13 -7.145 1.825 -1.926 89 H ALA 14 H ALA 14 -5.891 5.842 0.507 90 HA ALA 14 HA ALA 14 -3.846 5.018 2.203 91 HB1 ALA 14 3HB ALA 14 -5.288 6.374 3.316 92 HB2 ALA 14 1HB ALA 14 -6.714 5.680 2.543 93 HB3 ALA 14 2HB ALA 14 -5.919 4.820 3.862 94 H PHE 15 H PHE 15 -6.811 3.284 1.273 95 HA PHE 15 HA PHE 15 -6.382 0.984 2.801 96 HB2 PHE 15 1HB PHE 15 -8.534 1.218 1.888 97 HB3 PHE 15 2HB PHE 15 -7.913 1.507 0.266 98 HD1 PHE 15 1HD PHE 15 -8.657 -1.035 2.795 99 HD2 PHE 15 2HD PHE 15 -7.298 -0.314 -1.174 100 HE1 PHE 15 1HE PHE 15 -8.959 -3.418 2.262 101 HE2 PHE 15 2HE PHE 15 -7.600 -2.695 -1.713 102 HZ PHE 15 HZ PHE 15 -8.432 -4.250 0.005 103 H MET 16 H MET 16 -5.590 1.584 -0.621 104 HA MET 16 HA MET 16 -4.385 -0.856 -1.176 105 HB2 MET 16 1HB MET 16 -3.923 1.905 -2.288 106 HB3 MET 16 2HB MET 16 -3.066 0.499 -2.905 107 HG2 MET 16 1HG MET 16 -6.028 0.378 -2.733 108 HG3 MET 16 2HG MET 16 -5.297 1.359 -4.002 109 HE1 MET 16 3HE MET 16 -2.544 -0.615 -4.655 110 HE2 MET 16 1HE MET 16 -3.349 -1.103 -6.147 111 HE3 MET 16 2HE MET 16 -3.513 0.551 -5.559 112 H VAL 17 H VAL 17 -2.704 2.189 -0.365 113 HA VAL 17 HA VAL 17 -0.137 1.349 -0.180 114 HB VAL 17 HB VAL 17 -1.467 3.163 1.837 115 HG11 VAL 17 1HG1 VAL 17 0.792 2.354 2.464 116 HG12 VAL 17 2HG1 VAL 17 1.418 3.051 0.968 117 HG13 VAL 17 3HG1 VAL 17 0.719 4.097 2.205 118 HG21 VAL 17 3HG2 VAL 17 -1.627 4.734 0.268 119 HG22 VAL 17 1HG2 VAL 17 0.038 4.470 -0.250 120 HG23 VAL 17 2HG2 VAL 17 -1.261 3.486 -0.923 121 H TRP 18 H TRP 18 -2.124 1.555 2.771 122 HA TRP 18 HA TRP 18 -0.523 0.093 4.442 123 HB2 TRP 18 1HB TRP 18 -2.299 1.073 5.544 124 HB3 TRP 18 2HB TRP 18 -3.470 0.563 4.331 125 HD1 TRP 18 HD TRP 18 -1.928 -0.490 7.611 126 HE1 TRP 18 1HE TRP 18 -3.052 -2.657 8.426 127 HE3 TRP 18 3HE TRP 18 -4.580 -1.663 3.401 128 HZ2 TRP 18 2HZ TRP 18 -4.827 -4.606 7.418 129 HZ3 TRP 18 3HZ TRP 18 -5.967 -3.696 3.408 130 HH2 TRP 18 HH TRP 18 -6.086 -5.136 5.376 131 H ALA 19 H ALA 19 -2.731 -1.090 1.996 132 HA ALA 19 HA ALA 19 -2.686 -3.818 2.816 133 HB1 ALA 19 3HB ALA 19 -4.488 -3.546 1.485 134 HB2 ALA 19 1HB ALA 19 -3.718 -2.291 0.514 135 HB3 ALA 19 2HB ALA 19 -3.348 -3.990 0.214 136 H LYS 20 H LYS 20 -0.656 -1.834 0.786 137 HA LYS 20 HA LYS 20 0.665 -3.601 -0.807 138 HB2 LYS 20 1HB LYS 20 2.405 -2.064 -0.943 139 HB3 LYS 20 2HB LYS 20 1.054 -1.065 -0.423 140 HG2 LYS 20 1HG LYS 20 1.982 -1.645 1.971 141 HG3 LYS 20 2HG LYS 20 3.477 -1.912 1.072 142 HD2 LYS 20 1HD LYS 20 1.849 0.597 0.760 143 HD3 LYS 20 2HD LYS 20 3.080 0.427 2.014 144 HE2 LYS 20 1HE LYS 20 3.735 -0.170 -0.845 145 HE3 LYS 20 2HE LYS 20 3.711 1.496 -0.268 146 HZ1 LYS 20 3HZ LYS 20 5.345 0.912 1.404 147 HZ2 LYS 20 1HZ LYS 20 5.925 0.526 -0.138 148 HZ3 LYS 20 2HZ LYS 20 5.354 -0.696 0.881 149 H ASP 21 H ASP 21 0.938 -3.277 2.662 150 HA ASP 21 HA ASP 21 3.132 -5.201 2.761 151 HB2 ASP 21 1HB ASP 21 2.986 -3.076 4.209 152 HB3 ASP 21 2HB ASP 21 1.781 -3.956 5.146 153 H GLU 22 H GLU 22 -0.276 -5.066 3.057 154 HA GLU 22 HA GLU 22 -0.455 -7.530 4.592 155 HB2 GLU 22 1HB GLU 22 -2.666 -5.894 3.339 156 HB3 GLU 22 2HB GLU 22 -2.861 -7.190 4.511 157 HG2 GLU 22 1HG GLU 22 -1.984 -4.392 4.901 158 HG3 GLU 22 2HG GLU 22 -3.030 -5.404 5.896 159 H ARG 23 H ARG 23 -1.768 -6.410 1.466 160 HA ARG 23 HA ARG 23 -2.658 -8.772 0.442 161 HB2 ARG 23 1HB ARG 23 -2.830 -6.539 -0.660 162 HB3 ARG 23 2HB ARG 23 -1.148 -6.694 -1.150 163 HG2 ARG 23 1HG ARG 23 -1.890 -8.878 -2.279 164 HG3 ARG 23 2HG ARG 23 -3.528 -8.251 -2.082 165 HD2 ARG 23 1HD ARG 23 -3.019 -6.318 -3.393 166 HD3 ARG 23 2HD ARG 23 -1.304 -6.726 -3.423 167 HE ARG 23 HE ARG 23 -3.392 -7.846 -5.072 168 HH11 ARG 23 1HH1 ARG 23 -0.169 -8.235 -3.814 169 HH12 ARG 23 2HH1 ARG 23 0.335 -9.307 -5.079 170 HH21 ARG 23 1HH2 ARG 23 -2.740 -9.256 -6.742 171 HH22 ARG 23 2HH2 ARG 23 -1.128 -9.887 -6.744 172 H LYS 24 H LYS 24 0.675 -7.604 0.480 173 HA LYS 24 HA LYS 24 1.849 -9.557 -1.122 174 HB2 LYS 24 1HB LYS 24 3.922 -8.881 -0.224 175 HB3 LYS 24 2HB LYS 24 2.908 -7.446 -0.161 176 HG2 LYS 24 1HG LYS 24 2.710 -7.523 2.138 177 HG3 LYS 24 2HG LYS 24 3.101 -9.242 2.217 178 HD2 LYS 24 1HD LYS 24 5.181 -7.409 1.157 179 HD3 LYS 24 2HD LYS 24 4.848 -7.349 2.890 180 HE2 LYS 24 1HE LYS 24 5.426 -9.612 3.183 181 HE3 LYS 24 2HE LYS 24 5.357 -9.938 1.452 182 HZ1 LYS 24 3HZ LYS 24 7.634 -9.803 2.187 183 HZ2 LYS 24 1HZ LYS 24 7.380 -8.263 2.838 184 HZ3 LYS 24 2HZ LYS 24 7.298 -8.498 1.165 185 H ARG 25 H ARG 25 0.892 -9.645 2.251 186 HA ARG 25 HA ARG 25 2.174 -12.180 2.752 187 HB2 ARG 25 1HB ARG 25 1.630 -11.864 4.946 188 HB3 ARG 25 2HB ARG 25 1.520 -10.195 4.403 189 HG2 ARG 25 1HG ARG 25 -0.987 -10.881 3.940 190 HG3 ARG 25 2HG ARG 25 -0.629 -12.088 5.177 191 HD2 ARG 25 1HD ARG 25 0.148 -9.258 5.676 192 HD3 ARG 25 2HD ARG 25 -1.554 -9.700 5.808 193 HE ARG 25 HE ARG 25 -0.330 -11.578 7.307 194 HH11 ARG 25 1HH1 ARG 25 -0.147 -8.102 7.244 195 HH12 ARG 25 2HH1 ARG 25 0.208 -7.960 8.934 196 HH21 ARG 25 1HH2 ARG 25 0.136 -11.404 9.533 197 HH22 ARG 25 2HH2 ARG 25 0.369 -9.838 10.235 198 H LEU 26 H LEU 26 -0.751 -11.145 1.373 199 HA LEU 26 HA LEU 26 -2.304 -13.465 2.090 200 HB2 LEU 26 1HB LEU 26 -2.836 -11.398 -0.037 201 HB3 LEU 26 2HB LEU 26 -3.993 -12.556 0.615 202 HG LEU 26 HG LEU 26 -2.788 -10.180 2.025 203 HD11 LEU 26 1HD1 LEU 26 -5.318 -9.725 2.273 204 HD12 LEU 26 2HD1 LEU 26 -5.490 -10.861 0.936 205 HD13 LEU 26 3HD1 LEU 26 -4.538 -9.391 0.727 206 HD21 LEU 26 3HD2 LEU 26 -4.522 -12.400 3.099 207 HD22 LEU 26 1HD2 LEU 26 -4.247 -10.864 3.923 208 HD23 LEU 26 2HD2 LEU 26 -2.897 -11.959 3.626 209 H ALA 27 H ALA 27 -0.516 -12.326 -0.735 210 HA ALA 27 HA ALA 27 -1.271 -14.283 -2.567 211 HB1 ALA 27 3HB ALA 27 1.275 -13.815 -3.317 212 HB2 ALA 27 1HB ALA 27 -0.069 -12.725 -3.663 213 HB3 ALA 27 2HB ALA 27 0.988 -12.415 -2.284 214 H GLN 28 H GLN 28 1.464 -14.282 -0.290 215 HA GLN 28 HA GLN 28 2.394 -16.860 -1.013 216 HB2 GLN 28 1HB GLN 28 3.703 -16.723 1.096 217 HB3 GLN 28 2HB GLN 28 3.887 -15.307 0.069 218 HG2 GLN 28 1HG GLN 28 2.651 -13.956 1.487 219 HG3 GLN 28 2HG GLN 28 1.871 -15.328 2.274 220 HE21 GLN 28 1HE2 GLN 28 2.535 -14.096 4.204 221 HE22 GLN 28 2HE2 GLN 28 4.114 -14.378 4.847 222 H GLN 29 H GLN 29 0.180 -15.686 1.466 223 HA GLN 29 HA GLN 29 -0.100 -18.150 2.836 224 HB2 GLN 29 1HB GLN 29 -1.555 -15.557 2.785 225 HB3 GLN 29 2HB GLN 29 -2.404 -16.948 3.444 226 HG2 GLN 29 1HG GLN 29 -0.364 -17.297 4.918 227 HG3 GLN 29 2HG GLN 29 0.133 -15.681 4.418 228 HE21 GLN 29 1HE2 GLN 29 -0.186 -14.430 6.125 229 HE22 GLN 29 2HE2 GLN 29 -1.653 -14.315 7.030 230 H ASN 30 H ASN 30 -1.677 -16.744 0.047 231 HA ASN 30 HA ASN 30 -3.097 -19.284 -0.355 232 HB2 ASN 30 1HB ASN 30 -4.275 -16.529 -0.782 233 HB3 ASN 30 2HB ASN 30 -5.059 -18.048 -1.206 234 HD21 ASN 30 1HD2 ASN 30 -4.935 -15.683 1.040 235 HD22 ASN 30 2HD2 ASN 30 -5.528 -16.546 2.415 236 HA PRO 31 HA PRO 31 -0.612 -18.245 -4.086 237 HB2 PRO 31 1HB PRO 31 0.071 -20.820 -4.605 238 HB3 PRO 31 2HB PRO 31 0.967 -19.798 -3.476 239 HG2 PRO 31 1HG PRO 31 -1.109 -21.879 -2.909 240 HG3 PRO 31 2HG PRO 31 0.425 -21.573 -2.074 241 HD2 PRO 31 1HD PRO 31 -1.956 -20.719 -1.108 242 HD3 PRO 31 2HD PRO 31 -0.445 -19.822 -0.853 243 H ASP 32 H ASP 32 -3.462 -19.909 -3.421 244 HA ASP 32 HA ASP 32 -3.955 -20.468 -6.268 245 HB2 ASP 32 1HB ASP 32 -4.912 -21.708 -3.740 246 HB3 ASP 32 2HB ASP 32 -6.046 -21.653 -5.087 247 H LEU 33 H LEU 33 -4.727 -18.364 -3.718 248 HA LEU 33 HA LEU 33 -7.310 -17.587 -4.796 249 HB2 LEU 33 1HB LEU 33 -5.674 -16.631 -2.461 250 HB3 LEU 33 2HB LEU 33 -7.175 -15.853 -2.955 251 HG LEU 33 HG LEU 33 -6.829 -18.652 -1.892 252 HD11 LEU 33 1HD1 LEU 33 -8.713 -16.694 -0.730 253 HD12 LEU 33 2HD1 LEU 33 -6.994 -16.391 -0.478 254 HD13 LEU 33 3HD1 LEU 33 -7.708 -17.912 0.056 255 HD21 LEU 33 3HD2 LEU 33 -8.900 -17.517 -3.588 256 HD22 LEU 33 1HD2 LEU 33 -9.531 -18.137 -2.062 257 HD23 LEU 33 2HD2 LEU 33 -8.605 -19.194 -3.127 258 H HIS 34 H HIS 34 -7.782 -15.417 -5.468 259 HA HIS 34 HA HIS 34 -5.440 -14.027 -6.595 260 HB2 HIS 34 1HB HIS 34 -7.023 -13.211 -8.370 261 HB3 HIS 34 2HB HIS 34 -6.718 -14.946 -8.402 262 HD1 HIS 34 1HD HIS 34 -9.405 -12.444 -7.972 263 HD2 HIS 34 2HD HIS 34 -8.918 -16.548 -7.549 264 HE1 HIS 34 1HE HIS 34 -11.732 -13.385 -7.819 265 HE2 HIS 34 2HE HIS 34 -11.410 -15.860 -7.478 266 H ASN 35 H ASN 35 -6.024 -11.657 -7.142 267 HA ASN 35 HA ASN 35 -6.192 -10.110 -4.976 268 HB2 ASN 35 1HB ASN 35 -7.248 -9.637 -7.744 269 HB3 ASN 35 2HB ASN 35 -7.458 -8.406 -6.502 270 HD21 ASN 35 1HD2 ASN 35 -5.627 -9.137 -9.011 271 HD22 ASN 35 2HD2 ASN 35 -4.106 -8.486 -8.515 272 H ALA 36 H ALA 36 -9.144 -10.507 -6.932 273 HA ALA 36 HA ALA 36 -11.045 -9.509 -5.355 274 HB1 ALA 36 3HB ALA 36 -12.381 -10.491 -6.829 275 HB2 ALA 36 1HB ALA 36 -11.001 -11.415 -7.424 276 HB3 ALA 36 2HB ALA 36 -12.024 -12.078 -6.148 277 H GLU 37 H GLU 37 -9.405 -12.574 -4.772 278 HA GLU 37 HA GLU 37 -11.034 -13.220 -2.486 279 HB2 GLU 37 1HB GLU 37 -8.477 -14.442 -3.535 280 HB3 GLU 37 2HB GLU 37 -9.397 -15.078 -2.179 281 HG2 GLU 37 1HG GLU 37 -10.817 -14.661 -4.749 282 HG3 GLU 37 2HG GLU 37 -9.687 -16.009 -4.629 283 H LEU 38 H LEU 38 -7.744 -12.030 -3.041 284 HA LEU 38 HA LEU 38 -6.880 -12.007 -0.382 285 HB2 LEU 38 1HB LEU 38 -6.073 -9.936 -2.396 286 HB3 LEU 38 2HB LEU 38 -5.115 -10.629 -1.089 287 HG LEU 38 HG LEU 38 -5.900 -11.963 -3.677 288 HD11 LEU 38 1HD1 LEU 38 -3.701 -10.348 -2.926 289 HD12 LEU 38 2HD1 LEU 38 -3.958 -11.219 -4.437 290 HD13 LEU 38 3HD1 LEU 38 -3.117 -12.004 -3.100 291 HD21 LEU 38 3HD2 LEU 38 -4.513 -13.071 -1.242 292 HD22 LEU 38 1HD2 LEU 38 -4.484 -13.841 -2.829 293 HD23 LEU 38 2HD2 LEU 38 -6.015 -13.634 -1.977 294 H SER 39 H SER 39 -8.396 -9.424 -2.302 295 HA SER 39 HA SER 39 -8.375 -7.342 -0.552 296 HB2 SER 39 1HB SER 39 -9.562 -7.712 -2.917 297 HB3 SER 39 2HB SER 39 -10.985 -7.867 -1.888 298 HG SER 39 HG SER 39 -10.324 -5.674 -2.680 299 H LYS 40 H LYS 40 -10.930 -9.826 -0.680 300 HA LYS 40 HA LYS 40 -12.601 -9.125 1.290 301 HB2 LYS 40 1HB LYS 40 -11.428 -11.858 0.780 302 HB3 LYS 40 2HB LYS 40 -12.754 -11.587 1.903 303 HG2 LYS 40 1HG LYS 40 -13.055 -10.519 -0.844 304 HG3 LYS 40 2HG LYS 40 -13.145 -12.268 -0.629 305 HD2 LYS 40 1HD LYS 40 -14.820 -11.777 1.236 306 HD3 LYS 40 2HD LYS 40 -14.888 -10.139 0.582 307 HE2 LYS 40 1HE LYS 40 -15.928 -10.807 -1.346 308 HE3 LYS 40 2HE LYS 40 -15.230 -12.425 -1.291 309 HZ1 LYS 40 3HZ LYS 40 -17.286 -11.500 0.632 310 HZ2 LYS 40 1HZ LYS 40 -16.766 -13.085 0.350 311 HZ3 LYS 40 2HZ LYS 40 -17.675 -12.273 -0.822 312 H MET 41 H MET 41 -9.303 -10.197 1.747 313 HA MET 41 HA MET 41 -9.595 -10.214 4.646 314 HB2 MET 41 1HB MET 41 -7.070 -10.652 3.055 315 HB3 MET 41 2HB MET 41 -7.380 -11.111 4.724 316 HG2 MET 41 1HG MET 41 -8.883 -12.821 4.066 317 HG3 MET 41 2HG MET 41 -8.901 -12.250 2.399 318 HE1 MET 41 3HE MET 41 -7.574 -14.839 1.049 319 HE2 MET 41 1HE MET 41 -8.012 -13.149 0.800 320 HE3 MET 41 2HE MET 41 -6.339 -13.666 0.590 321 H LEU 42 H LEU 42 -8.083 -8.327 2.092 322 HA LEU 42 HA LEU 42 -6.611 -6.604 3.803 323 HB2 LEU 42 1HB LEU 42 -7.586 -6.186 0.982 324 HB3 LEU 42 2HB LEU 42 -6.419 -5.160 1.814 325 HG LEU 42 HG LEU 42 -5.977 -8.078 1.191 326 HD11 LEU 42 1HD1 LEU 42 -6.192 -6.605 -0.827 327 HD12 LEU 42 2HD1 LEU 42 -4.631 -7.405 -0.647 328 HD13 LEU 42 3HD1 LEU 42 -4.800 -5.700 -0.230 329 HD21 LEU 42 3HD2 LEU 42 -3.985 -7.907 2.219 330 HD22 LEU 42 1HD2 LEU 42 -4.746 -6.563 3.071 331 HD23 LEU 42 2HD2 LEU 42 -3.725 -6.251 1.667 332 H GLY 43 H GLY 43 -9.919 -6.770 2.895 333 HA2 GLY 43 1HA GLY 43 -10.483 -3.989 3.484 334 HA3 GLY 43 2HA GLY 43 -11.657 -5.229 3.069 335 H LYS 44 H LYS 44 -11.188 -7.131 4.988 336 HA LYS 44 HA LYS 44 -12.625 -6.136 7.181 337 HB2 LYS 44 1HB LYS 44 -12.326 -8.291 8.179 338 HB3 LYS 44 2HB LYS 44 -12.523 -8.530 6.447 339 HG2 LYS 44 1HG LYS 44 -10.132 -8.827 6.188 340 HG3 LYS 44 2HG LYS 44 -9.888 -8.509 7.907 341 HD2 LYS 44 1HD LYS 44 -11.142 -10.493 8.490 342 HD3 LYS 44 2HD LYS 44 -11.534 -10.781 6.793 343 HE2 LYS 44 1HE LYS 44 -9.762 -12.233 7.181 344 HE3 LYS 44 2HE LYS 44 -8.979 -10.836 6.445 345 HZ1 LYS 44 3HZ LYS 44 -8.742 -11.884 9.134 346 HZ2 LYS 44 1HZ LYS 44 -8.859 -10.199 9.035 347 HZ3 LYS 44 2HZ LYS 44 -7.627 -11.011 8.209 348 H SER 45 H SER 45 -9.173 -6.643 6.684 349 HA SER 45 HA SER 45 -8.461 -6.014 9.389 350 HB2 SER 45 1HB SER 45 -6.894 -6.379 6.843 351 HB3 SER 45 2HB SER 45 -6.118 -5.827 8.327 352 HG SER 45 HG SER 45 -6.451 -7.745 9.241 353 H TRP 46 H TRP 46 -8.845 -4.235 6.413 354 HA TRP 46 HA TRP 46 -7.456 -1.892 7.186 355 HB2 TRP 46 1HB TRP 46 -7.980 -2.361 4.845 356 HB3 TRP 46 2HB TRP 46 -9.704 -2.251 5.192 357 HD1 TRP 46 HD TRP 46 -10.700 -0.018 4.476 358 HE1 TRP 46 1HE TRP 46 -9.854 2.402 4.242 359 HE3 TRP 46 3HE TRP 46 -5.893 -0.680 6.086 360 HZ2 TRP 46 2HZ TRP 46 -7.465 3.839 4.682 361 HZ3 TRP 46 3HZ TRP 46 -4.392 1.268 6.149 362 HH2 TRP 46 HH TRP 46 -5.163 3.480 5.460 363 H LYS 47 H LYS 47 -10.980 -2.230 6.764 364 HA LYS 47 HA LYS 47 -11.810 0.021 8.047 365 HB2 LYS 47 1HB LYS 47 -13.000 -2.675 7.671 366 HB3 LYS 47 2HB LYS 47 -13.778 -1.616 8.841 367 HG2 LYS 47 1HG LYS 47 -14.321 -0.027 7.219 368 HG3 LYS 47 2HG LYS 47 -13.164 -0.686 6.059 369 HD2 LYS 47 1HD LYS 47 -15.550 -2.237 7.039 370 HD3 LYS 47 2HD LYS 47 -15.612 -1.187 5.622 371 HE2 LYS 47 1HE LYS 47 -13.755 -2.489 4.631 372 HE3 LYS 47 2HE LYS 47 -13.809 -3.573 6.020 373 HZ1 LYS 47 3HZ LYS 47 -15.942 -4.323 5.417 374 HZ2 LYS 47 1HZ LYS 47 -15.044 -4.325 3.983 375 HZ3 LYS 47 2HZ LYS 47 -16.158 -3.087 4.282 376 H ALA 48 H ALA 48 -10.801 -3.007 9.534 377 HA ALA 48 HA ALA 48 -11.605 -2.509 12.161 378 HB1 ALA 48 3HB ALA 48 -9.336 -4.130 11.039 379 HB2 ALA 48 1HB ALA 48 -9.701 -4.068 12.764 380 HB3 ALA 48 2HB ALA 48 -10.899 -4.694 11.631 381 H LEU 49 H LEU 49 -8.711 -1.510 10.413 382 HA LEU 49 HA LEU 49 -7.159 -0.571 12.505 383 HB2 LEU 49 1HB LEU 49 -7.472 0.482 9.702 384 HB3 LEU 49 2HB LEU 49 -6.231 1.041 10.821 385 HG LEU 49 HG LEU 49 -6.492 -1.822 9.918 386 HD11 LEU 49 1HD1 LEU 49 -5.232 -1.434 8.098 387 HD12 LEU 49 2HD1 LEU 49 -4.286 -0.174 8.889 388 HD13 LEU 49 3HD1 LEU 49 -5.881 0.200 8.235 389 HD21 LEU 49 3HD2 LEU 49 -5.211 -1.925 11.809 390 HD22 LEU 49 1HD2 LEU 49 -4.595 -0.283 11.617 391 HD23 LEU 49 2HD2 LEU 49 -3.960 -1.586 10.612 392 H THR 50 H THR 50 -6.716 1.711 13.092 393 HA THR 50 HA THR 50 -9.241 3.209 13.338 394 HB THR 50 HB THR 50 -8.373 4.187 15.386 395 HG1 THR 50 1HG THR 50 -6.261 4.250 15.521 396 HG21 THR 50 3HG2 THR 50 -8.430 2.252 16.804 397 HG22 THR 50 1HG2 THR 50 -7.940 1.202 15.476 398 HG23 THR 50 2HG2 THR 50 -9.528 1.969 15.454 399 H LEU 51 H LEU 51 -9.071 5.560 13.398 400 HA LEU 51 HA LEU 51 -7.967 6.727 11.230 401 HB2 LEU 51 1HB LEU 51 -9.511 7.783 12.892 402 HB3 LEU 51 2HB LEU 51 -8.107 8.092 13.912 403 HG LEU 51 HG LEU 51 -9.082 9.961 12.355 404 HD11 LEU 51 1HD1 LEU 51 -6.579 9.435 13.536 405 HD12 LEU 51 2HD1 LEU 51 -7.272 10.997 13.101 406 HD13 LEU 51 3HD1 LEU 51 -6.262 10.128 11.946 407 HD21 LEU 51 3HD2 LEU 51 -8.811 8.364 10.357 408 HD22 LEU 51 1HD2 LEU 51 -7.098 8.770 10.450 409 HD23 LEU 51 2HD2 LEU 51 -8.290 10.039 10.166 410 H ALA 52 H ALA 52 -6.417 6.734 14.443 411 HA ALA 52 HA ALA 52 -4.043 7.973 13.757 412 HB1 ALA 52 3HB ALA 52 -4.831 7.345 16.064 413 HB2 ALA 52 1HB ALA 52 -4.235 5.717 15.739 414 HB3 ALA 52 2HB ALA 52 -3.116 7.081 15.749 415 H GLU 53 H GLU 53 -5.039 4.650 13.257 416 HA GLU 53 HA GLU 53 -2.439 3.704 12.518 417 HB2 GLU 53 1HB GLU 53 -5.193 2.530 12.118 418 HB3 GLU 53 2HB GLU 53 -3.700 1.701 11.700 419 HG2 GLU 53 1HG GLU 53 -4.505 2.605 14.455 420 HG3 GLU 53 2HG GLU 53 -4.564 0.953 13.844 421 H LYS 54 H LYS 54 -5.194 5.052 10.837 422 HA LYS 54 HA LYS 54 -4.122 4.433 8.220 423 HB2 LYS 54 1HB LYS 54 -6.454 6.221 8.920 424 HB3 LYS 54 2HB LYS 54 -6.093 5.522 7.347 425 HG2 LYS 54 1HG LYS 54 -6.540 3.301 8.192 426 HG3 LYS 54 2HG LYS 54 -6.806 3.946 9.813 427 HD2 LYS 54 1HD LYS 54 -8.795 5.017 9.181 428 HD3 LYS 54 2HD LYS 54 -8.422 4.883 7.461 429 HE2 LYS 54 1HE LYS 54 -8.821 2.535 7.480 430 HE3 LYS 54 2HE LYS 54 -8.910 2.502 9.240 431 HZ1 LYS 54 3HZ LYS 54 -10.859 4.157 8.836 432 HZ2 LYS 54 1HZ LYS 54 -11.112 2.492 8.674 433 HZ3 LYS 54 2HZ LYS 54 -10.896 3.453 7.298 434 H ARG 55 H ARG 55 -3.588 6.787 10.539 435 HA ARG 55 HA ARG 55 -3.336 9.148 9.085 436 HB2 ARG 55 1HB ARG 55 -2.984 8.512 11.668 437 HB3 ARG 55 2HB ARG 55 -1.299 8.598 11.173 438 HG2 ARG 55 1HG ARG 55 -1.769 10.737 11.946 439 HG3 ARG 55 2HG ARG 55 -1.902 10.885 10.193 440 HD2 ARG 55 1HD ARG 55 -4.429 10.289 10.701 441 HD3 ARG 55 2HD ARG 55 -4.019 10.959 12.279 442 HE ARG 55 HE ARG 55 -3.298 12.594 10.000 443 HH11 ARG 55 1HH1 ARG 55 -5.664 11.874 12.450 444 HH12 ARG 55 2HH1 ARG 55 -6.430 13.425 12.351 445 HH21 ARG 55 1HH2 ARG 55 -4.297 14.640 9.861 446 HH22 ARG 55 2HH2 ARG 55 -5.652 14.998 10.878 447 HA PRO 56 HA PRO 56 1.258 7.841 8.234 448 HB2 PRO 56 1HB PRO 56 1.824 5.200 8.505 449 HB3 PRO 56 2HB PRO 56 1.994 6.359 9.828 450 HG2 PRO 56 1HG PRO 56 -0.235 4.442 9.264 451 HG3 PRO 56 2HG PRO 56 0.540 4.833 10.810 452 HD2 PRO 56 1HD PRO 56 -1.842 5.885 10.067 453 HD3 PRO 56 2HD PRO 56 -0.680 6.771 11.075 454 H PHE 57 H PHE 57 -1.429 5.751 7.440 455 HA PHE 57 HA PHE 57 -0.269 5.139 4.823 456 HB2 PHE 57 1HB PHE 57 -2.866 4.106 5.966 457 HB3 PHE 57 2HB PHE 57 -1.963 3.459 4.600 458 HD1 PHE 57 1HD PHE 57 0.568 2.835 5.242 459 HD2 PHE 57 2HD PHE 57 -2.723 2.957 7.937 460 HE1 PHE 57 1HE PHE 57 1.753 1.296 6.753 461 HE2 PHE 57 2HE PHE 57 -1.544 1.420 9.453 462 HZ PHE 57 HZ PHE 57 0.698 0.588 8.863 463 H VAL 58 H VAL 58 -2.276 7.394 6.260 464 HA VAL 58 HA VAL 58 -3.913 7.827 3.877 465 HB VAL 58 HB VAL 58 -3.999 8.942 6.665 466 HG11 VAL 58 1HG1 VAL 58 -4.288 10.854 5.207 467 HG12 VAL 58 2HG1 VAL 58 -5.499 9.984 4.263 468 HG13 VAL 58 3HG1 VAL 58 -5.832 10.421 5.940 469 HG21 VAL 58 3HG2 VAL 58 -5.767 7.601 6.936 470 HG22 VAL 58 1HG2 VAL 58 -6.462 8.063 5.382 471 HG23 VAL 58 2HG2 VAL 58 -5.235 6.799 5.458 472 H GLU 59 H GLU 59 -1.290 9.271 5.695 473 HA GLU 59 HA GLU 59 -1.310 11.713 4.153 474 HB2 GLU 59 1HB GLU 59 0.818 10.701 6.044 475 HB3 GLU 59 2HB GLU 59 0.618 12.349 5.466 476 HG2 GLU 59 1HG GLU 59 -1.624 11.069 6.941 477 HG3 GLU 59 2HG GLU 59 -0.216 11.628 7.842 478 H GLU 60 H GLU 60 -0.138 8.591 3.705 479 HA GLU 60 HA GLU 60 2.115 9.406 2.044 480 HB2 GLU 60 1HB GLU 60 2.647 7.519 3.334 481 HB3 GLU 60 2HB GLU 60 1.091 6.760 3.032 482 HG2 GLU 60 1HG GLU 60 1.709 5.982 0.971 483 HG3 GLU 60 2HG GLU 60 2.917 7.244 0.735 484 H ALA 61 H ALA 61 -0.908 7.559 1.706 485 HA ALA 61 HA ALA 61 -0.769 7.127 -1.050 486 HB1 ALA 61 3HB ALA 61 -2.526 6.462 0.948 487 HB2 ALA 61 1HB ALA 61 -3.479 7.551 -0.061 488 HB3 ALA 61 2HB ALA 61 -2.740 6.114 -0.768 489 H GLU 62 H GLU 62 -1.852 9.906 0.792 490 HA GLU 62 HA GLU 62 -3.217 11.275 -1.238 491 HB2 GLU 62 1HB GLU 62 -3.480 12.050 0.989 492 HB3 GLU 62 2HB GLU 62 -1.745 12.226 1.212 493 HG2 GLU 62 1HG GLU 62 -1.652 14.201 0.056 494 HG3 GLU 62 2HG GLU 62 -3.094 13.840 -0.891 495 H ARG 63 H ARG 63 0.200 11.099 -0.431 496 HA ARG 63 HA ARG 63 1.008 13.166 -2.229 497 HB2 ARG 63 1HB ARG 63 2.635 10.934 -0.997 498 HB3 ARG 63 2HB ARG 63 3.286 12.360 -1.795 499 HG2 ARG 63 1HG ARG 63 2.545 13.787 -0.076 500 HG3 ARG 63 2HG ARG 63 1.505 12.540 0.615 501 HD2 ARG 63 1HD ARG 63 3.310 12.496 2.050 502 HD3 ARG 63 2HD ARG 63 3.732 11.226 0.903 503 HE ARG 63 HE ARG 63 4.900 13.425 -0.153 504 HH11 ARG 63 1HH1 ARG 63 4.970 11.959 3.004 505 HH12 ARG 63 2HH1 ARG 63 6.578 12.496 3.361 506 HH21 ARG 63 1HH2 ARG 63 7.018 14.137 0.306 507 HH22 ARG 63 2HH2 ARG 63 7.741 13.735 1.826 508 H LEU 64 H LEU 64 0.763 9.654 -2.410 509 HA LEU 64 HA LEU 64 2.067 9.354 -4.903 510 HB2 LEU 64 1HB LEU 64 -0.085 7.566 -3.797 511 HB3 LEU 64 2HB LEU 64 1.200 7.137 -4.925 512 HG LEU 64 HG LEU 64 1.614 7.881 -2.030 513 HD11 LEU 64 1HD1 LEU 64 0.810 5.818 -1.673 514 HD12 LEU 64 2HD1 LEU 64 2.378 5.290 -2.282 515 HD13 LEU 64 3HD1 LEU 64 0.986 5.344 -3.362 516 HD21 LEU 64 3HD2 LEU 64 3.835 6.569 -2.793 517 HD22 LEU 64 1HD2 LEU 64 3.668 8.324 -2.850 518 HD23 LEU 64 2HD2 LEU 64 3.413 7.366 -4.309 519 H ARG 65 H ARG 65 -1.327 9.790 -4.000 520 HA ARG 65 HA ARG 65 -2.466 9.421 -6.526 521 HB2 ARG 65 1HB ARG 65 -3.883 9.485 -4.600 522 HB3 ARG 65 2HB ARG 65 -3.336 11.102 -4.177 523 HG2 ARG 65 1HG ARG 65 -4.322 11.674 -6.560 524 HG3 ARG 65 2HG ARG 65 -5.289 10.234 -6.233 525 HD2 ARG 65 1HD ARG 65 -5.613 11.443 -3.896 526 HD3 ARG 65 2HD ARG 65 -5.277 12.874 -4.870 527 HE ARG 65 HE ARG 65 -7.333 12.646 -5.852 528 HH11 ARG 65 1HH1 ARG 65 -6.518 9.690 -4.203 529 HH12 ARG 65 2HH1 ARG 65 -8.083 8.981 -4.425 530 HH21 ARG 65 1HH2 ARG 65 -9.398 11.724 -6.151 531 HH22 ARG 65 2HH2 ARG 65 -9.720 10.139 -5.534 532 H VAL 66 H VAL 66 -1.651 12.500 -4.914 533 HA VAL 66 HA VAL 66 -2.197 14.173 -7.076 534 HB VAL 66 HB VAL 66 -0.710 15.820 -5.983 535 HG11 VAL 66 1HG1 VAL 66 -2.896 14.386 -4.642 536 HG12 VAL 66 2HG1 VAL 66 -1.899 15.388 -3.586 537 HG13 VAL 66 3HG1 VAL 66 -2.705 16.106 -4.982 538 HG21 VAL 66 3HG2 VAL 66 -0.110 13.601 -4.029 539 HG22 VAL 66 1HG2 VAL 66 1.013 14.216 -5.242 540 HG23 VAL 66 2HG2 VAL 66 0.461 15.268 -3.939 541 H GLN 67 H GLN 67 0.601 12.214 -6.365 542 HA GLN 67 HA GLN 67 2.420 13.457 -8.134 543 HB2 GLN 67 1HB GLN 67 2.267 10.741 -6.865 544 HB3 GLN 67 2HB GLN 67 3.507 11.097 -8.060 545 HG2 GLN 67 1HG GLN 67 4.589 12.593 -6.696 546 HG3 GLN 67 2HG GLN 67 3.144 12.938 -5.748 547 HE21 GLN 67 1HE2 GLN 67 3.731 12.449 -3.736 548 HE22 GLN 67 2HE2 GLN 67 4.361 10.924 -3.224 549 H HIS 68 H HIS 68 -0.295 11.459 -8.669 550 HA HIS 68 HA HIS 68 0.613 10.584 -11.297 551 HB2 HIS 68 1HB HIS 68 -0.630 9.004 -9.864 552 HB3 HIS 68 2HB HIS 68 -2.017 10.089 -9.883 553 HD1 HIS 68 1HD HIS 68 -0.008 7.877 -12.194 554 HD2 HIS 68 2HD HIS 68 -3.678 9.818 -12.050 555 HE1 HIS 68 1HE HIS 68 -1.288 7.043 -14.191 556 HE2 HIS 68 2HE HIS 68 -3.472 8.295 -14.131 557 H MET 69 H MET 69 -1.692 12.796 -9.827 558 HA MET 69 HA MET 69 -2.977 13.517 -12.271 559 HB2 MET 69 1HB MET 69 -2.883 14.872 -9.572 560 HB3 MET 69 2HB MET 69 -3.873 15.430 -10.914 561 HG2 MET 69 1HG MET 69 -4.775 12.974 -10.868 562 HG3 MET 69 2HG MET 69 -4.172 13.009 -9.213 563 HE1 MET 69 3HE MET 69 -5.627 13.035 -7.661 564 HE2 MET 69 1HE MET 69 -5.607 14.733 -7.182 565 HE3 MET 69 2HE MET 69 -7.143 13.921 -7.488 566 H GLN 70 H GLN 70 -0.307 14.833 -10.382 567 HA GLN 70 HA GLN 70 0.009 17.253 -11.761 568 HB2 GLN 70 1HB GLN 70 2.252 17.310 -10.824 569 HB3 GLN 70 2HB GLN 70 1.106 16.750 -9.614 570 HG2 GLN 70 1HG GLN 70 1.799 14.444 -10.021 571 HG3 GLN 70 2HG GLN 70 2.950 15.007 -11.232 572 HE21 GLN 70 1HE2 GLN 70 4.941 15.417 -10.582 573 HE22 GLN 70 2HE2 GLN 70 5.447 15.637 -8.945 574 H ASP 71 H ASP 71 1.281 14.024 -12.393 575 HA ASP 71 HA ASP 71 3.100 14.642 -14.410 576 HB2 ASP 71 1HB ASP 71 2.642 12.387 -13.244 577 HB3 ASP 71 2HB ASP 71 1.398 12.159 -14.471 578 H HIS 72 H HIS 72 -0.389 14.187 -14.544 579 HA HIS 72 HA HIS 72 -0.383 15.367 -17.223 580 HB2 HIS 72 1HB HIS 72 -2.333 13.659 -17.682 581 HB3 HIS 72 2HB HIS 72 -0.655 13.190 -17.939 582 HD1 HIS 72 1HD HIS 72 -3.607 12.520 -15.773 583 HD2 HIS 72 2HD HIS 72 0.361 11.327 -16.082 584 HE1 HIS 72 1HE HIS 72 -3.393 10.503 -14.287 585 HE2 HIS 72 2HE HIS 72 -0.965 9.850 -14.424 586 HA PRO 73 HA PRO 73 -3.473 17.803 -15.144 587 HB2 PRO 73 1HB PRO 73 -4.047 19.400 -17.263 588 HB3 PRO 73 2HB PRO 73 -2.594 19.599 -16.276 589 HG2 PRO 73 1HG PRO 73 -2.912 18.249 -18.929 590 HG3 PRO 73 2HG PRO 73 -1.626 19.337 -18.374 591 HD2 PRO 73 1HD PRO 73 -1.330 16.646 -18.440 592 HD3 PRO 73 2HD PRO 73 -0.535 17.664 -17.222 593 H ASN 74 H ASN 74 -3.887 15.566 -17.616 594 HA ASN 74 HA ASN 74 -6.244 15.835 -18.825 595 HB2 ASN 74 1HB ASN 74 -4.981 13.486 -17.499 596 HB3 ASN 74 2HB ASN 74 -6.648 13.314 -18.039 597 HD21 ASN 74 1HD2 ASN 74 -3.428 14.267 -19.119 598 HD22 ASN 74 2HD2 ASN 74 -3.633 13.760 -20.758 599 H TYR 75 H TYR 75 -5.909 14.978 -15.398 600 HA TYR 75 HA TYR 75 -8.582 14.613 -14.764 601 HB2 TYR 75 1HB TYR 75 -7.971 14.941 -12.486 602 HB3 TYR 75 2HB TYR 75 -6.577 14.210 -13.273 603 HD1 TYR 75 2HD TYR 75 -4.638 15.692 -13.922 604 HD2 TYR 75 1HD TYR 75 -7.799 17.033 -11.411 605 HE1 TYR 75 2HE TYR 75 -3.216 17.534 -13.126 606 HE2 TYR 75 1HE TYR 75 -6.387 18.879 -10.608 607 HH TYR 75 HH TYR 75 -4.335 19.764 -10.610 608 H LYS 76 H LYS 76 -9.531 16.286 -12.958 609 HA LYS 76 HA LYS 76 -10.909 18.222 -14.161 610 HB2 LYS 76 1HB LYS 76 -11.112 17.673 -11.765 611 HB3 LYS 76 2HB LYS 76 -9.626 18.556 -11.442 612 HG2 LYS 76 1HG LYS 76 -11.374 20.003 -10.846 613 HG3 LYS 76 2HG LYS 76 -10.782 20.590 -12.401 614 HD2 LYS 76 1HD LYS 76 -13.072 20.638 -12.710 615 HD3 LYS 76 2HD LYS 76 -12.646 19.063 -13.384 616 HE2 LYS 76 1HE LYS 76 -13.533 17.910 -11.589 617 HE3 LYS 76 2HE LYS 76 -13.383 19.287 -10.498 618 HZ1 LYS 76 3HZ LYS 76 -15.696 18.605 -11.398 619 HZ2 LYS 76 1HZ LYS 76 -15.221 19.443 -12.788 620 HZ3 LYS 76 2HZ LYS 76 -15.294 20.245 -11.301 621 H SER 77 H SER 77 -7.923 19.112 -12.422 622 HA SER 77 HA SER 77 -6.366 20.728 -12.800 623 HB2 SER 77 1HB SER 77 -7.218 19.954 -15.548 624 HB3 SER 77 2HB SER 77 -6.260 21.425 -15.374 625 HG SER 77 HG SER 77 -4.666 20.039 -15.403 626 H GLY 78 H GLY 78 -9.068 21.473 -12.076 627 HA2 GLY 78 1HA GLY 78 -9.145 24.179 -13.264 628 HA3 GLY 78 2HA GLY 78 -10.597 23.292 -12.826 629 HA PRO 79 HA PRO 79 -9.818 26.054 -9.276 630 HB2 PRO 79 1HB PRO 79 -12.444 26.311 -8.636 631 HB3 PRO 79 2HB PRO 79 -11.658 27.292 -9.879 632 HG2 PRO 79 1HG PRO 79 -13.362 24.850 -10.190 633 HG3 PRO 79 2HG PRO 79 -13.377 26.353 -11.131 634 HD2 PRO 79 1HD PRO 79 -12.163 24.097 -12.008 635 HD3 PRO 79 2HD PRO 79 -11.565 25.720 -12.408 636 H SER 80 H SER 80 -9.036 24.914 -7.609 637 HA SER 80 HA SER 80 -10.454 22.560 -6.642 638 HB2 SER 80 1HB SER 80 -7.794 23.736 -5.799 639 HB3 SER 80 2HB SER 80 -8.456 22.201 -5.239 640 HG SER 80 HG SER 80 -7.139 22.774 -7.540 641 H SER 81 H SER 81 -11.171 22.303 -4.514 642 HA SER 81 HA SER 81 -11.531 24.822 -3.025 643 HB2 SER 81 1HB SER 81 -13.639 23.952 -3.994 644 HB3 SER 81 2HB SER 81 -13.407 22.446 -3.105 645 HG SER 81 HG SER 81 -14.792 23.886 -1.994 646 H GLY 82 H GLY 82 -11.876 24.513 -0.659 647 HA2 GLY 82 1HA GLY 82 -11.620 22.839 1.183 648 HA3 GLY 82 2HA GLY 82 -10.187 22.295 0.323 Start of MODEL 16 1 H1 GLY 1 H GLY 1 20.342 -9.275 -3.284 2 HA2 GLY 1 1HA GLY 1 21.754 -7.193 -4.825 3 HA3 GLY 1 2HA GLY 1 22.196 -8.893 -4.801 4 H SER 2 H SER 2 19.083 -7.243 -5.310 5 HA SER 2 HA SER 2 18.618 -8.936 -7.636 6 HB2 SER 2 1HB SER 2 16.803 -8.724 -6.013 7 HB3 SER 2 2HB SER 2 16.801 -6.972 -6.217 8 HG SER 2 HG SER 2 15.298 -7.512 -7.628 9 H SER 3 H SER 3 18.239 -8.171 -9.705 10 HA SER 3 HA SER 3 18.873 -5.332 -10.172 11 HB2 SER 3 1HB SER 3 20.765 -6.900 -10.752 12 HB3 SER 3 2HB SER 3 19.716 -7.603 -11.982 13 HG SER 3 HG SER 3 20.175 -4.826 -11.902 14 H GLY 4 H GLY 4 17.654 -4.265 -11.664 15 HA2 GLY 4 1HA GLY 4 16.264 -5.083 -13.814 16 HA3 GLY 4 2HA GLY 4 15.208 -5.580 -12.500 17 H SER 5 H SER 5 13.593 -4.199 -12.261 18 HA SER 5 HA SER 5 14.118 -1.393 -11.866 19 HB2 SER 5 1HB SER 5 13.963 -1.551 -14.338 20 HB3 SER 5 2HB SER 5 12.348 -2.239 -14.173 21 HG SER 5 HG SER 5 11.583 -0.329 -13.487 22 H SER 6 H SER 6 12.334 -0.263 -10.965 23 HA SER 6 HA SER 6 9.934 -1.798 -10.348 24 HB2 SER 6 1HB SER 6 11.502 -2.306 -8.505 25 HB3 SER 6 2HB SER 6 11.664 -0.580 -8.180 26 HG SER 6 HG SER 6 9.891 -2.184 -7.165 27 H GLY 7 H GLY 7 8.235 -0.460 -9.360 28 HA2 GLY 7 1HA GLY 7 7.955 2.059 -8.732 29 HA3 GLY 7 2HA GLY 7 8.381 2.270 -10.424 30 H ILE 8 H ILE 8 5.874 2.739 -8.745 31 HA ILE 8 HA ILE 8 3.930 0.979 -9.961 32 HB ILE 8 HB ILE 8 3.353 3.489 -8.396 33 HG12 ILE 8 1HG1 ILE 8 3.416 0.766 -7.147 34 HG13 ILE 8 2HG1 ILE 8 4.912 1.679 -7.310 35 HG21 ILE 8 1HG2 ILE 8 1.411 2.683 -9.481 36 HG22 ILE 8 2HG2 ILE 8 1.779 1.013 -9.055 37 HG23 ILE 8 3HG2 ILE 8 1.292 2.155 -7.803 38 HD11 ILE 8 3HD1 ILE 8 3.761 1.911 -5.112 39 HD12 ILE 8 1HD1 ILE 8 4.076 3.433 -5.945 40 HD13 ILE 8 2HD1 ILE 8 2.453 2.744 -5.952 41 H ARG 9 H ARG 9 2.219 1.670 -11.333 42 HA ARG 9 HA ARG 9 3.030 3.835 -13.130 43 HB2 ARG 9 1HB ARG 9 1.289 1.414 -13.424 44 HB3 ARG 9 2HB ARG 9 1.084 2.771 -14.523 45 HG2 ARG 9 1HG ARG 9 3.805 1.632 -14.094 46 HG3 ARG 9 2HG ARG 9 2.660 0.797 -15.146 47 HD2 ARG 9 1HD ARG 9 2.447 2.730 -16.549 48 HD3 ARG 9 2HD ARG 9 3.403 3.703 -15.431 49 HE ARG 9 HE ARG 9 4.389 1.922 -17.440 50 HH11 ARG 9 1HH1 ARG 9 5.076 3.340 -14.336 51 HH12 ARG 9 2HH1 ARG 9 6.794 3.185 -14.499 52 HH21 ARG 9 1HH2 ARG 9 6.649 1.713 -17.668 53 HH22 ARG 9 2HH2 ARG 9 7.688 2.261 -16.396 54 H ARG 10 H ARG 10 0.279 2.714 -11.215 55 HA ARG 10 HA ARG 10 -1.003 5.332 -11.644 56 HB2 ARG 10 1HB ARG 10 -2.123 2.582 -11.270 57 HB3 ARG 10 2HB ARG 10 -3.066 3.972 -10.749 58 HG2 ARG 10 1HG ARG 10 -3.777 3.429 -12.938 59 HG3 ARG 10 2HG ARG 10 -2.805 4.896 -13.065 60 HD2 ARG 10 1HD ARG 10 -2.085 3.536 -14.837 61 HD3 ARG 10 2HD ARG 10 -0.847 3.359 -13.594 62 HE ARG 10 HE ARG 10 -1.456 1.154 -13.330 63 HH11 ARG 10 1HH1 ARG 10 -3.796 2.802 -15.312 64 HH12 ARG 10 2HH1 ARG 10 -4.604 1.348 -15.796 65 HH21 ARG 10 1HH2 ARG 10 -2.511 -0.768 -13.960 66 HH22 ARG 10 2HH2 ARG 10 -3.873 -0.682 -15.025 67 HA PRO 11 HA PRO 11 -0.645 6.285 -7.376 68 HB2 PRO 11 1HB PRO 11 -2.956 7.634 -6.920 69 HB3 PRO 11 2HB PRO 11 -1.620 8.309 -7.860 70 HG2 PRO 11 1HG PRO 11 -4.143 7.012 -8.816 71 HG3 PRO 11 2HG PRO 11 -3.335 8.470 -9.422 72 HD2 PRO 11 1HD PRO 11 -3.108 6.065 -10.644 73 HD3 PRO 11 2HD PRO 11 -1.798 7.264 -10.644 74 H MET 12 H MET 12 -1.622 5.980 -5.243 75 HA MET 12 HA MET 12 -3.730 3.938 -5.161 76 HB2 MET 12 1HB MET 12 -1.473 3.696 -3.231 77 HB3 MET 12 2HB MET 12 -2.522 2.449 -3.892 78 HG2 MET 12 1HG MET 12 -1.270 3.075 -6.127 79 HG3 MET 12 2HG MET 12 -0.033 3.624 -4.998 80 HE1 MET 12 3HE MET 12 1.351 0.752 -3.297 81 HE2 MET 12 1HE MET 12 0.686 2.370 -3.072 82 HE3 MET 12 2HE MET 12 -0.243 0.958 -2.569 83 H ASN 13 H ASN 13 -4.805 3.768 -3.084 84 HA ASN 13 HA ASN 13 -4.826 6.350 -1.688 85 HB2 ASN 13 1HB ASN 13 -7.048 5.309 -0.763 86 HB3 ASN 13 2HB ASN 13 -7.002 5.973 -2.394 87 HD21 ASN 13 1HD2 ASN 13 -6.945 3.033 -0.499 88 HD22 ASN 13 2HD2 ASN 13 -7.453 1.978 -1.770 89 H ALA 14 H ALA 14 -5.789 5.938 0.694 90 HA ALA 14 HA ALA 14 -3.716 4.987 2.249 91 HB1 ALA 14 3HB ALA 14 -5.378 4.943 4.115 92 HB2 ALA 14 1HB ALA 14 -5.348 6.448 3.197 93 HB3 ALA 14 2HB ALA 14 -6.637 5.275 2.926 94 H PHE 15 H PHE 15 -6.678 3.296 1.267 95 HA PHE 15 HA PHE 15 -6.203 0.926 2.706 96 HB2 PHE 15 1HB PHE 15 -8.402 1.252 1.906 97 HB3 PHE 15 2HB PHE 15 -7.848 1.547 0.261 98 HD1 PHE 15 1HD PHE 15 -8.333 -1.047 2.836 99 HD2 PHE 15 2HD PHE 15 -7.528 -0.230 -1.263 100 HE1 PHE 15 1HE PHE 15 -8.705 -3.418 2.293 101 HE2 PHE 15 2HE PHE 15 -7.899 -2.599 -1.812 102 HZ PHE 15 HZ PHE 15 -8.489 -4.197 -0.034 103 H MET 16 H MET 16 -5.574 1.717 -0.710 104 HA MET 16 HA MET 16 -4.432 -0.689 -1.481 105 HB2 MET 16 1HB MET 16 -3.870 2.126 -2.412 106 HB3 MET 16 2HB MET 16 -3.202 0.702 -3.197 107 HG2 MET 16 1HG MET 16 -5.598 -0.089 -3.465 108 HG3 MET 16 2HG MET 16 -6.073 1.543 -3.001 109 HE1 MET 16 3HE MET 16 -3.842 0.297 -6.810 110 HE2 MET 16 1HE MET 16 -2.867 0.601 -5.372 111 HE3 MET 16 2HE MET 16 -4.092 -0.667 -5.354 112 H VAL 17 H VAL 17 -2.718 2.246 -0.391 113 HA VAL 17 HA VAL 17 -0.143 1.253 -0.386 114 HB VAL 17 HB VAL 17 -1.317 3.189 1.615 115 HG11 VAL 17 1HG1 VAL 17 1.543 3.067 0.715 116 HG12 VAL 17 2HG1 VAL 17 0.858 3.881 2.123 117 HG13 VAL 17 3HG1 VAL 17 0.964 2.120 2.086 118 HG21 VAL 17 3HG2 VAL 17 0.073 4.673 -0.201 119 HG22 VAL 17 1HG2 VAL 17 -0.630 3.419 -1.223 120 HG23 VAL 17 2HG2 VAL 17 -1.673 4.430 -0.222 121 H TRP 18 H TRP 18 -2.196 1.515 2.523 122 HA TRP 18 HA TRP 18 -0.633 0.078 4.264 123 HB2 TRP 18 1HB TRP 18 -2.452 1.087 5.281 124 HB3 TRP 18 2HB TRP 18 -3.584 0.520 4.057 125 HD1 TRP 18 HD TRP 18 -2.036 -0.453 7.375 126 HE1 TRP 18 1HE TRP 18 -3.169 -2.595 8.241 127 HE3 TRP 18 3HE TRP 18 -4.730 -1.687 3.209 128 HZ2 TRP 18 2HZ TRP 18 -4.967 -4.550 7.284 129 HZ3 TRP 18 3HZ TRP 18 -6.130 -3.709 3.266 130 HH2 TRP 18 HH TRP 18 -6.245 -5.110 5.263 131 H ALA 19 H ALA 19 -2.759 -1.124 1.756 132 HA ALA 19 HA ALA 19 -2.742 -3.845 2.602 133 HB1 ALA 19 3HB ALA 19 -3.620 -2.380 0.169 134 HB2 ALA 19 1HB ALA 19 -3.386 -4.125 0.057 135 HB3 ALA 19 2HB ALA 19 -4.525 -3.460 1.229 136 H LYS 20 H LYS 20 -0.799 -1.946 0.348 137 HA LYS 20 HA LYS 20 0.602 -3.708 -1.093 138 HB2 LYS 20 1HB LYS 20 2.320 -2.163 -1.249 139 HB3 LYS 20 2HB LYS 20 0.986 -1.157 -0.698 140 HG2 LYS 20 1HG LYS 20 1.948 -1.760 1.675 141 HG3 LYS 20 2HG LYS 20 3.426 -2.039 0.750 142 HD2 LYS 20 1HD LYS 20 1.838 0.486 0.422 143 HD3 LYS 20 2HD LYS 20 3.014 0.309 1.726 144 HE2 LYS 20 1HE LYS 20 3.682 -0.177 -1.168 145 HE3 LYS 20 2HE LYS 20 3.857 1.398 -0.394 146 HZ1 LYS 20 3HZ LYS 20 5.398 -1.060 0.025 147 HZ2 LYS 20 1HZ LYS 20 5.205 -0.002 1.331 148 HZ3 LYS 20 2HZ LYS 20 5.934 0.540 -0.096 149 H ASP 21 H ASP 21 0.883 -3.293 2.376 150 HA ASP 21 HA ASP 21 3.073 -5.201 2.544 151 HB2 ASP 21 1HB ASP 21 2.875 -3.110 3.994 152 HB3 ASP 21 2HB ASP 21 1.590 -3.952 4.855 153 H GLU 22 H GLU 22 -0.310 -4.934 3.585 154 HA GLU 22 HA GLU 22 -0.501 -7.421 4.855 155 HB2 GLU 22 1HB GLU 22 -2.554 -5.678 3.505 156 HB3 GLU 22 2HB GLU 22 -2.986 -7.189 4.292 157 HG2 GLU 22 1HG GLU 22 -2.026 -4.638 5.488 158 HG3 GLU 22 2HG GLU 22 -3.388 -5.656 5.951 159 H ARG 23 H ARG 23 -1.606 -6.544 1.575 160 HA ARG 23 HA ARG 23 -2.457 -8.898 0.596 161 HB2 ARG 23 1HB ARG 23 -2.079 -6.631 -0.605 162 HB3 ARG 23 2HB ARG 23 -0.515 -7.301 -1.047 163 HG2 ARG 23 1HG ARG 23 -1.692 -9.222 -2.087 164 HG3 ARG 23 2HG ARG 23 -3.222 -8.410 -1.749 165 HD2 ARG 23 1HD ARG 23 -2.550 -6.525 -3.127 166 HD3 ARG 23 2HD ARG 23 -0.981 -7.275 -3.419 167 HE ARG 23 HE ARG 23 -3.462 -7.887 -4.722 168 HH11 ARG 23 1HH1 ARG 23 -0.347 -9.138 -3.799 169 HH12 ARG 23 2HH1 ARG 23 -0.314 -10.339 -5.047 170 HH21 ARG 23 1HH2 ARG 23 -3.431 -9.465 -6.369 171 HH22 ARG 23 2HH2 ARG 23 -2.068 -10.524 -6.509 172 H LYS 24 H LYS 24 0.956 -7.952 0.840 173 HA LYS 24 HA LYS 24 2.191 -10.074 -0.369 174 HB2 LYS 24 1HB LYS 24 3.063 -8.752 2.208 175 HB3 LYS 24 2HB LYS 24 4.095 -9.678 1.126 176 HG2 LYS 24 1HG LYS 24 2.632 -7.350 0.006 177 HG3 LYS 24 2HG LYS 24 4.014 -7.044 1.061 178 HD2 LYS 24 1HD LYS 24 4.908 -7.107 -1.112 179 HD3 LYS 24 2HD LYS 24 5.294 -8.682 -0.415 180 HE2 LYS 24 1HE LYS 24 3.676 -9.775 -1.686 181 HE3 LYS 24 2HE LYS 24 2.796 -8.284 -2.021 182 HZ1 LYS 24 3HZ LYS 24 5.299 -9.260 -3.240 183 HZ2 LYS 24 1HZ LYS 24 4.908 -7.614 -3.273 184 HZ3 LYS 24 2HZ LYS 24 3.879 -8.743 -4.000 185 H ARG 25 H ARG 25 1.043 -9.924 2.991 186 HA ARG 25 HA ARG 25 1.866 -12.554 3.663 187 HB2 ARG 25 1HB ARG 25 0.973 -12.141 5.729 188 HB3 ARG 25 2HB ARG 25 1.125 -10.488 5.151 189 HG2 ARG 25 1HG ARG 25 -1.300 -10.828 4.301 190 HG3 ARG 25 2HG ARG 25 -1.324 -12.167 5.450 191 HD2 ARG 25 1HD ARG 25 -0.375 -9.470 6.319 192 HD3 ARG 25 2HD ARG 25 -2.104 -9.793 6.193 193 HE ARG 25 HE ARG 25 -1.954 -11.221 8.009 194 HH11 ARG 25 1HH1 ARG 25 1.211 -10.168 7.012 195 HH12 ARG 25 2HH1 ARG 25 1.998 -10.751 8.442 196 HH21 ARG 25 1HH2 ARG 25 -0.930 -11.992 9.895 197 HH22 ARG 25 2HH2 ARG 25 0.779 -11.789 10.081 198 H LEU 26 H LEU 26 -0.971 -11.231 2.143 199 HA LEU 26 HA LEU 26 -2.672 -13.474 2.534 200 HB2 LEU 26 1HB LEU 26 -2.769 -11.381 0.368 201 HB3 LEU 26 2HB LEU 26 -4.078 -12.467 0.828 202 HG LEU 26 HG LEU 26 -2.956 -10.161 2.406 203 HD11 LEU 26 1HD1 LEU 26 -5.470 -9.597 2.350 204 HD12 LEU 26 2HD1 LEU 26 -5.541 -10.743 1.012 205 HD13 LEU 26 3HD1 LEU 26 -4.507 -9.319 0.898 206 HD21 LEU 26 3HD2 LEU 26 -4.463 -10.759 4.192 207 HD22 LEU 26 1HD2 LEU 26 -3.371 -12.107 3.872 208 HD23 LEU 26 2HD2 LEU 26 -5.034 -12.162 3.287 209 H ALA 27 H ALA 27 -0.584 -12.437 -0.141 210 HA ALA 27 HA ALA 27 -1.206 -14.401 -1.994 211 HB1 ALA 27 3HB ALA 27 1.419 -14.060 -2.489 212 HB2 ALA 27 1HB ALA 27 0.171 -12.910 -2.974 213 HB3 ALA 27 2HB ALA 27 1.100 -12.635 -1.499 214 H GLN 28 H GLN 28 1.303 -14.482 0.532 215 HA GLN 28 HA GLN 28 2.168 -17.115 -0.056 216 HB2 GLN 28 1HB GLN 28 3.283 -16.997 2.160 217 HB3 GLN 28 2HB GLN 28 3.623 -15.606 1.139 218 HG2 GLN 28 1HG GLN 28 2.342 -14.179 2.426 219 HG3 GLN 28 2HG GLN 28 1.405 -15.494 3.133 220 HE21 GLN 28 1HE2 GLN 28 1.944 -14.266 5.112 221 HE22 GLN 28 2HE2 GLN 28 3.424 -14.639 5.919 222 H GLN 29 H GLN 29 -0.234 -15.789 2.151 223 HA GLN 29 HA GLN 29 -0.752 -18.209 3.540 224 HB2 GLN 29 1HB GLN 29 -2.062 -15.550 3.309 225 HB3 GLN 29 2HB GLN 29 -3.047 -16.885 3.893 226 HG2 GLN 29 1HG GLN 29 -1.257 -17.317 5.602 227 HG3 GLN 29 2HG GLN 29 -0.522 -15.796 5.099 228 HE21 GLN 29 1HE2 GLN 29 -0.825 -14.665 6.948 229 HE22 GLN 29 2HE2 GLN 29 -2.376 -14.248 7.584 230 H ASN 30 H ASN 30 -1.985 -16.790 0.588 231 HA ASN 30 HA ASN 30 -3.486 -19.268 0.097 232 HB2 ASN 30 1HB ASN 30 -4.464 -16.463 -0.488 233 HB3 ASN 30 2HB ASN 30 -5.276 -17.943 -0.990 234 HD21 ASN 30 1HD2 ASN 30 -5.295 -15.566 1.237 235 HD22 ASN 30 2HD2 ASN 30 -6.073 -16.384 2.545 236 HA PRO 31 HA PRO 31 -0.589 -18.466 -3.386 237 HB2 PRO 31 1HB PRO 31 -0.013 -21.088 -3.785 238 HB3 PRO 31 2HB PRO 31 0.826 -20.091 -2.590 239 HG2 PRO 31 1HG PRO 31 -1.417 -22.035 -2.197 240 HG3 PRO 31 2HG PRO 31 0.042 -21.797 -1.217 241 HD2 PRO 31 1HD PRO 31 -2.369 -20.784 -0.513 242 HD3 PRO 31 2HD PRO 31 -0.840 -19.969 -0.123 243 H ASP 32 H ASP 32 -3.597 -19.900 -2.988 244 HA ASP 32 HA ASP 32 -3.832 -20.527 -5.854 245 HB2 ASP 32 1HB ASP 32 -4.440 -22.203 -3.902 246 HB3 ASP 32 2HB ASP 32 -5.945 -21.288 -3.883 247 H LEU 33 H LEU 33 -4.774 -18.340 -3.409 248 HA LEU 33 HA LEU 33 -7.150 -17.414 -4.787 249 HB2 LEU 33 1HB LEU 33 -5.708 -16.504 -2.310 250 HB3 LEU 33 2HB LEU 33 -7.091 -15.639 -2.979 251 HG LEU 33 HG LEU 33 -7.041 -18.407 -1.792 252 HD11 LEU 33 1HD1 LEU 33 -8.914 -16.235 -1.009 253 HD12 LEU 33 2HD1 LEU 33 -7.241 -16.143 -0.461 254 HD13 LEU 33 3HD1 LEU 33 -8.229 -17.543 -0.044 255 HD21 LEU 33 3HD2 LEU 33 -8.854 -17.232 -3.764 256 HD22 LEU 33 1HD2 LEU 33 -9.662 -17.856 -2.326 257 HD23 LEU 33 2HD2 LEU 33 -8.629 -18.916 -3.286 258 H HIS 34 H HIS 34 -7.402 -15.174 -5.455 259 HA HIS 34 HA HIS 34 -4.870 -13.975 -6.369 260 HB2 HIS 34 1HB HIS 34 -6.064 -13.194 -8.379 261 HB3 HIS 34 2HB HIS 34 -6.072 -14.951 -8.259 262 HD1 HIS 34 1HD HIS 34 -8.290 -12.030 -8.481 263 HD2 HIS 34 2HD HIS 34 -8.622 -16.051 -7.490 264 HE1 HIS 34 1HE HIS 34 -10.752 -12.541 -8.557 265 HE2 HIS 34 2HE HIS 34 -10.934 -14.957 -7.871 266 H ASN 35 H ASN 35 -5.271 -11.593 -7.050 267 HA ASN 35 HA ASN 35 -5.577 -9.956 -4.985 268 HB2 ASN 35 1HB ASN 35 -6.843 -8.395 -6.804 269 HB3 ASN 35 2HB ASN 35 -5.105 -8.676 -6.798 270 HD21 ASN 35 1HD2 ASN 35 -4.182 -9.801 -8.428 271 HD22 ASN 35 2HD2 ASN 35 -5.046 -10.399 -9.800 272 H ALA 36 H ALA 36 -8.387 -10.268 -7.149 273 HA ALA 36 HA ALA 36 -10.343 -9.177 -5.681 274 HB1 ALA 36 3HB ALA 36 -11.156 -11.791 -6.753 275 HB2 ALA 36 1HB ALA 36 -11.789 -10.178 -7.082 276 HB3 ALA 36 2HB ALA 36 -10.325 -10.733 -7.894 277 H GLU 37 H GLU 37 -8.998 -12.402 -5.137 278 HA GLU 37 HA GLU 37 -10.809 -13.028 -3.006 279 HB2 GLU 37 1HB GLU 37 -8.251 -14.306 -3.967 280 HB3 GLU 37 2HB GLU 37 -9.171 -14.924 -2.602 281 HG2 GLU 37 1HG GLU 37 -10.605 -14.486 -5.160 282 HG3 GLU 37 2HG GLU 37 -9.497 -15.853 -5.049 283 H LEU 38 H LEU 38 -7.508 -11.808 -3.241 284 HA LEU 38 HA LEU 38 -6.868 -11.953 -0.502 285 HB2 LEU 38 1HB LEU 38 -5.824 -9.894 -2.428 286 HB3 LEU 38 2HB LEU 38 -5.026 -10.541 -0.996 287 HG LEU 38 HG LEU 38 -5.467 -11.905 -3.643 288 HD11 LEU 38 1HD1 LEU 38 -3.373 -11.319 -4.064 289 HD12 LEU 38 2HD1 LEU 38 -2.826 -12.051 -2.556 290 HD13 LEU 38 3HD1 LEU 38 -3.367 -10.372 -2.575 291 HD21 LEU 38 3HD2 LEU 38 -4.245 -13.823 -2.528 292 HD22 LEU 38 1HD2 LEU 38 -5.933 -13.599 -2.070 293 HD23 LEU 38 2HD2 LEU 38 -4.648 -13.059 -0.990 294 H SER 39 H SER 39 -8.167 -9.295 -2.470 295 HA SER 39 HA SER 39 -8.228 -7.242 -0.689 296 HB2 SER 39 1HB SER 39 -9.256 -7.550 -3.135 297 HB3 SER 39 2HB SER 39 -10.750 -7.696 -2.210 298 HG SER 39 HG SER 39 -10.342 -5.530 -2.761 299 H LYS 40 H LYS 40 -10.807 -9.682 -1.026 300 HA LYS 40 HA LYS 40 -12.596 -8.974 0.837 301 HB2 LYS 40 1HB LYS 40 -11.445 -11.721 0.359 302 HB3 LYS 40 2HB LYS 40 -12.839 -11.441 1.394 303 HG2 LYS 40 1HG LYS 40 -12.932 -10.322 -1.347 304 HG3 LYS 40 2HG LYS 40 -13.072 -12.073 -1.169 305 HD2 LYS 40 1HD LYS 40 -14.861 -11.582 0.582 306 HD3 LYS 40 2HD LYS 40 -14.848 -9.929 -0.034 307 HE2 LYS 40 1HE LYS 40 -15.752 -10.532 -2.057 308 HE3 LYS 40 2HE LYS 40 -15.119 -12.176 -1.970 309 HZ1 LYS 40 3HZ LYS 40 -17.521 -11.050 -0.687 310 HZ2 LYS 40 1HZ LYS 40 -16.768 -12.415 -0.031 311 HZ3 LYS 40 2HZ LYS 40 -17.368 -12.458 -1.611 312 H MET 41 H MET 41 -9.350 -10.082 1.491 313 HA MET 41 HA MET 41 -9.845 -10.125 4.368 314 HB2 MET 41 1HB MET 41 -7.237 -10.670 2.953 315 HB3 MET 41 2HB MET 41 -7.684 -11.121 4.593 316 HG2 MET 41 1HG MET 41 -9.221 -12.755 3.811 317 HG3 MET 41 2HG MET 41 -9.070 -12.187 2.150 318 HE1 MET 41 3HE MET 41 -6.431 -13.796 0.571 319 HE2 MET 41 1HE MET 41 -7.824 -14.822 0.919 320 HE3 MET 41 2HE MET 41 -8.051 -13.099 0.619 321 H LEU 42 H LEU 42 -8.146 -8.276 1.918 322 HA LEU 42 HA LEU 42 -6.633 -6.649 3.663 323 HB2 LEU 42 1HB LEU 42 -7.635 -6.143 0.866 324 HB3 LEU 42 2HB LEU 42 -6.484 -5.110 1.713 325 HG LEU 42 HG LEU 42 -6.005 -8.002 0.998 326 HD11 LEU 42 1HD1 LEU 42 -4.312 -6.884 -0.576 327 HD12 LEU 42 2HD1 LEU 42 -5.300 -5.437 -0.379 328 HD13 LEU 42 3HD1 LEU 42 -6.010 -6.903 -1.054 329 HD21 LEU 42 3HD2 LEU 42 -3.666 -6.420 1.492 330 HD22 LEU 42 1HD2 LEU 42 -4.204 -7.898 2.289 331 HD23 LEU 42 2HD2 LEU 42 -4.756 -6.329 2.876 332 H GLY 43 H GLY 43 -9.945 -6.556 2.606 333 HA2 GLY 43 1HA GLY 43 -10.406 -3.826 3.388 334 HA3 GLY 43 2HA GLY 43 -11.629 -5.005 2.940 335 H LYS 44 H LYS 44 -11.505 -6.950 4.715 336 HA LYS 44 HA LYS 44 -12.801 -6.018 6.959 337 HB2 LYS 44 1HB LYS 44 -12.500 -8.208 7.915 338 HB3 LYS 44 2HB LYS 44 -12.757 -8.385 6.184 339 HG2 LYS 44 1HG LYS 44 -10.452 -8.823 5.803 340 HG3 LYS 44 2HG LYS 44 -10.034 -8.380 7.460 341 HD2 LYS 44 1HD LYS 44 -11.269 -10.291 8.308 342 HD3 LYS 44 2HD LYS 44 -11.782 -10.712 6.672 343 HE2 LYS 44 1HE LYS 44 -9.999 -12.133 6.951 344 HE3 LYS 44 2HE LYS 44 -9.208 -10.748 6.200 345 HZ1 LYS 44 3HZ LYS 44 -9.331 -10.606 9.074 346 HZ2 LYS 44 1HZ LYS 44 -8.025 -10.340 8.032 347 HZ3 LYS 44 2HZ LYS 44 -8.426 -11.915 8.500 348 H SER 45 H SER 45 -9.355 -6.491 6.448 349 HA SER 45 HA SER 45 -8.661 -5.962 9.188 350 HB2 SER 45 1HB SER 45 -7.085 -6.325 6.650 351 HB3 SER 45 2HB SER 45 -6.303 -5.774 8.132 352 HG SER 45 HG SER 45 -6.351 -7.748 8.824 353 H TRP 46 H TRP 46 -9.005 -4.116 6.251 354 HA TRP 46 HA TRP 46 -7.587 -1.809 7.100 355 HB2 TRP 46 1HB TRP 46 -8.068 -2.249 4.733 356 HB3 TRP 46 2HB TRP 46 -9.793 -2.075 5.044 357 HD1 TRP 46 HD TRP 46 -10.688 0.208 4.355 358 HE1 TRP 46 1HE TRP 46 -9.741 2.594 4.170 359 HE3 TRP 46 3HE TRP 46 -5.937 -0.674 6.025 360 HZ2 TRP 46 2HZ TRP 46 -7.302 3.926 4.666 361 HZ3 TRP 46 3HZ TRP 46 -4.359 1.210 6.139 362 HH2 TRP 46 HH TRP 46 -5.028 3.461 5.473 363 H LYS 47 H LYS 47 -11.102 -2.103 6.578 364 HA LYS 47 HA LYS 47 -11.929 0.139 7.894 365 HB2 LYS 47 1HB LYS 47 -13.164 -2.518 7.394 366 HB3 LYS 47 2HB LYS 47 -13.963 -1.469 8.557 367 HG2 LYS 47 1HG LYS 47 -15.035 -0.787 6.686 368 HG3 LYS 47 2HG LYS 47 -13.644 0.297 6.600 369 HD2 LYS 47 1HD LYS 47 -13.872 -0.625 4.439 370 HD3 LYS 47 2HD LYS 47 -12.523 -1.485 5.184 371 HE2 LYS 47 1HE LYS 47 -13.948 -3.367 5.686 372 HE3 LYS 47 2HE LYS 47 -15.363 -2.497 5.096 373 HZ1 LYS 47 3HZ LYS 47 -13.946 -2.370 2.926 374 HZ2 LYS 47 1HZ LYS 47 -14.838 -3.762 3.286 375 HZ3 LYS 47 2HZ LYS 47 -13.173 -3.725 3.581 376 H ALA 48 H ALA 48 -10.787 -2.839 9.292 377 HA ALA 48 HA ALA 48 -11.749 -2.412 11.928 378 HB1 ALA 48 3HB ALA 48 -10.068 -4.126 12.563 379 HB2 ALA 48 1HB ALA 48 -11.120 -4.623 11.237 380 HB3 ALA 48 2HB ALA 48 -9.469 -4.097 10.905 381 H LEU 49 H LEU 49 -8.807 -1.493 10.231 382 HA LEU 49 HA LEU 49 -7.249 -0.687 12.395 383 HB2 LEU 49 1HB LEU 49 -7.401 0.335 9.570 384 HB3 LEU 49 2HB LEU 49 -6.196 0.895 10.728 385 HG LEU 49 HG LEU 49 -6.496 -1.977 9.858 386 HD11 LEU 49 1HD1 LEU 49 -4.098 -0.713 8.945 387 HD12 LEU 49 2HD1 LEU 49 -5.499 0.190 8.371 388 HD13 LEU 49 3HD1 LEU 49 -5.353 -1.531 8.014 389 HD21 LEU 49 3HD2 LEU 49 -5.427 -1.925 11.949 390 HD22 LEU 49 1HD2 LEU 49 -4.500 -0.482 11.534 391 HD23 LEU 49 2HD2 LEU 49 -4.118 -2.025 10.770 392 H THR 50 H THR 50 -6.762 1.469 13.163 393 HA THR 50 HA THR 50 -9.190 3.100 13.364 394 HB THR 50 HB THR 50 -7.993 4.204 15.278 395 HG1 THR 50 1HG THR 50 -5.884 3.180 14.347 396 HG21 THR 50 3HG2 THR 50 -8.170 1.225 15.667 397 HG22 THR 50 1HG2 THR 50 -9.600 2.236 15.467 398 HG23 THR 50 2HG2 THR 50 -8.515 2.503 16.831 399 H LEU 51 H LEU 51 -8.581 5.535 13.801 400 HA LEU 51 HA LEU 51 -7.724 6.633 11.393 401 HB2 LEU 51 1HB LEU 51 -9.119 7.833 12.982 402 HB3 LEU 51 2HB LEU 51 -7.785 7.890 14.133 403 HG LEU 51 HG LEU 51 -8.367 9.994 12.733 404 HD11 LEU 51 1HD1 LEU 51 -6.142 9.157 14.062 405 HD12 LEU 51 2HD1 LEU 51 -6.364 10.764 13.369 406 HD13 LEU 51 3HD1 LEU 51 -5.490 9.527 12.465 407 HD21 LEU 51 3HD2 LEU 51 -6.843 8.322 10.744 408 HD22 LEU 51 1HD2 LEU 51 -7.010 10.074 10.629 409 HD23 LEU 51 2HD2 LEU 51 -8.441 9.045 10.549 410 H ALA 52 H ALA 52 -5.976 6.614 14.505 411 HA ALA 52 HA ALA 52 -3.596 7.724 13.631 412 HB1 ALA 52 3HB ALA 52 -3.263 5.579 15.600 413 HB2 ALA 52 1HB ALA 52 -2.853 7.292 15.702 414 HB3 ALA 52 2HB ALA 52 -4.508 6.761 16.005 415 H GLU 53 H GLU 53 -4.853 4.526 13.136 416 HA GLU 53 HA GLU 53 -2.351 3.332 12.403 417 HB2 GLU 53 1HB GLU 53 -5.226 2.482 12.193 418 HB3 GLU 53 2HB GLU 53 -3.951 1.549 11.422 419 HG2 GLU 53 1HG GLU 53 -3.928 2.239 14.344 420 HG3 GLU 53 2HG GLU 53 -4.674 0.776 13.704 421 H LYS 54 H LYS 54 -4.996 4.901 10.714 422 HA LYS 54 HA LYS 54 -3.894 4.262 8.106 423 HB2 LYS 54 1HB LYS 54 -6.200 6.098 8.770 424 HB3 LYS 54 2HB LYS 54 -5.821 5.397 7.202 425 HG2 LYS 54 1HG LYS 54 -6.429 3.224 7.926 426 HG3 LYS 54 2HG LYS 54 -6.523 3.742 9.611 427 HD2 LYS 54 1HD LYS 54 -8.506 4.919 9.265 428 HD3 LYS 54 2HD LYS 54 -8.265 4.996 7.518 429 HE2 LYS 54 1HE LYS 54 -8.555 2.507 7.463 430 HE3 LYS 54 2HE LYS 54 -9.009 2.584 9.164 431 HZ1 LYS 54 3HZ LYS 54 -10.428 4.338 7.308 432 HZ2 LYS 54 1HZ LYS 54 -10.993 3.541 8.690 433 HZ3 LYS 54 2HZ LYS 54 -10.789 2.687 7.245 434 H ARG 55 H ARG 55 -3.321 6.549 10.467 435 HA ARG 55 HA ARG 55 -3.004 8.938 9.073 436 HB2 ARG 55 1HB ARG 55 -2.684 8.238 11.639 437 HB3 ARG 55 2HB ARG 55 -0.993 8.275 11.156 438 HG2 ARG 55 1HG ARG 55 -1.342 10.415 11.938 439 HG3 ARG 55 2HG ARG 55 -1.564 10.606 10.197 440 HD2 ARG 55 1HD ARG 55 -4.059 10.174 10.704 441 HD3 ARG 55 2HD ARG 55 -3.625 10.548 12.371 442 HE ARG 55 HE ARG 55 -2.620 12.607 10.833 443 HH11 ARG 55 1HH1 ARG 55 -5.740 11.224 11.515 444 HH12 ARG 55 2HH1 ARG 55 -6.594 12.715 11.298 445 HH21 ARG 55 1HH2 ARG 55 -3.733 14.577 10.543 446 HH22 ARG 55 2HH2 ARG 55 -5.451 14.622 10.744 447 HA PRO 56 HA PRO 56 1.557 7.529 8.202 448 HB2 PRO 56 1HB PRO 56 2.047 4.866 8.398 449 HB3 PRO 56 2HB PRO 56 2.244 5.982 9.755 450 HG2 PRO 56 1HG PRO 56 -0.036 4.146 9.129 451 HG3 PRO 56 2HG PRO 56 0.743 4.470 10.688 452 HD2 PRO 56 1HD PRO 56 -1.605 5.610 9.968 453 HD3 PRO 56 2HD PRO 56 -0.422 6.434 11.004 454 H PHE 57 H PHE 57 -1.181 5.528 7.342 455 HA PHE 57 HA PHE 57 -0.030 4.966 4.710 456 HB2 PHE 57 1HB PHE 57 -2.646 3.962 5.840 457 HB3 PHE 57 2HB PHE 57 -1.785 3.346 4.433 458 HD1 PHE 57 1HD PHE 57 0.719 2.597 4.980 459 HD2 PHE 57 2HD PHE 57 -2.480 2.765 7.782 460 HE1 PHE 57 1HE PHE 57 1.888 0.968 6.406 461 HE2 PHE 57 2HE PHE 57 -1.316 1.137 9.213 462 HZ PHE 57 HZ PHE 57 0.871 0.237 8.527 463 H VAL 58 H VAL 58 -1.977 7.232 6.206 464 HA VAL 58 HA VAL 58 -3.612 7.768 3.845 465 HB VAL 58 HB VAL 58 -3.640 8.820 6.657 466 HG11 VAL 58 1HG1 VAL 58 -5.394 10.404 5.999 467 HG12 VAL 58 2HG1 VAL 58 -3.852 10.775 5.225 468 HG13 VAL 58 3HG1 VAL 58 -5.132 9.981 4.307 469 HG21 VAL 58 3HG2 VAL 58 -4.959 6.757 5.420 470 HG22 VAL 58 1HG2 VAL 58 -5.475 7.564 6.901 471 HG23 VAL 58 2HG2 VAL 58 -6.137 8.067 5.346 472 H GLU 59 H GLU 59 -0.977 9.151 5.717 473 HA GLU 59 HA GLU 59 -0.921 11.616 4.247 474 HB2 GLU 59 1HB GLU 59 1.230 10.424 6.003 475 HB3 GLU 59 2HB GLU 59 1.097 12.102 5.497 476 HG2 GLU 59 1HG GLU 59 -1.160 10.890 7.003 477 HG3 GLU 59 2HG GLU 59 0.310 11.322 7.875 478 H GLU 60 H GLU 60 0.079 8.479 3.583 479 HA GLU 60 HA GLU 60 2.274 9.309 1.839 480 HB2 GLU 60 1HB GLU 60 2.860 7.392 3.068 481 HB3 GLU 60 2HB GLU 60 1.289 6.644 2.820 482 HG2 GLU 60 1HG GLU 60 1.813 5.896 0.730 483 HG3 GLU 60 2HG GLU 60 2.980 7.185 0.441 484 H ALA 61 H ALA 61 -0.580 7.182 1.553 485 HA ALA 61 HA ALA 61 -0.682 6.863 -1.151 486 HB1 ALA 61 3HB ALA 61 -2.278 6.055 0.770 487 HB2 ALA 61 1HB ALA 61 -3.251 7.429 0.245 488 HB3 ALA 61 2HB ALA 61 -2.845 6.148 -0.897 489 H GLU 62 H GLU 62 -1.897 9.634 0.692 490 HA GLU 62 HA GLU 62 -3.190 11.027 -1.311 491 HB2 GLU 62 1HB GLU 62 -3.265 11.760 0.995 492 HB3 GLU 62 2HB GLU 62 -1.539 12.097 0.983 493 HG2 GLU 62 1HG GLU 62 -2.305 14.199 0.671 494 HG3 GLU 62 2HG GLU 62 -2.242 13.687 -1.014 495 H ARG 63 H ARG 63 0.186 11.577 -0.285 496 HA ARG 63 HA ARG 63 0.980 13.349 -2.200 497 HB2 ARG 63 1HB ARG 63 2.630 11.036 -1.163 498 HB3 ARG 63 2HB ARG 63 3.259 12.503 -1.902 499 HG2 ARG 63 1HG ARG 63 2.839 13.783 -0.054 500 HG3 ARG 63 2HG ARG 63 1.515 12.752 0.494 501 HD2 ARG 63 1HD ARG 63 3.365 12.473 1.992 502 HD3 ARG 63 2HD ARG 63 3.189 10.998 1.042 503 HE ARG 63 HE ARG 63 5.046 12.779 -0.161 504 HH11 ARG 63 1HH1 ARG 63 4.682 10.502 2.448 505 HH12 ARG 63 2HH1 ARG 63 6.368 10.109 2.513 506 HH21 ARG 63 1HH2 ARG 63 7.268 12.270 -0.085 507 HH22 ARG 63 2HH2 ARG 63 7.838 11.115 1.073 508 H LEU 64 H LEU 64 0.742 9.838 -2.521 509 HA LEU 64 HA LEU 64 1.869 9.701 -5.121 510 HB2 LEU 64 1HB LEU 64 -0.126 7.733 -4.064 511 HB3 LEU 64 2HB LEU 64 1.249 7.451 -5.129 512 HG LEU 64 HG LEU 64 1.371 8.042 -2.173 513 HD11 LEU 64 1HD1 LEU 64 1.080 5.857 -1.935 514 HD12 LEU 64 2HD1 LEU 64 2.600 5.611 -2.793 515 HD13 LEU 64 3HD1 LEU 64 1.077 5.613 -3.682 516 HD21 LEU 64 3HD2 LEU 64 3.832 7.207 -2.788 517 HD22 LEU 64 1HD2 LEU 64 3.369 8.909 -2.797 518 HD23 LEU 64 2HD2 LEU 64 3.419 8.001 -4.308 519 H ARG 65 H ARG 65 -1.469 9.844 -3.930 520 HA ARG 65 HA ARG 65 -2.782 9.561 -6.376 521 HB2 ARG 65 1HB ARG 65 -4.040 9.423 -4.347 522 HB3 ARG 65 2HB ARG 65 -3.558 11.044 -3.866 523 HG2 ARG 65 1HG ARG 65 -4.766 11.681 -6.132 524 HG3 ARG 65 2HG ARG 65 -5.622 10.172 -5.805 525 HD2 ARG 65 1HD ARG 65 -5.813 11.241 -3.388 526 HD3 ARG 65 2HD ARG 65 -5.635 12.737 -4.304 527 HE ARG 65 HE ARG 65 -7.756 12.448 -5.113 528 HH11 ARG 65 1HH1 ARG 65 -6.635 9.442 -3.761 529 HH12 ARG 65 2HH1 ARG 65 -8.171 8.653 -3.909 530 HH21 ARG 65 1HH2 ARG 65 -9.782 11.420 -5.313 531 HH22 ARG 65 2HH2 ARG 65 -9.960 9.779 -4.793 532 H VAL 66 H VAL 66 -1.881 12.559 -4.668 533 HA VAL 66 HA VAL 66 -2.770 14.365 -6.594 534 HB VAL 66 HB VAL 66 -1.072 15.941 -5.631 535 HG11 VAL 66 1HG1 VAL 66 -2.726 16.380 -4.218 536 HG12 VAL 66 2HG1 VAL 66 -3.336 14.733 -4.394 537 HG13 VAL 66 3HG1 VAL 66 -2.143 15.104 -3.149 538 HG21 VAL 66 3HG2 VAL 66 0.682 14.351 -5.109 539 HG22 VAL 66 1HG2 VAL 66 0.174 15.188 -3.642 540 HG23 VAL 66 2HG2 VAL 66 -0.366 13.538 -3.948 541 H GLN 67 H GLN 67 0.352 12.728 -6.278 542 HA GLN 67 HA GLN 67 1.813 14.039 -8.212 543 HB2 GLN 67 1HB GLN 67 1.813 11.212 -7.222 544 HB3 GLN 67 2HB GLN 67 2.846 11.659 -8.574 545 HG2 GLN 67 1HG GLN 67 4.173 13.026 -7.288 546 HG3 GLN 67 2HG GLN 67 2.917 13.284 -6.078 547 HE21 GLN 67 1HE2 GLN 67 4.633 12.808 -4.558 548 HE22 GLN 67 2HE2 GLN 67 5.000 11.161 -4.185 549 H HIS 68 H HIS 68 -0.476 11.367 -8.633 550 HA HIS 68 HA HIS 68 -0.085 10.926 -11.362 551 HB2 HIS 68 1HB HIS 68 -1.376 9.401 -9.948 552 HB3 HIS 68 2HB HIS 68 -2.624 10.627 -9.743 553 HD1 HIS 68 1HD HIS 68 -1.057 8.556 -12.512 554 HD2 HIS 68 2HD HIS 68 -4.597 10.537 -11.612 555 HE1 HIS 68 1HE HIS 68 -2.644 7.977 -14.375 556 HE2 HIS 68 2HE HIS 68 -4.751 9.255 -13.853 557 H MET 69 H MET 69 -2.511 12.985 -9.756 558 HA MET 69 HA MET 69 -3.598 14.031 -12.141 559 HB2 MET 69 1HB MET 69 -3.566 15.401 -9.451 560 HB3 MET 69 2HB MET 69 -4.732 15.621 -10.750 561 HG2 MET 69 1HG MET 69 -5.141 13.055 -10.382 562 HG3 MET 69 2HG MET 69 -4.468 13.403 -8.791 563 HE1 MET 69 3HE MET 69 -5.999 13.833 -6.884 564 HE2 MET 69 1HE MET 69 -5.437 15.459 -7.273 565 HE3 MET 69 2HE MET 69 -7.140 15.179 -6.909 566 H GLN 70 H GLN 70 -0.624 14.569 -10.651 567 HA GLN 70 HA GLN 70 -0.302 17.305 -11.531 568 HB2 GLN 70 1HB GLN 70 1.030 17.115 -9.712 569 HB3 GLN 70 2HB GLN 70 1.230 15.380 -9.916 570 HG2 GLN 70 1HG GLN 70 3.087 15.601 -11.210 571 HG3 GLN 70 2HG GLN 70 2.589 17.164 -11.853 572 HE21 GLN 70 1HE2 GLN 70 4.500 15.546 -9.588 573 HE22 GLN 70 2HE2 GLN 70 5.061 16.923 -8.709 574 H ASP 71 H ASP 71 1.180 14.170 -12.348 575 HA ASP 71 HA ASP 71 2.831 14.959 -14.401 576 HB2 ASP 71 1HB ASP 71 1.266 12.423 -13.974 577 HB3 ASP 71 2HB ASP 71 2.329 12.623 -15.364 578 H HIS 72 H HIS 72 -0.598 14.936 -14.332 579 HA HIS 72 HA HIS 72 -0.680 16.030 -17.018 580 HB2 HIS 72 1HB HIS 72 -2.683 14.452 -17.508 581 HB3 HIS 72 2HB HIS 72 -1.046 13.833 -17.712 582 HD1 HIS 72 1HD HIS 72 -4.187 13.120 -16.048 583 HD2 HIS 72 2HD HIS 72 -0.182 12.220 -15.406 584 HE1 HIS 72 1HE HIS 72 -4.182 11.182 -14.445 585 HE2 HIS 72 2HE HIS 72 -1.748 10.710 -14.006 586 HA PRO 73 HA PRO 73 -3.547 18.544 -14.720 587 HB2 PRO 73 1HB PRO 73 -4.127 20.241 -16.758 588 HB3 PRO 73 2HB PRO 73 -2.626 20.332 -15.830 589 HG2 PRO 73 1HG PRO 73 -3.123 19.094 -18.509 590 HG3 PRO 73 2HG PRO 73 -1.761 20.097 -17.976 591 HD2 PRO 73 1HD PRO 73 -1.606 17.399 -18.144 592 HD3 PRO 73 2HD PRO 73 -0.710 18.333 -16.929 593 H ASN 74 H ASN 74 -4.201 16.263 -16.994 594 HA ASN 74 HA ASN 74 -6.545 16.664 -18.226 595 HB2 ASN 74 1HB ASN 74 -6.900 14.371 -18.209 596 HB3 ASN 74 2HB ASN 74 -5.180 14.465 -17.841 597 HD21 ASN 74 1HD2 ASN 74 -4.902 14.880 -15.315 598 HD22 ASN 74 2HD2 ASN 74 -5.723 13.714 -14.340 599 H TYR 75 H TYR 75 -6.129 16.318 -14.756 600 HA TYR 75 HA TYR 75 -8.864 16.110 -14.080 601 HB2 TYR 75 1HB TYR 75 -8.186 16.479 -11.828 602 HB3 TYR 75 2HB TYR 75 -6.887 15.570 -12.592 603 HD1 TYR 75 2HD TYR 75 -4.855 16.887 -13.429 604 HD2 TYR 75 1HD TYR 75 -7.744 18.515 -10.763 605 HE1 TYR 75 2HE TYR 75 -3.240 18.608 -12.739 606 HE2 TYR 75 1HE TYR 75 -6.137 20.241 -10.066 607 HH TYR 75 HH TYR 75 -4.093 21.062 -10.312 608 H LYS 76 H LYS 76 -10.123 17.751 -12.908 609 HA LYS 76 HA LYS 76 -10.174 20.213 -14.377 610 HB2 LYS 76 1HB LYS 76 -12.201 20.683 -13.219 611 HB3 LYS 76 2HB LYS 76 -12.208 18.960 -13.572 612 HG2 LYS 76 1HG LYS 76 -12.898 18.912 -11.408 613 HG3 LYS 76 2HG LYS 76 -11.154 18.814 -11.159 614 HD2 LYS 76 1HD LYS 76 -11.377 21.453 -11.152 615 HD3 LYS 76 2HD LYS 76 -13.028 21.069 -10.658 616 HE2 LYS 76 1HE LYS 76 -10.650 19.836 -9.303 617 HE3 LYS 76 2HE LYS 76 -11.265 21.418 -8.825 618 HZ1 LYS 76 3HZ LYS 76 -13.039 20.514 -7.831 619 HZ2 LYS 76 1HZ LYS 76 -12.131 19.086 -7.824 620 HZ3 LYS 76 2HZ LYS 76 -13.277 19.354 -9.039 621 H SER 77 H SER 77 -10.102 22.338 -13.444 622 HA SER 77 HA SER 77 -8.715 22.550 -10.871 623 HB2 SER 77 1HB SER 77 -7.787 23.921 -13.407 624 HB3 SER 77 2HB SER 77 -7.091 24.141 -11.802 625 HG SER 77 HG SER 77 -7.227 21.646 -13.145 626 H GLY 78 H GLY 78 -9.415 24.196 -9.638 627 HA2 GLY 78 1HA GLY 78 -10.552 26.587 -10.759 628 HA3 GLY 78 2HA GLY 78 -11.763 25.525 -10.053 629 HA PRO 79 HA PRO 79 -11.020 27.263 -6.102 630 HB2 PRO 79 1HB PRO 79 -11.478 25.137 -4.477 631 HB3 PRO 79 2HB PRO 79 -12.769 25.987 -5.334 632 HG2 PRO 79 1HG PRO 79 -11.386 23.429 -6.046 633 HG3 PRO 79 2HG PRO 79 -13.112 23.826 -6.121 634 HD2 PRO 79 1HD PRO 79 -11.516 23.845 -8.308 635 HD3 PRO 79 2HD PRO 79 -12.895 24.947 -8.123 636 H SER 80 H SER 80 -9.275 27.712 -4.898 637 HA SER 80 HA SER 80 -6.786 26.589 -5.329 638 HB2 SER 80 1HB SER 80 -6.094 27.733 -3.227 639 HB3 SER 80 2HB SER 80 -7.030 28.775 -4.298 640 HG SER 80 HG SER 80 -7.992 27.393 -2.012 641 H SER 81 H SER 81 -5.645 24.927 -4.502 642 HA SER 81 HA SER 81 -7.086 23.047 -2.801 643 HB2 SER 81 1HB SER 81 -5.152 21.521 -3.368 644 HB3 SER 81 2HB SER 81 -6.106 22.057 -4.752 645 HG SER 81 HG SER 81 -4.498 23.406 -5.353 646 H GLY 82 H GLY 82 -6.039 22.026 -0.975 647 HA2 GLY 82 1HA GLY 82 -4.820 23.928 0.757 648 HA3 GLY 82 2HA GLY 82 -5.080 22.225 1.107 Start of MODEL 17 1 H1 GLY 1 H GLY 1 3.107 -11.764 -11.448 2 HA2 GLY 1 1HA GLY 1 5.554 -12.024 -10.864 3 HA3 GLY 1 2HA GLY 1 4.912 -10.417 -10.558 4 H SER 2 H SER 2 6.937 -12.471 -9.277 5 HA SER 2 HA SER 2 6.016 -12.078 -6.506 6 HB2 SER 2 1HB SER 2 7.341 -13.989 -5.869 7 HB3 SER 2 2HB SER 2 6.353 -14.452 -7.256 8 HG SER 2 HG SER 2 8.284 -13.879 -8.536 9 H SER 3 H SER 3 8.739 -11.775 -8.714 10 HA SER 3 HA SER 3 9.978 -9.900 -6.823 11 HB2 SER 3 1HB SER 3 11.056 -12.267 -6.898 12 HB3 SER 3 2HB SER 3 11.687 -11.753 -8.462 13 HG SER 3 HG SER 3 12.296 -9.775 -7.030 14 H GLY 4 H GLY 4 10.334 -7.993 -7.739 15 HA2 GLY 4 1HA GLY 4 11.504 -6.799 -9.551 16 HA3 GLY 4 2HA GLY 4 10.722 -7.908 -10.668 17 H SER 5 H SER 5 10.195 -5.221 -8.460 18 HA SER 5 HA SER 5 7.494 -4.825 -9.484 19 HB2 SER 5 1HB SER 5 8.158 -4.582 -7.014 20 HB3 SER 5 2HB SER 5 8.907 -3.058 -7.491 21 HG SER 5 HG SER 5 6.660 -2.756 -8.517 22 H SER 6 H SER 6 6.995 -3.421 -11.035 23 HA SER 6 HA SER 6 9.101 -1.611 -11.991 24 HB2 SER 6 1HB SER 6 6.600 -2.587 -13.392 25 HB3 SER 6 2HB SER 6 7.829 -1.541 -14.102 26 HG SER 6 HG SER 6 7.837 -4.251 -13.734 27 H GLY 7 H GLY 7 5.639 -1.711 -11.216 28 HA2 GLY 7 1HA GLY 7 5.167 0.428 -9.798 29 HA3 GLY 7 2HA GLY 7 5.548 1.221 -11.319 30 H ILE 8 H ILE 8 3.156 1.780 -10.331 31 HA ILE 8 HA ILE 8 1.301 0.136 -11.927 32 HB ILE 8 HB ILE 8 0.618 1.671 -9.418 33 HG12 ILE 8 1HG1 ILE 8 0.738 -1.326 -9.767 34 HG13 ILE 8 2HG1 ILE 8 2.073 -0.384 -9.110 35 HG21 ILE 8 1HG2 ILE 8 -1.236 -0.381 -10.272 36 HG22 ILE 8 2HG2 ILE 8 -1.529 1.313 -9.881 37 HG23 ILE 8 3HG2 ILE 8 -1.013 0.860 -11.506 38 HD11 ILE 8 3HD1 ILE 8 -0.455 0.172 -7.792 39 HD12 ILE 8 1HD1 ILE 8 0.031 -1.519 -7.676 40 HD13 ILE 8 2HD1 ILE 8 1.116 -0.248 -7.110 41 H ARG 9 H ARG 9 0.370 1.163 -13.563 42 HA ARG 9 HA ARG 9 0.877 3.709 -14.394 43 HB2 ARG 9 1HB ARG 9 -0.212 2.096 -15.834 44 HB3 ARG 9 2HB ARG 9 -1.644 2.096 -14.812 45 HG2 ARG 9 1HG ARG 9 -2.330 3.462 -16.508 46 HG3 ARG 9 2HG ARG 9 -1.674 4.652 -15.382 47 HD2 ARG 9 1HD ARG 9 0.473 4.563 -16.627 48 HD3 ARG 9 2HD ARG 9 -0.293 3.488 -17.796 49 HE ARG 9 HE ARG 9 -1.773 5.894 -17.476 50 HH11 ARG 9 1HH1 ARG 9 1.071 4.560 -18.977 51 HH12 ARG 9 2HH1 ARG 9 1.096 5.721 -20.263 52 HH21 ARG 9 1HH2 ARG 9 -1.752 7.427 -19.165 53 HH22 ARG 9 2HH2 ARG 9 -0.510 7.351 -20.369 54 H ARG 10 H ARG 10 -1.720 2.658 -12.238 55 HA ARG 10 HA ARG 10 -2.481 5.465 -11.825 56 HB2 ARG 10 1HB ARG 10 -3.915 2.864 -11.341 57 HB3 ARG 10 2HB ARG 10 -4.456 4.362 -10.596 58 HG2 ARG 10 1HG ARG 10 -5.737 4.009 -12.571 59 HG3 ARG 10 2HG ARG 10 -4.633 5.353 -12.872 60 HD2 ARG 10 1HD ARG 10 -3.108 3.828 -14.036 61 HD3 ARG 10 2HD ARG 10 -4.223 2.494 -13.743 62 HE ARG 10 HE ARG 10 -4.420 4.478 -15.784 63 HH11 ARG 10 1HH1 ARG 10 -6.282 2.401 -13.700 64 HH12 ARG 10 2HH1 ARG 10 -7.647 2.339 -14.765 65 HH21 ARG 10 1HH2 ARG 10 -6.212 4.403 -17.194 66 HH22 ARG 10 2HH2 ARG 10 -7.606 3.477 -16.753 67 HA PRO 11 HA PRO 11 -0.703 5.588 -7.812 68 HB2 PRO 11 1HB PRO 11 -2.407 7.289 -6.556 69 HB3 PRO 11 2HB PRO 11 -1.247 7.820 -7.779 70 HG2 PRO 11 1HG PRO 11 -4.171 7.247 -8.065 71 HG3 PRO 11 2HG PRO 11 -3.223 8.588 -8.735 72 HD2 PRO 11 1HD PRO 11 -3.925 6.424 -10.203 73 HD3 PRO 11 2HD PRO 11 -2.411 7.311 -10.474 74 H MET 12 H MET 12 -1.529 5.607 -5.383 75 HA MET 12 HA MET 12 -3.636 3.574 -5.093 76 HB2 MET 12 1HB MET 12 -1.316 3.521 -3.225 77 HB3 MET 12 2HB MET 12 -2.346 2.205 -3.771 78 HG2 MET 12 1HG MET 12 -1.216 2.578 -6.060 79 HG3 MET 12 2HG MET 12 0.003 3.448 -5.133 80 HE1 MET 12 3HE MET 12 1.775 1.624 -3.121 81 HE2 MET 12 1HE MET 12 0.258 2.412 -2.684 82 HE3 MET 12 2HE MET 12 0.480 0.691 -2.367 83 H ASN 13 H ASN 13 -4.828 3.640 -3.161 84 HA ASN 13 HA ASN 13 -4.779 6.256 -1.853 85 HB2 ASN 13 1HB ASN 13 -6.916 4.264 -1.271 86 HB3 ASN 13 2HB ASN 13 -7.029 6.012 -1.457 87 HD21 ASN 13 1HD2 ASN 13 -8.816 4.231 -2.621 88 HD22 ASN 13 2HD2 ASN 13 -8.640 4.312 -4.338 89 H ALA 14 H ALA 14 -5.889 5.842 0.542 90 HA ALA 14 HA ALA 14 -3.785 5.022 2.167 91 HB1 ALA 14 3HB ALA 14 -5.651 4.899 3.959 92 HB2 ALA 14 1HB ALA 14 -5.290 6.448 3.196 93 HB3 ALA 14 2HB ALA 14 -6.692 5.513 2.674 94 H PHE 15 H PHE 15 -6.684 3.256 1.152 95 HA PHE 15 HA PHE 15 -6.160 0.942 2.707 96 HB2 PHE 15 1HB PHE 15 -8.389 1.150 2.033 97 HB3 PHE 15 2HB PHE 15 -7.950 1.543 0.374 98 HD1 PHE 15 2HD PHE 15 -7.233 -0.228 -1.171 99 HD2 PHE 15 1HD PHE 15 -8.619 -1.106 2.756 100 HE1 PHE 15 2HE PHE 15 -7.559 -2.580 -1.816 101 HE2 PHE 15 1HE PHE 15 -8.945 -3.459 2.118 102 HZ PHE 15 HZ PHE 15 -8.416 -4.199 -0.170 103 H MET 16 H MET 16 -5.645 1.682 -0.735 104 HA MET 16 HA MET 16 -4.531 -0.752 -1.495 105 HB2 MET 16 1HB MET 16 -4.018 2.037 -2.535 106 HB3 MET 16 2HB MET 16 -3.416 0.581 -3.316 107 HG2 MET 16 1HG MET 16 -6.328 0.833 -2.744 108 HG3 MET 16 2HG MET 16 -5.631 1.702 -4.109 109 HE1 MET 16 3HE MET 16 -5.139 0.868 -6.223 110 HE2 MET 16 1HE MET 16 -3.707 -0.062 -5.777 111 HE3 MET 16 2HE MET 16 -4.978 -0.810 -6.744 112 H VAL 17 H VAL 17 -2.852 2.218 -0.461 113 HA VAL 17 HA VAL 17 -0.246 1.339 -0.597 114 HB VAL 17 HB VAL 17 -1.437 3.152 1.506 115 HG11 VAL 17 1HG1 VAL 17 1.430 2.874 0.610 116 HG12 VAL 17 2HG1 VAL 17 0.813 4.011 1.809 117 HG13 VAL 17 3HG1 VAL 17 0.774 2.278 2.134 118 HG21 VAL 17 3HG2 VAL 17 -1.212 4.912 0.062 119 HG22 VAL 17 1HG2 VAL 17 0.090 4.142 -0.846 120 HG23 VAL 17 2HG2 VAL 17 -1.580 3.628 -1.090 121 H TRP 18 H TRP 18 -2.214 1.349 2.382 122 HA TRP 18 HA TRP 18 -0.465 -0.138 3.947 123 HB2 TRP 18 1HB TRP 18 -2.159 0.875 5.164 124 HB3 TRP 18 2HB TRP 18 -3.414 0.367 4.038 125 HD1 TRP 18 HD TRP 18 -1.624 -0.702 7.187 126 HE1 TRP 18 1HE TRP 18 -2.687 -2.870 8.078 127 HE3 TRP 18 3HE TRP 18 -4.603 -1.845 3.193 128 HZ2 TRP 18 2HZ TRP 18 -4.543 -4.808 7.203 129 HZ3 TRP 18 3HZ TRP 18 -5.991 -3.874 3.300 130 HH2 TRP 18 HH TRP 18 -5.960 -5.324 5.264 131 H ALA 19 H ALA 19 -2.678 -1.163 1.480 132 HA ALA 19 HA ALA 19 -2.772 -3.917 2.240 133 HB1 ALA 19 3HB ALA 19 -4.536 -3.657 0.891 134 HB2 ALA 19 1HB ALA 19 -3.830 -2.257 0.084 135 HB3 ALA 19 2HB ALA 19 -3.388 -3.886 -0.428 136 H LYS 20 H LYS 20 -0.872 -2.028 -0.072 137 HA LYS 20 HA LYS 20 0.422 -3.800 -1.589 138 HB2 LYS 20 1HB LYS 20 2.179 -2.303 -1.792 139 HB3 LYS 20 2HB LYS 20 0.895 -1.269 -1.178 140 HG2 LYS 20 1HG LYS 20 1.909 -1.879 1.148 141 HG3 LYS 20 2HG LYS 20 3.342 -2.272 0.195 142 HD2 LYS 20 1HD LYS 20 1.896 0.360 -0.026 143 HD3 LYS 20 2HD LYS 20 3.224 0.085 1.104 144 HE2 LYS 20 1HE LYS 20 4.406 -0.807 -1.098 145 HE3 LYS 20 2HE LYS 20 3.248 0.282 -1.862 146 HZ1 LYS 20 3HZ LYS 20 4.986 1.171 0.359 147 HZ2 LYS 20 1HZ LYS 20 4.149 2.118 -0.766 148 HZ3 LYS 20 2HZ LYS 20 5.503 1.229 -1.250 149 H ASP 21 H ASP 21 0.872 -3.443 1.870 150 HA ASP 21 HA ASP 21 2.982 -5.456 1.896 151 HB2 ASP 21 1HB ASP 21 3.075 -3.375 3.329 152 HB3 ASP 21 2HB ASP 21 1.744 -4.049 4.265 153 H GLU 22 H GLU 22 -0.076 -4.960 3.674 154 HA GLU 22 HA GLU 22 -0.392 -7.384 4.842 155 HB2 GLU 22 1HB GLU 22 -1.991 -5.252 4.588 156 HB3 GLU 22 2HB GLU 22 -2.810 -6.335 3.471 157 HG2 GLU 22 1HG GLU 22 -2.104 -7.410 6.137 158 HG3 GLU 22 2HG GLU 22 -3.404 -6.223 6.053 159 H ARG 23 H ARG 23 -1.604 -6.612 1.576 160 HA ARG 23 HA ARG 23 -2.624 -8.995 0.794 161 HB2 ARG 23 1HB ARG 23 -2.518 -6.943 -0.607 162 HB3 ARG 23 2HB ARG 23 -0.823 -7.286 -0.930 163 HG2 ARG 23 1HG ARG 23 -1.504 -9.434 -1.960 164 HG3 ARG 23 2HG ARG 23 -3.189 -8.964 -1.733 165 HD2 ARG 23 1HD ARG 23 -1.326 -7.116 -3.155 166 HD3 ARG 23 2HD ARG 23 -1.976 -8.515 -4.009 167 HE ARG 23 HE ARG 23 -4.152 -7.301 -2.871 168 HH11 ARG 23 1HH1 ARG 23 -1.626 -6.342 -5.066 169 HH12 ARG 23 2HH1 ARG 23 -2.610 -5.186 -5.901 170 HH21 ARG 23 1HH2 ARG 23 -5.458 -5.782 -3.962 171 HH22 ARG 23 2HH2 ARG 23 -4.790 -4.868 -5.271 172 H LYS 24 H LYS 24 0.816 -8.113 0.683 173 HA LYS 24 HA LYS 24 1.931 -10.287 -0.508 174 HB2 LYS 24 1HB LYS 24 3.007 -9.000 2.007 175 HB3 LYS 24 2HB LYS 24 3.936 -9.888 0.806 176 HG2 LYS 24 1HG LYS 24 3.022 -8.076 -0.830 177 HG3 LYS 24 2HG LYS 24 2.762 -7.153 0.652 178 HD2 LYS 24 1HD LYS 24 4.891 -6.487 0.188 179 HD3 LYS 24 2HD LYS 24 5.257 -7.942 1.119 180 HE2 LYS 24 1HE LYS 24 4.852 -8.248 -1.803 181 HE3 LYS 24 2HE LYS 24 6.334 -7.457 -1.268 182 HZ1 LYS 24 3HZ LYS 24 5.718 -9.864 0.182 183 HZ2 LYS 24 1HZ LYS 24 7.171 -9.374 -0.533 184 HZ3 LYS 24 2HZ LYS 24 5.979 -10.126 -1.468 185 H ARG 25 H ARG 25 0.883 -10.067 2.871 186 HA ARG 25 HA ARG 25 1.748 -12.655 3.620 187 HB2 ARG 25 1HB ARG 25 0.807 -12.215 5.664 188 HB3 ARG 25 2HB ARG 25 0.953 -10.575 5.046 189 HG2 ARG 25 1HG ARG 25 -1.465 -11.021 4.150 190 HG3 ARG 25 2HG ARG 25 -1.475 -12.255 5.411 191 HD2 ARG 25 1HD ARG 25 -0.777 -9.360 5.873 192 HD3 ARG 25 2HD ARG 25 -2.383 -10.044 6.126 193 HE ARG 25 HE ARG 25 -1.573 -11.212 7.987 194 HH11 ARG 25 1HH1 ARG 25 0.910 -9.327 6.438 195 HH12 ARG 25 2HH1 ARG 25 2.000 -9.417 7.782 196 HH21 ARG 25 1HH2 ARG 25 -0.148 -11.338 9.764 197 HH22 ARG 25 2HH2 ARG 25 1.397 -10.562 9.673 198 H LEU 26 H LEU 26 -1.182 -11.432 2.147 199 HA LEU 26 HA LEU 26 -2.789 -13.725 2.555 200 HB2 LEU 26 1HB LEU 26 -2.997 -11.768 0.278 201 HB3 LEU 26 2HB LEU 26 -4.276 -12.785 0.938 202 HG LEU 26 HG LEU 26 -3.018 -10.357 2.201 203 HD11 LEU 26 1HD1 LEU 26 -5.569 -9.817 2.275 204 HD12 LEU 26 2HD1 LEU 26 -5.660 -11.010 0.979 205 HD13 LEU 26 3HD1 LEU 26 -4.653 -9.575 0.787 206 HD21 LEU 26 3HD2 LEU 26 -4.940 -12.354 3.390 207 HD22 LEU 26 1HD2 LEU 26 -4.570 -10.776 4.085 208 HD23 LEU 26 2HD2 LEU 26 -3.303 -11.995 3.943 209 H ALA 27 H ALA 27 -0.654 -12.719 -0.080 210 HA ALA 27 HA ALA 27 -1.252 -14.756 -1.898 211 HB1 ALA 27 3HB ALA 27 0.027 -13.206 -2.933 212 HB2 ALA 27 1HB ALA 27 0.986 -12.874 -1.491 213 HB3 ALA 27 2HB ALA 27 1.329 -14.302 -2.469 214 H GLN 28 H GLN 28 1.328 -14.612 0.556 215 HA GLN 28 HA GLN 28 2.315 -17.211 0.057 216 HB2 GLN 28 1HB GLN 28 3.455 -16.964 2.241 217 HB3 GLN 28 2HB GLN 28 3.684 -15.572 1.192 218 HG2 GLN 28 1HG GLN 28 2.320 -14.214 2.474 219 HG3 GLN 28 2HG GLN 28 1.499 -15.580 3.227 220 HE21 GLN 28 1HE2 GLN 28 2.021 -14.177 5.134 221 HE22 GLN 28 2HE2 GLN 28 3.529 -14.460 5.929 222 H GLN 29 H GLN 29 -0.265 -15.984 2.060 223 HA GLN 29 HA GLN 29 -0.600 -18.421 3.549 224 HB2 GLN 29 1HB GLN 29 -1.980 -15.792 3.394 225 HB3 GLN 29 2HB GLN 29 -2.915 -17.158 3.989 226 HG2 GLN 29 1HG GLN 29 -0.839 -17.528 5.530 227 HG3 GLN 29 2HG GLN 29 -0.534 -15.828 5.180 228 HE21 GLN 29 1HE2 GLN 29 -1.221 -14.598 6.766 229 HE22 GLN 29 2HE2 GLN 29 -2.681 -14.809 7.665 230 H ASN 30 H ASN 30 -1.886 -17.036 0.619 231 HA ASN 30 HA ASN 30 -3.373 -19.525 0.157 232 HB2 ASN 30 1HB ASN 30 -4.416 -16.745 -0.434 233 HB3 ASN 30 2HB ASN 30 -5.222 -18.253 -0.856 234 HD21 ASN 30 1HD2 ASN 30 -5.128 -15.811 1.327 235 HD22 ASN 30 2HD2 ASN 30 -5.864 -16.599 2.677 236 HA PRO 31 HA PRO 31 -0.562 -18.651 -3.380 237 HB2 PRO 31 1HB PRO 31 0.064 -21.259 -3.797 238 HB3 PRO 31 2HB PRO 31 0.905 -20.246 -2.617 239 HG2 PRO 31 1HG PRO 31 -1.285 -22.240 -2.183 240 HG3 PRO 31 2HG PRO 31 0.187 -21.971 -1.233 241 HD2 PRO 31 1HD PRO 31 -2.230 -21.014 -0.476 242 HD3 PRO 31 2HD PRO 31 -0.712 -20.167 -0.116 243 H ASP 32 H ASP 32 -3.513 -20.211 -2.917 244 HA ASP 32 HA ASP 32 -3.799 -20.807 -5.783 245 HB2 ASP 32 1HB ASP 32 -5.002 -21.957 -3.318 246 HB3 ASP 32 2HB ASP 32 -6.018 -21.893 -4.755 247 H LEU 33 H LEU 33 -4.737 -18.657 -3.311 248 HA LEU 33 HA LEU 33 -7.184 -17.806 -4.607 249 HB2 LEU 33 1HB LEU 33 -5.683 -16.841 -2.187 250 HB3 LEU 33 2HB LEU 33 -7.117 -16.026 -2.806 251 HG LEU 33 HG LEU 33 -6.954 -18.813 -1.668 252 HD11 LEU 33 1HD1 LEU 33 -7.018 -16.659 -0.210 253 HD12 LEU 33 2HD1 LEU 33 -8.085 -18.010 0.171 254 HD13 LEU 33 3HD1 LEU 33 -8.713 -16.607 -0.692 255 HD21 LEU 33 3HD2 LEU 33 -9.619 -18.145 -2.015 256 HD22 LEU 33 1HD2 LEU 33 -8.694 -19.305 -2.968 257 HD23 LEU 33 2HD2 LEU 33 -8.850 -17.637 -3.519 258 H HIS 34 H HIS 34 -7.533 -15.633 -5.354 259 HA HIS 34 HA HIS 34 -5.071 -14.355 -6.352 260 HB2 HIS 34 1HB HIS 34 -6.484 -13.543 -8.259 261 HB3 HIS 34 2HB HIS 34 -6.264 -15.290 -8.216 262 HD1 HIS 34 1HD HIS 34 -8.838 -12.684 -8.238 263 HD2 HIS 34 2HD HIS 34 -8.604 -16.722 -7.291 264 HE1 HIS 34 1HE HIS 34 -11.216 -13.499 -8.177 265 HE2 HIS 34 2HE HIS 34 -11.054 -15.925 -7.519 266 H ASN 35 H ASN 35 -5.488 -11.985 -6.962 267 HA ASN 35 HA ASN 35 -5.773 -10.382 -4.856 268 HB2 ASN 35 1HB ASN 35 -5.460 -9.843 -7.427 269 HB3 ASN 35 2HB ASN 35 -7.170 -9.436 -7.324 270 HD21 ASN 35 1HD2 ASN 35 -7.813 -7.655 -6.160 271 HD22 ASN 35 2HD2 ASN 35 -6.701 -6.466 -5.580 272 H ALA 36 H ALA 36 -8.576 -10.709 -7.034 273 HA ALA 36 HA ALA 36 -10.554 -9.601 -5.639 274 HB1 ALA 36 3HB ALA 36 -10.525 -11.240 -7.763 275 HB2 ALA 36 1HB ALA 36 -11.271 -12.307 -6.573 276 HB3 ALA 36 2HB ALA 36 -12.004 -10.745 -6.940 277 H GLU 37 H GLU 37 -9.130 -12.739 -4.874 278 HA GLU 37 HA GLU 37 -10.944 -13.240 -2.698 279 HB2 GLU 37 1HB GLU 37 -8.407 -14.602 -3.601 280 HB3 GLU 37 2HB GLU 37 -9.339 -15.133 -2.208 281 HG2 GLU 37 1HG GLU 37 -10.768 -14.812 -4.786 282 HG3 GLU 37 2HG GLU 37 -9.672 -16.182 -4.609 283 H LEU 38 H LEU 38 -7.570 -12.213 -3.024 284 HA LEU 38 HA LEU 38 -6.887 -12.168 -0.322 285 HB2 LEU 38 1HB LEU 38 -5.898 -10.145 -2.306 286 HB3 LEU 38 2HB LEU 38 -5.047 -10.831 -0.924 287 HG LEU 38 HG LEU 38 -5.690 -12.210 -3.527 288 HD11 LEU 38 1HD1 LEU 38 -3.626 -10.521 -2.919 289 HD12 LEU 38 2HD1 LEU 38 -3.597 -11.767 -4.167 290 HD13 LEU 38 3HD1 LEU 38 -2.936 -12.106 -2.567 291 HD21 LEU 38 3HD2 LEU 38 -4.363 -14.088 -2.553 292 HD22 LEU 38 1HD2 LEU 38 -5.932 -13.832 -1.790 293 HD23 LEU 38 2HD2 LEU 38 -4.462 -13.276 -0.990 294 H SER 39 H SER 39 -8.209 -9.565 -2.354 295 HA SER 39 HA SER 39 -8.241 -7.464 -0.632 296 HB2 SER 39 1HB SER 39 -9.310 -7.851 -3.056 297 HB3 SER 39 2HB SER 39 -10.788 -7.933 -2.098 298 HG SER 39 HG SER 39 -10.636 -5.824 -2.371 299 H LYS 40 H LYS 40 -10.838 -9.896 -0.869 300 HA LYS 40 HA LYS 40 -12.603 -9.129 0.991 301 HB2 LYS 40 1HB LYS 40 -11.461 -11.899 0.621 302 HB3 LYS 40 2HB LYS 40 -12.872 -11.564 1.616 303 HG2 LYS 40 1HG LYS 40 -12.906 -10.561 -1.170 304 HG3 LYS 40 2HG LYS 40 -13.057 -12.303 -0.924 305 HD2 LYS 40 1HD LYS 40 -14.850 -11.638 0.834 306 HD3 LYS 40 2HD LYS 40 -14.872 -10.097 -0.027 307 HE2 LYS 40 1HE LYS 40 -16.482 -11.189 -1.208 308 HE3 LYS 40 2HE LYS 40 -15.069 -11.708 -2.126 309 HZ1 LYS 40 3HZ LYS 40 -16.377 -13.252 0.049 310 HZ2 LYS 40 1HZ LYS 40 -15.022 -13.749 -0.835 311 HZ3 LYS 40 2HZ LYS 40 -16.516 -13.568 -1.607 312 H MET 41 H MET 41 -9.352 -10.221 1.646 313 HA MET 41 HA MET 41 -9.818 -10.170 4.528 314 HB2 MET 41 1HB MET 41 -7.220 -10.762 3.114 315 HB3 MET 41 2HB MET 41 -7.666 -11.172 4.765 316 HG2 MET 41 1HG MET 41 -9.202 -12.824 4.030 317 HG3 MET 41 2HG MET 41 -9.065 -12.292 2.355 318 HE1 MET 41 3HE MET 41 -8.117 -13.273 0.855 319 HE2 MET 41 1HE MET 41 -6.428 -13.775 0.774 320 HE3 MET 41 2HE MET 41 -7.684 -14.960 1.133 321 H LEU 42 H LEU 42 -8.115 -8.418 2.005 322 HA LEU 42 HA LEU 42 -6.588 -6.736 3.679 323 HB2 LEU 42 1HB LEU 42 -7.624 -6.292 0.883 324 HB3 LEU 42 2HB LEU 42 -6.433 -5.270 1.685 325 HG LEU 42 HG LEU 42 -6.065 -8.175 0.952 326 HD11 LEU 42 1HD1 LEU 42 -4.478 -5.929 -0.189 327 HD12 LEU 42 2HD1 LEU 42 -6.085 -6.257 -0.836 328 HD13 LEU 42 3HD1 LEU 42 -4.848 -7.513 -0.871 329 HD21 LEU 42 3HD2 LEU 42 -4.710 -6.500 2.840 330 HD22 LEU 42 1HD2 LEU 42 -3.621 -6.908 1.514 331 HD23 LEU 42 2HD2 LEU 42 -4.412 -8.190 2.432 332 H GLY 43 H GLY 43 -9.923 -6.736 2.791 333 HA2 GLY 43 1HA GLY 43 -10.369 -3.955 3.436 334 HA3 GLY 43 2HA GLY 43 -11.599 -5.150 3.057 335 H LYS 44 H LYS 44 -11.300 -7.056 4.924 336 HA LYS 44 HA LYS 44 -12.591 -6.037 7.159 337 HB2 LYS 44 1HB LYS 44 -12.306 -8.192 8.160 338 HB3 LYS 44 2HB LYS 44 -12.539 -8.436 6.434 339 HG2 LYS 44 1HG LYS 44 -10.231 -8.884 6.101 340 HG3 LYS 44 2HG LYS 44 -9.832 -8.367 7.741 341 HD2 LYS 44 1HD LYS 44 -11.056 -10.246 8.663 342 HD3 LYS 44 2HD LYS 44 -11.569 -10.736 7.046 343 HE2 LYS 44 1HE LYS 44 -9.768 -12.147 7.553 344 HE3 LYS 44 2HE LYS 44 -9.084 -10.911 6.498 345 HZ1 LYS 44 3HZ LYS 44 -8.624 -11.389 9.340 346 HZ2 LYS 44 1HZ LYS 44 -8.621 -9.779 8.821 347 HZ3 LYS 44 2HZ LYS 44 -7.543 -10.890 8.139 348 H SER 45 H SER 45 -9.158 -6.588 6.593 349 HA SER 45 HA SER 45 -8.383 -5.965 9.282 350 HB2 SER 45 1HB SER 45 -6.876 -6.363 6.705 351 HB3 SER 45 2HB SER 45 -6.059 -5.806 8.165 352 HG SER 45 HG SER 45 -7.402 -8.253 7.721 353 H TRP 46 H TRP 46 -8.811 -4.187 6.312 354 HA TRP 46 HA TRP 46 -7.379 -1.858 7.068 355 HB2 TRP 46 1HB TRP 46 -7.907 -2.323 4.731 356 HB3 TRP 46 2HB TRP 46 -9.630 -2.208 5.077 357 HD1 TRP 46 HD TRP 46 -10.631 0.034 4.390 358 HE1 TRP 46 1HE TRP 46 -9.775 2.448 4.139 359 HE3 TRP 46 3HE TRP 46 -5.802 -0.654 5.921 360 HZ2 TRP 46 2HZ TRP 46 -7.371 3.872 4.537 361 HZ3 TRP 46 3HZ TRP 46 -4.288 1.286 5.956 362 HH2 TRP 46 HH TRP 46 -5.058 3.501 5.277 363 H LYS 47 H LYS 47 -10.907 -2.160 6.651 364 HA LYS 47 HA LYS 47 -11.693 0.107 7.950 365 HB2 LYS 47 1HB LYS 47 -12.947 -2.552 7.519 366 HB3 LYS 47 2HB LYS 47 -13.712 -1.490 8.693 367 HG2 LYS 47 1HG LYS 47 -14.198 0.132 7.088 368 HG3 LYS 47 2HG LYS 47 -13.038 -0.532 5.935 369 HD2 LYS 47 1HD LYS 47 -15.449 -2.076 6.853 370 HD3 LYS 47 2HD LYS 47 -15.510 -0.967 5.482 371 HE2 LYS 47 1HE LYS 47 -13.415 -2.322 4.686 372 HE3 LYS 47 2HE LYS 47 -14.050 -3.555 5.775 373 HZ1 LYS 47 3HZ LYS 47 -16.200 -2.663 4.290 374 HZ2 LYS 47 1HZ LYS 47 -15.407 -4.151 4.148 375 HZ3 LYS 47 2HZ LYS 47 -14.935 -2.846 3.182 376 H ALA 48 H ALA 48 -10.717 -2.946 9.388 377 HA ALA 48 HA ALA 48 -11.557 -2.480 12.019 378 HB1 ALA 48 3HB ALA 48 -9.232 -4.096 10.985 379 HB2 ALA 48 1HB ALA 48 -9.820 -4.138 12.648 380 HB3 ALA 48 2HB ALA 48 -10.862 -4.674 11.329 381 H LEU 49 H LEU 49 -8.584 -1.578 10.335 382 HA LEU 49 HA LEU 49 -7.048 -0.692 12.452 383 HB2 LEU 49 1HB LEU 49 -7.291 0.355 9.642 384 HB3 LEU 49 2HB LEU 49 -6.081 0.941 10.782 385 HG LEU 49 HG LEU 49 -6.297 -1.947 9.954 386 HD11 LEU 49 1HD1 LEU 49 -5.808 -0.933 7.925 387 HD12 LEU 49 2HD1 LEU 49 -4.213 -1.298 8.582 388 HD13 LEU 49 3HD1 LEU 49 -4.851 0.343 8.678 389 HD21 LEU 49 3HD2 LEU 49 -3.794 -1.708 10.652 390 HD22 LEU 49 1HD2 LEU 49 -5.041 -1.908 11.883 391 HD23 LEU 49 2HD2 LEU 49 -4.380 -0.307 11.550 392 H THR 50 H THR 50 -6.653 1.415 13.316 393 HA THR 50 HA THR 50 -9.114 2.952 13.625 394 HB THR 50 HB THR 50 -7.809 4.154 15.420 395 HG1 THR 50 1HG THR 50 -5.903 2.822 16.097 396 HG21 THR 50 3HG2 THR 50 -8.112 1.158 15.640 397 HG22 THR 50 1HG2 THR 50 -9.336 2.372 16.010 398 HG23 THR 50 2HG2 THR 50 -7.885 2.250 17.006 399 H LEU 51 H LEU 51 -8.599 5.426 14.016 400 HA LEU 51 HA LEU 51 -7.992 6.539 11.527 401 HB2 LEU 51 1HB LEU 51 -9.353 7.584 13.346 402 HB3 LEU 51 2HB LEU 51 -7.848 7.941 14.190 403 HG LEU 51 HG LEU 51 -9.060 9.754 12.719 404 HD11 LEU 51 1HD1 LEU 51 -6.149 9.673 12.205 405 HD12 LEU 51 2HD1 LEU 51 -6.668 9.594 13.889 406 HD13 LEU 51 3HD1 LEU 51 -7.151 10.958 12.881 407 HD21 LEU 51 3HD2 LEU 51 -7.336 8.337 10.689 408 HD22 LEU 51 1HD2 LEU 51 -8.193 9.861 10.457 409 HD23 LEU 51 2HD2 LEU 51 -9.101 8.366 10.690 410 H ALA 52 H ALA 52 -6.065 6.674 14.528 411 HA ALA 52 HA ALA 52 -3.822 7.931 13.471 412 HB1 ALA 52 3HB ALA 52 -3.157 5.940 15.485 413 HB2 ALA 52 1HB ALA 52 -3.005 7.697 15.533 414 HB3 ALA 52 2HB ALA 52 -4.544 6.933 15.931 415 H GLU 53 H GLU 53 -4.880 4.635 13.193 416 HA GLU 53 HA GLU 53 -2.373 3.524 12.417 417 HB2 GLU 53 1HB GLU 53 -5.220 2.579 12.111 418 HB3 GLU 53 2HB GLU 53 -3.848 1.651 11.520 419 HG2 GLU 53 1HG GLU 53 -4.052 2.543 14.375 420 HG3 GLU 53 2HG GLU 53 -4.783 1.045 13.803 421 H LYS 54 H LYS 54 -5.070 4.978 10.700 422 HA LYS 54 HA LYS 54 -3.949 4.340 8.104 423 HB2 LYS 54 1HB LYS 54 -6.299 6.121 8.764 424 HB3 LYS 54 2HB LYS 54 -5.898 5.448 7.189 425 HG2 LYS 54 1HG LYS 54 -6.465 3.260 7.872 426 HG3 LYS 54 2HG LYS 54 -6.537 3.733 9.571 427 HD2 LYS 54 1HD LYS 54 -8.768 3.739 9.089 428 HD3 LYS 54 2HD LYS 54 -8.376 5.402 8.645 429 HE2 LYS 54 1HE LYS 54 -8.115 4.699 6.307 430 HE3 LYS 54 2HE LYS 54 -8.540 3.050 6.762 431 HZ1 LYS 54 3HZ LYS 54 -10.262 5.450 6.737 432 HZ2 LYS 54 1HZ LYS 54 -10.673 4.087 7.651 433 HZ3 LYS 54 2HZ LYS 54 -10.512 3.962 5.972 434 H ARG 55 H ARG 55 -3.401 6.659 10.429 435 HA ARG 55 HA ARG 55 -3.144 9.041 9.008 436 HB2 ARG 55 1HB ARG 55 -2.794 8.378 11.579 437 HB3 ARG 55 2HB ARG 55 -1.107 8.437 11.085 438 HG2 ARG 55 1HG ARG 55 -1.500 10.579 11.854 439 HG3 ARG 55 2HG ARG 55 -1.709 10.747 10.110 440 HD2 ARG 55 1HD ARG 55 -4.191 10.334 10.545 441 HD3 ARG 55 2HD ARG 55 -3.817 10.614 12.245 442 HE ARG 55 HE ARG 55 -2.768 12.764 10.886 443 HH11 ARG 55 1HH1 ARG 55 -5.909 11.321 11.295 444 HH12 ARG 55 2HH1 ARG 55 -6.764 12.817 11.113 445 HH21 ARG 55 1HH2 ARG 55 -3.882 14.740 10.645 446 HH22 ARG 55 2HH2 ARG 55 -5.610 14.761 10.742 447 HA PRO 56 HA PRO 56 1.438 7.710 8.120 448 HB2 PRO 56 1HB PRO 56 1.980 5.059 8.341 449 HB3 PRO 56 2HB PRO 56 2.165 6.193 9.685 450 HG2 PRO 56 1HG PRO 56 -0.084 4.307 9.094 451 HG3 PRO 56 2HG PRO 56 0.700 4.663 10.644 452 HD2 PRO 56 1HD PRO 56 -1.675 5.750 9.928 453 HD3 PRO 56 2HD PRO 56 -0.501 6.607 10.948 454 H PHE 57 H PHE 57 -1.278 5.673 7.295 455 HA PHE 57 HA PHE 57 -0.131 5.100 4.661 456 HB2 PHE 57 1HB PHE 57 -2.714 4.050 5.826 457 HB3 PHE 57 2HB PHE 57 -1.859 3.444 4.411 458 HD1 PHE 57 1HD PHE 57 0.638 2.701 4.901 459 HD2 PHE 57 2HD PHE 57 -2.468 2.917 7.803 460 HE1 PHE 57 1HE PHE 57 1.858 1.105 6.322 461 HE2 PHE 57 2HE PHE 57 -1.253 1.323 9.228 462 HZ PHE 57 HZ PHE 57 0.914 0.415 8.489 463 H VAL 58 H VAL 58 -2.123 7.331 6.157 464 HA VAL 58 HA VAL 58 -3.788 7.813 3.807 465 HB VAL 58 HB VAL 58 -3.804 8.893 6.608 466 HG11 VAL 58 1HG1 VAL 58 -4.086 10.854 5.262 467 HG12 VAL 58 2HG1 VAL 58 -5.250 10.032 4.221 468 HG13 VAL 58 3HG1 VAL 58 -5.664 10.392 5.897 469 HG21 VAL 58 3HG2 VAL 58 -5.079 6.782 5.455 470 HG22 VAL 58 1HG2 VAL 58 -5.653 7.649 6.880 471 HG23 VAL 58 2HG2 VAL 58 -6.284 8.058 5.285 472 H GLU 59 H GLU 59 -1.190 9.302 5.661 473 HA GLU 59 HA GLU 59 -1.191 11.737 4.152 474 HB2 GLU 59 1HB GLU 59 0.971 10.595 5.929 475 HB3 GLU 59 2HB GLU 59 0.864 12.255 5.361 476 HG2 GLU 59 1HG GLU 59 -1.425 11.146 6.890 477 HG3 GLU 59 2HG GLU 59 0.051 11.552 7.764 478 H GLU 60 H GLU 60 -0.134 8.618 3.508 479 HA GLU 60 HA GLU 60 2.066 9.438 1.781 480 HB2 GLU 60 1HB GLU 60 2.579 7.471 2.960 481 HB3 GLU 60 2HB GLU 60 0.989 6.779 2.673 482 HG2 GLU 60 1HG GLU 60 1.495 6.206 0.477 483 HG3 GLU 60 2HG GLU 60 2.866 7.312 0.406 484 H ALA 61 H ALA 61 -0.868 7.440 1.408 485 HA ALA 61 HA ALA 61 -0.914 7.237 -1.331 486 HB1 ALA 61 3HB ALA 61 -2.676 6.031 -0.716 487 HB2 ALA 61 1HB ALA 61 -2.808 6.895 0.816 488 HB3 ALA 61 2HB ALA 61 -3.593 7.535 -0.629 489 H GLU 62 H GLU 62 -1.922 9.944 0.672 490 HA GLU 62 HA GLU 62 -3.247 11.417 -1.341 491 HB2 GLU 62 1HB GLU 62 -3.657 12.024 0.919 492 HB3 GLU 62 2HB GLU 62 -1.942 12.220 1.254 493 HG2 GLU 62 1HG GLU 62 -1.837 14.276 0.262 494 HG3 GLU 62 2HG GLU 62 -3.190 13.945 -0.819 495 H ARG 63 H ARG 63 0.115 11.258 -0.308 496 HA ARG 63 HA ARG 63 1.021 13.456 -1.863 497 HB2 ARG 63 1HB ARG 63 2.441 11.108 -0.613 498 HB3 ARG 63 2HB ARG 63 3.291 12.353 -1.518 499 HG2 ARG 63 1HG ARG 63 2.552 14.043 0.048 500 HG3 ARG 63 2HG ARG 63 1.603 12.842 0.927 501 HD2 ARG 63 1HD ARG 63 3.553 13.020 2.185 502 HD3 ARG 63 2HD ARG 63 3.830 11.587 1.197 503 HE ARG 63 HE ARG 63 4.869 13.737 -0.206 504 HH11 ARG 63 1HH1 ARG 63 5.425 12.131 2.833 505 HH12 ARG 63 2HH1 ARG 63 7.113 12.519 2.878 506 HH21 ARG 63 1HH2 ARG 63 7.091 14.253 -0.158 507 HH22 ARG 63 2HH2 ARG 63 8.059 13.727 1.176 508 H LEU 64 H LEU 64 0.479 10.078 -2.524 509 HA LEU 64 HA LEU 64 1.958 10.065 -4.991 510 HB2 LEU 64 1HB LEU 64 -0.126 8.072 -4.147 511 HB3 LEU 64 2HB LEU 64 1.228 7.831 -5.249 512 HG LEU 64 HG LEU 64 1.525 8.316 -2.288 513 HD11 LEU 64 1HD1 LEU 64 2.218 5.673 -3.225 514 HD12 LEU 64 2HD1 LEU 64 0.515 6.036 -3.505 515 HD13 LEU 64 3HD1 LEU 64 1.186 6.160 -1.879 516 HD21 LEU 64 3HD2 LEU 64 3.608 8.789 -2.998 517 HD22 LEU 64 1HD2 LEU 64 3.373 7.990 -4.553 518 HD23 LEU 64 2HD2 LEU 64 3.756 7.035 -3.120 519 H ARG 65 H ARG 65 -1.457 10.210 -4.059 520 HA ARG 65 HA ARG 65 -2.611 10.079 -6.582 521 HB2 ARG 65 1HB ARG 65 -3.996 9.960 -4.630 522 HB3 ARG 65 2HB ARG 65 -3.484 11.556 -4.099 523 HG2 ARG 65 1HG ARG 65 -4.519 12.242 -6.447 524 HG3 ARG 65 2HG ARG 65 -5.465 10.782 -6.156 525 HD2 ARG 65 1HD ARG 65 -5.721 11.894 -3.757 526 HD3 ARG 65 2HD ARG 65 -5.440 13.364 -4.690 527 HE ARG 65 HE ARG 65 -7.541 13.157 -5.558 528 HH11 ARG 65 1HH1 ARG 65 -6.569 10.090 -4.229 529 HH12 ARG 65 2HH1 ARG 65 -8.118 9.349 -4.466 530 HH21 ARG 65 1HH2 ARG 65 -9.584 12.193 -5.875 531 HH22 ARG 65 2HH2 ARG 65 -9.832 10.546 -5.403 532 H VAL 66 H VAL 66 -1.779 13.018 -4.737 533 HA VAL 66 HA VAL 66 -2.420 14.884 -6.693 534 HB VAL 66 HB VAL 66 -0.825 16.406 -5.553 535 HG11 VAL 66 1HG1 VAL 66 -2.549 16.760 -4.203 536 HG12 VAL 66 2HG1 VAL 66 -3.110 15.105 -4.448 537 HG13 VAL 66 3HG1 VAL 66 -1.973 15.469 -3.149 538 HG21 VAL 66 3HG2 VAL 66 -0.109 13.905 -4.032 539 HG22 VAL 66 1HG2 VAL 66 0.960 14.923 -4.998 540 HG23 VAL 66 2HG2 VAL 66 0.291 15.533 -3.485 541 H GLN 67 H GLN 67 0.610 13.138 -6.148 542 HA GLN 67 HA GLN 67 2.127 14.477 -8.111 543 HB2 GLN 67 1HB GLN 67 2.385 11.800 -6.768 544 HB3 GLN 67 2HB GLN 67 3.504 12.294 -8.032 545 HG2 GLN 67 1HG GLN 67 4.078 14.288 -6.702 546 HG3 GLN 67 2HG GLN 67 3.019 13.705 -5.419 547 HE21 GLN 67 1HE2 GLN 67 3.666 12.010 -4.142 548 HE22 GLN 67 2HE2 GLN 67 5.275 11.380 -4.157 549 H HIS 68 H HIS 68 -0.346 12.120 -8.339 550 HA HIS 68 HA HIS 68 0.449 11.148 -10.946 551 HB2 HIS 68 1HB HIS 68 -0.656 9.483 -9.766 552 HB3 HIS 68 2HB HIS 68 -1.825 10.605 -9.076 553 HD1 HIS 68 1HD HIS 68 -1.158 8.533 -12.110 554 HD2 HIS 68 2HD HIS 68 -4.074 11.117 -10.669 555 HE1 HIS 68 1HE HIS 68 -3.134 8.234 -13.636 556 HE2 HIS 68 2HE HIS 68 -4.855 9.870 -12.796 557 H MET 69 H MET 69 -1.724 13.528 -9.599 558 HA MET 69 HA MET 69 -2.830 14.093 -12.253 559 HB2 MET 69 1HB MET 69 -4.122 15.820 -10.624 560 HB3 MET 69 2HB MET 69 -4.675 14.183 -10.948 561 HG2 MET 69 1HG MET 69 -3.719 13.382 -8.915 562 HG3 MET 69 2HG MET 69 -2.917 14.924 -8.627 563 HE1 MET 69 3HE MET 69 -4.279 15.577 -6.010 564 HE2 MET 69 1HE MET 69 -3.535 16.488 -7.325 565 HE3 MET 69 2HE MET 69 -5.126 16.952 -6.721 566 H GLN 70 H GLN 70 -0.411 15.141 -10.152 567 HA GLN 70 HA GLN 70 -0.390 17.901 -10.455 568 HB2 GLN 70 1HB GLN 70 1.814 17.854 -9.695 569 HB3 GLN 70 2HB GLN 70 1.135 16.372 -9.037 570 HG2 GLN 70 1HG GLN 70 2.151 15.089 -10.835 571 HG3 GLN 70 2HG GLN 70 2.804 16.570 -11.534 572 HE21 GLN 70 1HE2 GLN 70 3.947 17.921 -9.662 573 HE22 GLN 70 2HE2 GLN 70 5.139 17.018 -8.799 574 H ASP 71 H ASP 71 0.720 15.378 -12.635 575 HA ASP 71 HA ASP 71 2.130 16.993 -14.449 576 HB2 ASP 71 1HB ASP 71 0.652 14.390 -14.872 577 HB3 ASP 71 2HB ASP 71 1.702 15.133 -16.076 578 H HIS 72 H HIS 72 -1.284 16.282 -14.109 579 HA HIS 72 HA HIS 72 -1.868 18.379 -16.064 580 HB2 HIS 72 1HB HIS 72 -3.795 16.863 -16.883 581 HB3 HIS 72 2HB HIS 72 -2.169 16.535 -17.474 582 HD1 HIS 72 1HD HIS 72 -4.968 15.015 -15.654 583 HD2 HIS 72 2HD HIS 72 -0.928 14.238 -16.237 584 HE1 HIS 72 1HE HIS 72 -4.632 12.627 -14.938 585 HE2 HIS 72 2HE HIS 72 -2.164 12.207 -15.219 586 HA PRO 73 HA PRO 73 -4.486 19.489 -12.635 587 HB2 PRO 73 1HB PRO 73 -5.484 21.744 -13.769 588 HB3 PRO 73 2HB PRO 73 -3.865 21.659 -13.065 589 HG2 PRO 73 1HG PRO 73 -4.695 21.466 -15.934 590 HG3 PRO 73 2HG PRO 73 -3.334 22.349 -15.220 591 HD2 PRO 73 1HD PRO 73 -3.034 19.950 -16.439 592 HD3 PRO 73 2HD PRO 73 -2.021 20.461 -15.074 593 H ASN 74 H ASN 74 -5.334 18.085 -15.448 594 HA ASN 74 HA ASN 74 -8.108 18.760 -15.614 595 HB2 ASN 74 1HB ASN 74 -6.304 16.773 -16.915 596 HB3 ASN 74 2HB ASN 74 -8.038 16.471 -16.971 597 HD21 ASN 74 1HD2 ASN 74 -5.742 19.132 -17.461 598 HD22 ASN 74 2HD2 ASN 74 -6.523 19.772 -18.864 599 H TYR 75 H TYR 75 -8.043 18.349 -13.083 600 HA TYR 75 HA TYR 75 -9.379 15.775 -12.700 601 HB2 TYR 75 1HB TYR 75 -8.169 15.340 -10.620 602 HB3 TYR 75 2HB TYR 75 -7.052 15.433 -11.977 603 HD1 TYR 75 1HD TYR 75 -8.332 17.260 -9.028 604 HD2 TYR 75 2HD TYR 75 -5.331 17.068 -12.038 605 HE1 TYR 75 1HE TYR 75 -7.025 18.961 -7.825 606 HE2 TYR 75 2HE TYR 75 -4.015 18.767 -10.843 607 HH TYR 75 HH TYR 75 -3.776 19.685 -8.623 608 H LYS 76 H LYS 76 -10.487 15.707 -10.519 609 HA LYS 76 HA LYS 76 -12.456 17.474 -10.221 610 HB2 LYS 76 1HB LYS 76 -12.329 15.533 -8.799 611 HB3 LYS 76 2HB LYS 76 -10.908 16.168 -7.979 612 HG2 LYS 76 1HG LYS 76 -12.121 17.662 -6.735 613 HG3 LYS 76 2HG LYS 76 -13.430 17.749 -7.916 614 HD2 LYS 76 1HD LYS 76 -14.227 15.575 -7.276 615 HD3 LYS 76 2HD LYS 76 -12.831 15.324 -6.225 616 HE2 LYS 76 1HE LYS 76 -14.553 17.704 -5.751 617 HE3 LYS 76 2HE LYS 76 -15.166 16.121 -5.272 618 HZ1 LYS 76 3HZ LYS 76 -12.731 17.502 -4.311 619 HZ2 LYS 76 1HZ LYS 76 -12.977 15.845 -4.073 620 HZ3 LYS 76 2HZ LYS 76 -14.056 16.964 -3.407 621 H SER 77 H SER 77 -12.870 19.461 -9.332 622 HA SER 77 HA SER 77 -11.092 20.914 -7.698 623 HB2 SER 77 1HB SER 77 -10.189 22.533 -9.220 624 HB3 SER 77 2HB SER 77 -9.809 20.939 -9.872 625 HG SER 77 HG SER 77 -11.975 22.589 -10.678 626 H GLY 78 H GLY 78 -11.836 23.110 -7.281 627 HA2 GLY 78 1HA GLY 78 -13.689 24.701 -8.143 628 HA3 GLY 78 2HA GLY 78 -14.725 23.328 -7.784 629 HA PRO 79 HA PRO 79 -13.935 26.137 -4.012 630 HB2 PRO 79 1HB PRO 79 -16.304 27.464 -3.988 631 HB3 PRO 79 2HB PRO 79 -14.874 28.066 -4.835 632 HG2 PRO 79 1HG PRO 79 -17.245 26.602 -5.927 633 HG3 PRO 79 2HG PRO 79 -16.392 28.006 -6.596 634 HD2 PRO 79 1HD PRO 79 -15.985 25.486 -7.501 635 HD3 PRO 79 2HD PRO 79 -14.703 26.713 -7.484 636 H SER 80 H SER 80 -16.328 23.991 -5.214 637 HA SER 80 HA SER 80 -18.216 23.644 -3.347 638 HB2 SER 80 1HB SER 80 -16.577 21.604 -4.821 639 HB3 SER 80 2HB SER 80 -17.810 21.087 -3.671 640 HG SER 80 HG SER 80 -18.752 23.009 -5.327 641 H SER 81 H SER 81 -18.183 23.676 -1.209 642 HA SER 81 HA SER 81 -15.833 22.606 0.196 643 HB2 SER 81 1HB SER 81 -16.649 25.035 0.531 644 HB3 SER 81 2HB SER 81 -17.963 24.317 1.462 645 HG SER 81 HG SER 81 -16.621 24.121 3.053 646 H GLY 82 H GLY 82 -16.094 21.243 2.006 647 HA2 GLY 82 1HA GLY 82 -18.638 20.323 2.890 648 HA3 GLY 82 2HA GLY 82 -17.926 19.184 1.757 Start of MODEL 18 1 H1 GLY 1 H GLY 1 11.575 -12.888 -4.548 2 HA2 GLY 1 1HA GLY 1 13.352 -11.401 -2.953 3 HA3 GLY 1 2HA GLY 1 13.294 -11.375 -4.709 4 H SER 2 H SER 2 13.612 -9.194 -4.959 5 HA SER 2 HA SER 2 11.540 -7.437 -3.818 6 HB2 SER 2 1HB SER 2 13.165 -5.591 -4.104 7 HB3 SER 2 2HB SER 2 13.782 -6.856 -3.041 8 HG SER 2 HG SER 2 14.585 -7.597 -5.361 9 H SER 3 H SER 3 11.395 -5.333 -5.263 10 HA SER 3 HA SER 3 10.715 -6.290 -7.946 11 HB2 SER 3 1HB SER 3 9.326 -4.256 -8.099 12 HB3 SER 3 2HB SER 3 8.911 -5.217 -6.680 13 HG SER 3 HG SER 3 10.309 -3.773 -5.482 14 H GLY 4 H GLY 4 12.203 -3.435 -6.407 15 HA2 GLY 4 1HA GLY 4 14.160 -2.348 -7.085 16 HA3 GLY 4 2HA GLY 4 14.164 -3.317 -8.551 17 H SER 5 H SER 5 11.529 -2.742 -9.413 18 HA SER 5 HA SER 5 11.789 -0.689 -11.116 19 HB2 SER 5 1HB SER 5 9.294 -0.380 -11.001 20 HB3 SER 5 2HB SER 5 9.810 -2.056 -11.184 21 HG SER 5 HG SER 5 9.706 -1.852 -8.673 22 H SER 6 H SER 6 12.079 1.437 -11.039 23 HA SER 6 HA SER 6 11.786 2.794 -8.463 24 HB2 SER 6 1HB SER 6 13.226 4.512 -9.372 25 HB3 SER 6 2HB SER 6 13.953 2.940 -9.706 26 HG SER 6 HG SER 6 12.694 3.202 -11.802 27 H GLY 7 H GLY 7 9.392 2.193 -9.771 28 HA2 GLY 7 1HA GLY 7 8.090 4.678 -9.739 29 HA3 GLY 7 2HA GLY 7 8.399 4.248 -11.415 30 H ILE 8 H ILE 8 5.829 4.566 -10.584 31 HA ILE 8 HA ILE 8 4.821 1.809 -10.717 32 HB ILE 8 HB ILE 8 3.491 3.956 -9.068 33 HG12 ILE 8 1HG1 ILE 8 4.289 2.237 -7.200 34 HG13 ILE 8 2HG1 ILE 8 5.573 1.938 -8.366 35 HG21 ILE 8 1HG2 ILE 8 3.045 0.978 -9.085 36 HG22 ILE 8 2HG2 ILE 8 2.082 2.205 -8.264 37 HG23 ILE 8 3HG2 ILE 8 2.088 2.122 -10.026 38 HD11 ILE 8 3HD1 ILE 8 6.172 4.289 -8.330 39 HD12 ILE 8 1HD1 ILE 8 4.861 4.617 -7.198 40 HD13 ILE 8 2HD1 ILE 8 6.216 3.601 -6.707 41 H ARG 9 H ARG 9 2.925 1.518 -11.893 42 HA ARG 9 HA ARG 9 2.501 3.317 -14.030 43 HB2 ARG 9 1HB ARG 9 2.097 0.923 -14.264 44 HB3 ARG 9 2HB ARG 9 0.810 1.003 -13.069 45 HG2 ARG 9 1HG ARG 9 -0.332 0.970 -15.081 46 HG3 ARG 9 2HG ARG 9 -0.286 2.687 -14.677 47 HD2 ARG 9 1HD ARG 9 0.274 2.523 -16.971 48 HD3 ARG 9 2HD ARG 9 1.779 2.850 -16.112 49 HE ARG 9 HE ARG 9 1.673 0.129 -16.290 50 HH11 ARG 9 1HH1 ARG 9 1.535 2.753 -18.574 51 HH12 ARG 9 2HH1 ARG 9 2.259 1.844 -19.860 52 HH21 ARG 9 1HH2 ARG 9 2.627 -1.077 -17.974 53 HH22 ARG 9 2HH2 ARG 9 2.879 -0.335 -19.518 54 H ARG 10 H ARG 10 0.375 2.419 -11.308 55 HA ARG 10 HA ARG 10 -0.920 5.050 -11.586 56 HB2 ARG 10 1HB ARG 10 -2.974 3.812 -10.615 57 HB3 ARG 10 2HB ARG 10 -2.595 3.608 -12.320 58 HG2 ARG 10 1HG ARG 10 -1.536 1.664 -10.318 59 HG3 ARG 10 2HG ARG 10 -3.207 1.546 -10.875 60 HD2 ARG 10 1HD ARG 10 -1.059 1.839 -12.911 61 HD3 ARG 10 2HD ARG 10 -1.231 0.282 -12.101 62 HE ARG 10 HE ARG 10 -2.897 1.309 -14.137 63 HH11 ARG 10 1HH1 ARG 10 -3.023 -0.481 -11.154 64 HH12 ARG 10 2HH1 ARG 10 -4.468 -1.338 -11.577 65 HH21 ARG 10 1HH2 ARG 10 -4.800 0.187 -14.706 66 HH22 ARG 10 2HH2 ARG 10 -5.478 -0.958 -13.598 67 HA PRO 11 HA PRO 11 -0.083 5.762 -7.337 68 HB2 PRO 11 1HB PRO 11 -2.264 7.192 -6.584 69 HB3 PRO 11 2HB PRO 11 -0.995 7.851 -7.623 70 HG2 PRO 11 1HG PRO 11 -3.665 6.726 -8.376 71 HG3 PRO 11 2HG PRO 11 -2.847 8.174 -8.991 72 HD2 PRO 11 1HD PRO 11 -2.869 5.828 -10.343 73 HD3 PRO 11 2HD PRO 11 -1.505 6.962 -10.421 74 H MET 12 H MET 12 -1.124 5.618 -5.101 75 HA MET 12 HA MET 12 -3.079 3.426 -4.979 76 HB2 MET 12 1HB MET 12 -0.788 3.588 -3.042 77 HB3 MET 12 2HB MET 12 -1.833 2.219 -3.398 78 HG2 MET 12 1HG MET 12 -0.768 2.393 -5.773 79 HG3 MET 12 2HG MET 12 0.503 3.266 -4.918 80 HE1 MET 12 3HE MET 12 0.810 2.397 -2.430 81 HE2 MET 12 1HE MET 12 1.015 0.697 -2.004 82 HE3 MET 12 2HE MET 12 2.278 1.540 -2.900 83 H ASN 13 H ASN 13 -4.411 3.393 -3.134 84 HA ASN 13 HA ASN 13 -4.668 6.005 -1.847 85 HB2 ASN 13 1HB ASN 13 -6.865 4.834 -1.005 86 HB3 ASN 13 2HB ASN 13 -6.755 5.424 -2.661 87 HD21 ASN 13 1HD2 ASN 13 -6.873 2.642 -0.610 88 HD22 ASN 13 2HD2 ASN 13 -7.104 1.472 -1.859 89 H ALA 14 H ALA 14 -5.842 5.575 0.480 90 HA ALA 14 HA ALA 14 -3.762 4.820 2.203 91 HB1 ALA 14 3HB ALA 14 -5.394 5.066 4.003 92 HB2 ALA 14 1HB ALA 14 -5.509 6.395 2.849 93 HB3 ALA 14 2HB ALA 14 -6.701 5.096 2.820 94 H PHE 15 H PHE 15 -6.636 3.077 1.108 95 HA PHE 15 HA PHE 15 -6.275 0.826 2.798 96 HB2 PHE 15 1HB PHE 15 -8.439 0.958 1.994 97 HB3 PHE 15 2HB PHE 15 -7.922 1.425 0.377 98 HD1 PHE 15 2HD PHE 15 -7.017 -0.297 -1.167 99 HD2 PHE 15 1HD PHE 15 -8.779 -1.304 2.574 100 HE1 PHE 15 2HE PHE 15 -7.288 -2.622 -1.924 101 HE2 PHE 15 1HE PHE 15 -9.051 -3.631 1.824 102 HZ PHE 15 HZ PHE 15 -8.306 -4.293 -0.429 103 H MET 16 H MET 16 -5.542 1.365 -0.645 104 HA MET 16 HA MET 16 -4.367 -1.138 -1.120 105 HB2 MET 16 1HB MET 16 -4.091 1.541 -2.463 106 HB3 MET 16 2HB MET 16 -3.190 0.137 -3.021 107 HG2 MET 16 1HG MET 16 -5.659 -0.910 -2.930 108 HG3 MET 16 2HG MET 16 -6.053 0.775 -3.263 109 HE1 MET 16 3HE MET 16 -3.258 1.038 -6.263 110 HE2 MET 16 1HE MET 16 -4.533 2.062 -5.602 111 HE3 MET 16 2HE MET 16 -3.269 1.435 -4.544 112 H VAL 17 H VAL 17 -2.904 1.976 -0.231 113 HA VAL 17 HA VAL 17 -0.233 1.267 -0.297 114 HB VAL 17 HB VAL 17 -1.631 3.136 1.619 115 HG11 VAL 17 1HG1 VAL 17 0.609 2.303 2.407 116 HG12 VAL 17 2HG1 VAL 17 1.311 3.073 0.983 117 HG13 VAL 17 3HG1 VAL 17 0.483 4.049 2.197 118 HG21 VAL 17 3HG2 VAL 17 -1.310 3.345 -1.098 119 HG22 VAL 17 1HG2 VAL 17 -1.564 4.692 0.013 120 HG23 VAL 17 2HG2 VAL 17 0.072 4.247 -0.475 121 H TRP 18 H TRP 18 -2.330 1.231 2.592 122 HA TRP 18 HA TRP 18 -0.496 -0.033 4.284 123 HB2 TRP 18 1HB TRP 18 -2.235 0.892 5.472 124 HB3 TRP 18 2HB TRP 18 -3.448 0.381 4.301 125 HD1 TRP 18 HD TRP 18 -1.727 -0.714 7.488 126 HE1 TRP 18 1HE TRP 18 -2.823 -2.882 8.341 127 HE3 TRP 18 3HE TRP 18 -4.644 -1.800 3.432 128 HZ2 TRP 18 2HZ TRP 18 -4.678 -4.798 7.416 129 HZ3 TRP 18 3HZ TRP 18 -6.049 -3.819 3.496 130 HH2 TRP 18 HH TRP 18 -6.064 -5.286 5.448 131 H ALA 19 H ALA 19 -2.596 -1.307 1.837 132 HA ALA 19 HA ALA 19 -2.534 -4.023 2.740 133 HB1 ALA 19 3HB ALA 19 -4.362 -3.706 1.414 134 HB2 ALA 19 1HB ALA 19 -3.521 -2.601 0.326 135 HB3 ALA 19 2HB ALA 19 -3.239 -4.338 0.210 136 H LYS 20 H LYS 20 -0.735 -2.129 0.355 137 HA LYS 20 HA LYS 20 0.674 -3.870 -1.085 138 HB2 LYS 20 1HB LYS 20 2.310 -2.272 -1.349 139 HB3 LYS 20 2HB LYS 20 1.010 -1.292 -0.685 140 HG2 LYS 20 1HG LYS 20 2.136 -1.878 1.600 141 HG3 LYS 20 2HG LYS 20 3.547 -2.191 0.588 142 HD2 LYS 20 1HD LYS 20 1.981 0.362 0.364 143 HD3 LYS 20 2HD LYS 20 3.269 0.166 1.557 144 HE2 LYS 20 1HE LYS 20 3.703 -0.402 -1.361 145 HE3 LYS 20 2HE LYS 20 3.880 1.220 -0.693 146 HZ1 LYS 20 3HZ LYS 20 5.303 -0.481 0.966 147 HZ2 LYS 20 1HZ LYS 20 5.927 0.665 -0.110 148 HZ3 LYS 20 2HZ LYS 20 5.703 -0.933 -0.614 149 H ASP 21 H ASP 21 1.039 -3.415 2.368 150 HA ASP 21 HA ASP 21 3.271 -5.286 2.482 151 HB2 ASP 21 1HB ASP 21 3.143 -3.168 3.886 152 HB3 ASP 21 2HB ASP 21 1.882 -3.971 4.817 153 H GLU 22 H GLU 22 -0.098 -5.035 3.533 154 HA GLU 22 HA GLU 22 -0.186 -7.515 4.891 155 HB2 GLU 22 1HB GLU 22 -2.401 -5.891 3.628 156 HB3 GLU 22 2HB GLU 22 -2.657 -7.277 4.679 157 HG2 GLU 22 1HG GLU 22 -1.784 -4.530 5.337 158 HG3 GLU 22 2HG GLU 22 -2.869 -5.616 6.203 159 H ARG 23 H ARG 23 -1.454 -6.601 1.683 160 HA ARG 23 HA ARG 23 -2.431 -8.912 0.735 161 HB2 ARG 23 1HB ARG 23 -2.208 -6.789 -0.557 162 HB3 ARG 23 2HB ARG 23 -0.520 -7.187 -0.848 163 HG2 ARG 23 1HG ARG 23 -1.411 -9.360 -1.875 164 HG3 ARG 23 2HG ARG 23 -2.975 -8.542 -1.898 165 HD2 ARG 23 1HD ARG 23 -2.148 -8.030 -3.989 166 HD3 ARG 23 2HD ARG 23 -1.648 -6.623 -3.051 167 HE ARG 23 HE ARG 23 0.072 -8.732 -4.095 168 HH11 ARG 23 1HH1 ARG 23 -0.267 -5.853 -2.167 169 HH12 ARG 23 2HH1 ARG 23 1.428 -5.493 -2.171 170 HH21 ARG 23 1HH2 ARG 23 2.306 -8.269 -4.108 171 HH22 ARG 23 2HH2 ARG 23 2.890 -6.868 -3.276 172 H LYS 24 H LYS 24 1.032 -8.083 0.522 173 HA LYS 24 HA LYS 24 2.097 -10.273 -0.626 174 HB2 LYS 24 1HB LYS 24 3.136 -8.841 1.824 175 HB3 LYS 24 2HB LYS 24 4.083 -9.982 0.877 176 HG2 LYS 24 1HG LYS 24 3.385 -8.371 -1.098 177 HG3 LYS 24 2HG LYS 24 3.234 -7.215 0.227 178 HD2 LYS 24 1HD LYS 24 5.436 -6.905 -0.292 179 HD3 LYS 24 2HD LYS 24 5.599 -8.216 0.880 180 HE2 LYS 24 1HE LYS 24 6.091 -9.774 -0.730 181 HE3 LYS 24 2HE LYS 24 5.212 -8.909 -1.990 182 HZ1 LYS 24 3HZ LYS 24 6.989 -7.239 -1.988 183 HZ2 LYS 24 1HZ LYS 24 7.565 -8.778 -2.391 184 HZ3 LYS 24 2HZ LYS 24 7.844 -8.148 -0.847 185 H ARG 25 H ARG 25 1.120 -10.056 2.778 186 HA ARG 25 HA ARG 25 1.923 -12.673 3.484 187 HB2 ARG 25 1HB ARG 25 1.049 -12.221 5.551 188 HB3 ARG 25 2HB ARG 25 1.200 -10.579 4.939 189 HG2 ARG 25 1HG ARG 25 -1.255 -11.044 4.090 190 HG3 ARG 25 2HG ARG 25 -1.229 -12.216 5.410 191 HD2 ARG 25 1HD ARG 25 -0.257 -10.191 6.766 192 HD3 ARG 25 2HD ARG 25 -1.033 -9.241 5.500 193 HE ARG 25 HE ARG 25 -3.077 -9.783 6.386 194 HH11 ARG 25 1HH1 ARG 25 -0.639 -11.861 7.748 195 HH12 ARG 25 2HH1 ARG 25 -1.700 -12.545 8.936 196 HH21 ARG 25 1HH2 ARG 25 -4.483 -10.675 7.945 197 HH22 ARG 25 2HH2 ARG 25 -3.886 -11.870 9.046 198 H LEU 26 H LEU 26 -1.022 -11.351 2.117 199 HA LEU 26 HA LEU 26 -2.662 -13.621 2.520 200 HB2 LEU 26 1HB LEU 26 -2.881 -11.574 0.321 201 HB3 LEU 26 2HB LEU 26 -4.163 -12.619 0.931 202 HG LEU 26 HG LEU 26 -2.895 -10.257 2.303 203 HD11 LEU 26 1HD1 LEU 26 -5.606 -10.883 1.190 204 HD12 LEU 26 2HD1 LEU 26 -4.569 -9.492 0.876 205 HD13 LEU 26 3HD1 LEU 26 -5.384 -9.650 2.432 206 HD21 LEU 26 3HD2 LEU 26 -4.375 -10.770 4.202 207 HD22 LEU 26 1HD2 LEU 26 -3.151 -12.014 3.950 208 HD23 LEU 26 2HD2 LEU 26 -4.812 -12.295 3.430 209 H ALA 27 H ALA 27 -0.631 -12.577 -0.189 210 HA ALA 27 HA ALA 27 -1.315 -14.561 -2.022 211 HB1 ALA 27 3HB ALA 27 0.453 -13.830 -3.279 212 HB2 ALA 27 1HB ALA 27 0.239 -12.446 -2.206 213 HB3 ALA 27 2HB ALA 27 1.508 -13.628 -1.880 214 H GLN 28 H GLN 28 1.392 -14.533 0.301 215 HA GLN 28 HA GLN 28 2.310 -17.123 -0.279 216 HB2 GLN 28 1HB GLN 28 3.490 -16.977 1.884 217 HB3 GLN 28 2HB GLN 28 3.697 -15.528 0.910 218 HG2 GLN 28 1HG GLN 28 2.424 -14.235 2.312 219 HG3 GLN 28 2HG GLN 28 1.516 -15.612 2.934 220 HE21 GLN 28 1HE2 GLN 28 2.031 -14.458 4.977 221 HE22 GLN 28 2HE2 GLN 28 3.512 -14.857 5.771 222 H GLN 29 H GLN 29 -0.187 -15.947 1.877 223 HA GLN 29 HA GLN 29 -0.540 -18.429 3.257 224 HB2 GLN 29 1HB GLN 29 -1.921 -15.798 3.183 225 HB3 GLN 29 2HB GLN 29 -2.855 -17.179 3.741 226 HG2 GLN 29 1HG GLN 29 -0.699 -17.565 5.227 227 HG3 GLN 29 2HG GLN 29 -0.531 -15.827 4.985 228 HE21 GLN 29 1HE2 GLN 29 -1.664 -14.510 6.243 229 HE22 GLN 29 2HE2 GLN 29 -2.944 -14.987 7.300 230 H ASN 30 H ASN 30 -1.917 -16.922 0.413 231 HA ASN 30 HA ASN 30 -3.390 -19.411 -0.115 232 HB2 ASN 30 1HB ASN 30 -4.411 -16.608 -0.630 233 HB3 ASN 30 2HB ASN 30 -5.229 -18.095 -1.100 234 HD21 ASN 30 1HD2 ASN 30 -5.104 -15.725 1.164 235 HD22 ASN 30 2HD2 ASN 30 -5.852 -16.548 2.487 236 HA PRO 31 HA PRO 31 -0.587 -18.476 -3.645 237 HB2 PRO 31 1HB PRO 31 0.036 -21.077 -4.112 238 HB3 PRO 31 2HB PRO 31 0.882 -20.086 -2.918 239 HG2 PRO 31 1HG PRO 31 -1.307 -22.087 -2.510 240 HG3 PRO 31 2HG PRO 31 0.170 -21.836 -1.562 241 HD2 PRO 31 1HD PRO 31 -2.243 -20.890 -0.777 242 HD3 PRO 31 2HD PRO 31 -0.723 -20.050 -0.409 243 H ASP 32 H ASP 32 -3.539 -20.034 -3.197 244 HA ASP 32 HA ASP 32 -3.838 -20.583 -6.072 245 HB2 ASP 32 1HB ASP 32 -5.034 -21.771 -3.621 246 HB3 ASP 32 2HB ASP 32 -6.056 -21.680 -5.053 247 H LEU 33 H LEU 33 -4.780 -18.488 -3.547 248 HA LEU 33 HA LEU 33 -7.218 -17.600 -4.835 249 HB2 LEU 33 1HB LEU 33 -5.731 -16.663 -2.393 250 HB3 LEU 33 2HB LEU 33 -7.196 -15.888 -2.990 251 HG LEU 33 HG LEU 33 -6.938 -18.697 -1.922 252 HD11 LEU 33 1HD1 LEU 33 -8.003 -17.975 -0.026 253 HD12 LEU 33 2HD1 LEU 33 -8.753 -16.600 -0.835 254 HD13 LEU 33 3HD1 LEU 33 -7.040 -16.551 -0.420 255 HD21 LEU 33 3HD2 LEU 33 -8.711 -19.202 -3.165 256 HD22 LEU 33 1HD2 LEU 33 -8.872 -17.537 -3.724 257 HD23 LEU 33 2HD2 LEU 33 -9.628 -18.036 -2.211 258 H HIS 34 H HIS 34 -7.558 -15.382 -5.486 259 HA HIS 34 HA HIS 34 -5.090 -14.090 -6.449 260 HB2 HIS 34 1HB HIS 34 -6.513 -13.210 -8.331 261 HB3 HIS 34 2HB HIS 34 -6.255 -14.952 -8.354 262 HD1 HIS 34 1HD HIS 34 -8.884 -12.408 -8.309 263 HD2 HIS 34 2HD HIS 34 -8.568 -16.466 -7.474 264 HE1 HIS 34 1HE HIS 34 -11.244 -13.276 -8.285 265 HE2 HIS 34 2HE HIS 34 -11.033 -15.715 -7.694 266 H ASN 35 H ASN 35 -5.546 -11.699 -7.029 267 HA ASN 35 HA ASN 35 -5.806 -10.142 -4.887 268 HB2 ASN 35 1HB ASN 35 -5.527 -9.528 -7.428 269 HB3 ASN 35 2HB ASN 35 -7.254 -9.193 -7.331 270 HD21 ASN 35 1HD2 ASN 35 -4.091 -8.306 -6.159 271 HD22 ASN 35 2HD2 ASN 35 -4.538 -6.754 -5.546 272 H ALA 36 H ALA 36 -8.651 -10.453 -7.010 273 HA ALA 36 HA ALA 36 -10.606 -9.399 -5.534 274 HB1 ALA 36 3HB ALA 36 -12.146 -10.653 -6.710 275 HB2 ALA 36 1HB ALA 36 -10.718 -10.775 -7.738 276 HB3 ALA 36 2HB ALA 36 -11.151 -12.109 -6.668 277 H GLU 37 H GLU 37 -9.177 -12.576 -4.934 278 HA GLU 37 HA GLU 37 -10.932 -13.177 -2.745 279 HB2 GLU 37 1HB GLU 37 -8.380 -14.452 -3.731 280 HB3 GLU 37 2HB GLU 37 -9.277 -15.050 -2.342 281 HG2 GLU 37 1HG GLU 37 -10.753 -14.672 -4.885 282 HG3 GLU 37 2HG GLU 37 -9.628 -16.024 -4.771 283 H LEU 38 H LEU 38 -7.613 -12.006 -3.083 284 HA LEU 38 HA LEU 38 -6.919 -12.054 -0.364 285 HB2 LEU 38 1HB LEU 38 -5.922 -10.018 -2.334 286 HB3 LEU 38 2HB LEU 38 -5.082 -10.688 -0.937 287 HG LEU 38 HG LEU 38 -5.674 -12.075 -3.548 288 HD11 LEU 38 1HD1 LEU 38 -3.468 -10.535 -2.561 289 HD12 LEU 38 2HD1 LEU 38 -3.697 -11.272 -4.146 290 HD13 LEU 38 3HD1 LEU 38 -2.963 -12.202 -2.840 291 HD21 LEU 38 3HD2 LEU 38 -5.952 -13.734 -1.886 292 HD22 LEU 38 1HD2 LEU 38 -4.579 -13.138 -0.955 293 HD23 LEU 38 2HD2 LEU 38 -4.313 -13.933 -2.506 294 H SER 39 H SER 39 -8.231 -9.423 -2.366 295 HA SER 39 HA SER 39 -8.268 -7.344 -0.618 296 HB2 SER 39 1HB SER 39 -9.324 -7.688 -3.048 297 HB3 SER 39 2HB SER 39 -10.809 -7.807 -2.103 298 HG SER 39 HG SER 39 -8.994 -5.695 -1.676 299 H LYS 40 H LYS 40 -10.871 -9.765 -0.893 300 HA LYS 40 HA LYS 40 -12.641 -9.028 0.968 301 HB2 LYS 40 1HB LYS 40 -11.482 -11.782 0.550 302 HB3 LYS 40 2HB LYS 40 -12.868 -11.483 1.591 303 HG2 LYS 40 1HG LYS 40 -12.997 -10.428 -1.172 304 HG3 LYS 40 2HG LYS 40 -13.116 -12.176 -0.958 305 HD2 LYS 40 1HD LYS 40 -14.891 -11.660 0.807 306 HD3 LYS 40 2HD LYS 40 -14.906 -10.025 0.142 307 HE2 LYS 40 1HE LYS 40 -15.566 -10.839 -2.011 308 HE3 LYS 40 2HE LYS 40 -15.341 -12.513 -1.503 309 HZ1 LYS 40 3HZ LYS 40 -17.098 -11.690 0.308 310 HZ2 LYS 40 1HZ LYS 40 -17.549 -12.381 -1.170 311 HZ3 LYS 40 2HZ LYS 40 -17.551 -10.700 -0.987 312 H MET 41 H MET 41 -9.388 -10.111 1.631 313 HA MET 41 HA MET 41 -9.864 -10.085 4.511 314 HB2 MET 41 1HB MET 41 -7.269 -10.653 3.078 315 HB3 MET 41 2HB MET 41 -7.682 -11.046 4.742 316 HG2 MET 41 1HG MET 41 -9.249 -12.703 4.034 317 HG3 MET 41 2HG MET 41 -9.075 -12.216 2.349 318 HE1 MET 41 3HE MET 41 -6.454 -14.055 0.902 319 HE2 MET 41 1HE MET 41 -7.948 -14.905 1.301 320 HE3 MET 41 2HE MET 41 -7.996 -13.198 0.862 321 H LEU 42 H LEU 42 -8.113 -8.320 2.019 322 HA LEU 42 HA LEU 42 -6.666 -6.618 3.752 323 HB2 LEU 42 1HB LEU 42 -7.559 -6.167 0.909 324 HB3 LEU 42 2HB LEU 42 -6.360 -5.201 1.766 325 HG LEU 42 HG LEU 42 -6.047 -8.138 1.156 326 HD11 LEU 42 1HD1 LEU 42 -5.644 -7.521 -0.941 327 HD12 LEU 42 2HD1 LEU 42 -4.204 -6.704 -0.333 328 HD13 LEU 42 3HD1 LEU 42 -5.710 -5.808 -0.529 329 HD21 LEU 42 3HD2 LEU 42 -4.795 -6.805 3.082 330 HD22 LEU 42 1HD2 LEU 42 -3.782 -6.309 1.726 331 HD23 LEU 42 2HD2 LEU 42 -3.980 -8.022 2.098 332 H GLY 43 H GLY 43 -9.947 -6.640 2.678 333 HA2 GLY 43 1HA GLY 43 -10.443 -3.854 3.240 334 HA3 GLY 43 2HA GLY 43 -11.647 -5.072 2.847 335 H LYS 44 H LYS 44 -11.511 -6.902 4.754 336 HA LYS 44 HA LYS 44 -12.832 -5.779 6.926 337 HB2 LYS 44 1HB LYS 44 -12.689 -7.934 7.970 338 HB3 LYS 44 2HB LYS 44 -12.899 -8.184 6.242 339 HG2 LYS 44 1HG LYS 44 -10.582 -8.724 5.975 340 HG3 LYS 44 2HG LYS 44 -10.240 -8.284 7.650 341 HD2 LYS 44 1HD LYS 44 -10.360 -10.654 7.575 342 HD3 LYS 44 2HD LYS 44 -11.852 -10.096 8.336 343 HE2 LYS 44 1HE LYS 44 -13.144 -10.643 6.509 344 HE3 LYS 44 2HE LYS 44 -11.792 -10.523 5.384 345 HZ1 LYS 44 3HZ LYS 44 -11.963 -12.762 5.495 346 HZ2 LYS 44 1HZ LYS 44 -12.631 -12.764 7.049 347 HZ3 LYS 44 2HZ LYS 44 -10.965 -12.552 6.845 348 H SER 45 H SER 45 -9.417 -6.482 6.467 349 HA SER 45 HA SER 45 -8.702 -5.876 9.182 350 HB2 SER 45 1HB SER 45 -7.152 -6.432 6.666 351 HB3 SER 45 2HB SER 45 -6.334 -5.839 8.112 352 HG SER 45 HG SER 45 -8.035 -8.103 8.127 353 H TRP 46 H TRP 46 -8.973 -4.120 6.189 354 HA TRP 46 HA TRP 46 -7.423 -1.864 6.934 355 HB2 TRP 46 1HB TRP 46 -7.928 -2.306 4.598 356 HB3 TRP 46 2HB TRP 46 -9.654 -2.143 4.910 357 HD1 TRP 46 HD TRP 46 -10.558 0.102 4.113 358 HE1 TRP 46 1HE TRP 46 -9.644 2.497 3.888 359 HE3 TRP 46 3HE TRP 46 -5.836 -0.660 5.919 360 HZ2 TRP 46 2HZ TRP 46 -7.239 3.880 4.407 361 HZ3 TRP 46 3HZ TRP 46 -4.290 1.252 6.020 362 HH2 TRP 46 HH TRP 46 -4.979 3.474 5.279 363 H LYS 47 H LYS 47 -10.957 -1.976 6.475 364 HA LYS 47 HA LYS 47 -11.628 0.349 7.739 365 HB2 LYS 47 1HB LYS 47 -13.028 -2.235 7.307 366 HB3 LYS 47 2HB LYS 47 -13.747 -1.124 8.465 367 HG2 LYS 47 1HG LYS 47 -14.240 0.443 6.866 368 HG3 LYS 47 2HG LYS 47 -12.957 -0.099 5.783 369 HD2 LYS 47 1HD LYS 47 -15.356 -1.802 6.405 370 HD3 LYS 47 2HD LYS 47 -15.357 -0.618 5.095 371 HE2 LYS 47 1HE LYS 47 -13.153 -2.628 5.287 372 HE3 LYS 47 2HE LYS 47 -14.714 -3.102 4.619 373 HZ1 LYS 47 3HZ LYS 47 -13.639 -2.407 2.748 374 HZ2 LYS 47 1HZ LYS 47 -12.730 -1.228 3.552 375 HZ3 LYS 47 2HZ LYS 47 -14.362 -0.948 3.209 376 H ALA 48 H ALA 48 -10.792 -2.719 9.212 377 HA ALA 48 HA ALA 48 -11.671 -2.227 11.824 378 HB1 ALA 48 3HB ALA 48 -9.231 -3.821 11.063 379 HB2 ALA 48 1HB ALA 48 -10.231 -4.004 12.504 380 HB3 ALA 48 2HB ALA 48 -10.884 -4.420 10.919 381 H LEU 49 H LEU 49 -8.681 -1.341 10.175 382 HA LEU 49 HA LEU 49 -7.183 -0.479 12.352 383 HB2 LEU 49 1HB LEU 49 -7.272 0.527 9.516 384 HB3 LEU 49 2HB LEU 49 -6.073 1.052 10.696 385 HG LEU 49 HG LEU 49 -6.428 -1.810 9.815 386 HD11 LEU 49 1HD1 LEU 49 -4.014 -0.890 8.841 387 HD12 LEU 49 2HD1 LEU 49 -5.133 0.429 8.501 388 HD13 LEU 49 3HD1 LEU 49 -5.475 -1.194 7.901 389 HD21 LEU 49 3HD2 LEU 49 -4.636 -0.380 11.694 390 HD22 LEU 49 1HD2 LEU 49 -3.927 -1.659 10.709 391 HD23 LEU 49 2HD2 LEU 49 -5.289 -2.017 11.771 392 H THR 50 H THR 50 -6.748 1.660 13.144 393 HA THR 50 HA THR 50 -9.163 3.329 13.173 394 HB THR 50 HB THR 50 -8.546 4.134 15.278 395 HG1 THR 50 1HG THR 50 -6.275 3.468 16.031 396 HG21 THR 50 3HG2 THR 50 -8.542 2.246 16.571 397 HG22 THR 50 1HG2 THR 50 -7.274 1.468 15.625 398 HG23 THR 50 2HG2 THR 50 -8.926 1.521 15.010 399 H LEU 51 H LEU 51 -8.874 5.681 13.242 400 HA LEU 51 HA LEU 51 -7.680 6.774 11.083 401 HB2 LEU 51 1HB LEU 51 -9.190 7.983 12.581 402 HB3 LEU 51 2HB LEU 51 -7.910 8.085 13.788 403 HG LEU 51 HG LEU 51 -8.449 10.141 12.297 404 HD11 LEU 51 1HD1 LEU 51 -6.232 9.305 13.712 405 HD12 LEU 51 2HD1 LEU 51 -6.531 10.932 13.102 406 HD13 LEU 51 3HD1 LEU 51 -5.572 9.797 12.153 407 HD21 LEU 51 3HD2 LEU 51 -8.338 8.872 10.174 408 HD22 LEU 51 1HD2 LEU 51 -6.617 8.610 10.455 409 HD23 LEU 51 2HD2 LEU 51 -7.232 10.246 10.220 410 H ALA 52 H ALA 52 -6.186 6.839 14.325 411 HA ALA 52 HA ALA 52 -3.745 7.913 13.662 412 HB1 ALA 52 3HB ALA 52 -4.692 7.229 15.959 413 HB2 ALA 52 1HB ALA 52 -3.922 5.674 15.643 414 HB3 ALA 52 2HB ALA 52 -2.949 7.143 15.706 415 H GLU 53 H GLU 53 -4.908 4.660 13.127 416 HA GLU 53 HA GLU 53 -2.329 3.588 12.447 417 HB2 GLU 53 1HB GLU 53 -5.100 2.479 11.964 418 HB3 GLU 53 2HB GLU 53 -3.597 1.595 11.741 419 HG2 GLU 53 1HG GLU 53 -3.187 2.208 14.237 420 HG3 GLU 53 2HG GLU 53 -4.933 2.451 14.264 421 H LYS 54 H LYS 54 -5.030 5.008 10.738 422 HA LYS 54 HA LYS 54 -3.943 4.321 8.137 423 HB2 LYS 54 1HB LYS 54 -6.285 6.119 8.778 424 HB3 LYS 54 2HB LYS 54 -5.905 5.388 7.224 425 HG2 LYS 54 1HG LYS 54 -6.399 3.199 8.065 426 HG3 LYS 54 2HG LYS 54 -6.601 3.827 9.702 427 HD2 LYS 54 1HD LYS 54 -8.791 3.737 9.063 428 HD3 LYS 54 2HD LYS 54 -8.395 5.361 8.496 429 HE2 LYS 54 1HE LYS 54 -7.995 4.494 6.256 430 HE3 LYS 54 2HE LYS 54 -8.330 2.856 6.815 431 HZ1 LYS 54 3HZ LYS 54 -10.375 4.912 7.232 432 HZ2 LYS 54 1HZ LYS 54 -10.555 3.254 6.946 433 HZ3 LYS 54 2HZ LYS 54 -10.171 4.295 5.670 434 H ARG 55 H ARG 55 -3.419 6.699 10.426 435 HA ARG 55 HA ARG 55 -3.172 9.054 8.974 436 HB2 ARG 55 1HB ARG 55 -2.791 8.436 11.544 437 HB3 ARG 55 2HB ARG 55 -1.109 8.463 11.033 438 HG2 ARG 55 1HG ARG 55 -1.460 10.623 11.768 439 HG3 ARG 55 2HG ARG 55 -1.690 10.766 10.024 440 HD2 ARG 55 1HD ARG 55 -4.190 10.304 10.600 441 HD3 ARG 55 2HD ARG 55 -3.718 10.821 12.218 442 HE ARG 55 HE ARG 55 -2.769 12.790 10.606 443 HH11 ARG 55 1HH1 ARG 55 -5.887 11.303 11.043 444 HH12 ARG 55 2HH1 ARG 55 -6.772 12.731 10.618 445 HH21 ARG 55 1HH2 ARG 55 -3.923 14.676 10.046 446 HH22 ARG 55 2HH2 ARG 55 -5.654 14.648 10.051 447 HA PRO 56 HA PRO 56 1.399 7.725 8.027 448 HB2 PRO 56 1HB PRO 56 1.945 5.075 8.253 449 HB3 PRO 56 2HB PRO 56 2.150 6.215 9.588 450 HG2 PRO 56 1HG PRO 56 -0.106 4.326 9.040 451 HG3 PRO 56 2HG PRO 56 0.700 4.690 10.577 452 HD2 PRO 56 1HD PRO 56 -1.685 5.773 9.892 453 HD3 PRO 56 2HD PRO 56 -0.496 6.635 10.889 454 H PHE 57 H PHE 57 -1.228 5.493 7.300 455 HA PHE 57 HA PHE 57 -0.150 4.944 4.651 456 HB2 PHE 57 1HB PHE 57 -2.750 3.967 5.841 457 HB3 PHE 57 2HB PHE 57 -1.908 3.316 4.439 458 HD1 PHE 57 1HD PHE 57 0.582 2.547 4.946 459 HD2 PHE 57 2HD PHE 57 -2.529 2.861 7.835 460 HE1 PHE 57 1HE PHE 57 1.774 0.958 6.398 461 HE2 PHE 57 2HE PHE 57 -1.341 1.274 9.292 462 HZ PHE 57 HZ PHE 57 0.814 0.321 8.574 463 H VAL 58 H VAL 58 -2.155 7.204 6.124 464 HA VAL 58 HA VAL 58 -3.795 7.680 3.760 465 HB VAL 58 HB VAL 58 -3.786 8.829 6.535 466 HG11 VAL 58 1HG1 VAL 58 -5.319 9.883 4.161 467 HG12 VAL 58 2HG1 VAL 58 -5.584 10.357 5.840 468 HG13 VAL 58 3HG1 VAL 58 -4.052 10.728 5.049 469 HG21 VAL 58 3HG2 VAL 58 -6.267 7.947 5.227 470 HG22 VAL 58 1HG2 VAL 58 -5.064 6.683 5.486 471 HG23 VAL 58 2HG2 VAL 58 -5.663 7.625 6.852 472 H GLU 59 H GLU 59 -1.199 9.196 5.605 473 HA GLU 59 HA GLU 59 -1.159 11.595 4.052 474 HB2 GLU 59 1HB GLU 59 1.001 10.439 5.823 475 HB3 GLU 59 2HB GLU 59 0.915 12.094 5.236 476 HG2 GLU 59 1HG GLU 59 -1.372 11.032 6.806 477 HG3 GLU 59 2HG GLU 59 0.117 11.444 7.654 478 H GLU 60 H GLU 60 -0.012 8.436 3.552 479 HA GLU 60 HA GLU 60 2.154 9.191 1.784 480 HB2 GLU 60 1HB GLU 60 2.586 7.201 2.952 481 HB3 GLU 60 2HB GLU 60 0.970 6.573 2.662 482 HG2 GLU 60 1HG GLU 60 1.466 5.877 0.538 483 HG3 GLU 60 2HG GLU 60 2.759 7.057 0.336 484 H ALA 61 H ALA 61 -0.863 7.326 1.379 485 HA ALA 61 HA ALA 61 -0.890 7.120 -1.360 486 HB1 ALA 61 3HB ALA 61 -3.562 7.595 -0.603 487 HB2 ALA 61 1HB ALA 61 -2.757 6.044 -0.839 488 HB3 ALA 61 2HB ALA 61 -2.778 6.793 0.758 489 H GLU 62 H GLU 62 -1.826 9.870 0.627 490 HA GLU 62 HA GLU 62 -3.068 11.409 -1.365 491 HB2 GLU 62 1HB GLU 62 -3.348 12.040 0.921 492 HB3 GLU 62 2HB GLU 62 -1.613 12.189 1.159 493 HG2 GLU 62 1HG GLU 62 -1.505 14.230 0.157 494 HG3 GLU 62 2HG GLU 62 -2.884 13.911 -0.893 495 H ARG 63 H ARG 63 0.308 11.315 -0.269 496 HA ARG 63 HA ARG 63 1.261 13.341 -1.973 497 HB2 ARG 63 1HB ARG 63 2.718 10.978 -0.775 498 HB3 ARG 63 2HB ARG 63 3.498 12.356 -1.540 499 HG2 ARG 63 1HG ARG 63 2.803 13.825 0.169 500 HG3 ARG 63 2HG ARG 63 1.667 12.643 0.822 501 HD2 ARG 63 1HD ARG 63 3.355 11.351 1.758 502 HD3 ARG 63 2HD ARG 63 4.592 12.027 0.699 503 HE ARG 63 HE ARG 63 3.624 14.100 2.280 504 HH11 ARG 63 1HH1 ARG 63 5.348 11.102 2.677 505 HH12 ARG 63 2HH1 ARG 63 6.205 11.630 4.087 506 HH21 ARG 63 1HH2 ARG 63 4.746 14.807 4.136 507 HH22 ARG 63 2HH2 ARG 63 5.861 13.737 4.917 508 H LEU 64 H LEU 64 0.437 10.043 -2.544 509 HA LEU 64 HA LEU 64 1.954 9.846 -5.003 510 HB2 LEU 64 1HB LEU 64 -0.168 7.972 -3.983 511 HB3 LEU 64 2HB LEU 64 1.077 7.633 -5.184 512 HG LEU 64 HG LEU 64 1.510 8.074 -2.230 513 HD11 LEU 64 1HD1 LEU 64 1.007 5.912 -2.096 514 HD12 LEU 64 2HD1 LEU 64 2.499 5.603 -2.984 515 HD13 LEU 64 3HD1 LEU 64 0.969 5.734 -3.851 516 HD21 LEU 64 3HD2 LEU 64 3.459 8.900 -3.143 517 HD22 LEU 64 1HD2 LEU 64 3.386 7.826 -4.541 518 HD23 LEU 64 2HD2 LEU 64 3.849 7.189 -2.962 519 H ARG 65 H ARG 65 -1.509 9.715 -4.150 520 HA ARG 65 HA ARG 65 -2.549 9.758 -6.715 521 HB2 ARG 65 1HB ARG 65 -4.211 9.384 -5.197 522 HB3 ARG 65 2HB ARG 65 -3.547 10.519 -4.030 523 HG2 ARG 65 1HG ARG 65 -4.681 11.634 -6.530 524 HG3 ARG 65 2HG ARG 65 -5.802 10.984 -5.333 525 HD2 ARG 65 1HD ARG 65 -4.388 12.418 -3.667 526 HD3 ARG 65 2HD ARG 65 -3.928 13.298 -5.124 527 HE ARG 65 HE ARG 65 -5.969 14.295 -5.058 528 HH11 ARG 65 1HH1 ARG 65 -6.195 11.240 -3.404 529 HH12 ARG 65 2HH1 ARG 65 -7.849 11.464 -2.942 530 HH21 ARG 65 1HH2 ARG 65 -8.148 14.602 -4.455 531 HH22 ARG 65 2HH2 ARG 65 -8.959 13.376 -3.541 532 H VAL 66 H VAL 66 -1.579 12.467 -4.657 533 HA VAL 66 HA VAL 66 -2.511 14.562 -6.250 534 HB VAL 66 HB VAL 66 -0.847 15.973 -5.134 535 HG11 VAL 66 1HG1 VAL 66 -2.633 14.131 -3.697 536 HG12 VAL 66 2HG1 VAL 66 -1.428 14.948 -2.699 537 HG13 VAL 66 3HG1 VAL 66 -2.557 15.893 -3.672 538 HG21 VAL 66 3HG2 VAL 66 1.108 14.673 -5.077 539 HG22 VAL 66 1HG2 VAL 66 0.614 14.813 -3.390 540 HG23 VAL 66 2HG2 VAL 66 0.292 13.326 -4.283 541 H GLN 67 H GLN 67 0.637 12.917 -6.267 542 HA GLN 67 HA GLN 67 1.790 14.483 -8.309 543 HB2 GLN 67 1HB GLN 67 2.406 11.882 -7.010 544 HB3 GLN 67 2HB GLN 67 3.159 12.198 -8.567 545 HG2 GLN 67 1HG GLN 67 4.403 12.845 -6.403 546 HG3 GLN 67 2HG GLN 67 4.398 13.965 -7.764 547 HE21 GLN 67 1HE2 GLN 67 3.773 13.576 -4.494 548 HE22 GLN 67 2HE2 GLN 67 2.949 15.067 -4.208 549 H HIS 68 H HIS 68 -0.546 11.981 -8.380 550 HA HIS 68 HA HIS 68 -0.054 11.153 -11.091 551 HB2 HIS 68 1HB HIS 68 -1.055 9.463 -9.848 552 HB3 HIS 68 2HB HIS 68 -2.158 10.571 -9.038 553 HD1 HIS 68 1HD HIS 68 -1.750 8.576 -12.170 554 HD2 HIS 68 2HD HIS 68 -4.532 11.118 -10.421 555 HE1 HIS 68 1HE HIS 68 -3.848 8.316 -13.532 556 HE2 HIS 68 2HE HIS 68 -5.491 9.927 -12.507 557 H MET 69 H MET 69 -2.051 13.513 -9.470 558 HA MET 69 HA MET 69 -3.383 14.179 -11.998 559 HB2 MET 69 1HB MET 69 -4.545 15.824 -10.192 560 HB3 MET 69 2HB MET 69 -5.123 14.203 -10.554 561 HG2 MET 69 1HG MET 69 -4.103 13.301 -8.631 562 HG3 MET 69 2HG MET 69 -3.148 14.758 -8.365 563 HE1 MET 69 3HE MET 69 -3.457 16.202 -6.899 564 HE2 MET 69 1HE MET 69 -4.934 16.908 -6.242 565 HE3 MET 69 2HE MET 69 -4.290 15.417 -5.555 566 H GLN 70 H GLN 70 -0.914 15.223 -9.879 567 HA GLN 70 HA GLN 70 -0.929 17.981 -10.205 568 HB2 GLN 70 1HB GLN 70 1.180 17.966 -9.301 569 HB3 GLN 70 2HB GLN 70 0.632 16.366 -8.820 570 HG2 GLN 70 1HG GLN 70 1.844 15.345 -10.615 571 HG3 GLN 70 2HG GLN 70 2.269 16.920 -11.282 572 HE21 GLN 70 1HE2 GLN 70 3.035 18.299 -9.072 573 HE22 GLN 70 2HE2 GLN 70 4.443 17.577 -8.378 574 H ASP 71 H ASP 71 0.117 15.458 -12.387 575 HA ASP 71 HA ASP 71 1.607 17.020 -14.182 576 HB2 ASP 71 1HB ASP 71 0.011 14.490 -14.616 577 HB3 ASP 71 2HB ASP 71 1.071 15.198 -15.832 578 H HIS 72 H HIS 72 -1.720 16.987 -13.517 579 HA HIS 72 HA HIS 72 -2.208 18.884 -15.655 580 HB2 HIS 72 1HB HIS 72 -4.369 17.577 -16.232 581 HB3 HIS 72 2HB HIS 72 -2.844 17.025 -16.918 582 HD1 HIS 72 1HD HIS 72 -5.534 16.049 -14.539 583 HD2 HIS 72 2HD HIS 72 -1.897 14.571 -15.898 584 HE1 HIS 72 1HE HIS 72 -5.449 13.657 -13.767 585 HE2 HIS 72 2HE HIS 72 -3.203 12.809 -14.527 586 HA PRO 73 HA PRO 73 -4.404 20.518 -12.133 587 HB2 PRO 73 1HB PRO 73 -5.125 22.848 -13.326 588 HB3 PRO 73 2HB PRO 73 -3.498 22.551 -12.703 589 HG2 PRO 73 1HG PRO 73 -4.514 22.364 -15.513 590 HG3 PRO 73 2HG PRO 73 -2.998 23.063 -14.915 591 HD2 PRO 73 1HD PRO 73 -3.127 20.598 -16.027 592 HD3 PRO 73 2HD PRO 73 -1.971 21.007 -14.743 593 H ASN 74 H ASN 74 -6.010 18.750 -12.551 594 HA ASN 74 HA ASN 74 -8.490 19.900 -13.642 595 HB2 ASN 74 1HB ASN 74 -9.067 17.933 -14.746 596 HB3 ASN 74 2HB ASN 74 -7.331 18.020 -15.026 597 HD21 ASN 74 1HD2 ASN 74 -6.093 17.007 -13.038 598 HD22 ASN 74 2HD2 ASN 74 -6.628 15.417 -12.623 599 H TYR 75 H TYR 75 -7.191 17.312 -11.569 600 HA TYR 75 HA TYR 75 -9.238 16.380 -10.183 601 HB2 TYR 75 1HB TYR 75 -7.844 16.450 -8.099 602 HB3 TYR 75 2HB TYR 75 -7.004 15.815 -9.510 603 HD1 TYR 75 2HD TYR 75 -5.502 17.453 -10.813 604 HD2 TYR 75 1HD TYR 75 -6.913 18.201 -6.870 605 HE1 TYR 75 2HE TYR 75 -3.701 19.096 -10.486 606 HE2 TYR 75 1HE TYR 75 -5.117 19.846 -6.532 607 HH TYR 75 HH TYR 75 -2.706 20.186 -7.609 608 H LYS 76 H LYS 76 -7.745 19.485 -9.255 609 HA LYS 76 HA LYS 76 -10.384 20.377 -8.316 610 HB2 LYS 76 1HB LYS 76 -9.073 19.709 -6.359 611 HB3 LYS 76 2HB LYS 76 -7.759 20.763 -6.864 612 HG2 LYS 76 1HG LYS 76 -8.905 21.912 -5.162 613 HG3 LYS 76 2HG LYS 76 -9.385 22.682 -6.676 614 HD2 LYS 76 1HD LYS 76 -11.393 22.441 -5.507 615 HD3 LYS 76 2HD LYS 76 -11.389 21.074 -6.624 616 HE2 LYS 76 1HE LYS 76 -12.075 20.220 -4.527 617 HE3 LYS 76 2HE LYS 76 -10.405 19.702 -4.750 618 HZ1 LYS 76 3HZ LYS 76 -10.766 20.516 -2.514 619 HZ2 LYS 76 1HZ LYS 76 -11.302 22.008 -3.107 620 HZ3 LYS 76 2HZ LYS 76 -9.694 21.535 -3.335 621 H SER 77 H SER 77 -7.098 21.751 -8.499 622 HA SER 77 HA SER 77 -6.284 23.622 -9.505 623 HB2 SER 77 1HB SER 77 -7.189 22.574 -11.564 624 HB3 SER 77 2HB SER 77 -8.723 23.397 -11.286 625 HG SER 77 HG SER 77 -7.755 25.337 -11.663 626 H GLY 78 H GLY 78 -7.855 23.926 -7.193 627 HA2 GLY 78 1HA GLY 78 -9.293 26.447 -7.731 628 HA3 GLY 78 2HA GLY 78 -9.626 25.384 -6.372 629 HA PRO 79 HA PRO 79 -6.989 28.811 -4.779 630 HB2 PRO 79 1HB PRO 79 -8.347 29.059 -2.441 631 HB3 PRO 79 2HB PRO 79 -8.839 29.877 -3.929 632 HG2 PRO 79 1HG PRO 79 -9.898 27.354 -2.715 633 HG3 PRO 79 2HG PRO 79 -10.787 28.701 -3.450 634 HD2 PRO 79 1HD PRO 79 -10.295 26.388 -4.769 635 HD3 PRO 79 2HD PRO 79 -10.392 27.957 -5.595 636 H SER 80 H SER 80 -5.432 28.748 -3.144 637 HA SER 80 HA SER 80 -5.066 26.103 -1.913 638 HB2 SER 80 1HB SER 80 -3.170 28.179 -2.928 639 HB3 SER 80 2HB SER 80 -2.646 27.135 -1.608 640 HG SER 80 HG SER 80 -3.616 25.442 -3.197 641 H SER 81 H SER 81 -4.337 29.524 -1.207 642 HA SER 81 HA SER 81 -4.184 29.028 1.616 643 HB2 SER 81 1HB SER 81 -3.764 31.404 1.827 644 HB3 SER 81 2HB SER 81 -2.842 30.788 0.456 645 HG SER 81 HG SER 81 -4.337 31.679 -0.930 646 H GLY 82 H GLY 82 -5.490 30.397 3.161 647 HA2 GLY 82 1HA GLY 82 -8.289 29.922 2.627 648 HA3 GLY 82 2HA GLY 82 -7.596 30.514 4.130 Start of MODEL 19 1 H1 GLY 1 H GLY 1 10.883 -17.207 -3.474 2 HA2 GLY 1 1HA GLY 1 10.122 -14.873 -3.074 3 HA3 GLY 1 2HA GLY 1 11.646 -14.636 -2.231 4 H SER 2 H SER 2 11.643 -12.799 -3.846 5 HA SER 2 HA SER 2 13.509 -13.388 -5.899 6 HB2 SER 2 1HB SER 2 12.145 -12.767 -7.848 7 HB3 SER 2 2HB SER 2 11.496 -14.202 -7.055 8 HG SER 2 HG SER 2 9.996 -12.785 -5.994 9 H SER 3 H SER 3 14.263 -11.478 -7.000 10 HA SER 3 HA SER 3 13.621 -9.021 -5.510 11 HB2 SER 3 1HB SER 3 15.924 -9.699 -5.183 12 HB3 SER 3 2HB SER 3 16.169 -9.841 -6.923 13 HG SER 3 HG SER 3 16.079 -7.583 -5.315 14 H GLY 4 H GLY 4 13.839 -6.979 -6.729 15 HA2 GLY 4 1HA GLY 4 14.096 -6.242 -9.190 16 HA3 GLY 4 2HA GLY 4 12.735 -7.326 -9.435 17 H SER 5 H SER 5 13.785 -4.333 -7.931 18 HA SER 5 HA SER 5 10.991 -3.426 -7.962 19 HB2 SER 5 1HB SER 5 11.938 -4.073 -5.623 20 HB3 SER 5 2HB SER 5 12.844 -2.566 -5.758 21 HG SER 5 HG SER 5 10.172 -2.976 -5.292 22 H SER 6 H SER 6 10.995 -1.941 -9.525 23 HA SER 6 HA SER 6 13.279 -0.130 -9.792 24 HB2 SER 6 1HB SER 6 11.003 -0.897 -11.599 25 HB3 SER 6 2HB SER 6 11.925 0.576 -11.900 26 HG SER 6 HG SER 6 12.669 -2.076 -12.179 27 H GLY 7 H GLY 7 9.714 0.088 -9.780 28 HA2 GLY 7 1HA GLY 7 9.629 2.191 -7.901 29 HA3 GLY 7 2HA GLY 7 9.556 2.869 -9.521 30 H ILE 8 H ILE 8 7.451 3.646 -9.162 31 HA ILE 8 HA ILE 8 5.383 1.545 -9.101 32 HB ILE 8 HB ILE 8 5.142 4.381 -8.090 33 HG12 ILE 8 1HG1 ILE 8 4.870 1.931 -6.388 34 HG13 ILE 8 2HG1 ILE 8 6.477 2.537 -6.775 35 HG21 ILE 8 1HG2 ILE 8 3.180 2.308 -8.731 36 HG22 ILE 8 2HG2 ILE 8 3.003 2.996 -7.117 37 HG23 ILE 8 3HG2 ILE 8 2.971 4.048 -8.532 38 HD11 ILE 8 3HD1 ILE 8 6.278 4.302 -5.407 39 HD12 ILE 8 1HD1 ILE 8 4.575 4.549 -5.794 40 HD13 ILE 8 2HD1 ILE 8 5.046 3.305 -4.634 41 H ARG 9 H ARG 9 3.651 1.715 -10.512 42 HA ARG 9 HA ARG 9 4.104 3.507 -12.787 43 HB2 ARG 9 1HB ARG 9 2.785 0.853 -12.446 44 HB3 ARG 9 2HB ARG 9 2.219 1.904 -13.737 45 HG2 ARG 9 1HG ARG 9 5.101 1.126 -13.382 46 HG3 ARG 9 2HG ARG 9 3.963 0.233 -14.392 47 HD2 ARG 9 1HD ARG 9 3.609 2.160 -15.787 48 HD3 ARG 9 2HD ARG 9 4.583 3.165 -14.714 49 HE ARG 9 HE ARG 9 6.086 0.964 -15.687 50 HH11 ARG 9 1HH1 ARG 9 4.812 4.067 -16.619 51 HH12 ARG 9 2HH1 ARG 9 6.036 4.358 -17.810 52 HH21 ARG 9 1HH2 ARG 9 7.703 1.335 -17.252 53 HH22 ARG 9 2HH2 ARG 9 7.680 2.803 -18.170 54 H ARG 10 H ARG 10 1.417 2.280 -10.792 55 HA ARG 10 HA ARG 10 -0.069 4.738 -11.447 56 HB2 ARG 10 1HB ARG 10 -0.957 1.920 -10.960 57 HB3 ARG 10 2HB ARG 10 -2.053 3.247 -10.600 58 HG2 ARG 10 1HG ARG 10 -2.588 2.553 -12.775 59 HG3 ARG 10 2HG ARG 10 -1.655 4.039 -12.971 60 HD2 ARG 10 1HD ARG 10 0.348 2.726 -13.443 61 HD3 ARG 10 2HD ARG 10 -0.568 1.236 -13.220 62 HE ARG 10 HE ARG 10 -0.494 2.864 -15.557 63 HH11 ARG 10 1HH1 ARG 10 -2.534 0.756 -13.681 64 HH12 ARG 10 2HH1 ARG 10 -3.520 0.295 -15.029 65 HH21 ARG 10 1HH2 ARG 10 -1.784 2.264 -17.340 66 HH22 ARG 10 2HH2 ARG 10 -3.091 1.152 -17.110 67 HA PRO 11 HA PRO 11 -0.008 5.950 -7.228 68 HB2 PRO 11 1HB PRO 11 -2.400 7.216 -7.017 69 HB3 PRO 11 2HB PRO 11 -1.028 7.896 -7.900 70 HG2 PRO 11 1HG PRO 11 -3.419 6.434 -8.951 71 HG3 PRO 11 2HG PRO 11 -2.631 7.890 -9.585 72 HD2 PRO 11 1HD PRO 11 -2.216 5.432 -10.642 73 HD3 PRO 11 2HD PRO 11 -0.961 6.687 -10.622 74 H MET 12 H MET 12 -0.928 5.558 -5.158 75 HA MET 12 HA MET 12 -3.015 3.483 -5.098 76 HB2 MET 12 1HB MET 12 -0.884 3.456 -3.018 77 HB3 MET 12 2HB MET 12 -1.821 2.124 -3.680 78 HG2 MET 12 1HG MET 12 -0.486 2.572 -5.845 79 HG3 MET 12 2HG MET 12 0.616 3.450 -4.785 80 HE1 MET 12 3HE MET 12 0.994 0.685 -2.044 81 HE2 MET 12 1HE MET 12 2.302 1.652 -2.725 82 HE3 MET 12 2HE MET 12 0.745 2.401 -2.367 83 H ASN 13 H ASN 13 -4.411 3.509 -3.319 84 HA ASN 13 HA ASN 13 -4.608 6.106 -2.016 85 HB2 ASN 13 1HB ASN 13 -6.806 4.958 -1.146 86 HB3 ASN 13 2HB ASN 13 -6.703 5.525 -2.810 87 HD21 ASN 13 1HD2 ASN 13 -6.782 2.762 -0.720 88 HD22 ASN 13 2HD2 ASN 13 -7.043 1.580 -1.953 89 H ALA 14 H ALA 14 -5.746 5.742 0.326 90 HA ALA 14 HA ALA 14 -3.677 5.019 2.054 91 HB1 ALA 14 3HB ALA 14 -5.517 5.043 3.818 92 HB2 ALA 14 1HB ALA 14 -5.272 6.522 2.888 93 HB3 ALA 14 2HB ALA 14 -6.615 5.447 2.498 94 H PHE 15 H PHE 15 -6.533 3.204 1.015 95 HA PHE 15 HA PHE 15 -6.076 0.969 2.703 96 HB2 PHE 15 1HB PHE 15 -8.273 1.127 1.933 97 HB3 PHE 15 2HB PHE 15 -7.773 1.464 0.279 98 HD1 PHE 15 2HD PHE 15 -6.780 -0.404 -1.086 99 HD2 PHE 15 1HD PHE 15 -8.732 -1.056 2.639 100 HE1 PHE 15 2HE PHE 15 -7.070 -2.779 -1.657 101 HE2 PHE 15 1HE PHE 15 -9.025 -3.432 2.074 102 HZ PHE 15 HZ PHE 15 -8.194 -4.297 -0.077 103 H MET 16 H MET 16 -5.332 1.615 -0.708 104 HA MET 16 HA MET 16 -4.229 -0.869 -1.343 105 HB2 MET 16 1HB MET 16 -3.816 1.900 -2.428 106 HB3 MET 16 2HB MET 16 -2.879 0.547 -3.048 107 HG2 MET 16 1HG MET 16 -5.238 -0.558 -3.318 108 HG3 MET 16 2HG MET 16 -5.786 1.116 -3.301 109 HE1 MET 16 3HE MET 16 -2.234 -0.074 -5.103 110 HE2 MET 16 1HE MET 16 -3.349 -1.377 -4.687 111 HE3 MET 16 2HE MET 16 -3.105 -0.931 -6.376 112 H VAL 17 H VAL 17 -2.590 2.099 -0.249 113 HA VAL 17 HA VAL 17 0.015 1.191 -0.220 114 HB VAL 17 HB VAL 17 -1.287 3.064 1.761 115 HG11 VAL 17 1HG1 VAL 17 0.893 3.848 2.315 116 HG12 VAL 17 2HG1 VAL 17 0.913 2.091 2.475 117 HG13 VAL 17 3HG1 VAL 17 1.634 2.857 1.059 118 HG21 VAL 17 3HG2 VAL 17 -1.344 4.565 0.125 119 HG22 VAL 17 1HG2 VAL 17 0.383 4.350 -0.162 120 HG23 VAL 17 2HG2 VAL 17 -0.785 3.334 -1.007 121 H TRP 18 H TRP 18 -1.942 1.443 2.748 122 HA TRP 18 HA TRP 18 -0.368 -0.078 4.396 123 HB2 TRP 18 1HB TRP 18 -2.099 0.965 5.517 124 HB3 TRP 18 2HB TRP 18 -3.301 0.485 4.322 125 HD1 TRP 18 HD TRP 18 -1.776 -0.578 7.598 126 HE1 TRP 18 1HE TRP 18 -2.937 -2.719 8.431 127 HE3 TRP 18 3HE TRP 18 -4.443 -1.743 3.395 128 HZ2 TRP 18 2HZ TRP 18 -4.744 -4.647 7.437 129 HZ3 TRP 18 3HZ TRP 18 -5.863 -3.752 3.418 130 HH2 TRP 18 HH TRP 18 -6.009 -5.173 5.398 131 H ALA 19 H ALA 19 -2.713 -1.181 2.024 132 HA ALA 19 HA ALA 19 -2.696 -3.914 2.822 133 HB1 ALA 19 3HB ALA 19 -3.602 -4.205 0.412 134 HB2 ALA 19 1HB ALA 19 -4.575 -3.338 1.600 135 HB3 ALA 19 2HB ALA 19 -3.645 -2.442 0.397 136 H LYS 20 H LYS 20 -0.807 -2.000 0.559 137 HA LYS 20 HA LYS 20 0.417 -3.814 -1.030 138 HB2 LYS 20 1HB LYS 20 2.118 -2.283 -1.349 139 HB3 LYS 20 2HB LYS 20 0.854 -1.258 -0.681 140 HG2 LYS 20 1HG LYS 20 2.029 -1.882 1.595 141 HG3 LYS 20 2HG LYS 20 3.410 -2.159 0.531 142 HD2 LYS 20 1HD LYS 20 1.839 0.362 0.249 143 HD3 LYS 20 2HD LYS 20 2.982 0.207 1.585 144 HE2 LYS 20 1HE LYS 20 3.772 -0.395 -1.248 145 HE3 LYS 20 2HE LYS 20 3.821 1.245 -0.605 146 HZ1 LYS 20 3HZ LYS 20 5.522 -1.040 0.003 147 HZ2 LYS 20 1HZ LYS 20 5.137 -0.022 1.299 148 HZ3 LYS 20 2HZ LYS 20 5.905 0.607 -0.070 149 H ASP 21 H ASP 21 1.029 -3.314 2.395 150 HA ASP 21 HA ASP 21 3.165 -5.290 2.405 151 HB2 ASP 21 1HB ASP 21 3.303 -3.204 3.783 152 HB3 ASP 21 2HB ASP 21 1.954 -3.804 4.744 153 H GLU 22 H GLU 22 -0.215 -5.074 3.034 154 HA GLU 22 HA GLU 22 -0.323 -7.469 4.649 155 HB2 GLU 22 1HB GLU 22 -2.523 -5.812 3.402 156 HB3 GLU 22 2HB GLU 22 -2.780 -7.159 4.502 157 HG2 GLU 22 1HG GLU 22 -1.829 -4.414 5.051 158 HG3 GLU 22 2HG GLU 22 -2.915 -5.447 5.979 159 H ARG 23 H ARG 23 -1.753 -6.563 1.505 160 HA ARG 23 HA ARG 23 -2.666 -8.986 0.667 161 HB2 ARG 23 1HB ARG 23 -2.934 -6.892 -0.601 162 HB3 ARG 23 2HB ARG 23 -1.236 -6.955 -1.056 163 HG2 ARG 23 1HG ARG 23 -1.976 -9.343 -1.961 164 HG3 ARG 23 2HG ARG 23 -3.534 -8.522 -2.063 165 HD2 ARG 23 1HD ARG 23 -2.583 -8.121 -4.146 166 HD3 ARG 23 2HD ARG 23 -2.222 -6.648 -3.246 167 HE ARG 23 HE ARG 23 -0.149 -8.646 -3.128 168 HH11 ARG 23 1HH1 ARG 23 -1.430 -5.921 -4.876 169 HH12 ARG 23 2HH1 ARG 23 0.083 -5.520 -5.619 170 HH21 ARG 23 1HH2 ARG 23 1.848 -8.128 -4.100 171 HH22 ARG 23 2HH2 ARG 23 1.947 -6.777 -5.178 172 H LYS 24 H LYS 24 0.655 -7.779 0.337 173 HA LYS 24 HA LYS 24 1.811 -9.786 -1.125 174 HB2 LYS 24 1HB LYS 24 3.916 -9.262 0.040 175 HB3 LYS 24 2HB LYS 24 3.039 -7.806 -0.415 176 HG2 LYS 24 1HG LYS 24 2.609 -7.222 1.738 177 HG3 LYS 24 2HG LYS 24 2.569 -8.894 2.302 178 HD2 LYS 24 1HD LYS 24 5.164 -7.847 1.316 179 HD3 LYS 24 2HD LYS 24 4.580 -7.237 2.866 180 HE2 LYS 24 1HE LYS 24 4.503 -10.171 2.384 181 HE3 LYS 24 2HE LYS 24 6.067 -9.419 2.694 182 HZ1 LYS 24 3HZ LYS 24 3.941 -8.652 4.507 183 HZ2 LYS 24 1HZ LYS 24 5.556 -9.039 4.832 184 HZ3 LYS 24 2HZ LYS 24 4.419 -10.272 4.609 185 H ARG 25 H ARG 25 0.930 -9.830 2.280 186 HA ARG 25 HA ARG 25 2.176 -12.368 2.792 187 HB2 ARG 25 1HB ARG 25 1.596 -12.047 4.979 188 HB3 ARG 25 2HB ARG 25 1.502 -10.381 4.426 189 HG2 ARG 25 1HG ARG 25 -1.000 -11.053 3.930 190 HG3 ARG 25 2HG ARG 25 -0.668 -12.260 5.175 191 HD2 ARG 25 1HD ARG 25 0.026 -10.498 6.711 192 HD3 ARG 25 2HD ARG 25 -0.259 -9.285 5.463 193 HE ARG 25 HE ARG 25 -2.490 -9.371 5.951 194 HH11 ARG 25 1HH1 ARG 25 -0.940 -12.204 7.252 195 HH12 ARG 25 2HH1 ARG 25 -2.353 -12.750 8.093 196 HH21 ARG 25 1HH2 ARG 25 -4.356 -10.079 7.054 197 HH22 ARG 25 2HH2 ARG 25 -4.296 -11.541 7.979 198 H LEU 26 H LEU 26 -0.849 -11.297 1.553 199 HA LEU 26 HA LEU 26 -2.347 -13.648 2.209 200 HB2 LEU 26 1HB LEU 26 -2.910 -11.601 0.071 201 HB3 LEU 26 2HB LEU 26 -4.056 -12.743 0.771 202 HG LEU 26 HG LEU 26 -2.809 -10.354 2.121 203 HD11 LEU 26 1HD1 LEU 26 -4.564 -9.572 0.817 204 HD12 LEU 26 2HD1 LEU 26 -5.320 -9.846 2.387 205 HD13 LEU 26 3HD1 LEU 26 -5.540 -11.017 1.086 206 HD21 LEU 26 3HD2 LEU 26 -2.911 -11.992 3.807 207 HD22 LEU 26 1HD2 LEU 26 -4.457 -12.611 3.226 208 HD23 LEU 26 2HD2 LEU 26 -4.377 -11.030 4.003 209 H ALA 27 H ALA 27 -0.502 -12.529 -0.574 210 HA ALA 27 HA ALA 27 -1.278 -14.454 -2.439 211 HB1 ALA 27 3HB ALA 27 1.084 -12.694 -2.096 212 HB2 ALA 27 1HB ALA 27 1.222 -14.035 -3.232 213 HB3 ALA 27 2HB ALA 27 -0.046 -12.827 -3.443 214 H GLN 28 H GLN 28 1.450 -14.510 -0.151 215 HA GLN 28 HA GLN 28 2.350 -17.091 -0.872 216 HB2 GLN 28 1HB GLN 28 3.592 -16.997 1.295 217 HB3 GLN 28 2HB GLN 28 3.854 -15.602 0.256 218 HG2 GLN 28 1HG GLN 28 2.557 -14.206 1.604 219 HG3 GLN 28 2HG GLN 28 1.799 -15.564 2.434 220 HE21 GLN 28 1HE2 GLN 28 2.453 -14.266 4.325 221 HE22 GLN 28 2HE2 GLN 28 4.038 -14.507 4.969 222 H GLN 29 H GLN 29 0.127 -15.927 1.611 223 HA GLN 29 HA GLN 29 -0.219 -18.406 2.926 224 HB2 GLN 29 1HB GLN 29 -1.640 -15.794 2.884 225 HB3 GLN 29 2HB GLN 29 -2.524 -17.184 3.501 226 HG2 GLN 29 1HG GLN 29 -0.326 -17.530 4.907 227 HG3 GLN 29 2HG GLN 29 -0.143 -15.802 4.610 228 HE21 GLN 29 1HE2 GLN 29 -1.458 -14.372 5.639 229 HE22 GLN 29 2HE2 GLN 29 -2.600 -14.823 6.854 230 H ASN 30 H ASN 30 -1.878 -16.863 0.226 231 HA ASN 30 HA ASN 30 -3.284 -19.405 -0.258 232 HB2 ASN 30 1HB ASN 30 -4.374 -16.615 -0.701 233 HB3 ASN 30 2HB ASN 30 -5.191 -18.109 -1.151 234 HD21 ASN 30 1HD2 ASN 30 -5.007 -15.765 1.130 235 HD22 ASN 30 2HD2 ASN 30 -5.673 -16.617 2.478 236 HA PRO 31 HA PRO 31 -0.695 -18.429 -3.937 237 HB2 PRO 31 1HB PRO 31 -0.065 -21.021 -4.442 238 HB3 PRO 31 2HB PRO 31 0.833 -20.020 -3.295 239 HG2 PRO 31 1HG PRO 31 -1.305 -22.049 -2.771 240 HG3 PRO 31 2HG PRO 31 0.218 -21.780 -1.905 241 HD2 PRO 31 1HD PRO 31 -2.160 -20.868 -0.987 242 HD3 PRO 31 2HD PRO 31 -0.633 -20.009 -0.701 243 H ASP 32 H ASP 32 -3.610 -19.982 -3.334 244 HA ASP 32 HA ASP 32 -4.055 -20.544 -6.189 245 HB2 ASP 32 1HB ASP 32 -4.409 -22.349 -4.357 246 HB3 ASP 32 2HB ASP 32 -5.882 -21.458 -3.986 247 H LEU 33 H LEU 33 -4.850 -18.443 -3.631 248 HA LEU 33 HA LEU 33 -7.383 -17.593 -4.755 249 HB2 LEU 33 1HB LEU 33 -5.742 -16.665 -2.413 250 HB3 LEU 33 2HB LEU 33 -7.212 -15.842 -2.930 251 HG LEU 33 HG LEU 33 -6.980 -18.653 -1.864 252 HD11 LEU 33 1HD1 LEU 33 -8.720 -16.545 -0.701 253 HD12 LEU 33 2HD1 LEU 33 -6.986 -16.457 -0.398 254 HD13 LEU 33 3HD1 LEU 33 -7.892 -17.892 0.081 255 HD21 LEU 33 3HD2 LEU 33 -9.461 -18.666 -2.047 256 HD22 LEU 33 1HD2 LEU 33 -8.631 -18.669 -3.603 257 HD23 LEU 33 2HD2 LEU 33 -9.356 -17.181 -2.995 258 H HIS 34 H HIS 34 -7.789 -15.382 -5.398 259 HA HIS 34 HA HIS 34 -5.405 -14.077 -6.539 260 HB2 HIS 34 1HB HIS 34 -6.939 -13.234 -8.334 261 HB3 HIS 34 2HB HIS 34 -6.714 -14.981 -8.341 262 HD1 HIS 34 1HD HIS 34 -9.284 -12.346 -7.884 263 HD2 HIS 34 2HD HIS 34 -8.992 -16.477 -7.556 264 HE1 HIS 34 1HE HIS 34 -11.653 -13.179 -7.752 265 HE2 HIS 34 2HE HIS 34 -11.449 -15.673 -7.469 266 H ASN 35 H ASN 35 -5.869 -11.697 -7.067 267 HA ASN 35 HA ASN 35 -6.027 -10.143 -4.911 268 HB2 ASN 35 1HB ASN 35 -7.263 -9.514 -7.599 269 HB3 ASN 35 2HB ASN 35 -6.954 -8.314 -6.347 270 HD21 ASN 35 1HD2 ASN 35 -4.651 -8.305 -5.534 271 HD22 ASN 35 2HD2 ASN 35 -3.412 -8.441 -6.730 272 H ALA 36 H ALA 36 -8.958 -10.502 -6.911 273 HA ALA 36 HA ALA 36 -10.852 -9.415 -5.367 274 HB1 ALA 36 3HB ALA 36 -11.903 -11.949 -6.171 275 HB2 ALA 36 1HB ALA 36 -12.193 -10.353 -6.862 276 HB3 ALA 36 2HB ALA 36 -10.837 -11.328 -7.430 277 H GLU 37 H GLU 37 -9.381 -12.575 -4.787 278 HA GLU 37 HA GLU 37 -11.048 -13.153 -2.521 279 HB2 GLU 37 1HB GLU 37 -8.511 -14.446 -3.532 280 HB3 GLU 37 2HB GLU 37 -9.454 -15.052 -2.178 281 HG2 GLU 37 1HG GLU 37 -10.799 -14.620 -4.797 282 HG3 GLU 37 2HG GLU 37 -9.767 -16.032 -4.579 283 H LEU 38 H LEU 38 -7.715 -12.055 -3.004 284 HA LEU 38 HA LEU 38 -6.902 -12.061 -0.330 285 HB2 LEU 38 1HB LEU 38 -6.010 -10.008 -2.328 286 HB3 LEU 38 2HB LEU 38 -5.095 -10.713 -0.997 287 HG LEU 38 HG LEU 38 -5.853 -12.052 -3.590 288 HD11 LEU 38 1HD1 LEU 38 -3.898 -11.316 -4.323 289 HD12 LEU 38 2HD1 LEU 38 -3.085 -12.136 -2.991 290 HD13 LEU 38 3HD1 LEU 38 -3.632 -10.471 -2.798 291 HD21 LEU 38 3HD2 LEU 38 -6.017 -13.698 -1.861 292 HD22 LEU 38 1HD2 LEU 38 -4.504 -13.158 -1.133 293 HD23 LEU 38 2HD2 LEU 38 -4.491 -13.946 -2.711 294 H SER 39 H SER 39 -8.329 -9.440 -2.265 295 HA SER 39 HA SER 39 -8.287 -7.365 -0.502 296 HB2 SER 39 1HB SER 39 -9.433 -7.696 -2.896 297 HB3 SER 39 2HB SER 39 -10.881 -7.809 -1.895 298 HG SER 39 HG SER 39 -9.820 -5.628 -2.695 299 H LYS 40 H LYS 40 -10.848 -9.837 -0.678 300 HA LYS 40 HA LYS 40 -12.567 -9.094 1.249 301 HB2 LYS 40 1HB LYS 40 -11.433 -11.842 0.739 302 HB3 LYS 40 2HB LYS 40 -12.765 -11.560 1.853 303 HG2 LYS 40 1HG LYS 40 -13.027 -10.462 -0.885 304 HG3 LYS 40 2HG LYS 40 -13.143 -12.213 -0.689 305 HD2 LYS 40 1HD LYS 40 -14.831 -11.727 1.159 306 HD3 LYS 40 2HD LYS 40 -14.863 -10.074 0.541 307 HE2 LYS 40 1HE LYS 40 -15.870 -10.690 -1.432 308 HE3 LYS 40 2HE LYS 40 -15.240 -12.335 -1.364 309 HZ1 LYS 40 3HZ LYS 40 -17.523 -12.499 -0.920 310 HZ2 LYS 40 1HZ LYS 40 -17.510 -11.190 0.152 311 HZ3 LYS 40 2HZ LYS 40 -16.778 -12.650 0.591 312 H MET 41 H MET 41 -9.285 -10.148 1.764 313 HA MET 41 HA MET 41 -9.649 -10.175 4.662 314 HB2 MET 41 1HB MET 41 -7.107 -10.714 3.128 315 HB3 MET 41 2HB MET 41 -7.464 -11.141 4.796 316 HG2 MET 41 1HG MET 41 -9.047 -12.790 4.109 317 HG3 MET 41 2HG MET 41 -8.938 -12.266 2.431 318 HE1 MET 41 3HE MET 41 -7.438 -14.955 1.176 319 HE2 MET 41 1HE MET 41 -8.090 -13.333 0.943 320 HE3 MET 41 2HE MET 41 -6.355 -13.615 0.797 321 H LEU 42 H LEU 42 -8.141 -8.309 2.114 322 HA LEU 42 HA LEU 42 -6.599 -6.635 3.833 323 HB2 LEU 42 1HB LEU 42 -7.538 -6.206 1.001 324 HB3 LEU 42 2HB LEU 42 -6.353 -5.206 1.838 325 HG LEU 42 HG LEU 42 -5.959 -8.143 1.291 326 HD11 LEU 42 1HD1 LEU 42 -4.682 -5.923 -0.264 327 HD12 LEU 42 2HD1 LEU 42 -6.222 -6.625 -0.760 328 HD13 LEU 42 3HD1 LEU 42 -4.784 -7.640 -0.655 329 HD21 LEU 42 3HD2 LEU 42 -3.889 -7.918 2.181 330 HD22 LEU 42 1HD2 LEU 42 -4.684 -6.634 3.093 331 HD23 LEU 42 2HD2 LEU 42 -3.727 -6.239 1.665 332 H GLY 43 H GLY 43 -9.901 -6.708 2.869 333 HA2 GLY 43 1HA GLY 43 -10.402 -3.915 3.439 334 HA3 GLY 43 2HA GLY 43 -11.604 -5.131 3.034 335 H LYS 44 H LYS 44 -11.294 -7.013 4.951 336 HA LYS 44 HA LYS 44 -12.679 -5.955 7.131 337 HB2 LYS 44 1HB LYS 44 -12.389 -8.112 8.182 338 HB3 LYS 44 2HB LYS 44 -12.689 -8.346 6.465 339 HG2 LYS 44 1HG LYS 44 -10.380 -8.809 6.056 340 HG3 LYS 44 2HG LYS 44 -9.949 -8.367 7.709 341 HD2 LYS 44 1HD LYS 44 -9.991 -10.716 7.701 342 HD3 LYS 44 2HD LYS 44 -11.521 -10.239 8.440 343 HE2 LYS 44 1HE LYS 44 -12.338 -10.361 5.919 344 HE3 LYS 44 2HE LYS 44 -10.985 -11.484 5.796 345 HZ1 LYS 44 3HZ LYS 44 -12.145 -13.043 6.838 346 HZ2 LYS 44 1HZ LYS 44 -13.509 -12.051 6.711 347 HZ3 LYS 44 2HZ LYS 44 -12.558 -12.005 8.108 348 H SER 45 H SER 45 -9.241 -6.505 6.641 349 HA SER 45 HA SER 45 -8.549 -5.853 9.359 350 HB2 SER 45 1HB SER 45 -6.998 -6.467 6.864 351 HB3 SER 45 2HB SER 45 -6.178 -5.765 8.259 352 HG SER 45 HG SER 45 -6.939 -8.304 7.857 353 H TRP 46 H TRP 46 -8.914 -4.159 6.353 354 HA TRP 46 HA TRP 46 -7.403 -1.849 7.063 355 HB2 TRP 46 1HB TRP 46 -7.851 -2.374 4.726 356 HB3 TRP 46 2HB TRP 46 -9.584 -2.222 5.000 357 HD1 TRP 46 HD TRP 46 -10.510 0.002 4.170 358 HE1 TRP 46 1HE TRP 46 -9.610 2.397 3.885 359 HE3 TRP 46 3HE TRP 46 -5.781 -0.687 5.986 360 HZ2 TRP 46 2HZ TRP 46 -7.212 3.806 4.366 361 HZ3 TRP 46 3HZ TRP 46 -4.246 1.235 6.039 362 HH2 TRP 46 HH TRP 46 -4.949 3.434 5.244 363 H LYS 47 H LYS 47 -10.922 -2.091 6.540 364 HA LYS 47 HA LYS 47 -11.712 0.241 7.702 365 HB2 LYS 47 1HB LYS 47 -12.985 -2.425 7.388 366 HB3 LYS 47 2HB LYS 47 -13.762 -1.298 8.491 367 HG2 LYS 47 1HG LYS 47 -14.843 -0.719 6.591 368 HG3 LYS 47 2HG LYS 47 -13.442 0.341 6.426 369 HD2 LYS 47 1HD LYS 47 -13.738 -0.728 4.328 370 HD3 LYS 47 2HD LYS 47 -12.349 -1.501 5.095 371 HE2 LYS 47 1HE LYS 47 -13.572 -3.431 5.616 372 HE3 LYS 47 2HE LYS 47 -15.120 -2.625 5.362 373 HZ1 LYS 47 3HZ LYS 47 -13.395 -3.924 3.460 374 HZ2 LYS 47 1HZ LYS 47 -13.922 -2.399 2.952 375 HZ3 LYS 47 2HZ LYS 47 -15.050 -3.588 3.366 376 H ALA 48 H ALA 48 -10.759 -2.718 9.327 377 HA ALA 48 HA ALA 48 -11.669 -2.132 11.908 378 HB1 ALA 48 3HB ALA 48 -9.807 -3.681 12.634 379 HB2 ALA 48 1HB ALA 48 -10.952 -4.338 11.464 380 HB3 ALA 48 2HB ALA 48 -9.360 -3.794 10.932 381 H LEU 49 H LEU 49 -8.709 -1.209 10.228 382 HA LEU 49 HA LEU 49 -7.239 -0.193 12.347 383 HB2 LEU 49 1HB LEU 49 -7.413 0.717 9.483 384 HB3 LEU 49 2HB LEU 49 -6.227 1.338 10.629 385 HG LEU 49 HG LEU 49 -6.455 -1.501 9.635 386 HD11 LEU 49 1HD1 LEU 49 -5.436 -0.339 7.922 387 HD12 LEU 49 2HD1 LEU 49 -4.054 -0.854 8.888 388 HD13 LEU 49 3HD1 LEU 49 -4.652 0.800 9.018 389 HD21 LEU 49 3HD2 LEU 49 -4.689 -0.246 11.721 390 HD22 LEU 49 1HD2 LEU 49 -4.274 -1.749 10.897 391 HD23 LEU 49 2HD2 LEU 49 -5.737 -1.657 11.878 392 H THR 50 H THR 50 -6.933 1.946 13.133 393 HA THR 50 HA THR 50 -9.397 3.547 13.050 394 HB THR 50 HB THR 50 -8.838 4.437 15.176 395 HG1 THR 50 1HG THR 50 -6.591 4.742 14.824 396 HG21 THR 50 3HG2 THR 50 -7.864 1.627 15.518 397 HG22 THR 50 1HG2 THR 50 -9.512 1.927 14.968 398 HG23 THR 50 2HG2 THR 50 -8.974 2.556 16.525 399 H LEU 51 H LEU 51 -9.096 5.931 13.261 400 HA LEU 51 HA LEU 51 -7.880 7.085 11.144 401 HB2 LEU 51 1HB LEU 51 -9.395 8.210 12.759 402 HB3 LEU 51 2HB LEU 51 -8.036 8.359 13.871 403 HG LEU 51 HG LEU 51 -8.753 10.378 12.385 404 HD11 LEU 51 1HD1 LEU 51 -6.939 10.919 13.605 405 HD12 LEU 51 2HD1 LEU 51 -6.104 10.729 12.064 406 HD13 LEU 51 3HD1 LEU 51 -6.104 9.410 13.235 407 HD21 LEU 51 3HD2 LEU 51 -7.811 10.503 10.233 408 HD22 LEU 51 1HD2 LEU 51 -8.610 8.932 10.300 409 HD23 LEU 51 2HD2 LEU 51 -6.858 9.038 10.475 410 H ALA 52 H ALA 52 -6.404 6.978 14.391 411 HA ALA 52 HA ALA 52 -3.940 8.057 13.745 412 HB1 ALA 52 3HB ALA 52 -3.141 7.202 15.782 413 HB2 ALA 52 1HB ALA 52 -4.865 7.466 16.039 414 HB3 ALA 52 2HB ALA 52 -4.257 5.837 15.744 415 H GLU 53 H GLU 53 -5.160 4.823 13.217 416 HA GLU 53 HA GLU 53 -2.607 3.683 12.573 417 HB2 GLU 53 1HB GLU 53 -5.414 2.684 12.060 418 HB3 GLU 53 2HB GLU 53 -3.952 1.750 11.776 419 HG2 GLU 53 1HG GLU 53 -3.484 2.291 14.293 420 HG3 GLU 53 2HG GLU 53 -5.228 2.542 14.344 421 H LYS 54 H LYS 54 -5.285 5.085 10.777 422 HA LYS 54 HA LYS 54 -4.096 4.437 8.216 423 HB2 LYS 54 1HB LYS 54 -6.456 6.241 8.757 424 HB3 LYS 54 2HB LYS 54 -6.035 5.460 7.238 425 HG2 LYS 54 1HG LYS 54 -6.610 3.317 8.082 426 HG3 LYS 54 2HG LYS 54 -6.761 3.938 9.727 427 HD2 LYS 54 1HD LYS 54 -8.797 4.902 9.323 428 HD3 LYS 54 2HD LYS 54 -8.459 5.153 7.609 429 HE2 LYS 54 1HE LYS 54 -9.030 2.985 7.047 430 HE3 LYS 54 2HE LYS 54 -8.736 2.376 8.675 431 HZ1 LYS 54 3HZ LYS 54 -10.724 3.917 9.259 432 HZ2 LYS 54 1HZ LYS 54 -11.011 2.392 8.585 433 HZ3 LYS 54 2HZ LYS 54 -11.091 3.774 7.614 434 H ARG 55 H ARG 55 -3.694 6.828 10.529 435 HA ARG 55 HA ARG 55 -3.403 9.182 9.094 436 HB2 ARG 55 1HB ARG 55 -3.092 8.542 11.676 437 HB3 ARG 55 2HB ARG 55 -1.397 8.615 11.212 438 HG2 ARG 55 1HG ARG 55 -1.799 10.761 11.937 439 HG3 ARG 55 2HG ARG 55 -2.035 10.912 10.194 440 HD2 ARG 55 1HD ARG 55 -4.522 10.368 10.782 441 HD3 ARG 55 2HD ARG 55 -4.054 10.908 12.394 442 HE ARG 55 HE ARG 55 -4.488 12.544 10.094 443 HH11 ARG 55 1HH1 ARG 55 -2.673 12.274 13.053 444 HH12 ARG 55 2HH1 ARG 55 -2.441 13.983 13.219 445 HH21 ARG 55 1HH2 ARG 55 -4.190 14.796 10.303 446 HH22 ARG 55 2HH2 ARG 55 -3.306 15.417 11.655 447 HA PRO 56 HA PRO 56 1.208 7.896 8.297 448 HB2 PRO 56 1HB PRO 56 1.776 5.253 8.545 449 HB3 PRO 56 2HB PRO 56 1.924 6.397 9.884 450 HG2 PRO 56 1HG PRO 56 -0.293 4.483 9.266 451 HG3 PRO 56 2HG PRO 56 0.459 4.858 10.828 452 HD2 PRO 56 1HD PRO 56 -1.914 5.914 10.063 453 HD3 PRO 56 2HD PRO 56 -0.768 6.790 11.097 454 H PHE 57 H PHE 57 -1.344 5.594 7.499 455 HA PHE 57 HA PHE 57 -0.181 5.066 4.885 456 HB2 PHE 57 1HB PHE 57 -2.814 4.067 5.979 457 HB3 PHE 57 2HB PHE 57 -1.904 3.413 4.621 458 HD1 PHE 57 1HD PHE 57 0.567 2.674 5.243 459 HD2 PHE 57 2HD PHE 57 -2.667 2.986 7.993 460 HE1 PHE 57 1HE PHE 57 1.712 1.113 6.761 461 HE2 PHE 57 2HE PHE 57 -1.527 1.426 9.516 462 HZ PHE 57 HZ PHE 57 0.666 0.488 8.902 463 H VAL 58 H VAL 58 -2.215 7.339 6.267 464 HA VAL 58 HA VAL 58 -3.790 7.782 3.848 465 HB VAL 58 HB VAL 58 -3.896 8.936 6.619 466 HG11 VAL 58 1HG1 VAL 58 -5.101 10.045 4.106 467 HG12 VAL 58 2HG1 VAL 58 -5.846 10.312 5.683 468 HG13 VAL 58 3HG1 VAL 58 -4.208 10.887 5.371 469 HG21 VAL 58 3HG2 VAL 58 -5.713 7.652 6.879 470 HG22 VAL 58 1HG2 VAL 58 -6.347 8.072 5.288 471 HG23 VAL 58 2HG2 VAL 58 -5.143 6.793 5.448 472 H GLU 59 H GLU 59 -1.257 9.302 5.768 473 HA GLU 59 HA GLU 59 -1.187 11.701 4.202 474 HB2 GLU 59 1HB GLU 59 0.912 10.605 6.081 475 HB3 GLU 59 2HB GLU 59 0.799 12.257 5.489 476 HG2 GLU 59 1HG GLU 59 -1.531 11.139 6.945 477 HG3 GLU 59 2HG GLU 59 -0.091 11.557 7.871 478 H GLU 60 H GLU 60 -0.045 8.554 3.743 479 HA GLU 60 HA GLU 60 2.219 9.315 2.091 480 HB2 GLU 60 1HB GLU 60 2.706 7.353 3.220 481 HB3 GLU 60 2HB GLU 60 1.068 6.732 3.062 482 HG2 GLU 60 1HG GLU 60 1.430 5.907 0.961 483 HG3 GLU 60 2HG GLU 60 2.703 7.074 0.603 484 H ALA 61 H ALA 61 -0.728 7.368 1.570 485 HA ALA 61 HA ALA 61 -0.652 7.095 -1.144 486 HB1 ALA 61 3HB ALA 61 -2.702 6.991 0.891 487 HB2 ALA 61 1HB ALA 61 -3.339 7.587 -0.642 488 HB3 ALA 61 2HB ALA 61 -2.518 6.027 -0.574 489 H GLU 62 H GLU 62 -2.271 9.773 0.575 490 HA GLU 62 HA GLU 62 -3.207 11.289 -1.442 491 HB2 GLU 62 1HB GLU 62 -3.470 12.069 0.790 492 HB3 GLU 62 2HB GLU 62 -1.732 12.181 1.030 493 HG2 GLU 62 1HG GLU 62 -1.553 14.144 -0.138 494 HG3 GLU 62 2HG GLU 62 -3.002 13.834 -1.093 495 H ARG 63 H ARG 63 0.139 11.580 -0.237 496 HA ARG 63 HA ARG 63 1.087 13.385 -2.101 497 HB2 ARG 63 1HB ARG 63 2.616 11.073 -0.890 498 HB3 ARG 63 2HB ARG 63 3.322 12.515 -1.609 499 HG2 ARG 63 1HG ARG 63 2.731 13.855 0.165 500 HG3 ARG 63 2HG ARG 63 1.413 12.793 0.665 501 HD2 ARG 63 1HD ARG 63 3.036 12.436 2.291 502 HD3 ARG 63 2HD ARG 63 3.270 11.087 1.180 503 HE ARG 63 HE ARG 63 5.356 11.891 0.731 504 HH11 ARG 63 1HH1 ARG 63 3.439 14.463 2.085 505 HH12 ARG 63 2HH1 ARG 63 4.761 15.580 2.168 506 HH21 ARG 63 1HH2 ARG 63 7.103 13.354 0.834 507 HH22 ARG 63 2HH2 ARG 63 6.844 14.949 1.455 508 H LEU 64 H LEU 64 0.554 9.941 -2.425 509 HA LEU 64 HA LEU 64 1.933 9.739 -4.944 510 HB2 LEU 64 1HB LEU 64 -0.048 7.757 -3.874 511 HB3 LEU 64 2HB LEU 64 1.324 7.472 -4.942 512 HG LEU 64 HG LEU 64 1.454 8.121 -1.998 513 HD11 LEU 64 1HD1 LEU 64 1.179 5.662 -3.453 514 HD12 LEU 64 2HD1 LEU 64 1.209 5.936 -1.712 515 HD13 LEU 64 3HD1 LEU 64 2.718 5.697 -2.592 516 HD21 LEU 64 3HD2 LEU 64 3.925 7.306 -2.623 517 HD22 LEU 64 1HD2 LEU 64 3.438 9.001 -2.635 518 HD23 LEU 64 2HD2 LEU 64 3.487 8.087 -4.143 519 H ARG 65 H ARG 65 -1.485 9.274 -4.018 520 HA ARG 65 HA ARG 65 -2.614 9.136 -6.505 521 HB2 ARG 65 1HB ARG 65 -4.218 8.808 -4.926 522 HB3 ARG 65 2HB ARG 65 -3.553 10.026 -3.846 523 HG2 ARG 65 1HG ARG 65 -4.810 10.982 -6.349 524 HG3 ARG 65 2HG ARG 65 -5.873 10.330 -5.100 525 HD2 ARG 65 1HD ARG 65 -3.783 12.265 -4.265 526 HD3 ARG 65 2HD ARG 65 -5.160 12.891 -5.172 527 HE ARG 65 HE ARG 65 -5.151 12.092 -2.456 528 HH11 ARG 65 1HH1 ARG 65 -7.119 12.039 -5.327 529 HH12 ARG 65 2HH1 ARG 65 -8.617 12.010 -4.457 530 HH21 ARG 65 1HH2 ARG 65 -7.116 12.053 -1.300 531 HH22 ARG 65 2HH2 ARG 65 -8.615 12.018 -2.166 532 H VAL 66 H VAL 66 -1.649 12.036 -4.743 533 HA VAL 66 HA VAL 66 -2.721 13.859 -6.670 534 HB VAL 66 HB VAL 66 -1.429 15.581 -5.464 535 HG11 VAL 66 1HG1 VAL 66 -2.727 13.830 -3.407 536 HG12 VAL 66 2HG1 VAL 66 -2.765 15.588 -3.558 537 HG13 VAL 66 3HG1 VAL 66 -3.676 14.585 -4.688 538 HG21 VAL 66 3HG2 VAL 66 -0.098 13.190 -4.369 539 HG22 VAL 66 1HG2 VAL 66 0.527 14.817 -4.638 540 HG23 VAL 66 2HG2 VAL 66 -0.447 14.472 -3.209 541 H GLN 67 H GLN 67 0.464 12.472 -6.030 542 HA GLN 67 HA GLN 67 1.923 14.027 -7.862 543 HB2 GLN 67 1HB GLN 67 2.345 11.430 -6.470 544 HB3 GLN 67 2HB GLN 67 3.371 11.787 -7.853 545 HG2 GLN 67 1HG GLN 67 4.213 13.758 -6.818 546 HG3 GLN 67 2HG GLN 67 3.033 13.642 -5.513 547 HE21 GLN 67 1HE2 GLN 67 3.602 12.613 -3.721 548 HE22 GLN 67 2HE2 GLN 67 5.008 11.627 -3.531 549 H HIS 68 H HIS 68 -0.447 11.690 -8.391 550 HA HIS 68 HA HIS 68 0.579 10.890 -11.000 551 HB2 HIS 68 1HB HIS 68 -0.440 9.155 -9.624 552 HB3 HIS 68 2HB HIS 68 -1.932 10.086 -9.516 553 HD1 HIS 68 1HD HIS 68 0.152 8.204 -12.050 554 HD2 HIS 68 2HD HIS 68 -3.704 9.672 -11.563 555 HE1 HIS 68 1HE HIS 68 -1.165 7.291 -13.988 556 HE2 HIS 68 2HE HIS 68 -3.473 8.261 -13.719 557 H MET 69 H MET 69 -1.548 13.184 -9.608 558 HA MET 69 HA MET 69 -3.203 13.569 -11.920 559 HB2 MET 69 1HB MET 69 -2.806 15.561 -9.699 560 HB3 MET 69 2HB MET 69 -4.220 15.335 -10.720 561 HG2 MET 69 1HG MET 69 -4.583 13.133 -9.657 562 HG3 MET 69 2HG MET 69 -3.233 13.472 -8.576 563 HE1 MET 69 3HE MET 69 -5.668 12.666 -7.089 564 HE2 MET 69 1HE MET 69 -6.971 13.830 -6.848 565 HE3 MET 69 2HE MET 69 -6.749 13.070 -8.424 566 H GLN 70 H GLN 70 -0.399 15.207 -10.511 567 HA GLN 70 HA GLN 70 -0.175 17.469 -11.975 568 HB2 GLN 70 1HB GLN 70 2.245 17.286 -11.782 569 HB3 GLN 70 2HB GLN 70 1.473 16.751 -10.296 570 HG2 GLN 70 1HG GLN 70 1.706 14.394 -11.186 571 HG3 GLN 70 2HG GLN 70 2.759 15.074 -12.426 572 HE21 GLN 70 1HE2 GLN 70 4.541 16.491 -11.529 573 HE22 GLN 70 2HE2 GLN 70 5.361 15.902 -10.127 574 H ASP 71 H ASP 71 0.631 14.209 -13.088 575 HA ASP 71 HA ASP 71 1.755 14.843 -15.551 576 HB2 ASP 71 1HB ASP 71 1.560 12.556 -14.402 577 HB3 ASP 71 2HB ASP 71 -0.038 12.457 -15.135 578 H HIS 72 H HIS 72 -1.643 14.426 -14.657 579 HA HIS 72 HA HIS 72 -2.390 15.825 -17.123 580 HB2 HIS 72 1HB HIS 72 -4.425 14.235 -17.185 581 HB3 HIS 72 2HB HIS 72 -2.882 13.632 -17.781 582 HD1 HIS 72 1HD HIS 72 -5.422 13.109 -15.132 583 HD2 HIS 72 2HD HIS 72 -1.640 11.697 -16.115 584 HE1 HIS 72 1HE HIS 72 -5.081 11.058 -13.717 585 HE2 HIS 72 2HE HIS 72 -2.753 10.270 -14.267 586 HA PRO 73 HA PRO 73 -4.596 18.181 -14.056 587 HB2 PRO 73 1HB PRO 73 -5.694 19.950 -15.798 588 HB3 PRO 73 2HB PRO 73 -4.006 20.033 -15.281 589 HG2 PRO 73 1HG PRO 73 -5.161 18.898 -17.799 590 HG3 PRO 73 2HG PRO 73 -3.717 19.906 -17.585 591 HD2 PRO 73 1HD PRO 73 -3.585 17.221 -17.910 592 HD3 PRO 73 2HD PRO 73 -2.417 18.122 -16.923 593 H ASN 74 H ASN 74 -5.820 16.105 -16.372 594 HA ASN 74 HA ASN 74 -8.478 16.644 -16.682 595 HB2 ASN 74 1HB ASN 74 -7.391 13.896 -16.042 596 HB3 ASN 74 2HB ASN 74 -8.841 14.276 -16.968 597 HD21 ASN 74 1HD2 ASN 74 -7.438 16.547 -18.270 598 HD22 ASN 74 2HD2 ASN 74 -6.435 15.821 -19.474 599 H TYR 75 H TYR 75 -6.841 15.609 -13.788 600 HA TYR 75 HA TYR 75 -8.958 14.647 -12.273 601 HB2 TYR 75 1HB TYR 75 -7.613 15.041 -10.353 602 HB3 TYR 75 2HB TYR 75 -6.497 14.667 -11.661 603 HD1 TYR 75 2HD TYR 75 -5.095 16.428 -12.640 604 HD2 TYR 75 1HD TYR 75 -7.668 17.229 -9.347 605 HE1 TYR 75 2HE TYR 75 -3.883 18.524 -12.210 606 HE2 TYR 75 1HE TYR 75 -6.463 19.328 -8.908 607 HH TYR 75 HH TYR 75 -3.983 20.172 -9.440 608 H LYS 76 H LYS 76 -7.787 17.989 -12.582 609 HA LYS 76 HA LYS 76 -10.373 19.107 -12.371 610 HB2 LYS 76 1HB LYS 76 -9.960 18.379 -9.985 611 HB3 LYS 76 2HB LYS 76 -8.651 19.552 -9.931 612 HG2 LYS 76 1HG LYS 76 -11.331 20.495 -10.788 613 HG3 LYS 76 2HG LYS 76 -11.078 20.130 -9.079 614 HD2 LYS 76 1HD LYS 76 -9.360 21.738 -8.889 615 HD3 LYS 76 2HD LYS 76 -9.215 21.902 -10.641 616 HE2 LYS 76 1HE LYS 76 -11.429 22.914 -10.740 617 HE3 LYS 76 2HE LYS 76 -11.613 22.713 -8.998 618 HZ1 LYS 76 3HZ LYS 76 -10.140 24.386 -8.556 619 HZ2 LYS 76 1HZ LYS 76 -10.813 24.966 -9.997 620 HZ3 LYS 76 2HZ LYS 76 -9.301 24.208 -10.014 621 H SER 77 H SER 77 -10.327 21.041 -13.328 622 HA SER 77 HA SER 77 -8.204 22.914 -12.992 623 HB2 SER 77 1HB SER 77 -7.367 21.108 -14.692 624 HB3 SER 77 2HB SER 77 -8.436 21.939 -15.821 625 HG SER 77 HG SER 77 -6.550 23.357 -14.274 626 H GLY 78 H GLY 78 -8.803 24.954 -13.610 627 HA2 GLY 78 1HA GLY 78 -10.712 25.608 -15.552 628 HA3 GLY 78 2HA GLY 78 -11.543 25.469 -14.010 629 HA PRO 79 HA PRO 79 -10.389 29.535 -12.871 630 HB2 PRO 79 1HB PRO 79 -9.693 29.297 -10.257 631 HB3 PRO 79 2HB PRO 79 -11.363 29.168 -10.823 632 HG2 PRO 79 1HG PRO 79 -9.420 26.995 -10.142 633 HG3 PRO 79 2HG PRO 79 -11.142 27.122 -9.739 634 HD2 PRO 79 1HD PRO 79 -10.232 25.589 -11.777 635 HD3 PRO 79 2HD PRO 79 -11.812 26.398 -11.822 636 H SER 80 H SER 80 -8.067 27.063 -12.841 637 HA SER 80 HA SER 80 -5.904 29.055 -12.658 638 HB2 SER 80 1HB SER 80 -5.999 26.256 -11.533 639 HB3 SER 80 2HB SER 80 -4.480 27.111 -11.798 640 HG SER 80 HG SER 80 -5.787 28.846 -10.526 641 H SER 81 H SER 81 -5.838 29.308 -14.898 642 HA SER 81 HA SER 81 -4.378 27.222 -16.286 643 HB2 SER 81 1HB SER 81 -6.852 26.772 -16.655 644 HB3 SER 81 2HB SER 81 -6.909 28.296 -17.540 645 HG SER 81 HG SER 81 -4.942 26.435 -18.231 646 H GLY 82 H GLY 82 -3.531 27.967 -18.381 647 HA2 GLY 82 1HA GLY 82 -3.629 30.261 -19.689 648 HA3 GLY 82 2HA GLY 82 -2.849 30.803 -18.211 Start of MODEL 20 1 H1 GLY 1 H GLY 1 16.448 -12.781 -10.597 2 HA2 GLY 1 1HA GLY 1 17.739 -12.158 -12.504 3 HA3 GLY 1 2HA GLY 1 16.315 -11.130 -12.568 4 H SER 2 H SER 2 16.538 -8.963 -12.378 5 HA SER 2 HA SER 2 19.063 -7.859 -11.420 6 HB2 SER 2 1HB SER 2 17.950 -7.222 -14.163 7 HB3 SER 2 2HB SER 2 19.356 -6.463 -13.419 8 HG SER 2 HG SER 2 20.523 -8.162 -13.882 9 H SER 3 H SER 3 18.690 -6.163 -10.160 10 HA SER 3 HA SER 3 16.114 -5.193 -9.631 11 HB2 SER 3 1HB SER 3 18.816 -3.977 -9.012 12 HB3 SER 3 2HB SER 3 17.289 -3.402 -8.343 13 HG SER 3 HG SER 3 17.038 -5.346 -7.288 14 H GLY 4 H GLY 4 15.453 -2.868 -9.794 15 HA2 GLY 4 1HA GLY 4 16.195 -0.814 -11.211 16 HA3 GLY 4 2HA GLY 4 15.966 -1.947 -12.535 17 H SER 5 H SER 5 14.279 -0.498 -9.768 18 HA SER 5 HA SER 5 11.853 -0.392 -11.420 19 HB2 SER 5 1HB SER 5 11.702 -2.314 -9.832 20 HB3 SER 5 2HB SER 5 11.870 -1.176 -8.495 21 HG SER 5 HG SER 5 9.877 -0.506 -8.797 22 H SER 6 H SER 6 10.913 1.547 -11.436 23 HA SER 6 HA SER 6 11.168 3.346 -9.171 24 HB2 SER 6 1HB SER 6 12.117 5.178 -10.439 25 HB3 SER 6 2HB SER 6 13.184 3.781 -10.583 26 HG SER 6 HG SER 6 11.734 3.426 -12.584 27 H GLY 7 H GLY 7 9.223 4.177 -8.826 28 HA2 GLY 7 1HA GLY 7 7.225 5.261 -9.269 29 HA3 GLY 7 2HA GLY 7 7.654 5.281 -10.973 30 H ILE 8 H ILE 8 5.115 4.602 -9.587 31 HA ILE 8 HA ILE 8 4.814 1.823 -10.517 32 HB ILE 8 HB ILE 8 2.913 3.260 -8.676 33 HG12 ILE 8 1HG1 ILE 8 4.996 1.298 -7.749 34 HG13 ILE 8 2HG1 ILE 8 5.345 3.021 -7.827 35 HG21 ILE 8 1HG2 ILE 8 2.951 0.497 -8.219 36 HG22 ILE 8 2HG2 ILE 8 1.685 1.440 -9.004 37 HG23 ILE 8 3HG2 ILE 8 2.960 0.699 -9.971 38 HD11 ILE 8 3HD1 ILE 8 3.870 3.528 -6.132 39 HD12 ILE 8 1HD1 ILE 8 2.933 2.052 -6.364 40 HD13 ILE 8 2HD1 ILE 8 4.526 1.976 -5.611 41 H ARG 9 H ARG 9 3.355 1.342 -12.069 42 HA ARG 9 HA ARG 9 2.553 3.024 -13.999 43 HB2 ARG 9 1HB ARG 9 1.129 0.607 -12.905 44 HB3 ARG 9 2HB ARG 9 0.534 1.469 -14.318 45 HG2 ARG 9 1HG ARG 9 3.375 0.595 -14.282 46 HG3 ARG 9 2HG ARG 9 2.115 -0.612 -14.551 47 HD2 ARG 9 1HD ARG 9 2.572 0.048 -16.706 48 HD3 ARG 9 2HD ARG 9 1.234 1.121 -16.295 49 HE ARG 9 HE ARG 9 3.875 2.184 -15.780 50 HH11 ARG 9 1HH1 ARG 9 1.230 1.910 -18.027 51 HH12 ARG 9 2HH1 ARG 9 1.675 3.322 -18.925 52 HH21 ARG 9 1HH2 ARG 9 4.472 4.046 -16.955 53 HH22 ARG 9 2HH2 ARG 9 3.520 4.536 -18.315 54 H ARG 10 H ARG 10 0.528 2.222 -11.176 55 HA ARG 10 HA ARG 10 -0.820 4.814 -11.527 56 HB2 ARG 10 1HB ARG 10 -2.045 2.106 -11.080 57 HB3 ARG 10 2HB ARG 10 -2.882 3.569 -10.577 58 HG2 ARG 10 1HG ARG 10 -3.771 3.233 -12.661 59 HG3 ARG 10 2HG ARG 10 -2.438 4.329 -13.031 60 HD2 ARG 10 1HD ARG 10 -1.145 2.651 -13.963 61 HD3 ARG 10 2HD ARG 10 -2.004 1.374 -13.103 62 HE ARG 10 HE ARG 10 -3.516 1.287 -14.818 63 HH11 ARG 10 1HH1 ARG 10 -1.699 4.247 -15.051 64 HH12 ARG 10 2HH1 ARG 10 -2.355 4.681 -16.595 65 HH21 ARG 10 1HH2 ARG 10 -4.388 1.847 -16.850 66 HH22 ARG 10 2HH2 ARG 10 -3.885 3.316 -17.616 67 HA PRO 11 HA PRO 11 -0.002 5.536 -7.276 68 HB2 PRO 11 1HB PRO 11 -2.145 7.050 -6.580 69 HB3 PRO 11 2HB PRO 11 -0.833 7.653 -7.600 70 HG2 PRO 11 1HG PRO 11 -3.526 6.615 -8.394 71 HG3 PRO 11 2HG PRO 11 -2.646 8.027 -9.007 72 HD2 PRO 11 1HD PRO 11 -2.724 5.669 -10.336 73 HD3 PRO 11 2HD PRO 11 -1.320 6.753 -10.398 74 H MET 12 H MET 12 -1.400 5.678 -5.090 75 HA MET 12 HA MET 12 -3.378 3.544 -4.966 76 HB2 MET 12 1HB MET 12 -1.182 3.400 -2.956 77 HB3 MET 12 2HB MET 12 -2.223 2.123 -3.571 78 HG2 MET 12 1HG MET 12 -0.939 2.511 -5.794 79 HG3 MET 12 2HG MET 12 0.261 3.273 -4.753 80 HE1 MET 12 3HE MET 12 0.530 0.388 -2.092 81 HE2 MET 12 1HE MET 12 1.827 1.373 -2.771 82 HE3 MET 12 2HE MET 12 0.294 2.121 -2.324 83 H ASN 13 H ASN 13 -4.670 3.589 -3.085 84 HA ASN 13 HA ASN 13 -4.688 6.200 -1.774 85 HB2 ASN 13 1HB ASN 13 -6.957 5.835 -1.294 86 HB3 ASN 13 2HB ASN 13 -6.745 5.116 -2.887 87 HD21 ASN 13 1HD2 ASN 13 -6.305 2.767 -2.916 88 HD22 ASN 13 2HD2 ASN 13 -7.118 1.779 -1.755 89 H ALA 14 H ALA 14 -5.865 5.812 0.579 90 HA ALA 14 HA ALA 14 -3.822 5.001 2.284 91 HB1 ALA 14 3HB ALA 14 -5.266 6.365 3.384 92 HB2 ALA 14 1HB ALA 14 -6.690 5.665 2.615 93 HB3 ALA 14 2HB ALA 14 -5.897 4.815 3.941 94 H PHE 15 H PHE 15 -6.758 3.252 1.308 95 HA PHE 15 HA PHE 15 -6.322 0.960 2.870 96 HB2 PHE 15 1HB PHE 15 -8.488 1.188 1.994 97 HB3 PHE 15 2HB PHE 15 -7.895 1.482 0.362 98 HD1 PHE 15 2HD PHE 15 -7.181 -0.358 -1.054 99 HD2 PHE 15 1HD PHE 15 -8.710 -1.044 2.859 100 HE1 PHE 15 2HE PHE 15 -7.487 -2.739 -1.594 101 HE2 PHE 15 1HE PHE 15 -9.017 -3.426 2.325 102 HZ PHE 15 HZ PHE 15 -8.406 -4.276 0.095 103 H MET 16 H MET 16 -5.574 1.566 -0.560 104 HA MET 16 HA MET 16 -4.385 -0.876 -1.140 105 HB2 MET 16 1HB MET 16 -3.894 1.886 -2.243 106 HB3 MET 16 2HB MET 16 -3.096 0.458 -2.889 107 HG2 MET 16 1HG MET 16 -6.061 0.467 -2.650 108 HG3 MET 16 2HG MET 16 -5.300 1.375 -3.954 109 HE1 MET 16 3HE MET 16 -4.157 -1.141 -6.441 110 HE2 MET 16 1HE MET 16 -4.750 0.483 -6.091 111 HE3 MET 16 2HE MET 16 -3.193 -0.044 -5.450 112 H VAL 17 H VAL 17 -2.711 2.157 -0.273 113 HA VAL 17 HA VAL 17 -0.133 1.311 -0.140 114 HB VAL 17 HB VAL 17 -1.470 3.124 1.873 115 HG11 VAL 17 1HG1 VAL 17 0.672 3.961 2.418 116 HG12 VAL 17 2HG1 VAL 17 0.809 2.203 2.475 117 HG13 VAL 17 3HG1 VAL 17 1.432 3.093 1.085 118 HG21 VAL 17 3HG2 VAL 17 -1.482 3.555 -0.747 119 HG22 VAL 17 1HG2 VAL 17 -1.254 4.861 0.416 120 HG23 VAL 17 2HG2 VAL 17 0.140 4.152 -0.399 121 H TRP 18 H TRP 18 -2.098 1.491 2.828 122 HA TRP 18 HA TRP 18 -0.478 0.000 4.464 123 HB2 TRP 18 1HB TRP 18 -2.222 0.991 5.606 124 HB3 TRP 18 2HB TRP 18 -3.420 0.512 4.407 125 HD1 TRP 18 HD TRP 18 -1.871 -0.579 7.663 126 HE1 TRP 18 1HE TRP 18 -3.002 -2.747 8.468 127 HE3 TRP 18 3HE TRP 18 -4.536 -1.716 3.451 128 HZ2 TRP 18 2HZ TRP 18 -4.788 -4.682 7.451 129 HZ3 TRP 18 3HZ TRP 18 -5.931 -3.743 3.449 130 HH2 TRP 18 HH TRP 18 -6.052 -5.194 5.409 131 H ALA 19 H ALA 19 -2.861 -1.151 2.141 132 HA ALA 19 HA ALA 19 -2.825 -3.869 2.903 133 HB1 ALA 19 3HB ALA 19 -4.611 -3.551 1.563 134 HB2 ALA 19 1HB ALA 19 -3.806 -2.312 0.601 135 HB3 ALA 19 2HB ALA 19 -3.476 -4.018 0.296 136 H LYS 20 H LYS 20 -0.836 -1.975 0.705 137 HA LYS 20 HA LYS 20 0.468 -3.809 -0.795 138 HB2 LYS 20 1HB LYS 20 2.198 -2.284 -1.042 139 HB3 LYS 20 2HB LYS 20 0.878 -1.254 -0.505 140 HG2 LYS 20 1HG LYS 20 1.875 -1.749 1.869 141 HG3 LYS 20 2HG LYS 20 3.335 -2.100 0.942 142 HD2 LYS 20 1HD LYS 20 1.799 0.429 0.474 143 HD3 LYS 20 2HD LYS 20 2.946 0.307 1.810 144 HE2 LYS 20 1HE LYS 20 4.515 -0.630 -0.102 145 HE3 LYS 20 2HE LYS 20 3.429 0.309 -1.125 146 HZ1 LYS 20 3HZ LYS 20 4.318 2.213 -0.427 147 HZ2 LYS 20 1HZ LYS 20 5.592 1.282 0.181 148 HZ3 LYS 20 2HZ LYS 20 4.321 1.741 1.198 149 H ASP 21 H ASP 21 0.808 -3.337 2.651 150 HA ASP 21 HA ASP 21 3.027 -5.212 2.817 151 HB2 ASP 21 1HB ASP 21 2.915 -3.144 4.241 152 HB3 ASP 21 2HB ASP 21 1.542 -3.864 5.079 153 H GLU 22 H GLU 22 -0.413 -5.111 3.299 154 HA GLU 22 HA GLU 22 -0.501 -7.614 4.743 155 HB2 GLU 22 1HB GLU 22 -2.483 -5.588 3.845 156 HB3 GLU 22 2HB GLU 22 -3.064 -7.230 4.086 157 HG2 GLU 22 1HG GLU 22 -3.390 -5.894 6.080 158 HG3 GLU 22 2HG GLU 22 -2.239 -7.196 6.379 159 H ARG 23 H ARG 23 -1.837 -6.515 1.620 160 HA ARG 23 HA ARG 23 -2.681 -8.906 0.602 161 HB2 ARG 23 1HB ARG 23 -3.013 -6.760 -0.535 162 HB3 ARG 23 2HB ARG 23 -1.299 -6.689 -0.920 163 HG2 ARG 23 1HG ARG 23 -1.846 -9.031 -2.041 164 HG3 ARG 23 2HG ARG 23 -3.454 -8.311 -2.137 165 HD2 ARG 23 1HD ARG 23 -2.438 -7.702 -4.149 166 HD3 ARG 23 2HD ARG 23 -2.272 -6.270 -3.134 167 HE ARG 23 HE ARG 23 -0.008 -6.515 -3.255 168 HH11 ARG 23 1HH1 ARG 23 -1.502 -9.555 -4.061 169 HH12 ARG 23 2HH1 ARG 23 -0.010 -10.323 -4.493 170 HH21 ARG 23 1HH2 ARG 23 1.963 -7.515 -3.820 171 HH22 ARG 23 2HH2 ARG 23 1.960 -9.162 -4.354 172 H LYS 24 H LYS 24 0.609 -7.587 0.469 173 HA LYS 24 HA LYS 24 1.825 -9.505 -1.107 174 HB2 LYS 24 1HB LYS 24 3.908 -8.835 -0.120 175 HB3 LYS 24 2HB LYS 24 2.887 -7.410 -0.252 176 HG2 LYS 24 1HG LYS 24 2.652 -7.193 2.001 177 HG3 LYS 24 2HG LYS 24 2.824 -8.925 2.297 178 HD2 LYS 24 1HD LYS 24 5.182 -7.482 1.220 179 HD3 LYS 24 2HD LYS 24 4.739 -7.174 2.901 180 HE2 LYS 24 1HE LYS 24 5.099 -9.379 3.530 181 HE3 LYS 24 2HE LYS 24 4.939 -9.980 1.881 182 HZ1 LYS 24 3HZ LYS 24 7.108 -9.752 1.554 183 HZ2 LYS 24 1HZ LYS 24 7.278 -9.436 3.208 184 HZ3 LYS 24 2HZ LYS 24 7.111 -8.156 2.116 185 H ARG 25 H ARG 25 0.850 -9.681 2.246 186 HA ARG 25 HA ARG 25 2.237 -12.182 2.697 187 HB2 ARG 25 1HB ARG 25 1.769 -11.892 4.909 188 HB3 ARG 25 2HB ARG 25 1.588 -10.222 4.389 189 HG2 ARG 25 1HG ARG 25 -0.915 -11.037 3.997 190 HG3 ARG 25 2HG ARG 25 -0.453 -12.172 5.267 191 HD2 ARG 25 1HD ARG 25 0.204 -9.293 5.627 192 HD3 ARG 25 2HD ARG 25 -1.472 -9.801 5.830 193 HE ARG 25 HE ARG 25 0.698 -10.286 7.622 194 HH11 ARG 25 1HH1 ARG 25 -2.324 -11.559 6.453 195 HH12 ARG 25 2HH1 ARG 25 -2.652 -12.461 7.895 196 HH21 ARG 25 1HH2 ARG 25 0.277 -11.469 9.526 197 HH22 ARG 25 2HH2 ARG 25 -1.172 -12.408 9.643 198 H LEU 26 H LEU 26 -0.704 -11.208 1.354 199 HA LEU 26 HA LEU 26 -2.216 -13.549 2.116 200 HB2 LEU 26 1HB LEU 26 -2.825 -11.469 0.021 201 HB3 LEU 26 2HB LEU 26 -3.950 -12.659 0.672 202 HG LEU 26 HG LEU 26 -2.764 -10.289 2.109 203 HD11 LEU 26 1HD1 LEU 26 -5.526 -11.002 1.159 204 HD12 LEU 26 2HD1 LEU 26 -4.553 -9.594 0.735 205 HD13 LEU 26 3HD1 LEU 26 -5.219 -9.748 2.361 206 HD21 LEU 26 3HD2 LEU 26 -2.829 -11.946 3.759 207 HD22 LEU 26 1HD2 LEU 26 -4.320 -12.645 3.128 208 HD23 LEU 26 2HD2 LEU 26 -4.356 -11.083 3.948 209 H ALA 27 H ALA 27 -0.467 -12.383 -0.716 210 HA ALA 27 HA ALA 27 -1.242 -14.293 -2.578 211 HB1 ALA 27 3HB ALA 27 1.041 -12.469 -2.253 212 HB2 ALA 27 1HB ALA 27 1.332 -13.867 -3.289 213 HB3 ALA 27 2HB ALA 27 0.007 -12.760 -3.652 214 H GLN 28 H GLN 28 1.502 -14.393 -0.312 215 HA GLN 28 HA GLN 28 2.364 -16.982 -1.072 216 HB2 GLN 28 1HB GLN 28 3.663 -16.910 1.058 217 HB3 GLN 28 2HB GLN 28 3.908 -15.506 0.026 218 HG2 GLN 28 1HG GLN 28 2.703 -14.105 1.429 219 HG3 GLN 28 2HG GLN 28 1.887 -15.448 2.228 220 HE21 GLN 28 1HE2 GLN 28 2.586 -14.234 4.152 221 HE22 GLN 28 2HE2 GLN 28 4.159 -14.550 4.791 222 H GLN 29 H GLN 29 0.194 -15.795 1.443 223 HA GLN 29 HA GLN 29 -0.146 -18.267 2.776 224 HB2 GLN 29 1HB GLN 29 -1.558 -15.647 2.744 225 HB3 GLN 29 2HB GLN 29 -2.426 -17.031 3.397 226 HG2 GLN 29 1HG GLN 29 -0.241 -17.382 4.779 227 HG3 GLN 29 2HG GLN 29 0.024 -15.677 4.414 228 HE21 GLN 29 1HE2 GLN 29 -0.508 -14.508 6.107 229 HE22 GLN 29 2HE2 GLN 29 -1.913 -14.715 7.090 230 H ASN 30 H ASN 30 -1.658 -16.822 -0.022 231 HA ASN 30 HA ASN 30 -3.138 -19.323 -0.444 232 HB2 ASN 30 1HB ASN 30 -4.258 -16.541 -0.851 233 HB3 ASN 30 2HB ASN 30 -5.068 -18.038 -1.299 234 HD21 ASN 30 1HD2 ASN 30 -4.915 -15.705 0.977 235 HD22 ASN 30 2HD2 ASN 30 -5.536 -16.573 2.336 236 HA PRO 31 HA PRO 31 -0.612 -18.297 -4.153 237 HB2 PRO 31 1HB PRO 31 0.037 -20.880 -4.685 238 HB3 PRO 31 2HB PRO 31 0.942 -19.877 -3.544 239 HG2 PRO 31 1HG PRO 31 -1.167 -21.931 -3.002 240 HG3 PRO 31 2HG PRO 31 0.367 -21.652 -2.156 241 HD2 PRO 31 1HD PRO 31 -2.007 -20.770 -1.198 242 HD3 PRO 31 2HD PRO 31 -0.485 -19.897 -0.929 243 H ASP 32 H ASP 32 -3.491 -19.919 -3.515 244 HA ASP 32 HA ASP 32 -3.976 -20.453 -6.368 245 HB2 ASP 32 1HB ASP 32 -4.964 -21.698 -3.853 246 HB3 ASP 32 2HB ASP 32 -6.087 -21.620 -5.208 247 H LEU 33 H LEU 33 -4.720 -18.348 -3.817 248 HA LEU 33 HA LEU 33 -7.288 -17.527 -4.906 249 HB2 LEU 33 1HB LEU 33 -5.669 -16.604 -2.544 250 HB3 LEU 33 2HB LEU 33 -7.176 -15.835 -3.040 251 HG LEU 33 HG LEU 33 -6.817 -18.650 -2.020 252 HD11 LEU 33 1HD1 LEU 33 -7.000 -16.383 -0.580 253 HD12 LEU 33 2HD1 LEU 33 -7.632 -17.939 -0.045 254 HD13 LEU 33 3HD1 LEU 33 -8.710 -16.759 -0.790 255 HD21 LEU 33 3HD2 LEU 33 -8.877 -17.501 -3.702 256 HD22 LEU 33 1HD2 LEU 33 -9.525 -18.090 -2.171 257 HD23 LEU 33 2HD2 LEU 33 -8.616 -19.178 -3.220 258 H HIS 34 H HIS 34 -7.718 -15.326 -5.529 259 HA HIS 34 HA HIS 34 -5.343 -13.961 -6.616 260 HB2 HIS 34 1HB HIS 34 -6.886 -13.094 -8.397 261 HB3 HIS 34 2HB HIS 34 -6.620 -14.834 -8.449 262 HD1 HIS 34 1HD HIS 34 -9.256 -12.295 -8.153 263 HD2 HIS 34 2HD HIS 34 -8.865 -16.379 -7.502 264 HE1 HIS 34 1HE HIS 34 -11.605 -13.180 -8.004 265 HE2 HIS 34 2HE HIS 34 -11.343 -15.638 -7.525 266 H ASN 35 H ASN 35 -5.854 -11.574 -7.110 267 HA ASN 35 HA ASN 35 -6.036 -10.066 -4.921 268 HB2 ASN 35 1HB ASN 35 -7.277 -9.401 -7.598 269 HB3 ASN 35 2HB ASN 35 -6.983 -8.223 -6.323 270 HD21 ASN 35 1HD2 ASN 35 -5.643 -10.018 -8.895 271 HD22 ASN 35 2HD2 ASN 35 -4.028 -9.412 -8.781 272 H ALA 36 H ALA 36 -8.956 -10.428 -6.936 273 HA ALA 36 HA ALA 36 -10.871 -9.400 -5.381 274 HB1 ALA 36 3HB ALA 36 -12.333 -10.466 -6.707 275 HB2 ALA 36 1HB ALA 36 -10.894 -11.035 -7.554 276 HB3 ALA 36 2HB ALA 36 -11.663 -12.055 -6.337 277 H GLU 37 H GLU 37 -9.330 -12.529 -4.835 278 HA GLU 37 HA GLU 37 -11.000 -13.173 -2.585 279 HB2 GLU 37 1HB GLU 37 -8.479 -14.412 -3.686 280 HB3 GLU 37 2HB GLU 37 -9.304 -15.026 -2.261 281 HG2 GLU 37 1HG GLU 37 -10.896 -14.660 -4.735 282 HG3 GLU 37 2HG GLU 37 -9.751 -15.999 -4.674 283 H LEU 38 H LEU 38 -7.673 -12.041 -3.044 284 HA LEU 38 HA LEU 38 -6.864 -12.069 -0.373 285 HB2 LEU 38 1HB LEU 38 -6.004 -9.969 -2.337 286 HB3 LEU 38 2HB LEU 38 -5.078 -10.682 -1.018 287 HG LEU 38 HG LEU 38 -5.813 -11.984 -3.636 288 HD11 LEU 38 1HD1 LEU 38 -3.869 -11.193 -4.342 289 HD12 LEU 38 2HD1 LEU 38 -3.049 -12.061 -3.045 290 HD13 LEU 38 3HD1 LEU 38 -3.602 -10.406 -2.787 291 HD21 LEU 38 3HD2 LEU 38 -4.462 -13.890 -2.800 292 HD22 LEU 38 1HD2 LEU 38 -5.967 -13.651 -1.913 293 HD23 LEU 38 2HD2 LEU 38 -4.437 -13.128 -1.209 294 H SER 39 H SER 39 -8.316 -9.428 -2.264 295 HA SER 39 HA SER 39 -8.309 -7.386 -0.469 296 HB2 SER 39 1HB SER 39 -9.464 -7.705 -2.863 297 HB3 SER 39 2HB SER 39 -10.904 -7.845 -1.854 298 HG SER 39 HG SER 39 -9.127 -5.671 -2.116 299 H LYS 40 H LYS 40 -10.868 -9.858 -0.688 300 HA LYS 40 HA LYS 40 -12.584 -9.191 1.250 301 HB2 LYS 40 1HB LYS 40 -11.379 -11.914 0.760 302 HB3 LYS 40 2HB LYS 40 -12.749 -11.652 1.832 303 HG2 LYS 40 1HG LYS 40 -12.952 -10.572 -0.918 304 HG3 LYS 40 2HG LYS 40 -13.035 -12.324 -0.719 305 HD2 LYS 40 1HD LYS 40 -14.766 -11.796 1.129 306 HD3 LYS 40 2HD LYS 40 -14.865 -10.210 0.361 307 HE2 LYS 40 1HE LYS 40 -16.501 -11.275 -0.808 308 HE3 LYS 40 2HE LYS 40 -15.120 -11.704 -1.817 309 HZ1 LYS 40 3HZ LYS 40 -15.161 -13.852 -1.122 310 HZ2 LYS 40 1HZ LYS 40 -16.808 -13.504 -0.948 311 HZ3 LYS 40 2HZ LYS 40 -15.791 -13.484 0.404 312 H MET 41 H MET 41 -9.286 -10.216 1.772 313 HA MET 41 HA MET 41 -9.650 -10.258 4.665 314 HB2 MET 41 1HB MET 41 -7.087 -10.698 3.135 315 HB3 MET 41 2HB MET 41 -7.439 -11.160 4.794 316 HG2 MET 41 1HG MET 41 -8.938 -12.862 4.090 317 HG3 MET 41 2HG MET 41 -8.895 -12.292 2.423 318 HE1 MET 41 3HE MET 41 -6.267 -13.641 0.702 319 HE2 MET 41 1HE MET 41 -7.470 -14.873 1.088 320 HE3 MET 41 2HE MET 41 -7.967 -13.196 0.861 321 H LEU 42 H LEU 42 -8.055 -8.378 2.153 322 HA LEU 42 HA LEU 42 -6.594 -6.670 3.865 323 HB2 LEU 42 1HB LEU 42 -7.626 -6.205 1.071 324 HB3 LEU 42 2HB LEU 42 -6.455 -5.180 1.900 325 HG LEU 42 HG LEU 42 -5.978 -8.087 1.259 326 HD11 LEU 42 1HD1 LEU 42 -6.317 -6.487 -0.727 327 HD12 LEU 42 2HD1 LEU 42 -4.865 -7.487 -0.690 328 HD13 LEU 42 3HD1 LEU 42 -4.776 -5.786 -0.233 329 HD21 LEU 42 3HD2 LEU 42 -3.854 -7.803 2.051 330 HD22 LEU 42 1HD2 LEU 42 -4.722 -6.696 3.115 331 HD23 LEU 42 2HD2 LEU 42 -3.842 -6.070 1.721 332 H GLY 43 H GLY 43 -9.915 -6.751 2.888 333 HA2 GLY 43 1HA GLY 43 -10.469 -4.008 3.586 334 HA3 GLY 43 2HA GLY 43 -11.651 -5.242 3.176 335 H LYS 44 H LYS 44 -11.376 -7.150 5.007 336 HA LYS 44 HA LYS 44 -12.696 -6.193 7.247 337 HB2 LYS 44 1HB LYS 44 -12.328 -8.364 8.239 338 HB3 LYS 44 2HB LYS 44 -12.644 -8.567 6.521 339 HG2 LYS 44 1HG LYS 44 -10.339 -8.968 6.068 340 HG3 LYS 44 2HG LYS 44 -9.883 -8.522 7.715 341 HD2 LYS 44 1HD LYS 44 -11.163 -10.444 8.567 342 HD3 LYS 44 2HD LYS 44 -11.561 -10.899 6.908 343 HE2 LYS 44 1HE LYS 44 -9.023 -10.934 6.524 344 HE3 LYS 44 2HE LYS 44 -8.893 -10.936 8.282 345 HZ1 LYS 44 3HZ LYS 44 -8.970 -13.163 6.969 346 HZ2 LYS 44 1HZ LYS 44 -10.642 -12.903 6.980 347 HZ3 LYS 44 2HZ LYS 44 -9.795 -13.019 8.439 348 H SER 45 H SER 45 -9.262 -6.539 6.649 349 HA SER 45 HA SER 45 -8.525 -5.982 9.382 350 HB2 SER 45 1HB SER 45 -6.965 -6.317 6.825 351 HB3 SER 45 2HB SER 45 -6.190 -5.801 8.322 352 HG SER 45 HG SER 45 -7.656 -7.880 8.944 353 H TRP 46 H TRP 46 -8.914 -4.201 6.403 354 HA TRP 46 HA TRP 46 -7.540 -1.853 7.195 355 HB2 TRP 46 1HB TRP 46 -8.027 -2.327 4.846 356 HB3 TRP 46 2HB TRP 46 -9.756 -2.219 5.167 357 HD1 TRP 46 HD TRP 46 -10.762 0.026 4.497 358 HE1 TRP 46 1HE TRP 46 -9.908 2.441 4.251 359 HE3 TRP 46 3HE TRP 46 -5.934 -0.661 6.030 360 HZ2 TRP 46 2HZ TRP 46 -7.505 3.867 4.652 361 HZ3 TRP 46 3HZ TRP 46 -4.422 1.280 6.069 362 HH2 TRP 46 HH TRP 46 -5.193 3.496 5.394 363 H LYS 47 H LYS 47 -11.057 -2.262 6.758 364 HA LYS 47 HA LYS 47 -11.932 -0.001 8.004 365 HB2 LYS 47 1HB LYS 47 -13.076 -2.720 7.647 366 HB3 LYS 47 2HB LYS 47 -13.878 -1.664 8.802 367 HG2 LYS 47 1HG LYS 47 -14.438 -0.100 7.162 368 HG3 LYS 47 2HG LYS 47 -13.263 -0.748 6.016 369 HD2 LYS 47 1HD LYS 47 -15.603 -2.361 6.995 370 HD3 LYS 47 2HD LYS 47 -15.720 -1.290 5.597 371 HE2 LYS 47 1HE LYS 47 -13.495 -3.270 5.724 372 HE3 LYS 47 2HE LYS 47 -15.114 -3.831 5.311 373 HZ1 LYS 47 3HZ LYS 47 -13.351 -2.004 3.829 374 HZ2 LYS 47 1HZ LYS 47 -15.028 -1.876 3.638 375 HZ3 LYS 47 2HZ LYS 47 -14.243 -3.326 3.264 376 H ALA 48 H ALA 48 -10.797 -2.957 9.518 377 HA ALA 48 HA ALA 48 -11.650 -2.422 12.146 378 HB1 ALA 48 3HB ALA 48 -10.980 -4.628 11.662 379 HB2 ALA 48 1HB ALA 48 -9.413 -4.102 11.045 380 HB3 ALA 48 2HB ALA 48 -9.762 -3.998 12.771 381 H LEU 49 H LEU 49 -8.798 -1.438 10.342 382 HA LEU 49 HA LEU 49 -7.226 -0.487 12.441 383 HB2 LEU 49 1HB LEU 49 -7.472 0.390 9.576 384 HB3 LEU 49 2HB LEU 49 -6.281 1.072 10.682 385 HG LEU 49 HG LEU 49 -6.448 -1.842 9.914 386 HD11 LEU 49 1HD1 LEU 49 -4.076 -0.749 8.969 387 HD12 LEU 49 2HD1 LEU 49 -5.313 0.434 8.545 388 HD13 LEU 49 3HD1 LEU 49 -5.474 -1.239 8.012 389 HD21 LEU 49 3HD2 LEU 49 -5.340 -1.918 11.904 390 HD22 LEU 49 1HD2 LEU 49 -4.752 -0.261 11.769 391 HD23 LEU 49 2HD2 LEU 49 -3.983 -1.547 10.839 392 H THR 50 H THR 50 -6.899 1.617 13.271 393 HA THR 50 HA THR 50 -9.352 3.215 13.332 394 HB THR 50 HB THR 50 -8.414 4.294 15.320 395 HG1 THR 50 1HG THR 50 -6.400 3.118 16.118 396 HG21 THR 50 3HG2 THR 50 -8.507 2.409 16.827 397 HG22 THR 50 1HG2 THR 50 -8.150 1.292 15.511 398 HG23 THR 50 2HG2 THR 50 -9.681 2.166 15.533 399 H LEU 51 H LEU 51 -9.024 5.627 13.533 400 HA LEU 51 HA LEU 51 -7.997 6.706 11.228 401 HB2 LEU 51 1HB LEU 51 -9.532 7.861 12.761 402 HB3 LEU 51 2HB LEU 51 -8.210 8.076 13.906 403 HG LEU 51 HG LEU 51 -8.951 10.032 12.339 404 HD11 LEU 51 1HD1 LEU 51 -7.080 11.011 13.057 405 HD12 LEU 51 2HD1 LEU 51 -6.046 9.861 12.210 406 HD13 LEU 51 3HD1 LEU 51 -6.698 9.457 13.797 407 HD21 LEU 51 3HD2 LEU 51 -6.965 8.643 10.551 408 HD22 LEU 51 1HD2 LEU 51 -7.844 10.140 10.238 409 HD23 LEU 51 2HD2 LEU 51 -8.709 8.604 10.288 410 H ALA 52 H ALA 52 -6.428 6.778 14.430 411 HA ALA 52 HA ALA 52 -4.059 8.004 13.720 412 HB1 ALA 52 3HB ALA 52 -4.803 7.416 16.035 413 HB2 ALA 52 1HB ALA 52 -4.274 5.762 15.721 414 HB3 ALA 52 2HB ALA 52 -3.103 7.082 15.702 415 H GLU 53 H GLU 53 -5.068 4.690 13.216 416 HA GLU 53 HA GLU 53 -2.470 3.732 12.476 417 HB2 GLU 53 1HB GLU 53 -5.252 2.607 12.250 418 HB3 GLU 53 2HB GLU 53 -3.870 1.784 11.542 419 HG2 GLU 53 1HG GLU 53 -3.912 2.573 14.431 420 HG3 GLU 53 2HG GLU 53 -4.634 1.067 13.868 421 H LYS 54 H LYS 54 -5.209 5.118 10.807 422 HA LYS 54 HA LYS 54 -4.164 4.482 8.183 423 HB2 LYS 54 1HB LYS 54 -6.468 6.288 8.938 424 HB3 LYS 54 2HB LYS 54 -6.112 5.666 7.332 425 HG2 LYS 54 1HG LYS 54 -6.536 3.392 8.116 426 HG3 LYS 54 2HG LYS 54 -6.892 4.016 9.729 427 HD2 LYS 54 1HD LYS 54 -8.893 4.944 9.073 428 HD3 LYS 54 2HD LYS 54 -8.387 5.109 7.390 429 HE2 LYS 54 1HE LYS 54 -9.869 3.364 7.226 430 HE3 LYS 54 2HE LYS 54 -8.357 2.490 7.466 431 HZ1 LYS 54 3HZ LYS 54 -10.679 2.506 9.084 432 HZ2 LYS 54 1HZ LYS 54 -9.346 3.024 9.988 433 HZ3 LYS 54 2HZ LYS 54 -9.305 1.526 9.203 434 H ARG 55 H ARG 55 -3.599 6.841 10.504 435 HA ARG 55 HA ARG 55 -3.287 9.184 9.031 436 HB2 ARG 55 1HB ARG 55 -2.988 8.577 11.623 437 HB3 ARG 55 2HB ARG 55 -1.293 8.606 11.157 438 HG2 ARG 55 1HG ARG 55 -1.697 10.769 11.885 439 HG3 ARG 55 2HG ARG 55 -1.826 10.898 10.130 440 HD2 ARG 55 1HD ARG 55 -4.369 10.380 10.645 441 HD3 ARG 55 2HD ARG 55 -3.940 11.059 12.214 442 HE ARG 55 HE ARG 55 -3.018 12.764 10.176 443 HH11 ARG 55 1HH1 ARG 55 -5.978 11.695 11.663 444 HH12 ARG 55 2HH1 ARG 55 -6.836 13.160 11.314 445 HH21 ARG 55 1HH2 ARG 55 -4.136 14.697 9.710 446 HH22 ARG 55 2HH2 ARG 55 -5.787 14.866 10.202 447 HA PRO 56 HA PRO 56 1.292 7.778 8.254 448 HB2 PRO 56 1HB PRO 56 1.796 5.126 8.543 449 HB3 PRO 56 2HB PRO 56 1.973 6.286 9.864 450 HG2 PRO 56 1HG PRO 56 -0.289 4.417 9.275 451 HG3 PRO 56 2HG PRO 56 0.472 4.797 10.831 452 HD2 PRO 56 1HD PRO 56 -1.876 5.897 10.050 453 HD3 PRO 56 2HD PRO 56 -0.709 6.762 11.071 454 H PHE 57 H PHE 57 -1.417 5.718 7.438 455 HA PHE 57 HA PHE 57 -0.237 5.072 4.840 456 HB2 PHE 57 1HB PHE 57 -2.881 4.117 5.944 457 HB3 PHE 57 2HB PHE 57 -1.971 3.436 4.600 458 HD1 PHE 57 1HD PHE 57 0.545 2.775 5.307 459 HD2 PHE 57 2HD PHE 57 -2.818 2.955 7.910 460 HE1 PHE 57 1HE PHE 57 1.660 1.217 6.851 461 HE2 PHE 57 2HE PHE 57 -1.708 1.398 9.458 462 HZ PHE 57 HZ PHE 57 0.535 0.528 8.930 463 H VAL 58 H VAL 58 -2.246 7.366 6.241 464 HA VAL 58 HA VAL 58 -3.814 7.834 3.822 465 HB VAL 58 HB VAL 58 -3.923 8.970 6.601 466 HG11 VAL 58 1HG1 VAL 58 -4.156 10.886 5.163 467 HG12 VAL 58 2HG1 VAL 58 -5.323 10.032 4.151 468 HG13 VAL 58 3HG1 VAL 58 -5.740 10.460 5.811 469 HG21 VAL 58 3HG2 VAL 58 -6.350 8.083 5.207 470 HG22 VAL 58 1HG2 VAL 58 -5.148 6.821 5.481 471 HG23 VAL 58 2HG2 VAL 58 -5.790 7.739 6.844 472 H GLU 59 H GLU 59 -1.171 9.202 5.659 473 HA GLU 59 HA GLU 59 -1.116 11.666 4.168 474 HB2 GLU 59 1HB GLU 59 0.977 10.491 6.005 475 HB3 GLU 59 2HB GLU 59 0.917 12.150 5.425 476 HG2 GLU 59 1HG GLU 59 -1.434 11.102 6.899 477 HG3 GLU 59 2HG GLU 59 0.028 11.470 7.812 478 H GLU 60 H GLU 60 -0.037 8.507 3.639 479 HA GLU 60 HA GLU 60 2.183 9.286 1.923 480 HB2 GLU 60 1HB GLU 60 2.716 7.353 3.112 481 HB3 GLU 60 2HB GLU 60 1.106 6.673 2.921 482 HG2 GLU 60 1HG GLU 60 1.542 5.851 0.841 483 HG3 GLU 60 2HG GLU 60 2.746 7.088 0.483 484 H ALA 61 H ALA 61 -0.768 7.313 1.555 485 HA ALA 61 HA ALA 61 -0.748 7.041 -1.189 486 HB1 ALA 61 3HB ALA 61 -2.601 6.590 0.917 487 HB2 ALA 61 1HB ALA 61 -3.449 7.390 -0.407 488 HB3 ALA 61 2HB ALA 61 -2.575 5.886 -0.700 489 H GLU 62 H GLU 62 -1.734 9.790 0.747 490 HA GLU 62 HA GLU 62 -3.108 11.221 -1.253 491 HB2 GLU 62 1HB GLU 62 -3.407 11.913 0.998 492 HB3 GLU 62 2HB GLU 62 -1.676 12.085 1.253 493 HG2 GLU 62 1HG GLU 62 -1.579 14.113 0.223 494 HG3 GLU 62 2HG GLU 62 -2.949 13.767 -0.832 495 H ARG 63 H ARG 63 0.294 10.981 -0.419 496 HA ARG 63 HA ARG 63 1.166 13.135 -2.061 497 HB2 ARG 63 1HB ARG 63 2.679 10.753 -0.976 498 HB3 ARG 63 2HB ARG 63 3.421 12.148 -1.748 499 HG2 ARG 63 1HG ARG 63 2.801 13.581 0.018 500 HG3 ARG 63 2HG ARG 63 1.698 12.383 0.699 501 HD2 ARG 63 1HD ARG 63 3.602 12.320 2.074 502 HD3 ARG 63 2HD ARG 63 3.745 10.911 1.023 503 HE ARG 63 HE ARG 63 5.136 12.834 -0.291 504 HH11 ARG 63 1HH1 ARG 63 5.245 11.557 2.946 505 HH12 ARG 63 2HH1 ARG 63 6.941 11.850 3.144 506 HH21 ARG 63 1HH2 ARG 63 7.369 13.225 -0.042 507 HH22 ARG 63 2HH2 ARG 63 8.148 12.800 1.444 508 H LEU 64 H LEU 64 0.818 9.658 -2.540 509 HA LEU 64 HA LEU 64 2.098 9.516 -5.050 510 HB2 LEU 64 1HB LEU 64 -0.152 7.752 -4.113 511 HB3 LEU 64 2HB LEU 64 1.118 7.357 -5.269 512 HG LEU 64 HG LEU 64 1.506 7.790 -2.307 513 HD11 LEU 64 1HD1 LEU 64 0.749 5.476 -3.873 514 HD12 LEU 64 2HD1 LEU 64 0.795 5.692 -2.123 515 HD13 LEU 64 3HD1 LEU 64 2.254 5.213 -2.991 516 HD21 LEU 64 3HD2 LEU 64 3.574 8.325 -3.069 517 HD22 LEU 64 1HD2 LEU 64 3.361 7.457 -4.590 518 HD23 LEU 64 2HD2 LEU 64 3.737 6.569 -3.113 519 H ARG 65 H ARG 65 -1.334 9.836 -4.175 520 HA ARG 65 HA ARG 65 -2.409 9.838 -6.738 521 HB2 ARG 65 1HB ARG 65 -3.872 9.689 -4.855 522 HB3 ARG 65 2HB ARG 65 -3.310 11.229 -4.218 523 HG2 ARG 65 1HG ARG 65 -4.231 12.097 -6.548 524 HG3 ARG 65 2HG ARG 65 -5.243 10.660 -6.388 525 HD2 ARG 65 1HD ARG 65 -5.549 11.628 -3.933 526 HD3 ARG 65 2HD ARG 65 -5.181 13.141 -4.760 527 HE ARG 65 HE ARG 65 -7.240 13.056 -5.755 528 HH11 ARG 65 1HH1 ARG 65 -6.479 9.924 -4.439 529 HH12 ARG 65 2HH1 ARG 65 -8.055 9.270 -4.742 530 HH21 ARG 65 1HH2 ARG 65 -9.318 12.206 -6.159 531 HH22 ARG 65 2HH2 ARG 65 -9.668 10.568 -5.722 532 H VAL 66 H VAL 66 -1.792 12.739 -4.750 533 HA VAL 66 HA VAL 66 -2.267 14.733 -6.487 534 HB VAL 66 HB VAL 66 -0.364 16.007 -5.470 535 HG11 VAL 66 1HG1 VAL 66 -2.723 15.043 -4.290 536 HG12 VAL 66 2HG1 VAL 66 -1.474 14.947 -3.047 537 HG13 VAL 66 3HG1 VAL 66 -1.806 16.483 -3.849 538 HG21 VAL 66 3HG2 VAL 66 1.024 15.019 -3.811 539 HG22 VAL 66 1HG2 VAL 66 0.106 13.514 -3.847 540 HG23 VAL 66 2HG2 VAL 66 1.101 13.974 -5.228 541 H GLN 67 H GLN 67 0.586 12.656 -6.519 542 HA GLN 67 HA GLN 67 1.953 14.066 -8.572 543 HB2 GLN 67 1HB GLN 67 2.235 11.382 -7.288 544 HB3 GLN 67 2HB GLN 67 3.101 11.703 -8.784 545 HG2 GLN 67 1HG GLN 67 4.265 12.124 -6.516 546 HG3 GLN 67 2HG GLN 67 4.455 13.292 -7.823 547 HE21 GLN 67 1HE2 GLN 67 3.831 12.953 -4.614 548 HE22 GLN 67 2HE2 GLN 67 3.047 14.463 -4.311 549 H HIS 68 H HIS 68 0.287 10.910 -8.659 550 HA HIS 68 HA HIS 68 0.380 10.275 -11.269 551 HB2 HIS 68 1HB HIS 68 -0.812 8.825 -9.822 552 HB3 HIS 68 2HB HIS 68 -1.959 10.085 -9.377 553 HD1 HIS 68 1HD HIS 68 -1.179 7.630 -12.091 554 HD2 HIS 68 2HD HIS 68 -4.079 10.454 -11.158 555 HE1 HIS 68 1HE HIS 68 -3.062 7.218 -13.706 556 HE2 HIS 68 2HE HIS 68 -4.769 8.994 -13.178 557 H MET 69 H MET 69 -1.369 12.952 -9.902 558 HA MET 69 HA MET 69 -2.922 13.482 -12.264 559 HB2 MET 69 1HB MET 69 -2.371 15.234 -9.862 560 HB3 MET 69 2HB MET 69 -3.580 15.544 -11.101 561 HG2 MET 69 1HG MET 69 -4.502 13.220 -10.427 562 HG3 MET 69 2HG MET 69 -3.560 13.468 -8.959 563 HE1 MET 69 3HE MET 69 -4.686 14.029 -7.034 564 HE2 MET 69 1HE MET 69 -6.245 14.840 -6.879 565 HE3 MET 69 2HE MET 69 -6.148 13.254 -7.644 566 H GLN 70 H GLN 70 -0.004 14.823 -10.771 567 HA GLN 70 HA GLN 70 0.507 17.031 -12.247 568 HB2 GLN 70 1HB GLN 70 2.730 16.825 -11.658 569 HB3 GLN 70 2HB GLN 70 1.966 15.763 -10.483 570 HG2 GLN 70 1HG GLN 70 2.446 13.875 -12.118 571 HG3 GLN 70 2HG GLN 70 3.500 15.019 -12.948 572 HE21 GLN 70 1HE2 GLN 70 3.331 12.688 -10.591 573 HE22 GLN 70 2HE2 GLN 70 4.799 13.041 -9.751 574 H ASP 71 H ASP 71 0.910 13.692 -13.310 575 HA ASP 71 HA ASP 71 2.237 14.117 -15.712 576 HB2 ASP 71 1HB ASP 71 0.238 12.025 -14.870 577 HB3 ASP 71 2HB ASP 71 1.003 11.997 -16.456 578 H HIS 72 H HIS 72 -1.214 14.300 -14.977 579 HA HIS 72 HA HIS 72 -1.606 15.704 -17.527 580 HB2 HIS 72 1HB HIS 72 -3.936 14.542 -17.515 581 HB3 HIS 72 2HB HIS 72 -2.537 13.652 -18.108 582 HD1 HIS 72 1HD HIS 72 -5.056 13.704 -15.377 583 HD2 HIS 72 2HD HIS 72 -1.667 11.546 -16.434 584 HE1 HIS 72 1HE HIS 72 -5.076 11.660 -13.911 585 HE2 HIS 72 2HE HIS 72 -2.971 10.413 -14.509 586 HA PRO 73 HA PRO 73 -3.347 18.626 -14.649 587 HB2 PRO 73 1HB PRO 73 -3.989 20.495 -16.510 588 HB3 PRO 73 2HB PRO 73 -2.339 20.249 -15.925 589 HG2 PRO 73 1HG PRO 73 -3.626 19.255 -18.439 590 HG3 PRO 73 2HG PRO 73 -2.010 19.947 -18.207 591 HD2 PRO 73 1HD PRO 73 -2.437 17.281 -18.411 592 HD3 PRO 73 2HD PRO 73 -1.137 17.966 -17.415 593 H ASN 74 H ASN 74 -4.905 16.665 -16.811 594 HA ASN 74 HA ASN 74 -7.372 17.719 -17.337 595 HB2 ASN 74 1HB ASN 74 -6.452 14.942 -16.698 596 HB3 ASN 74 2HB ASN 74 -8.176 15.256 -16.877 597 HD21 ASN 74 1HD2 ASN 74 -5.074 15.731 -18.503 598 HD22 ASN 74 2HD2 ASN 74 -5.691 15.565 -20.108 599 H TYR 75 H TYR 75 -6.087 16.748 -14.262 600 HA TYR 75 HA TYR 75 -8.552 16.560 -12.863 601 HB2 TYR 75 1HB TYR 75 -7.254 16.406 -10.891 602 HB3 TYR 75 2HB TYR 75 -6.289 15.631 -12.142 603 HD1 TYR 75 2HD TYR 75 -4.483 17.088 -13.284 604 HD2 TYR 75 1HD TYR 75 -6.327 18.097 -9.584 605 HE1 TYR 75 2HE TYR 75 -2.597 18.575 -12.756 606 HE2 TYR 75 1HE TYR 75 -4.445 19.587 -9.047 607 HH TYR 75 HH TYR 75 -1.726 19.998 -11.298 608 H LYS 76 H LYS 76 -8.734 18.077 -10.796 609 HA LYS 76 HA LYS 76 -9.385 20.664 -11.817 610 HB2 LYS 76 1HB LYS 76 -10.826 19.747 -10.152 611 HB3 LYS 76 2HB LYS 76 -9.483 19.460 -9.053 612 HG2 LYS 76 1HG LYS 76 -9.196 22.044 -9.164 613 HG3 LYS 76 2HG LYS 76 -10.870 22.014 -9.723 614 HD2 LYS 76 1HD LYS 76 -10.138 20.459 -7.287 615 HD3 LYS 76 2HD LYS 76 -10.295 22.213 -7.161 616 HE2 LYS 76 1HE LYS 76 -12.441 20.613 -8.492 617 HE3 LYS 76 2HE LYS 76 -12.360 20.677 -6.732 618 HZ1 LYS 76 3HZ LYS 76 -12.362 23.131 -8.383 619 HZ2 LYS 76 1HZ LYS 76 -12.703 22.974 -6.733 620 HZ3 LYS 76 2HZ LYS 76 -13.799 22.393 -7.882 621 H SER 77 H SER 77 -8.250 22.503 -11.751 622 HA SER 77 HA SER 77 -5.615 22.433 -10.468 623 HB2 SER 77 1HB SER 77 -5.741 22.991 -12.891 624 HB3 SER 77 2HB SER 77 -6.696 24.417 -12.485 625 HG SER 77 HG SER 77 -4.954 25.397 -11.778 626 H GLY 78 H GLY 78 -8.251 24.793 -10.968 627 HA2 GLY 78 1HA GLY 78 -9.098 26.418 -9.585 628 HA3 GLY 78 2HA GLY 78 -8.470 25.476 -8.242 629 HA PRO 79 HA PRO 79 -5.074 28.660 -9.665 630 HB2 PRO 79 1HB PRO 79 -6.055 30.819 -10.986 631 HB3 PRO 79 2HB PRO 79 -5.479 29.367 -11.814 632 HG2 PRO 79 1HG PRO 79 -8.282 30.187 -11.154 633 HG3 PRO 79 2HG PRO 79 -7.646 29.479 -12.650 634 HD2 PRO 79 1HD PRO 79 -8.961 28.015 -10.791 635 HD3 PRO 79 2HD PRO 79 -7.662 27.339 -11.793 636 H SER 80 H SER 80 -4.753 29.388 -7.642 637 HA SER 80 HA SER 80 -6.754 30.941 -6.256 638 HB2 SER 80 1HB SER 80 -5.196 29.211 -5.189 639 HB3 SER 80 2HB SER 80 -3.932 30.435 -5.316 640 HG SER 80 HG SER 80 -4.907 30.598 -3.304 641 H SER 81 H SER 81 -6.593 33.083 -5.625 642 HA SER 81 HA SER 81 -4.451 34.650 -6.903 643 HB2 SER 81 1HB SER 81 -6.828 34.752 -7.962 644 HB3 SER 81 2HB SER 81 -7.226 35.751 -6.565 645 HG SER 81 HG SER 81 -6.458 36.883 -8.502 646 H GLY 82 H GLY 82 -4.074 36.772 -5.900 647 HA2 GLY 82 1HA GLY 82 -4.635 36.674 -3.000 648 HA3 GLY 82 2HA GLY 82 -3.134 37.281 -3.682
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