NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
610344 | 5lfi | 34018 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 12.131 32.886 -1.423 2 H2 MET 1 2H MET 1 13.774 32.966 -1.786 3 H3 MET 1 3H MET 1 13.034 34.236 -0.960 4 HA MET 1 HA MET 1 14.352 32.892 0.528 5 HB2 MET 1 2HB MET 1 11.334 32.619 0.921 6 HB3 MET 1 1HB MET 1 12.523 32.345 2.191 7 HG2 MET 1 2HG MET 1 13.180 34.657 2.168 8 HG3 MET 1 1HG MET 1 12.215 34.968 0.726 9 HE1 MET 1 1HE MET 1 10.335 34.066 4.866 10 HE2 MET 1 2HE MET 1 12.072 34.184 4.619 11 HE3 MET 1 3HE MET 1 11.178 32.826 3.934 12 H SER 2 H SER 2 15.172 30.895 1.006 13 HA SER 2 HA SER 2 14.012 28.525 -0.361 14 HB2 SER 2 2HB SER 2 16.912 29.039 0.473 15 HB3 SER 2 1HB SER 2 16.316 27.619 -0.391 16 HG SER 2 HG SER 2 15.730 30.092 -1.511 17 H GLY 3 H GLY 3 12.551 28.328 1.462 18 HA2 GLY 3 2HA GLY 3 13.738 26.751 3.676 19 HA3 GLY 3 1HA GLY 3 12.615 28.063 4.024 20 H SER 4 H SER 4 10.394 27.840 3.379 21 HA SER 4 HA SER 4 9.526 25.080 2.714 22 HB2 SER 4 2HB SER 4 8.352 26.859 4.905 23 HB3 SER 4 1HB SER 4 7.760 25.265 4.440 24 HG SER 4 HG SER 4 10.313 25.856 5.520 25 H HIS 5 H HIS 5 9.645 27.822 1.235 26 HA HIS 5 HA HIS 5 6.946 28.687 0.855 27 HB2 HIS 5 2HB HIS 5 8.932 30.126 0.357 28 HB3 HIS 5 1HB HIS 5 9.316 29.097 -1.018 29 HD1 HIS 5 HD1 HIS 5 6.823 31.663 0.148 30 HD2 HIS 5 HD2 HIS 5 7.792 29.615 -3.335 31 HE1 HIS 5 HE1 HIS 5 5.540 32.797 -1.679 32 HE2 HIS 5 HE2 HIS 5 6.301 31.673 -3.786 33 H HIS 6 H HIS 6 8.922 26.236 -0.676 34 HA HIS 6 HA HIS 6 7.206 25.731 -2.922 35 HB2 HIS 6 2HB HIS 6 9.364 23.998 -1.651 36 HB3 HIS 6 1HB HIS 6 8.487 23.547 -3.108 37 HD1 HIS 6 HD1 HIS 6 9.950 23.906 -5.062 38 HD2 HIS 6 HD2 HIS 6 10.464 26.901 -2.242 39 HE1 HIS 6 HE1 HIS 6 11.661 25.453 -6.034 40 HE2 HIS 6 HE2 HIS 6 12.047 27.185 -4.261 41 H HIS 7 H HIS 7 7.165 24.802 0.424 42 HA HIS 7 HA HIS 7 5.221 22.677 0.132 43 HB2 HIS 7 2HB HIS 7 6.164 24.192 2.608 44 HB3 HIS 7 1HB HIS 7 5.007 22.864 2.648 45 HD1 HIS 7 HD1 HIS 7 6.066 20.712 3.244 46 HD2 HIS 7 HD2 HIS 7 8.711 23.215 1.265 47 HE1 HIS 7 HE1 HIS 7 8.250 19.483 3.205 48 HE2 HIS 7 HE2 HIS 7 9.783 20.951 1.861 49 H HIS 8 H HIS 8 3.660 23.717 -1.142 50 HA HIS 8 HA HIS 8 1.502 24.834 0.400 51 HB2 HIS 8 2HB HIS 8 1.134 26.866 -0.898 52 HB3 HIS 8 1HB HIS 8 2.781 26.928 -0.289 53 HD1 HIS 8 HD1 HIS 8 0.968 27.669 -3.221 54 HD2 HIS 8 HD2 HIS 8 4.631 25.838 -2.533 55 HE1 HIS 8 HE1 HIS 8 2.203 27.791 -5.399 56 HE2 HIS 8 HE2 HIS 8 4.473 26.848 -4.895 57 H HIS 9 H HIS 9 -0.385 24.033 -0.435 58 HA HIS 9 HA HIS 9 -1.803 22.739 -1.626 59 HB2 HIS 9 2HB HIS 9 -1.763 24.517 -3.285 60 HB3 HIS 9 1HB HIS 9 -0.228 23.971 -3.933 61 HD1 HIS 9 HD1 HIS 9 -0.278 22.185 -5.730 62 HD2 HIS 9 HD2 HIS 9 -4.029 22.971 -4.130 63 HE1 HIS 9 HE1 HIS 9 -1.913 21.059 -7.260 64 HE2 HIS 9 HE2 HIS 9 -4.170 21.566 -6.287 65 H HIS 10 H HIS 10 -0.837 20.909 -0.579 66 HA HIS 10 HA HIS 10 1.290 19.366 -1.690 67 HB2 HIS 10 2HB HIS 10 -0.907 18.442 0.222 68 HB3 HIS 10 1HB HIS 10 0.611 17.606 -0.089 69 HD1 HIS 10 HD1 HIS 10 -0.631 19.017 2.645 70 HD2 HIS 10 HD2 HIS 10 2.671 20.134 0.389 71 HE1 HIS 10 HE1 HIS 10 0.833 20.337 4.202 72 HE2 HIS 10 HE2 HIS 10 2.840 20.954 2.826 73 H SER 11 H SER 11 1.226 17.585 -3.023 74 HA SER 11 HA SER 11 -0.867 17.265 -4.896 75 HB2 SER 11 2HB SER 11 1.414 15.349 -4.246 76 HB3 SER 11 1HB SER 11 0.470 15.378 -5.742 77 HG SER 11 HG SER 11 2.435 16.470 -5.995 78 H SER 12 H SER 12 0.077 15.448 -2.018 79 HA SER 12 HA SER 12 -2.141 13.615 -2.082 80 HB2 SER 12 2HB SER 12 -0.305 14.389 0.234 81 HB3 SER 12 1HB SER 12 -1.375 12.984 0.171 82 HG SER 12 HG SER 12 0.155 12.921 -1.995 83 H GLY 13 H GLY 13 -4.015 14.786 -2.266 84 HA2 GLY 13 2HA GLY 13 -4.588 17.222 -0.870 85 HA3 GLY 13 1HA GLY 13 -5.716 16.272 -1.822 86 H ILE 14 H ILE 14 -6.159 17.609 0.730 87 HA ILE 14 HA ILE 14 -7.173 15.370 2.317 88 HB ILE 14 HB ILE 14 -6.175 15.668 4.385 89 HG12 ILE 14 2HG1 ILE 14 -5.123 18.514 3.812 90 HG13 ILE 14 1HG1 ILE 14 -6.541 18.105 4.767 91 HG21 ILE 14 1HG2 ILE 14 -3.702 15.777 4.129 92 HG22 ILE 14 2HG2 ILE 14 -3.924 16.377 2.486 93 HG23 ILE 14 3HG2 ILE 14 -4.498 14.771 2.916 94 HD11 ILE 14 1HD1 ILE 14 -5.111 16.944 6.365 95 HD12 ILE 14 2HD1 ILE 14 -4.672 18.640 6.177 96 HD13 ILE 14 3HD1 ILE 14 -3.693 17.386 5.415 97 H GLU 15 H GLU 15 -9.213 15.772 2.649 98 HA GLU 15 HA GLU 15 -10.293 18.291 3.597 99 HB2 GLU 15 2HB GLU 15 -11.003 17.212 0.826 100 HB3 GLU 15 1HB GLU 15 -12.064 18.309 1.704 101 HG2 GLU 15 2HG GLU 15 -10.391 20.074 1.631 102 HG3 GLU 15 1HG GLU 15 -9.217 18.986 0.887 103 H GLY 16 H GLY 16 -12.804 17.993 3.746 104 HA2 GLY 16 2HA GLY 16 -13.536 15.184 4.395 105 HA3 GLY 16 1HA GLY 16 -13.836 16.503 5.523 106 H ARG 17 H ARG 17 -14.174 16.658 2.024 107 HA ARG 17 HA ARG 17 -17.009 17.371 2.230 108 HB2 ARG 17 2HB ARG 17 -15.036 17.419 -0.097 109 HB3 ARG 17 1HB ARG 17 -16.742 17.818 -0.264 110 HG2 ARG 17 2HG ARG 17 -16.430 19.678 1.385 111 HG3 ARG 17 1HG ARG 17 -14.702 19.314 1.416 112 HD2 ARG 17 2HD ARG 17 -16.260 20.107 -1.071 113 HD3 ARG 17 1HD ARG 17 -15.291 21.215 -0.102 114 HE ARG 17 HE ARG 17 -13.319 19.981 -0.755 115 HH11 ARG 17 1HH1 ARG 17 -16.179 19.279 -2.703 116 HH12 ARG 17 2HH1 ARG 17 -15.252 18.708 -4.059 117 HH21 ARG 17 1HH2 ARG 17 -12.137 19.257 -2.531 118 HH22 ARG 17 2HH2 ARG 17 -12.956 18.697 -3.958 119 H GLY 18 H GLY 18 -17.561 16.308 -0.559 120 HA2 GLY 18 2HA GLY 18 -18.791 13.868 0.412 121 HA3 GLY 18 1HA GLY 18 -19.099 14.689 -1.102 122 H ARG 19 H ARG 19 -16.100 13.259 0.236 123 HA ARG 19 HA ARG 19 -15.608 11.590 -2.075 124 HB2 ARG 19 2HB ARG 19 -14.464 11.614 0.754 125 HB3 ARG 19 1HB ARG 19 -13.924 10.478 -0.479 126 HG2 ARG 19 2HG ARG 19 -13.755 13.492 -0.762 127 HG3 ARG 19 1HG ARG 19 -12.443 12.474 -0.165 128 HD2 ARG 19 2HD ARG 19 -12.533 11.210 -2.343 129 HD3 ARG 19 1HD ARG 19 -13.694 12.405 -2.929 130 HE ARG 19 HE ARG 19 -11.916 14.095 -2.525 131 HH11 ARG 19 1HH1 ARG 19 -10.982 10.754 -3.197 132 HH12 ARG 19 2HH1 ARG 19 -9.425 11.199 -3.831 133 HH21 ARG 19 1HH2 ARG 19 -9.909 14.636 -3.353 134 HH22 ARG 19 2HH2 ARG 19 -8.837 13.392 -3.911 135 H MET 20 H MET 20 -16.531 10.943 1.301 136 HA MET 20 HA MET 20 -18.344 8.756 0.444 137 HB2 MET 20 2HB MET 20 -17.225 9.317 3.252 138 HB3 MET 20 1HB MET 20 -18.264 7.970 2.802 139 HG2 MET 20 2HG MET 20 -15.434 8.402 1.826 140 HG3 MET 20 1HG MET 20 -15.926 7.275 3.092 141 HE1 MET 20 1HE MET 20 -14.702 5.287 1.877 142 HE2 MET 20 2HE MET 20 -14.165 6.364 0.586 143 HE3 MET 20 3HE MET 20 -14.971 4.843 0.195 144 H LYS 21 H LYS 21 -17.980 11.097 3.057 145 HA LYS 21 HA LYS 21 -19.936 12.955 2.462 146 HB2 LYS 21 2HB LYS 21 -21.765 12.408 4.042 147 HB3 LYS 21 1HB LYS 21 -21.610 11.165 2.810 148 HG2 LYS 21 2HG LYS 21 -20.281 9.809 4.537 149 HG3 LYS 21 1HG LYS 21 -20.815 10.991 5.735 150 HD2 LYS 21 2HD LYS 21 -22.557 9.145 4.064 151 HD3 LYS 21 1HD LYS 21 -22.294 9.069 5.807 152 HE2 LYS 21 2HE LYS 21 -23.745 11.286 4.313 153 HE3 LYS 21 1HE LYS 21 -24.491 10.026 5.294 154 HZ1 LYS 21 1HZ LYS 21 -22.665 12.142 6.289 155 HZ2 LYS 21 2HZ LYS 21 -23.339 10.913 7.230 156 HZ3 LYS 21 3HZ LYS 21 -24.336 12.071 6.517 157 H LYS 22 H LYS 22 -18.395 11.081 4.997 158 HA LYS 22 HA LYS 22 -16.895 13.449 5.880 159 HB2 LYS 22 2HB LYS 22 -17.017 12.674 8.246 160 HB3 LYS 22 1HB LYS 22 -18.597 13.150 7.633 161 HG2 LYS 22 2HG LYS 22 -19.384 10.916 7.531 162 HG3 LYS 22 1HG LYS 22 -17.755 10.239 7.598 163 HD2 LYS 22 2HD LYS 22 -19.016 9.934 9.724 164 HD3 LYS 22 1HD LYS 22 -17.527 10.856 9.934 165 HE2 LYS 22 2HE LYS 22 -19.321 11.849 11.241 166 HE3 LYS 22 1HE LYS 22 -18.854 12.955 9.949 167 HZ1 LYS 22 1HZ LYS 22 -21.186 12.929 10.011 168 HZ2 LYS 22 2HZ LYS 22 -21.264 11.248 10.113 169 HZ3 LYS 22 3HZ LYS 22 -20.781 11.984 8.673 170 H LYS 23 H LYS 23 -15.133 12.288 7.575 171 HA LYS 23 HA LYS 23 -14.307 9.642 7.216 172 HB2 LYS 23 2HB LYS 23 -12.280 9.905 5.782 173 HB3 LYS 23 1HB LYS 23 -13.764 10.216 4.889 174 HG2 LYS 23 2HG LYS 23 -13.392 12.638 5.025 175 HG3 LYS 23 1HG LYS 23 -11.957 12.377 6.027 176 HD2 LYS 23 2HD LYS 23 -11.382 12.843 3.662 177 HD3 LYS 23 1HD LYS 23 -10.814 11.257 4.191 178 HE2 LYS 23 2HE LYS 23 -12.840 10.240 3.103 179 HE3 LYS 23 1HE LYS 23 -13.261 11.842 2.490 180 HZ1 LYS 23 1HZ LYS 23 -11.229 11.888 1.237 181 HZ2 LYS 23 2HZ LYS 23 -12.040 10.460 0.877 182 HZ3 LYS 23 3HZ LYS 23 -10.712 10.442 1.905 183 H GLN 24 H GLN 24 -11.794 9.481 7.681 184 HA GLN 24 HA GLN 24 -10.951 11.295 9.820 185 HB2 GLN 24 2HB GLN 24 -9.143 9.665 10.214 186 HB3 GLN 24 1HB GLN 24 -10.692 8.858 10.224 187 HG2 GLN 24 2HG GLN 24 -9.018 8.824 7.717 188 HG3 GLN 24 1HG GLN 24 -8.598 7.762 9.057 189 HE21 GLN 24 1HE2 GLN 24 -8.981 5.928 7.805 190 HE22 GLN 24 2HE2 GLN 24 -10.571 5.393 7.397 191 H ILE 25 H ILE 25 -9.678 13.012 9.308 192 HA ILE 25 HA ILE 25 -8.698 13.290 6.560 193 HB ILE 25 HB ILE 25 -9.011 15.325 8.823 194 HG12 ILE 25 2HG1 ILE 25 -10.436 16.612 7.288 195 HG13 ILE 25 1HG1 ILE 25 -10.080 15.555 5.940 196 HG21 ILE 25 1HG2 ILE 25 -7.506 15.856 6.230 197 HG22 ILE 25 2HG2 ILE 25 -6.811 15.826 7.850 198 HG23 ILE 25 3HG2 ILE 25 -7.957 17.090 7.412 199 HD11 ILE 25 1HD1 ILE 25 -12.307 15.218 6.758 200 HD12 ILE 25 2HD1 ILE 25 -11.723 14.891 8.383 201 HD13 ILE 25 3HD1 ILE 25 -11.359 13.769 7.066 202 H GLU 26 H GLU 26 -7.404 13.393 9.891 203 HA GLU 26 HA GLU 26 -4.724 13.975 9.146 204 HB2 GLU 26 2HB GLU 26 -5.778 12.772 11.743 205 HB3 GLU 26 1HB GLU 26 -4.140 13.385 11.503 206 HG2 GLU 26 2HG GLU 26 -5.085 15.645 11.043 207 HG3 GLU 26 1HG GLU 26 -6.697 15.014 11.381 208 H PHE 27 H PHE 27 -6.405 10.905 9.759 209 HA PHE 27 HA PHE 27 -3.971 9.352 9.719 210 HB2 PHE 27 2HB PHE 27 -5.946 8.648 11.097 211 HB3 PHE 27 1HB PHE 27 -6.845 8.335 9.617 212 HD1 PHE 27 HD1 PHE 27 -3.835 7.282 11.564 213 HD2 PHE 27 HD2 PHE 27 -6.593 6.219 8.470 214 HE1 PHE 27 HE1 PHE 27 -2.893 5.020 11.497 215 HE2 PHE 27 HE2 PHE 27 -5.650 3.948 8.434 216 HZ PHE 27 HZ PHE 27 -3.793 3.357 9.933 217 H GLU 28 H GLU 28 -6.616 10.070 7.462 218 HA GLU 28 HA GLU 28 -5.734 8.397 5.365 219 HB2 GLU 28 2HB GLU 28 -7.999 9.338 5.396 220 HB3 GLU 28 1HB GLU 28 -7.348 10.965 5.199 221 HG2 GLU 28 2HG GLU 28 -6.477 10.399 2.996 222 HG3 GLU 28 1HG GLU 28 -6.979 8.729 3.180 223 H ASN 29 H ASN 29 -4.967 11.742 6.289 224 HA ASN 29 HA ASN 29 -3.266 12.392 4.114 225 HB2 ASN 29 2HB ASN 29 -4.054 14.190 5.585 226 HB3 ASN 29 1HB ASN 29 -3.227 13.488 6.975 227 HD21 ASN 29 1HD2 ASN 29 -1.950 15.273 7.360 228 HD22 ASN 29 2HD2 ASN 29 -0.685 15.802 6.308 229 H GLU 30 H GLU 30 -2.696 10.866 7.234 230 HA GLU 30 HA GLU 30 0.133 10.854 7.183 231 HB2 GLU 30 2HB GLU 30 -1.254 10.571 9.252 232 HB3 GLU 30 1HB GLU 30 -1.756 8.980 8.699 233 HG2 GLU 30 2HG GLU 30 -0.031 8.758 10.375 234 HG3 GLU 30 1HG GLU 30 0.595 8.215 8.820 235 H LEU 31 H LEU 31 -2.304 8.497 6.230 236 HA LEU 31 HA LEU 31 -0.415 6.410 5.517 237 HB2 LEU 31 2HB LEU 31 -2.646 5.782 6.321 238 HB3 LEU 31 1HB LEU 31 -3.421 6.564 4.959 239 HG LEU 31 HG LEU 31 -1.489 4.290 4.385 240 HD11 LEU 31 1HD1 LEU 31 -3.279 2.598 4.558 241 HD12 LEU 31 2HD1 LEU 31 -4.348 3.786 5.293 242 HD13 LEU 31 3HD1 LEU 31 -2.876 3.282 6.127 243 HD21 LEU 31 1HD2 LEU 31 -2.423 5.464 2.444 244 HD22 LEU 31 2HD2 LEU 31 -4.068 5.122 2.986 245 HD23 LEU 31 3HD2 LEU 31 -3.011 3.806 2.505 246 H ARG 32 H ARG 32 -2.107 8.951 3.699 247 HA ARG 32 HA ARG 32 -1.602 7.630 1.145 248 HB2 ARG 32 2HB ARG 32 -2.946 10.302 1.709 249 HB3 ARG 32 1HB ARG 32 -2.681 9.659 0.093 250 HG2 ARG 32 2HG ARG 32 -4.035 7.558 1.105 251 HG3 ARG 32 1HG ARG 32 -4.678 8.796 2.180 252 HD2 ARG 32 2HD ARG 32 -6.172 8.580 0.313 253 HD3 ARG 32 1HD ARG 32 -5.334 10.132 0.162 254 HE ARG 32 HE ARG 32 -3.986 8.046 -1.237 255 HH11 ARG 32 1HH1 ARG 32 -6.695 10.286 -1.604 256 HH12 ARG 32 2HH1 ARG 32 -6.653 10.217 -3.340 257 HH21 ARG 32 1HH2 ARG 32 -3.993 7.928 -3.480 258 HH22 ARG 32 2HH2 ARG 32 -5.124 8.881 -4.388 259 H SER 33 H SER 33 -0.260 10.272 3.021 260 HA SER 33 HA SER 33 1.617 11.220 1.124 261 HB2 SER 33 2HB SER 33 1.709 11.181 4.169 262 HB3 SER 33 1HB SER 33 2.802 12.113 3.141 263 HG SER 33 HG SER 33 0.380 12.806 4.007 264 H MET 34 H MET 34 1.681 8.628 3.550 265 HA MET 34 HA MET 34 4.438 7.917 3.265 266 HB2 MET 34 2HB MET 34 2.089 6.267 4.312 267 HB3 MET 34 1HB MET 34 3.750 5.708 4.327 268 HG2 MET 34 2HG MET 34 4.360 7.472 5.915 269 HG3 MET 34 1HG MET 34 2.714 8.097 5.876 270 HE1 MET 34 1HE MET 34 3.883 3.965 7.541 271 HE2 MET 34 2HE MET 34 5.042 5.154 6.953 272 HE3 MET 34 3HE MET 34 3.942 4.364 5.822 273 H LEU 35 H LEU 35 1.462 6.948 1.640 274 HA LEU 35 HA LEU 35 2.725 4.748 0.244 275 HB2 LEU 35 2HB LEU 35 0.154 5.005 0.908 276 HB3 LEU 35 1HB LEU 35 0.024 5.879 -0.599 277 HG LEU 35 HG LEU 35 0.958 2.965 -0.401 278 HD11 LEU 35 1HD1 LEU 35 -1.296 3.023 0.386 279 HD12 LEU 35 2HD1 LEU 35 -1.296 2.356 -1.235 280 HD13 LEU 35 3HD1 LEU 35 -1.823 4.022 -0.968 281 HD21 LEU 35 1HD2 LEU 35 0.100 4.605 -2.787 282 HD22 LEU 35 2HD2 LEU 35 0.418 2.872 -2.808 283 HD23 LEU 35 3HD2 LEU 35 1.720 4.002 -2.461 284 H ALA 36 H ALA 36 1.984 8.143 -0.410 285 HA ALA 36 HA ALA 36 2.709 8.211 -3.158 286 HB1 ALA 36 1HB ALA 36 1.460 10.038 -2.097 287 HB2 ALA 36 2HB ALA 36 2.938 10.647 -2.845 288 HB3 ALA 36 3HB ALA 36 2.857 10.431 -1.094 289 H THR 37 H THR 37 4.575 8.645 -0.154 290 HA THR 37 HA THR 37 7.137 9.088 -1.266 291 HB THR 37 HB THR 37 6.446 7.729 1.389 292 HG1 THR 37 HG1 THR 37 5.902 9.651 2.044 293 HG21 THR 37 1HG2 THR 37 8.986 9.196 0.568 294 HG22 THR 37 2HG2 THR 37 8.842 7.449 0.789 295 HG23 THR 37 3HG2 THR 37 8.644 8.537 2.168 296 H ALA 38 H ALA 38 5.307 6.182 -0.480 297 HA ALA 38 HA ALA 38 7.332 4.247 -0.889 298 HB1 ALA 38 1HB ALA 38 5.531 2.606 -0.806 299 HB2 ALA 38 2HB ALA 38 4.329 3.880 -1.007 300 HB3 ALA 38 3HB ALA 38 5.312 3.825 0.451 301 H LEU 39 H LEU 39 5.072 5.826 -3.133 302 HA LEU 39 HA LEU 39 5.740 4.155 -5.385 303 HB2 LEU 39 2HB LEU 39 4.674 7.013 -5.415 304 HB3 LEU 39 1HB LEU 39 4.770 5.960 -6.813 305 HG LEU 39 HG LEU 39 2.889 5.638 -4.438 306 HD11 LEU 39 1HD1 LEU 39 2.273 7.466 -5.918 307 HD12 LEU 39 2HD1 LEU 39 1.121 6.147 -6.030 308 HD13 LEU 39 3HD1 LEU 39 2.309 6.383 -7.314 309 HD21 LEU 39 1HD2 LEU 39 3.301 3.394 -5.123 310 HD22 LEU 39 2HD2 LEU 39 3.263 3.821 -6.838 311 HD23 LEU 39 3HD2 LEU 39 1.785 3.853 -5.882 312 H GLU 40 H GLU 40 7.003 7.173 -4.051 313 HA GLU 40 HA GLU 40 8.914 7.625 -6.152 314 HB2 GLU 40 2HB GLU 40 8.735 8.777 -3.337 315 HB3 GLU 40 1HB GLU 40 9.863 9.332 -4.571 316 HG2 GLU 40 2HG GLU 40 6.840 9.448 -4.772 317 HG3 GLU 40 1HG GLU 40 7.896 10.802 -4.392 318 H LYS 41 H LYS 41 8.869 5.594 -3.362 319 HA LYS 41 HA LYS 41 11.693 4.984 -3.329 320 HB2 LYS 41 2HB LYS 41 9.242 3.536 -2.228 321 HB3 LYS 41 1HB LYS 41 10.882 2.932 -2.016 322 HG2 LYS 41 2HG LYS 41 9.790 5.560 -0.984 323 HG3 LYS 41 1HG LYS 41 10.077 4.091 -0.033 324 HD2 LYS 41 2HD LYS 41 12.566 4.288 -0.722 325 HD3 LYS 41 1HD LYS 41 12.180 5.856 -1.410 326 HE2 LYS 41 2HE LYS 41 11.670 6.727 0.898 327 HE3 LYS 41 1HE LYS 41 12.083 5.138 1.579 328 HZ1 LYS 41 1HZ LYS 41 14.297 5.369 0.678 329 HZ2 LYS 41 2HZ LYS 41 13.925 6.669 1.688 330 HZ3 LYS 41 3HZ LYS 41 13.906 6.873 0.015 331 H ASP 42 H ASP 42 12.652 2.995 -4.106 332 HA ASP 42 HA ASP 42 11.842 2.270 -6.766 333 HB2 ASP 42 2HB ASP 42 14.034 1.141 -4.965 334 HB3 ASP 42 1HB ASP 42 13.769 0.605 -6.623 335 H ILE 43 H ILE 43 10.083 1.038 -7.032 336 HA ILE 43 HA ILE 43 9.750 -1.450 -5.432 337 HB ILE 43 HB ILE 43 7.288 -1.168 -5.612 338 HG12 ILE 43 2HG1 ILE 43 7.938 1.510 -6.945 339 HG13 ILE 43 1HG1 ILE 43 7.053 0.165 -7.656 340 HG21 ILE 43 1HG2 ILE 43 8.433 -0.330 -3.605 341 HG22 ILE 43 2HG2 ILE 43 7.036 0.681 -3.973 342 HG23 ILE 43 3HG2 ILE 43 8.662 1.246 -4.366 343 HD11 ILE 43 1HD1 ILE 43 5.255 0.523 -5.988 344 HD12 ILE 43 2HD1 ILE 43 5.517 1.899 -7.059 345 HD13 ILE 43 3HD1 ILE 43 6.125 1.947 -5.404 346 H SER 44 H SER 44 9.140 -3.281 -6.581 347 HA SER 44 HA SER 44 9.838 -3.286 -9.444 348 HB2 SER 44 2HB SER 44 10.781 -5.105 -8.013 349 HB3 SER 44 1HB SER 44 9.152 -5.663 -7.618 350 HG SER 44 HG SER 44 9.132 -6.735 -9.404 351 H GLN 45 H GLN 45 8.392 -4.965 -10.791 352 HA GLN 45 HA GLN 45 6.190 -3.592 -11.628 353 HB2 GLN 45 2HB GLN 45 7.377 -5.290 -12.970 354 HB3 GLN 45 1HB GLN 45 6.696 -6.584 -12.005 355 HG2 GLN 45 2HG GLN 45 4.887 -4.696 -13.539 356 HG3 GLN 45 1HG GLN 45 5.678 -6.034 -14.364 357 HE21 GLN 45 1HE2 GLN 45 5.104 -8.181 -13.736 358 HE22 GLN 45 2HE2 GLN 45 3.573 -8.519 -13.006 359 H GLU 46 H GLU 46 6.191 -6.200 -9.211 360 HA GLU 46 HA GLU 46 3.316 -6.563 -9.303 361 HB2 GLU 46 2HB GLU 46 5.349 -7.715 -7.339 362 HB3 GLU 46 1HB GLU 46 3.664 -8.200 -7.476 363 HG2 GLU 46 2HG GLU 46 4.998 -9.873 -8.534 364 HG3 GLU 46 1HG GLU 46 4.117 -9.005 -9.791 365 H GLU 47 H GLU 47 5.668 -4.994 -7.174 366 HA GLU 47 HA GLU 47 3.807 -4.464 -5.045 367 HB2 GLU 47 2HB GLU 47 6.361 -4.747 -4.818 368 HB3 GLU 47 1HB GLU 47 6.540 -3.158 -5.534 369 HG2 GLU 47 2HG GLU 47 5.531 -2.102 -3.609 370 HG3 GLU 47 1HG GLU 47 5.070 -3.650 -2.916 371 H ARG 48 H ARG 48 5.236 -2.685 -7.715 372 HA ARG 48 HA ARG 48 4.027 -0.188 -7.493 373 HB2 ARG 48 2HB ARG 48 5.868 -0.726 -9.076 374 HB3 ARG 48 1HB ARG 48 4.739 -1.693 -10.018 375 HG2 ARG 48 2HG ARG 48 3.382 0.356 -10.440 376 HG3 ARG 48 1HG ARG 48 4.599 1.300 -9.575 377 HD2 ARG 48 2HD ARG 48 4.936 1.470 -11.991 378 HD3 ARG 48 1HD ARG 48 6.295 0.635 -11.236 379 HE ARG 48 HE ARG 48 4.099 -0.860 -12.541 380 HH11 ARG 48 1HH1 ARG 48 7.536 -0.136 -12.298 381 HH12 ARG 48 2HH1 ARG 48 8.006 -1.396 -13.396 382 HH21 ARG 48 1HH2 ARG 48 4.716 -2.508 -13.965 383 HH22 ARG 48 2HH2 ARG 48 6.395 -2.744 -14.343 384 H ASN 49 H ASN 49 2.939 -3.195 -8.980 385 HA ASN 49 HA ASN 49 0.629 -2.270 -10.283 386 HB2 ASN 49 2HB ASN 49 1.868 -4.483 -10.612 387 HB3 ASN 49 1HB ASN 49 1.050 -5.083 -9.180 388 HD21 ASN 49 1HD2 ASN 49 0.994 -5.858 -12.079 389 HD22 ASN 49 2HD2 ASN 49 -0.693 -5.914 -12.472 390 H ALA 50 H ALA 50 1.057 -3.689 -7.032 391 HA ALA 50 HA ALA 50 -1.634 -3.664 -6.179 392 HB1 ALA 50 1HB ALA 50 0.898 -3.460 -4.507 393 HB2 ALA 50 2HB ALA 50 0.139 -4.955 -5.053 394 HB3 ALA 50 3HB ALA 50 -0.708 -3.912 -3.911 395 H LEU 51 H LEU 51 0.976 -1.218 -5.827 396 HA LEU 51 HA LEU 51 -0.752 0.546 -4.290 397 HB2 LEU 51 2HB LEU 51 2.001 1.159 -5.394 398 HB3 LEU 51 1HB LEU 51 1.154 2.060 -4.163 399 HG LEU 51 HG LEU 51 2.399 -0.705 -3.872 400 HD11 LEU 51 1HD1 LEU 51 3.877 0.353 -2.224 401 HD12 LEU 51 2HD1 LEU 51 3.096 1.913 -2.492 402 HD13 LEU 51 3HD1 LEU 51 4.013 1.152 -3.786 403 HD21 LEU 51 1HD2 LEU 51 1.792 -0.545 -1.428 404 HD22 LEU 51 2HD2 LEU 51 0.443 -0.854 -2.499 405 HD23 LEU 51 3HD2 LEU 51 0.690 0.769 -1.837 406 H ASN 52 H ASN 52 -0.093 0.204 -7.680 407 HA ASN 52 HA ASN 52 -1.092 2.797 -8.438 408 HB2 ASN 52 2HB ASN 52 -0.470 0.295 -10.019 409 HB3 ASN 52 1HB ASN 52 -1.419 1.581 -10.768 410 HD21 ASN 52 1HD2 ASN 52 0.027 2.345 -12.224 411 HD22 ASN 52 2HD2 ASN 52 1.562 3.032 -11.820 412 H ILE 53 H ILE 53 -2.387 -0.482 -8.283 413 HA ILE 53 HA ILE 53 -5.090 -0.073 -8.884 414 HB ILE 53 HB ILE 53 -3.667 -2.069 -7.082 415 HG12 ILE 53 2HG1 ILE 53 -5.086 -2.374 -9.771 416 HG13 ILE 53 1HG1 ILE 53 -3.350 -2.385 -9.498 417 HG21 ILE 53 1HG2 ILE 53 -5.856 -1.779 -6.038 418 HG22 ILE 53 2HG2 ILE 53 -5.754 -3.362 -6.808 419 HG23 ILE 53 3HG2 ILE 53 -6.661 -2.058 -7.583 420 HD11 ILE 53 1HD1 ILE 53 -4.134 -4.614 -9.867 421 HD12 ILE 53 2HD1 ILE 53 -5.315 -4.471 -8.565 422 HD13 ILE 53 3HD1 ILE 53 -3.586 -4.459 -8.199 423 H ALA 54 H ALA 54 -3.214 0.412 -5.931 424 HA ALA 54 HA ALA 54 -5.284 1.031 -4.133 425 HB1 ALA 54 1HB ALA 54 -3.568 2.081 -2.731 426 HB2 ALA 54 2HB ALA 54 -2.426 2.051 -4.079 427 HB3 ALA 54 3HB ALA 54 -3.002 0.540 -3.373 428 H GLU 55 H GLU 55 -3.233 3.251 -6.162 429 HA GLU 55 HA GLU 55 -4.408 5.683 -5.338 430 HB2 GLU 55 2HB GLU 55 -3.072 5.000 -7.964 431 HB3 GLU 55 1HB GLU 55 -3.949 6.499 -7.859 432 HG2 GLU 55 2HG GLU 55 -1.442 5.739 -6.379 433 HG3 GLU 55 1HG GLU 55 -1.708 7.043 -7.503 434 H LYS 56 H LYS 56 -5.395 3.534 -8.008 435 HA LYS 56 HA LYS 56 -7.348 5.364 -9.025 436 HB2 LYS 56 2HB LYS 56 -6.955 2.410 -9.561 437 HB3 LYS 56 1HB LYS 56 -8.158 3.374 -10.387 438 HG2 LYS 56 2HG LYS 56 -5.164 3.890 -10.514 439 HG3 LYS 56 1HG LYS 56 -6.082 2.978 -11.706 440 HD2 LYS 56 2HD LYS 56 -5.996 5.068 -12.723 441 HD3 LYS 56 1HD LYS 56 -7.540 5.184 -11.884 442 HE2 LYS 56 2HE LYS 56 -6.371 6.418 -10.039 443 HE3 LYS 56 1HE LYS 56 -4.885 6.364 -10.990 444 HZ1 LYS 56 1HZ LYS 56 -5.970 8.461 -11.309 445 HZ2 LYS 56 2HZ LYS 56 -7.421 7.724 -11.749 446 HZ3 LYS 56 3HZ LYS 56 -6.068 7.594 -12.749 447 H ALA 57 H ALA 57 -7.531 2.660 -6.724 448 HA ALA 57 HA ALA 57 -10.415 2.690 -6.564 449 HB1 ALA 57 1HB ALA 57 -10.079 1.123 -4.634 450 HB2 ALA 57 2HB ALA 57 -8.336 1.279 -4.866 451 HB3 ALA 57 3HB ALA 57 -9.334 0.587 -6.138 452 H LEU 58 H LEU 58 -7.756 4.049 -4.588 453 HA LEU 58 HA LEU 58 -9.163 5.042 -2.397 454 HB2 LEU 58 2HB LEU 58 -6.765 6.258 -3.834 455 HB3 LEU 58 1HB LEU 58 -7.354 6.895 -2.318 456 HG LEU 58 HG LEU 58 -6.271 4.032 -2.559 457 HD11 LEU 58 1HD1 LEU 58 -4.552 6.423 -1.880 458 HD12 LEU 58 2HD1 LEU 58 -4.359 5.294 -3.228 459 HD13 LEU 58 3HD1 LEU 58 -4.105 4.746 -1.583 460 HD21 LEU 58 1HD2 LEU 58 -6.695 5.703 -0.054 461 HD22 LEU 58 2HD2 LEU 58 -5.717 4.248 -0.098 462 HD23 LEU 58 3HD2 LEU 58 -7.418 4.143 -0.461 463 H ASP 59 H ASP 59 -8.436 6.634 -5.467 464 HA ASP 59 HA ASP 59 -10.154 8.899 -4.848 465 HB2 ASP 59 2HB ASP 59 -8.450 8.303 -7.297 466 HB3 ASP 59 1HB ASP 59 -9.307 9.820 -6.993 467 H ASN 60 H ASN 60 -10.768 5.861 -6.152 468 HA ASN 60 HA ASN 60 -13.204 6.810 -7.539 469 HB2 ASN 60 2HB ASN 60 -11.792 4.936 -8.533 470 HB3 ASN 60 1HB ASN 60 -12.260 3.916 -7.179 471 HD21 ASN 60 1HD2 ASN 60 -13.290 2.418 -8.504 472 HD22 ASN 60 2HD2 ASN 60 -14.765 2.743 -9.348 473 H SER 61 H SER 61 -12.157 5.987 -4.427 474 HA SER 61 HA SER 61 -13.221 6.226 -2.441 475 HB2 SER 61 2HB SER 61 -15.807 6.516 -4.031 476 HB3 SER 61 1HB SER 61 -15.681 6.744 -2.287 477 HG SER 61 HG SER 61 -15.536 8.741 -3.188 478 H GLU 62 H GLU 62 -12.739 3.718 -3.854 479 HA GLU 62 HA GLU 62 -14.814 1.857 -3.091 480 HB2 GLU 62 2HB GLU 62 -12.035 1.450 -4.254 481 HB3 GLU 62 1HB GLU 62 -13.172 0.139 -3.956 482 HG2 GLU 62 2HG GLU 62 -14.793 1.224 -5.510 483 HG3 GLU 62 1HG GLU 62 -13.599 2.472 -5.852 484 H TYR 63 H TYR 63 -13.287 3.445 -0.961 485 HA TYR 63 HA TYR 63 -13.695 3.172 1.211 486 HB2 TYR 63 2HB TYR 63 -14.173 0.276 0.486 487 HB3 TYR 63 1HB TYR 63 -14.157 0.789 2.168 488 HD1 TYR 63 HD1 TYR 63 -16.021 0.955 -1.020 489 HD2 TYR 63 HD2 TYR 63 -15.941 2.221 3.055 490 HE1 TYR 63 HE1 TYR 63 -18.379 1.623 -1.186 491 HE2 TYR 63 HE2 TYR 63 -18.291 2.888 2.892 492 HH TYR 63 HH TYR 63 -20.312 1.978 0.344 493 H LEU 64 H LEU 64 -12.691 2.605 3.139 494 HA LEU 64 HA LEU 64 -9.790 2.560 2.769 495 HB2 LEU 64 2HB LEU 64 -11.502 3.592 5.032 496 HB3 LEU 64 1HB LEU 64 -10.007 2.863 5.523 497 HG LEU 64 HG LEU 64 -9.785 5.235 5.549 498 HD11 LEU 64 1HD1 LEU 64 -7.821 3.824 4.756 499 HD12 LEU 64 2HD1 LEU 64 -7.753 5.559 4.531 500 HD13 LEU 64 3HD1 LEU 64 -8.099 4.529 3.152 501 HD21 LEU 64 1HD2 LEU 64 -9.938 6.767 3.691 502 HD22 LEU 64 2HD2 LEU 64 -11.482 5.990 3.951 503 HD23 LEU 64 3HD2 LEU 64 -10.453 5.494 2.598 504 HA PRO 65 HA PRO 65 -10.653 -1.411 5.688 505 HB2 PRO 65 2HB PRO 65 -13.425 -1.925 4.580 506 HB3 PRO 65 1HB PRO 65 -12.750 -2.324 6.176 507 HG2 PRO 65 2HG PRO 65 -14.406 -0.280 5.932 508 HG3 PRO 65 1HG PRO 65 -12.973 -0.146 6.979 509 HD2 PRO 65 2HD PRO 65 -13.420 0.984 4.230 510 HD3 PRO 65 1HD PRO 65 -12.591 1.704 5.632 511 H LYS 66 H LYS 66 -12.168 -0.939 2.465 512 HA LYS 66 HA LYS 66 -11.693 -3.578 1.531 513 HB2 LYS 66 2HB LYS 66 -13.459 -2.186 0.568 514 HB3 LYS 66 1HB LYS 66 -12.270 -1.040 -0.035 515 HG2 LYS 66 2HG LYS 66 -13.019 -2.394 -1.877 516 HG3 LYS 66 1HG LYS 66 -11.347 -2.837 -1.520 517 HD2 LYS 66 2HD LYS 66 -12.123 -4.864 -0.338 518 HD3 LYS 66 1HD LYS 66 -13.805 -4.407 -0.622 519 HE2 LYS 66 2HE LYS 66 -13.387 -4.570 -3.086 520 HE3 LYS 66 1HE LYS 66 -11.745 -5.121 -2.740 521 HZ1 LYS 66 1HZ LYS 66 -12.697 -7.030 -1.577 522 HZ2 LYS 66 2HZ LYS 66 -13.195 -6.983 -3.183 523 HZ3 LYS 66 3HZ LYS 66 -14.249 -6.515 -1.953 524 H ILE 67 H ILE 67 -9.888 -0.512 1.221 525 HA ILE 67 HA ILE 67 -7.864 -1.669 -0.512 526 HB ILE 67 HB ILE 67 -8.087 1.072 0.794 527 HG12 ILE 67 2HG1 ILE 67 -8.544 0.166 -2.083 528 HG13 ILE 67 1HG1 ILE 67 -9.829 0.391 -0.910 529 HG21 ILE 67 1HG2 ILE 67 -6.110 0.189 -1.350 530 HG22 ILE 67 2HG2 ILE 67 -5.697 0.529 0.331 531 HG23 ILE 67 3HG2 ILE 67 -6.295 1.819 -0.705 532 HD11 ILE 67 1HD1 ILE 67 -8.006 2.563 -1.914 533 HD12 ILE 67 2HD1 ILE 67 -9.344 2.738 -0.772 534 HD13 ILE 67 3HD1 ILE 67 -9.666 2.254 -2.432 535 H ILE 68 H ILE 68 -8.171 -1.124 2.955 536 HA ILE 68 HA ILE 68 -5.419 -1.650 3.603 537 HB ILE 68 HB ILE 68 -7.954 -1.658 5.278 538 HG12 ILE 68 2HG1 ILE 68 -5.475 0.124 5.477 539 HG13 ILE 68 1HG1 ILE 68 -6.890 0.533 4.514 540 HG21 ILE 68 1HG2 ILE 68 -5.167 -2.386 6.241 541 HG22 ILE 68 2HG2 ILE 68 -6.609 -3.396 6.292 542 HG23 ILE 68 3HG2 ILE 68 -6.505 -1.961 7.312 543 HD11 ILE 68 1HD1 ILE 68 -6.906 0.102 7.487 544 HD12 ILE 68 2HD1 ILE 68 -8.257 0.617 6.474 545 HD13 ILE 68 3HD1 ILE 68 -6.853 1.662 6.664 546 H LEU 69 H LEU 69 -8.375 -3.617 3.450 547 HA LEU 69 HA LEU 69 -7.240 -6.146 3.830 548 HB2 LEU 69 2HB LEU 69 -9.702 -5.127 2.458 549 HB3 LEU 69 1HB LEU 69 -9.213 -6.737 2.029 550 HG LEU 69 HG LEU 69 -10.975 -6.754 3.799 551 HD11 LEU 69 1HD1 LEU 69 -8.350 -7.829 4.884 552 HD12 LEU 69 2HD1 LEU 69 -9.481 -8.686 3.824 553 HD13 LEU 69 3HD1 LEU 69 -9.964 -8.253 5.454 554 HD21 LEU 69 1HD2 LEU 69 -9.003 -5.283 5.588 555 HD22 LEU 69 2HD2 LEU 69 -10.482 -6.066 6.146 556 HD23 LEU 69 3HD2 LEU 69 -10.582 -4.704 5.041 557 H ASN 70 H ASN 70 -7.528 -4.115 0.900 558 HA ASN 70 HA ASN 70 -6.663 -6.008 -0.997 559 HB2 ASN 70 2HB ASN 70 -7.793 -4.036 -1.794 560 HB3 ASN 70 1HB ASN 70 -6.633 -2.957 -1.048 561 HD21 ASN 70 1HD2 ASN 70 -4.678 -2.532 -2.118 562 HD22 ASN 70 2HD2 ASN 70 -4.379 -3.006 -3.753 563 H LEU 71 H LEU 71 -4.727 -3.662 0.949 564 HA LEU 71 HA LEU 71 -2.247 -4.422 -0.357 565 HB2 LEU 71 2HB LEU 71 -2.577 -2.869 2.242 566 HB3 LEU 71 1HB LEU 71 -1.118 -2.981 1.273 567 HG LEU 71 HG LEU 71 -3.657 -1.447 0.577 568 HD11 LEU 71 1HD1 LEU 71 -2.212 -0.377 2.260 569 HD12 LEU 71 2HD1 LEU 71 -2.256 0.540 0.760 570 HD13 LEU 71 3HD1 LEU 71 -0.845 -0.451 1.145 571 HD21 LEU 71 1HD2 LEU 71 -2.337 -0.574 -1.400 572 HD22 LEU 71 2HD2 LEU 71 -2.905 -2.225 -1.552 573 HD23 LEU 71 3HD2 LEU 71 -1.206 -1.905 -1.163 574 H ARG 72 H ARG 72 -3.977 -5.309 2.605 575 HA ARG 72 HA ARG 72 -1.796 -6.953 3.578 576 HB2 ARG 72 2HB ARG 72 -3.369 -5.967 5.188 577 HB3 ARG 72 1HB ARG 72 -4.713 -6.868 4.498 578 HG2 ARG 72 2HG ARG 72 -3.749 -8.982 5.273 579 HG3 ARG 72 1HG ARG 72 -2.300 -8.144 5.834 580 HD2 ARG 72 2HD ARG 72 -3.750 -8.661 7.722 581 HD3 ARG 72 1HD ARG 72 -3.664 -6.921 7.486 582 HE ARG 72 HE ARG 72 -5.890 -6.874 6.872 583 HH11 ARG 72 1HH1 ARG 72 -4.903 -10.207 7.438 584 HH12 ARG 72 2HH1 ARG 72 -6.530 -10.797 7.494 585 HH21 ARG 72 1HH2 ARG 72 -7.993 -7.667 6.956 586 HH22 ARG 72 2HH2 ARG 72 -8.274 -9.359 7.220 587 H LYS 73 H LYS 73 -4.336 -7.432 1.237 588 HA LYS 73 HA LYS 73 -4.068 -10.352 1.236 589 HB2 LYS 73 2HB LYS 73 -5.773 -8.489 -0.480 590 HB3 LYS 73 1HB LYS 73 -5.685 -10.233 -0.741 591 HG2 LYS 73 2HG LYS 73 -6.594 -10.661 1.488 592 HG3 LYS 73 1HG LYS 73 -6.572 -8.940 1.852 593 HD2 LYS 73 2HD LYS 73 -8.843 -9.540 1.354 594 HD3 LYS 73 1HD LYS 73 -8.243 -8.587 -0.007 595 HE2 LYS 73 2HE LYS 73 -7.848 -10.681 -1.273 596 HE3 LYS 73 1HE LYS 73 -8.460 -11.613 0.097 597 HZ1 LYS 73 1HZ LYS 73 -10.602 -10.570 -0.171 598 HZ2 LYS 73 2HZ LYS 73 -10.132 -11.280 -1.632 599 HZ3 LYS 73 3HZ LYS 73 -10.027 -9.605 -1.431 600 H ALA 74 H ALA 74 -2.838 -7.557 -0.467 601 HA ALA 74 HA ALA 74 -1.747 -9.183 -2.656 602 HB1 ALA 74 1HB ALA 74 -2.739 -7.046 -3.266 603 HB2 ALA 74 2HB ALA 74 -1.011 -7.016 -3.620 604 HB3 ALA 74 3HB ALA 74 -1.638 -6.178 -2.202 605 H LEU 75 H LEU 75 -0.563 -7.624 0.314 606 HA LEU 75 HA LEU 75 2.222 -8.006 -0.586 607 HB2 LEU 75 2HB LEU 75 1.396 -6.498 1.922 608 HB3 LEU 75 1HB LEU 75 2.973 -6.508 1.162 609 HG LEU 75 HG LEU 75 0.477 -5.046 0.242 610 HD11 LEU 75 1HD1 LEU 75 1.850 -3.035 0.447 611 HD12 LEU 75 2HD1 LEU 75 3.196 -4.010 1.042 612 HD13 LEU 75 3HD1 LEU 75 1.698 -3.909 1.967 613 HD21 LEU 75 1HD2 LEU 75 1.386 -5.855 -1.835 614 HD22 LEU 75 2HD2 LEU 75 3.024 -5.382 -1.370 615 HD23 LEU 75 3HD2 LEU 75 1.800 -4.152 -1.681 616 H THR 76 H THR 76 -0.024 -9.224 1.867 617 HA THR 76 HA THR 76 1.924 -10.414 3.526 618 HB THR 76 HB THR 76 -1.009 -11.123 3.187 619 HG1 THR 76 HG1 THR 76 0.533 -9.512 4.845 620 HG21 THR 76 1HG2 THR 76 -0.851 -12.414 5.299 621 HG22 THR 76 2HG2 THR 76 0.907 -12.247 5.273 622 HG23 THR 76 3HG2 THR 76 0.091 -13.176 4.013 623 HA PRO 77 HA PRO 77 1.514 -14.580 0.979 624 HB2 PRO 77 2HB PRO 77 0.770 -13.675 -1.780 625 HB3 PRO 77 1HB PRO 77 0.195 -15.081 -0.858 626 HG2 PRO 77 2HG PRO 77 -1.406 -12.989 -1.233 627 HG3 PRO 77 1HG PRO 77 -1.386 -13.850 0.327 628 HD2 PRO 77 2HD PRO 77 -0.025 -11.248 -0.403 629 HD3 PRO 77 1HD PRO 77 -0.986 -11.657 1.024 630 H LEU 78 H LEU 78 2.485 -11.588 -0.698 631 HA LEU 78 HA LEU 78 4.801 -12.718 -1.951 632 HB2 LEU 78 2HB LEU 78 4.416 -9.752 -1.332 633 HB3 LEU 78 1HB LEU 78 5.548 -10.440 -2.480 634 HG LEU 78 HG LEU 78 2.506 -10.369 -2.778 635 HD11 LEU 78 1HD1 LEU 78 3.558 -8.172 -3.188 636 HD12 LEU 78 2HD1 LEU 78 2.836 -8.845 -4.635 637 HD13 LEU 78 3HD1 LEU 78 4.587 -8.893 -4.428 638 HD21 LEU 78 1HD2 LEU 78 3.202 -12.404 -3.849 639 HD22 LEU 78 2HD2 LEU 78 4.533 -11.597 -4.682 640 HD23 LEU 78 3HD2 LEU 78 2.864 -11.222 -5.103 641 H ALA 79 H ALA 79 4.199 -11.233 1.168 642 HA ALA 79 HA ALA 79 6.893 -11.002 2.061 643 HB1 ALA 79 1HB ALA 79 4.364 -11.392 3.702 644 HB2 ALA 79 2HB ALA 79 5.033 -9.841 3.197 645 HB3 ALA 79 3HB ALA 79 5.931 -10.854 4.328 646 H ILE 80 H ILE 80 4.436 -13.544 2.342 647 HA ILE 80 HA ILE 80 5.957 -15.396 3.879 648 HB ILE 80 HB ILE 80 3.580 -15.926 2.024 649 HG12 ILE 80 2HG1 ILE 80 3.559 -15.526 5.066 650 HG13 ILE 80 1HG1 ILE 80 3.114 -14.294 3.897 651 HG21 ILE 80 1HG2 ILE 80 3.233 -18.027 3.334 652 HG22 ILE 80 2HG2 ILE 80 4.752 -17.732 4.185 653 HG23 ILE 80 3HG2 ILE 80 4.760 -18.027 2.447 654 HD11 ILE 80 1HD1 ILE 80 1.260 -15.671 3.119 655 HD12 ILE 80 2HD1 ILE 80 1.153 -15.330 4.845 656 HD13 ILE 80 3HD1 ILE 80 1.686 -16.919 4.294 657 H ASN 81 H ASN 81 5.623 -14.824 0.409 658 HA ASN 81 HA ASN 81 7.281 -17.101 -0.343 659 HB2 ASN 81 2HB ASN 81 5.309 -16.191 -1.737 660 HB3 ASN 81 1HB ASN 81 6.360 -14.847 -2.182 661 HD21 ASN 81 1HD2 ASN 81 6.118 -15.618 -4.383 662 HD22 ASN 81 2HD2 ASN 81 7.055 -16.941 -4.963 663 H ARG 82 H ARG 82 7.803 -13.898 0.724 664 HA ARG 82 HA ARG 82 9.696 -12.814 1.295 665 HB2 ARG 82 2HB ARG 82 11.178 -15.354 0.443 666 HB3 ARG 82 1HB ARG 82 11.881 -14.043 1.383 667 HG2 ARG 82 2HG ARG 82 10.381 -14.561 3.271 668 HG3 ARG 82 1HG ARG 82 9.599 -15.831 2.328 669 HD2 ARG 82 2HD ARG 82 11.764 -17.064 2.225 670 HD3 ARG 82 1HD ARG 82 12.509 -15.817 3.238 671 HE ARG 82 HE ARG 82 10.356 -16.625 4.701 672 HH11 ARG 82 1HH1 ARG 82 13.060 -18.384 3.267 673 HH12 ARG 82 2HH1 ARG 82 13.045 -19.626 4.479 674 HH21 ARG 82 1HH2 ARG 82 10.358 -18.270 6.286 675 HH22 ARG 82 2HH2 ARG 82 11.518 -19.559 6.182 676 H THR 83 H THR 83 8.771 -11.835 -0.920 677 HA THR 83 HA THR 83 11.190 -11.178 -2.486 678 HB THR 83 HB THR 83 9.855 -12.924 -3.751 679 HG1 THR 83 HG1 THR 83 10.119 -10.358 -4.999 680 HG21 THR 83 1HG2 THR 83 7.818 -10.691 -4.027 681 HG22 THR 83 2HG2 THR 83 7.596 -12.202 -3.146 682 HG23 THR 83 3HG2 THR 83 7.795 -12.224 -4.897 683 H LEU 84 H LEU 84 8.740 -10.000 -0.602 684 HA LEU 84 HA LEU 84 8.094 -7.570 -1.954 685 HB2 LEU 84 2HB LEU 84 6.778 -8.487 -0.014 686 HB3 LEU 84 1HB LEU 84 8.136 -8.150 1.039 687 HG LEU 84 HG LEU 84 7.763 -5.629 0.227 688 HD11 LEU 84 1HD1 LEU 84 5.350 -5.101 -0.098 689 HD12 LEU 84 2HD1 LEU 84 5.039 -6.824 -0.300 690 HD13 LEU 84 3HD1 LEU 84 6.070 -5.973 -1.445 691 HD21 LEU 84 1HD2 LEU 84 7.585 -6.349 2.546 692 HD22 LEU 84 2HD2 LEU 84 5.950 -6.953 2.264 693 HD23 LEU 84 3HD2 LEU 84 6.285 -5.222 2.150 694 H ASN 85 H ASN 85 9.171 -5.603 -1.937 695 HA ASN 85 HA ASN 85 12.022 -5.708 -1.672 696 HB2 ASN 85 2HB ASN 85 10.892 -4.144 -3.336 697 HB3 ASN 85 1HB ASN 85 10.416 -3.103 -1.978 698 HD21 ASN 85 1HD2 ASN 85 11.656 -1.399 -2.808 699 HD22 ASN 85 2HD2 ASN 85 13.380 -1.374 -2.763 700 H HIS 86 H HIS 86 9.479 -4.572 0.454 701 HA HIS 86 HA HIS 86 9.422 -4.583 2.717 702 HB2 HIS 86 2HB HIS 86 10.993 -6.488 2.603 703 HB3 HIS 86 1HB HIS 86 12.359 -5.392 2.499 704 HD1 HIS 86 HD1 HIS 86 13.239 -4.382 4.676 705 HD2 HIS 86 HD2 HIS 86 9.872 -6.764 5.189 706 HE1 HIS 86 HE1 HIS 86 13.076 -4.799 7.148 707 HE2 HIS 86 HE2 HIS 86 11.022 -6.215 7.426 708 H ASP 87 H ASP 87 10.894 -2.311 0.884 709 HA ASP 87 HA ASP 87 12.249 -0.793 2.957 710 HB2 ASP 87 2HB ASP 87 13.165 -0.813 0.647 711 HB3 ASP 87 1HB ASP 87 11.725 -0.019 0.037 712 H LEU 88 H LEU 88 9.006 -1.166 2.114 713 HA LEU 88 HA LEU 88 8.354 1.145 3.843 714 HB2 LEU 88 2HB LEU 88 6.000 1.086 2.829 715 HB3 LEU 88 1HB LEU 88 7.250 1.886 1.911 716 HG LEU 88 HG LEU 88 6.669 -0.994 1.170 717 HD11 LEU 88 1HD1 LEU 88 4.406 -0.077 1.446 718 HD12 LEU 88 2HD1 LEU 88 4.773 -0.358 -0.252 719 HD13 LEU 88 3HD1 LEU 88 4.810 1.282 0.396 720 HD21 LEU 88 1HD2 LEU 88 7.154 -0.172 -1.078 721 HD22 LEU 88 2HD2 LEU 88 8.445 0.286 0.027 722 HD23 LEU 88 3HD2 LEU 88 7.255 1.488 -0.484 723 H SER 89 H SER 89 9.204 -1.333 4.694 724 HA SER 89 HA SER 89 7.230 -3.143 5.460 725 HB2 SER 89 2HB SER 89 8.777 -3.710 7.366 726 HB3 SER 89 1HB SER 89 9.570 -3.664 5.792 727 HG SER 89 HG SER 89 10.397 -2.442 7.866 728 H GLU 90 H GLU 90 8.065 0.014 6.797 729 HA GLU 90 HA GLU 90 6.608 -0.154 9.208 730 HB2 GLU 90 2HB GLU 90 8.366 1.557 8.818 731 HB3 GLU 90 1HB GLU 90 7.362 2.340 7.603 732 HG2 GLU 90 2HG GLU 90 5.662 2.825 9.382 733 HG3 GLU 90 1HG GLU 90 6.745 2.123 10.583 734 H LEU 91 H LEU 91 5.597 0.565 5.898 735 HA LEU 91 HA LEU 91 3.009 1.672 6.494 736 HB2 LEU 91 2HB LEU 91 4.354 1.859 4.300 737 HB3 LEU 91 1HB LEU 91 3.864 0.223 3.933 738 HG LEU 91 HG LEU 91 2.589 2.046 2.720 739 HD11 LEU 91 1HD1 LEU 91 1.592 -0.181 2.872 740 HD12 LEU 91 2HD1 LEU 91 0.363 1.078 2.882 741 HD13 LEU 91 3HD1 LEU 91 0.797 0.260 4.382 742 HD21 LEU 91 1HD2 LEU 91 1.373 2.659 5.431 743 HD22 LEU 91 2HD2 LEU 91 0.845 3.323 3.887 744 HD23 LEU 91 3HD2 LEU 91 2.448 3.702 4.506 745 H TYR 92 H TYR 92 4.297 -1.562 5.894 746 HA TYR 92 HA TYR 92 1.853 -3.014 5.913 747 HB2 TYR 92 2HB TYR 92 3.976 -3.876 4.946 748 HB3 TYR 92 1HB TYR 92 4.671 -3.948 6.558 749 HD1 TYR 92 HD1 TYR 92 1.463 -5.148 4.986 750 HD2 TYR 92 HD2 TYR 92 4.894 -6.151 7.322 751 HE1 TYR 92 HE1 TYR 92 0.664 -7.453 5.161 752 HE2 TYR 92 HE2 TYR 92 4.095 -8.460 7.512 753 HH TYR 92 HH TYR 92 2.055 -9.736 7.324 754 H LYS 93 H LYS 93 4.159 -2.010 8.402 755 HA LYS 93 HA LYS 93 2.934 -3.365 10.631 756 HB2 LYS 93 2HB LYS 93 5.354 -2.703 10.580 757 HB3 LYS 93 1HB LYS 93 4.886 -1.007 10.587 758 HG2 LYS 93 2HG LYS 93 3.890 -1.279 12.841 759 HG3 LYS 93 1HG LYS 93 4.311 -2.995 12.815 760 HD2 LYS 93 2HD LYS 93 5.953 -1.807 14.146 761 HD3 LYS 93 1HD LYS 93 6.728 -2.376 12.664 762 HE2 LYS 93 2HE LYS 93 7.446 -0.099 13.197 763 HE3 LYS 93 1HE LYS 93 6.515 -0.093 11.698 764 HZ1 LYS 93 1HZ LYS 93 5.506 0.684 14.388 765 HZ2 LYS 93 2HZ LYS 93 4.593 0.677 12.972 766 HZ3 LYS 93 3HZ LYS 93 5.893 1.736 13.131 767 H PHE 94 H PHE 94 2.561 -0.323 9.011 768 HA PHE 94 HA PHE 94 1.311 1.236 11.007 769 HB2 PHE 94 2HB PHE 94 2.469 2.112 8.981 770 HB3 PHE 94 1HB PHE 94 1.208 1.460 7.967 771 HD1 PHE 94 HD1 PHE 94 -0.929 2.637 7.722 772 HD2 PHE 94 HD2 PHE 94 2.100 4.104 10.359 773 HE1 PHE 94 HE1 PHE 94 -2.060 4.815 7.823 774 HE2 PHE 94 HE2 PHE 94 0.953 6.271 10.461 775 HZ PHE 94 HZ PHE 94 -1.124 6.627 9.193 776 H ILE 95 H ILE 95 -0.072 -0.618 8.227 777 HA ILE 95 HA ILE 95 -2.786 0.006 8.979 778 HB ILE 95 HB ILE 95 -3.566 -1.278 7.155 779 HG12 ILE 95 2HG1 ILE 95 -0.900 -2.769 7.141 780 HG13 ILE 95 1HG1 ILE 95 -2.523 -3.413 7.318 781 HG21 ILE 95 1HG2 ILE 95 -2.300 -0.367 5.245 782 HG22 ILE 95 2HG2 ILE 95 -0.952 0.009 6.322 783 HG23 ILE 95 3HG2 ILE 95 -2.504 0.809 6.543 784 HD11 ILE 95 1HD1 ILE 95 -1.380 -2.251 4.782 785 HD12 ILE 95 2HD1 ILE 95 -3.007 -2.907 4.992 786 HD13 ILE 95 3HD1 ILE 95 -1.605 -3.960 5.158 787 H THR 96 H THR 96 -0.659 -2.099 10.426 788 HA THR 96 HA THR 96 -2.809 -3.827 11.516 789 HB THR 96 HB THR 96 -0.784 -5.262 12.344 790 HG1 THR 96 HG1 THR 96 0.521 -3.949 10.185 791 HG21 THR 96 1HG2 THR 96 -2.300 -6.029 10.545 792 HG22 THR 96 2HG2 THR 96 -0.627 -6.541 10.282 793 HG23 THR 96 3HG2 THR 96 -1.288 -5.191 9.364 794 H SER 97 H SER 97 -0.763 -1.188 12.229 795 HA SER 97 HA SER 97 -1.333 -1.163 15.027 796 HB2 SER 97 2HB SER 97 0.386 -2.970 15.034 797 HB3 SER 97 1HB SER 97 1.543 -1.884 14.260 798 HG SER 97 HG SER 97 1.706 -2.044 16.598 799 H SER 98 H SER 98 -1.919 0.903 14.719 800 HA SER 98 HA SER 98 -0.055 3.000 14.971 801 HB2 SER 98 2HB SER 98 0.268 2.752 12.513 802 HB3 SER 98 1HB SER 98 -1.470 2.843 12.251 803 HG SER 98 HG SER 98 0.338 4.831 12.493 804 H LYS 99 H LYS 99 -3.158 2.338 13.480 805 HA LYS 99 HA LYS 99 -4.759 3.246 15.684 806 HB2 LYS 99 2HB LYS 99 -4.376 5.427 14.576 807 HB3 LYS 99 1HB LYS 99 -4.827 4.744 13.015 808 HG2 LYS 99 2HG LYS 99 -7.121 4.355 13.869 809 HG3 LYS 99 1HG LYS 99 -6.665 5.101 15.402 810 HD2 LYS 99 2HD LYS 99 -6.232 7.245 14.214 811 HD3 LYS 99 1HD LYS 99 -6.691 6.478 12.685 812 HE2 LYS 99 2HE LYS 99 -8.552 7.798 13.625 813 HE3 LYS 99 1HE LYS 99 -8.963 6.083 13.549 814 HZ1 LYS 99 1HZ LYS 99 -9.667 6.819 15.641 815 HZ2 LYS 99 2HZ LYS 99 -8.252 7.692 15.934 816 HZ3 LYS 99 3HZ LYS 99 -8.224 6.002 15.961 817 H ALA 100 H ALA 100 -4.778 2.658 12.166 818 HA ALA 100 HA ALA 100 -6.861 0.725 12.126 819 HB1 ALA 100 1HB ALA 100 -4.508 1.072 10.227 820 HB2 ALA 100 2HB ALA 100 -6.082 1.860 10.074 821 HB3 ALA 100 3HB ALA 100 -5.953 0.110 9.915 822 H SER 101 H SER 101 -6.716 -1.537 12.442 823 HA SER 101 HA SER 101 -4.188 -2.594 13.572 824 HB2 SER 101 2HB SER 101 -6.885 -2.719 15.006 825 HB3 SER 101 1HB SER 101 -5.346 -3.331 15.611 826 HG SER 101 HG SER 101 -5.889 -0.609 15.008 827 H ASN 102 H ASN 102 -3.898 -4.726 13.378 828 HA ASN 102 HA ASN 102 -3.976 -6.780 12.509 829 HB2 ASN 102 2HB ASN 102 -5.740 -8.229 13.700 830 HB3 ASN 102 1HB ASN 102 -4.548 -7.377 14.660 831 HD21 ASN 102 1HD2 ASN 102 -5.736 -7.405 16.533 832 HD22 ASN 102 2HD2 ASN 102 -7.202 -6.515 16.754 833 H LYS 103 H LYS 103 -7.527 -6.621 12.541 834 HA LYS 103 HA LYS 103 -7.810 -8.013 10.090 835 HB2 LYS 103 2HB LYS 103 -9.853 -6.293 11.555 836 HB3 LYS 103 1HB LYS 103 -10.216 -7.490 10.328 837 HG2 LYS 103 2HG LYS 103 -8.868 -8.295 12.901 838 HG3 LYS 103 1HG LYS 103 -10.606 -8.039 12.848 839 HD2 LYS 103 2HD LYS 103 -10.584 -10.301 12.452 840 HD3 LYS 103 1HD LYS 103 -10.434 -9.755 10.787 841 HE2 LYS 103 2HE LYS 103 -8.004 -10.436 12.464 842 HE3 LYS 103 1HE LYS 103 -8.904 -11.667 11.587 843 HZ1 LYS 103 1HZ LYS 103 -7.047 -10.958 10.300 844 HZ2 LYS 103 2HZ LYS 103 -7.503 -9.345 10.401 845 HZ3 LYS 103 3HZ LYS 103 -8.450 -10.432 9.536 846 H ASN 104 H ASN 104 -8.414 -4.631 10.989 847 HA ASN 104 HA ASN 104 -7.382 -3.471 8.666 848 HB2 ASN 104 2HB ASN 104 -9.514 -2.538 7.692 849 HB3 ASN 104 1HB ASN 104 -9.323 -4.271 7.468 850 HD21 ASN 104 1HD2 ASN 104 -11.731 -2.708 7.354 851 HD22 ASN 104 2HD2 ASN 104 -12.820 -3.398 8.497 852 H LEU 105 H LEU 105 -10.075 -2.944 10.937 853 HA LEU 105 HA LEU 105 -8.961 -1.203 12.711 854 HB2 LEU 105 2HB LEU 105 -9.442 1.034 12.078 855 HB3 LEU 105 1HB LEU 105 -8.728 0.326 10.647 856 HG LEU 105 HG LEU 105 -11.690 0.777 11.037 857 HD11 LEU 105 1HD1 LEU 105 -11.539 2.646 9.487 858 HD12 LEU 105 2HD1 LEU 105 -9.794 2.436 9.367 859 HD13 LEU 105 3HD1 LEU 105 -10.522 2.920 10.900 860 HD21 LEU 105 1HD2 LEU 105 -11.924 0.343 8.612 861 HD22 LEU 105 2HD2 LEU 105 -11.333 -1.064 9.491 862 HD23 LEU 105 3HD2 LEU 105 -10.215 -0.092 8.544 863 H GLY 106 H GLY 106 -11.668 -2.546 11.108 864 HA2 GLY 106 2HA GLY 106 -13.524 -1.749 13.290 865 HA3 GLY 106 1HA GLY 106 -14.010 -2.085 11.638 866 H GLY 107 H GLY 107 -12.079 -4.460 11.621 867 HA2 GLY 107 2HA GLY 107 -12.050 -6.686 12.304 868 HA3 GLY 107 1HA GLY 107 -13.401 -6.384 13.390 869 H GLY 108 H GLY 108 -14.661 -8.100 12.702 870 HA2 GLY 108 2HA GLY 108 -16.569 -8.760 11.544 871 HA3 GLY 108 1HA GLY 108 -16.163 -7.674 10.225 872 H LEU 109 H LEU 109 -17.030 -10.393 10.004 873 HA LEU 109 HA LEU 109 -14.719 -11.986 9.219 874 HB2 LEU 109 2HB LEU 109 -17.715 -12.556 9.112 875 HB3 LEU 109 1HB LEU 109 -16.494 -13.676 8.540 876 HG LEU 109 HG LEU 109 -17.168 -14.452 10.698 877 HD11 LEU 109 1HD1 LEU 109 -15.112 -14.415 12.008 878 HD12 LEU 109 2HD1 LEU 109 -14.510 -13.051 11.063 879 HD13 LEU 109 3HD1 LEU 109 -14.770 -14.616 10.288 880 HD21 LEU 109 1HD2 LEU 109 -18.247 -12.432 11.568 881 HD22 LEU 109 2HD2 LEU 109 -16.676 -11.675 11.832 882 HD23 LEU 109 3HD2 LEU 109 -17.136 -13.103 12.764 883 H ILE 110 H ILE 110 -13.797 -11.666 7.322 884 HA ILE 110 HA ILE 110 -15.117 -10.264 5.139 885 HB ILE 110 HB ILE 110 -12.966 -10.250 4.009 886 HG12 ILE 110 2HG1 ILE 110 -11.935 -12.184 6.161 887 HG13 ILE 110 1HG1 ILE 110 -12.241 -12.590 4.481 888 HG21 ILE 110 1HG2 ILE 110 -11.475 -9.187 5.737 889 HG22 ILE 110 2HG2 ILE 110 -12.607 -9.706 6.984 890 HG23 ILE 110 3HG2 ILE 110 -13.117 -8.557 5.743 891 HD11 ILE 110 1HD1 ILE 110 -9.863 -12.328 4.995 892 HD12 ILE 110 2HD1 ILE 110 -10.127 -10.638 5.412 893 HD13 ILE 110 3HD1 ILE 110 -10.394 -11.197 3.755 894 H MET 111 H MET 111 -14.411 -13.552 5.992 895 HA MET 111 HA MET 111 -14.893 -15.559 5.124 896 HB2 MET 111 2HB MET 111 -17.110 -14.520 4.542 897 HB3 MET 111 1HB MET 111 -16.478 -14.089 2.962 898 HG2 MET 111 2HG MET 111 -16.227 -16.474 2.395 899 HG3 MET 111 1HG MET 111 -16.793 -16.921 4.003 900 HE1 MET 111 1HE MET 111 -19.202 -14.817 4.482 901 HE2 MET 111 2HE MET 111 -19.314 -16.540 4.855 902 HE3 MET 111 3HE MET 111 -20.563 -15.762 3.882 903 H SER 112 H SER 112 -14.231 -17.061 3.452 904 HA SER 112 HA SER 112 -13.032 -17.938 1.771 905 HB2 SER 112 2HB SER 112 -12.866 -15.126 0.614 906 HB3 SER 112 1HB SER 112 -12.456 -16.616 -0.243 907 HG SER 112 HG SER 112 -14.814 -17.109 0.580 908 H TRP 113 H TRP 113 -11.346 -14.762 2.144 909 HA TRP 113 HA TRP 113 -8.770 -16.061 2.054 910 HB2 TRP 113 2HB TRP 113 -9.324 -13.788 1.007 911 HB3 TRP 113 1HB TRP 113 -9.347 -13.117 2.634 912 HD1 TRP 113 HD1 TRP 113 -6.894 -14.761 0.135 913 HE1 TRP 113 HE1 TRP 113 -4.521 -13.956 0.674 914 HE3 TRP 113 HE3 TRP 113 -7.850 -12.117 4.389 915 HZ2 TRP 113 HZ2 TRP 113 -3.203 -12.424 2.615 916 HZ3 TRP 113 HZ3 TRP 113 -5.981 -11.011 5.527 917 HH2 TRP 113 HH2 TRP 113 -3.701 -11.159 4.666 918 H GLY 114 H GLY 114 -8.770 -17.380 3.893 919 HA2 GLY 114 2HA GLY 114 -8.305 -16.010 6.494 920 HA3 GLY 114 1HA GLY 114 -9.249 -17.492 6.368 921 H ARG 115 H ARG 115 -6.294 -16.641 4.610 922 HA ARG 115 HA ARG 115 -5.000 -19.118 5.241 923 HB2 ARG 115 2HB ARG 115 -3.086 -18.250 3.974 924 HB3 ARG 115 1HB ARG 115 -4.582 -17.983 3.092 925 HG2 ARG 115 2HG ARG 115 -4.567 -15.608 3.752 926 HG3 ARG 115 1HG ARG 115 -3.093 -15.869 4.689 927 HD2 ARG 115 2HD ARG 115 -3.371 -16.176 1.673 928 HD3 ARG 115 1HD ARG 115 -2.597 -14.831 2.514 929 HE ARG 115 HE ARG 115 -1.111 -16.795 3.437 930 HH11 ARG 115 1HH1 ARG 115 -2.226 -16.383 0.117 931 HH12 ARG 115 2HH1 ARG 115 -0.863 -17.200 -0.572 932 HH21 ARG 115 1HH2 ARG 115 0.680 -17.874 2.504 933 HH22 ARG 115 2HH2 ARG 115 0.775 -18.041 0.777 934 H LEU 116 H LEU 116 -4.957 -15.947 6.606 935 HA LEU 116 HA LEU 116 -3.263 -16.829 8.859 936 HB2 LEU 116 2HB LEU 116 -2.014 -15.353 7.160 937 HB3 LEU 116 1HB LEU 116 -3.115 -14.057 7.554 938 HG LEU 116 HG LEU 116 -1.210 -15.327 9.588 939 HD11 LEU 116 1HD1 LEU 116 0.229 -13.345 9.269 940 HD12 LEU 116 2HD1 LEU 116 -0.806 -12.792 7.950 941 HD13 LEU 116 3HD1 LEU 116 0.100 -14.300 7.793 942 HD21 LEU 116 1HD2 LEU 116 -1.607 -13.285 10.920 943 HD22 LEU 116 2HD2 LEU 116 -3.093 -14.195 10.666 944 HD23 LEU 116 3HD2 LEU 116 -2.788 -12.732 9.727 945 H PHE 117 H PHE 117 -5.017 -17.098 10.206 946 HA PHE 117 HA PHE 117 -6.827 -14.803 10.679 947 HB2 PHE 117 2HB PHE 117 -7.921 -16.497 9.160 948 HB3 PHE 117 1HB PHE 117 -7.729 -17.716 10.415 949 HD1 PHE 117 HD1 PHE 117 -9.321 -17.859 12.241 950 HD2 PHE 117 HD2 PHE 117 -9.434 -14.528 9.558 951 HE1 PHE 117 HE1 PHE 117 -11.491 -17.166 13.185 952 HE2 PHE 117 HE2 PHE 117 -11.593 -13.841 10.505 953 HZ PHE 117 HZ PHE 117 -12.624 -15.152 12.320 Start of MODEL 2 1 H1 MET 1 1H MET 1 -33.839 11.246 1.330 2 H2 MET 1 2H MET 1 -33.146 12.661 0.737 3 H3 MET 1 3H MET 1 -32.570 11.166 0.214 4 HA MET 1 HA MET 1 -33.931 12.206 -1.465 5 HB2 MET 1 2HB MET 1 -35.190 9.744 -0.171 6 HB3 MET 1 1HB MET 1 -35.544 10.288 -1.808 7 HG2 MET 1 2HG MET 1 -33.183 9.924 -2.425 8 HG3 MET 1 1HG MET 1 -32.850 9.359 -0.785 9 HE1 MET 1 1HE MET 1 -31.809 7.073 -1.834 10 HE2 MET 1 2HE MET 1 -32.164 7.700 -3.446 11 HE3 MET 1 3HE MET 1 -32.691 6.079 -2.993 12 H SER 2 H SER 2 -35.632 13.518 -1.948 13 HA SER 2 HA SER 2 -37.985 13.828 -0.316 14 HB2 SER 2 2HB SER 2 -36.190 15.052 1.020 15 HB3 SER 2 1HB SER 2 -35.983 16.151 -0.345 16 HG SER 2 HG SER 2 -38.232 15.796 1.339 17 H GLY 3 H GLY 3 -39.590 15.017 -1.430 18 HA2 GLY 3 2HA GLY 3 -39.249 15.222 -4.299 19 HA3 GLY 3 1HA GLY 3 -40.719 15.503 -3.385 20 H SER 4 H SER 4 -37.568 16.922 -4.052 21 HA SER 4 HA SER 4 -38.406 19.531 -4.734 22 HB2 SER 4 2HB SER 4 -38.918 19.645 -2.262 23 HB3 SER 4 1HB SER 4 -37.244 19.232 -1.908 24 HG SER 4 HG SER 4 -36.708 21.240 -2.230 25 H HIS 5 H HIS 5 -36.095 20.975 -4.236 26 HA HIS 5 HA HIS 5 -34.023 19.758 -5.718 27 HB2 HIS 5 2HB HIS 5 -32.585 21.660 -4.927 28 HB3 HIS 5 1HB HIS 5 -34.124 22.181 -5.593 29 HD1 HIS 5 HD1 HIS 5 -35.550 23.656 -4.148 30 HD2 HIS 5 HD2 HIS 5 -32.420 21.939 -2.020 31 HE1 HIS 5 HE1 HIS 5 -35.529 24.801 -1.923 32 HE2 HIS 5 HE2 HIS 5 -33.532 23.876 -0.738 33 H HIS 6 H HIS 6 -32.042 18.851 -5.105 34 HA HIS 6 HA HIS 6 -32.242 17.161 -2.741 35 HB2 HIS 6 2HB HIS 6 -30.280 15.968 -3.776 36 HB3 HIS 6 1HB HIS 6 -31.695 16.061 -4.809 37 HD1 HIS 6 HD1 HIS 6 -31.299 16.853 -7.126 38 HD2 HIS 6 HD2 HIS 6 -28.192 17.924 -4.580 39 HE1 HIS 6 HE1 HIS 6 -29.520 17.849 -8.594 40 HE2 HIS 6 HE2 HIS 6 -27.715 18.581 -7.017 41 H HIS 7 H HIS 7 -31.814 19.735 -1.914 42 HA HIS 7 HA HIS 7 -29.186 19.580 -0.589 43 HB2 HIS 7 2HB HIS 7 -30.315 22.042 -1.998 44 HB3 HIS 7 1HB HIS 7 -29.007 22.119 -0.819 45 HD1 HIS 7 HD1 HIS 7 -29.211 22.435 -4.213 46 HD2 HIS 7 HD2 HIS 7 -27.025 19.828 -1.840 47 HE1 HIS 7 HE1 HIS 7 -27.283 21.679 -5.638 48 HE2 HIS 7 HE2 HIS 7 -25.904 20.234 -4.114 49 H HIS 8 H HIS 8 -30.315 18.767 1.157 50 HA HIS 8 HA HIS 8 -32.344 20.306 2.540 51 HB2 HIS 8 2HB HIS 8 -32.253 17.804 2.609 52 HB3 HIS 8 1HB HIS 8 -30.738 17.886 3.500 53 HD1 HIS 8 HD1 HIS 8 -30.940 18.034 6.007 54 HD2 HIS 8 HD2 HIS 8 -34.540 18.857 4.107 55 HE1 HIS 8 HE1 HIS 8 -32.652 18.148 7.827 56 HE2 HIS 8 HE2 HIS 8 -34.808 18.706 6.664 57 H HIS 9 H HIS 9 -28.896 19.687 2.841 58 HA HIS 9 HA HIS 9 -28.528 21.787 4.869 59 HB2 HIS 9 2HB HIS 9 -27.347 19.565 5.086 60 HB3 HIS 9 1HB HIS 9 -26.467 19.910 3.603 61 HD1 HIS 9 HD1 HIS 9 -24.125 20.387 4.314 62 HD2 HIS 9 HD2 HIS 9 -26.865 22.107 6.908 63 HE1 HIS 9 HE1 HIS 9 -22.757 21.634 6.005 64 HE2 HIS 9 HE2 HIS 9 -24.444 22.792 7.463 65 H HIS 10 H HIS 10 -27.584 23.745 4.359 66 HA HIS 10 HA HIS 10 -27.345 24.413 1.509 67 HB2 HIS 10 2HB HIS 10 -27.460 26.169 4.007 68 HB3 HIS 10 1HB HIS 10 -27.254 26.802 2.375 69 HD1 HIS 10 HD1 HIS 10 -29.398 27.667 1.479 70 HD2 HIS 10 HD2 HIS 10 -30.023 24.437 4.023 71 HE1 HIS 10 HE1 HIS 10 -31.888 27.361 1.588 72 HE2 HIS 10 HE2 HIS 10 -32.234 25.367 3.077 73 H SER 11 H SER 11 -25.379 22.823 2.036 74 HA SER 11 HA SER 11 -23.021 24.280 1.380 75 HB2 SER 11 2HB SER 11 -22.896 24.571 3.851 76 HB3 SER 11 1HB SER 11 -23.050 22.837 4.075 77 HG SER 11 HG SER 11 -20.975 23.360 2.434 78 H SER 12 H SER 12 -24.860 22.176 0.468 79 HA SER 12 HA SER 12 -23.071 19.828 0.203 80 HB2 SER 12 2HB SER 12 -25.218 19.393 1.421 81 HB3 SER 12 1HB SER 12 -26.125 19.957 0.019 82 HG SER 12 HG SER 12 -24.250 17.834 -0.146 83 H GLY 13 H GLY 13 -23.043 22.354 -1.395 84 HA2 GLY 13 2HA GLY 13 -24.022 21.704 -4.059 85 HA3 GLY 13 1HA GLY 13 -22.976 23.047 -3.607 86 H ILE 14 H ILE 14 -22.841 19.497 -3.661 87 HA ILE 14 HA ILE 14 -20.383 19.215 -5.033 88 HB ILE 14 HB ILE 14 -19.326 20.151 -3.068 89 HG12 ILE 14 2HG1 ILE 14 -19.052 17.108 -2.958 90 HG13 ILE 14 1HG1 ILE 14 -18.132 18.203 -3.979 91 HG21 ILE 14 1HG2 ILE 14 -19.688 19.335 -0.745 92 HG22 ILE 14 2HG2 ILE 14 -20.958 18.257 -1.333 93 HG23 ILE 14 3HG2 ILE 14 -21.156 20.002 -1.464 94 HD11 ILE 14 1HD1 ILE 14 -17.104 19.184 -1.977 95 HD12 ILE 14 2HD1 ILE 14 -16.809 17.453 -2.119 96 HD13 ILE 14 3HD1 ILE 14 -18.006 18.047 -0.973 97 H GLU 15 H GLU 15 -20.003 17.011 -5.462 98 HA GLU 15 HA GLU 15 -22.294 15.252 -5.051 99 HB2 GLU 15 2HB GLU 15 -21.140 15.634 -7.283 100 HB3 GLU 15 1HB GLU 15 -19.761 14.741 -6.675 101 HG2 GLU 15 2HG GLU 15 -22.528 13.533 -6.852 102 HG3 GLU 15 1HG GLU 15 -21.415 13.505 -8.208 103 H GLY 16 H GLY 16 -18.738 14.694 -4.830 104 HA2 GLY 16 2HA GLY 16 -19.144 12.899 -2.503 105 HA3 GLY 16 1HA GLY 16 -18.374 12.296 -3.965 106 H ARG 17 H ARG 17 -16.552 11.792 -2.699 107 HA ARG 17 HA ARG 17 -14.439 12.011 -1.984 108 HB2 ARG 17 2HB ARG 17 -14.532 14.909 -2.943 109 HB3 ARG 17 1HB ARG 17 -13.083 13.995 -2.537 110 HG2 ARG 17 2HG ARG 17 -13.533 12.445 -4.408 111 HG3 ARG 17 1HG ARG 17 -14.971 13.379 -4.832 112 HD2 ARG 17 2HD ARG 17 -13.184 14.041 -6.305 113 HD3 ARG 17 1HD ARG 17 -13.486 15.378 -5.192 114 HE ARG 17 HE ARG 17 -11.460 13.885 -4.047 115 HH11 ARG 17 1HH1 ARG 17 -11.874 15.658 -7.052 116 HH12 ARG 17 2HH1 ARG 17 -10.186 16.010 -7.215 117 HH21 ARG 17 1HH2 ARG 17 -9.241 14.324 -4.289 118 HH22 ARG 17 2HH2 ARG 17 -8.685 15.255 -5.646 119 H GLY 18 H GLY 18 -13.047 12.974 -0.281 120 HA2 GLY 18 2HA GLY 18 -14.586 13.347 2.115 121 HA3 GLY 18 1HA GLY 18 -12.843 13.246 1.993 122 H ARG 19 H ARG 19 -14.395 15.696 0.082 123 HA ARG 19 HA ARG 19 -13.111 17.837 1.486 124 HB2 ARG 19 2HB ARG 19 -15.150 17.895 -0.784 125 HB3 ARG 19 1HB ARG 19 -14.226 19.282 -0.217 126 HG2 ARG 19 2HG ARG 19 -12.125 18.168 -0.918 127 HG3 ARG 19 1HG ARG 19 -13.058 16.790 -1.509 128 HD2 ARG 19 2HD ARG 19 -14.172 18.236 -3.161 129 HD3 ARG 19 1HD ARG 19 -13.295 19.642 -2.547 130 HE ARG 19 HE ARG 19 -11.390 17.748 -3.266 131 HH11 ARG 19 1HH1 ARG 19 -13.870 19.632 -4.921 132 HH12 ARG 19 2HH1 ARG 19 -13.000 19.674 -6.425 133 HH21 ARG 19 1HH2 ARG 19 -10.245 17.846 -5.248 134 HH22 ARG 19 2HH2 ARG 19 -10.956 18.665 -6.604 135 H MET 20 H MET 20 -16.270 16.385 1.540 136 HA MET 20 HA MET 20 -17.572 18.444 3.124 137 HB2 MET 20 2HB MET 20 -18.372 15.602 2.352 138 HB3 MET 20 1HB MET 20 -19.395 16.665 3.309 139 HG2 MET 20 2HG MET 20 -19.720 18.154 1.505 140 HG3 MET 20 1HG MET 20 -18.400 17.449 0.577 141 HE1 MET 20 1HE MET 20 -18.723 14.410 0.564 142 HE2 MET 20 2HE MET 20 -18.587 15.352 -0.924 143 HE3 MET 20 3HE MET 20 -19.860 14.147 -0.758 144 H LYS 21 H LYS 21 -15.351 15.979 3.754 145 HA LYS 21 HA LYS 21 -14.273 15.304 5.599 146 HB2 LYS 21 2HB LYS 21 -15.755 17.568 7.006 147 HB3 LYS 21 1HB LYS 21 -14.308 16.764 7.602 148 HG2 LYS 21 2HG LYS 21 -14.511 18.474 5.105 149 HG3 LYS 21 1HG LYS 21 -13.754 18.939 6.631 150 HD2 LYS 21 2HD LYS 21 -12.025 17.236 6.336 151 HD3 LYS 21 1HD LYS 21 -12.825 16.639 4.879 152 HE2 LYS 21 2HE LYS 21 -10.951 17.997 4.221 153 HE3 LYS 21 1HE LYS 21 -12.429 18.864 3.810 154 HZ1 LYS 21 1HZ LYS 21 -10.723 19.371 6.187 155 HZ2 LYS 21 2HZ LYS 21 -12.140 20.205 5.799 156 HZ3 LYS 21 3HZ LYS 21 -10.789 20.324 4.797 157 H LYS 22 H LYS 22 -16.963 14.209 4.949 158 HA LYS 22 HA LYS 22 -18.098 13.257 7.442 159 HB2 LYS 22 2HB LYS 22 -18.492 12.208 4.609 160 HB3 LYS 22 1HB LYS 22 -19.490 11.816 6.005 161 HG2 LYS 22 2HG LYS 22 -20.286 14.126 6.128 162 HG3 LYS 22 1HG LYS 22 -19.214 14.588 4.806 163 HD2 LYS 22 2HD LYS 22 -21.458 12.549 4.534 164 HD3 LYS 22 1HD LYS 22 -21.629 14.258 4.149 165 HE2 LYS 22 2HE LYS 22 -21.255 13.180 2.073 166 HE3 LYS 22 1HE LYS 22 -19.722 13.944 2.477 167 HZ1 LYS 22 1HZ LYS 22 -18.874 11.807 3.174 168 HZ2 LYS 22 2HZ LYS 22 -19.468 11.696 1.602 169 HZ3 LYS 22 3HZ LYS 22 -20.365 11.073 2.885 170 H LYS 23 H LYS 23 -15.237 12.623 6.055 171 HA LYS 23 HA LYS 23 -15.036 9.884 7.151 172 HB2 LYS 23 2HB LYS 23 -14.932 10.177 4.526 173 HB3 LYS 23 1HB LYS 23 -13.355 10.893 4.806 174 HG2 LYS 23 2HG LYS 23 -12.682 8.736 4.438 175 HG3 LYS 23 1HG LYS 23 -12.979 8.591 6.165 176 HD2 LYS 23 2HD LYS 23 -14.900 7.787 3.944 177 HD3 LYS 23 1HD LYS 23 -13.897 6.683 4.876 178 HE2 LYS 23 2HE LYS 23 -16.098 8.409 6.065 179 HE3 LYS 23 1HE LYS 23 -16.292 6.722 5.592 180 HZ1 LYS 23 1HZ LYS 23 -14.472 6.194 7.160 181 HZ2 LYS 23 2HZ LYS 23 -15.866 6.787 7.894 182 HZ3 LYS 23 3HZ LYS 23 -14.521 7.791 7.713 183 H GLN 24 H GLN 24 -13.041 9.497 8.269 184 HA GLN 24 HA GLN 24 -11.594 11.746 9.300 185 HB2 GLN 24 2HB GLN 24 -11.233 8.737 9.528 186 HB3 GLN 24 1HB GLN 24 -10.014 9.835 10.166 187 HG2 GLN 24 2HG GLN 24 -11.730 10.887 11.603 188 HG3 GLN 24 1HG GLN 24 -12.926 9.748 10.985 189 HE21 GLN 24 1HE2 GLN 24 -12.910 7.650 11.741 190 HE22 GLN 24 2HE2 GLN 24 -11.936 7.127 13.066 191 H ILE 25 H ILE 25 -9.896 12.737 8.480 192 HA ILE 25 HA ILE 25 -8.914 12.014 5.832 193 HB ILE 25 HB ILE 25 -8.682 14.497 7.588 194 HG12 ILE 25 2HG1 ILE 25 -9.601 15.770 5.727 195 HG13 ILE 25 1HG1 ILE 25 -9.390 14.448 4.604 196 HG21 ILE 25 1HG2 ILE 25 -7.064 15.578 6.042 197 HG22 ILE 25 2HG2 ILE 25 -6.899 14.056 5.167 198 HG23 ILE 25 3HG2 ILE 25 -6.366 14.166 6.845 199 HD11 ILE 25 1HD1 ILE 25 -11.214 13.239 5.749 200 HD12 ILE 25 2HD1 ILE 25 -11.700 14.803 5.113 201 HD13 ILE 25 3HD1 ILE 25 -11.405 14.618 6.836 202 H GLU 26 H GLU 26 -7.797 12.095 9.153 203 HA GLU 26 HA GLU 26 -5.057 12.328 8.837 204 HB2 GLU 26 2HB GLU 26 -6.236 12.589 10.980 205 HB3 GLU 26 1HB GLU 26 -6.617 10.871 11.003 206 HG2 GLU 26 2HG GLU 26 -4.802 11.280 12.534 207 HG3 GLU 26 1HG GLU 26 -4.182 10.362 11.168 208 H PHE 27 H PHE 27 -6.987 9.303 9.001 209 HA PHE 27 HA PHE 27 -4.839 7.471 9.004 210 HB2 PHE 27 2HB PHE 27 -7.327 6.987 9.549 211 HB3 PHE 27 1HB PHE 27 -7.598 6.869 7.816 212 HD1 PHE 27 HD1 PHE 27 -6.316 5.048 6.496 213 HD2 PHE 27 HD2 PHE 27 -6.412 5.166 10.774 214 HE1 PHE 27 HE1 PHE 27 -5.529 2.717 6.597 215 HE2 PHE 27 HE2 PHE 27 -5.646 2.834 10.840 216 HZ PHE 27 HZ PHE 27 -5.198 1.618 8.750 217 H GLU 28 H GLU 28 -6.736 8.901 6.418 218 HA GLU 28 HA GLU 28 -5.608 7.428 4.247 219 HB2 GLU 28 2HB GLU 28 -7.340 9.893 4.433 220 HB3 GLU 28 1HB GLU 28 -6.669 9.394 2.885 221 HG2 GLU 28 2HG GLU 28 -7.835 7.289 2.969 222 HG3 GLU 28 1HG GLU 28 -8.372 7.601 4.615 223 H ASN 29 H ASN 29 -4.946 10.438 5.836 224 HA ASN 29 HA ASN 29 -3.181 11.619 3.952 225 HB2 ASN 29 2HB ASN 29 -4.258 13.048 5.623 226 HB3 ASN 29 1HB ASN 29 -3.545 12.136 6.956 227 HD21 ASN 29 1HD2 ASN 29 -1.487 12.614 7.600 228 HD22 ASN 29 2HD2 ASN 29 -0.554 13.923 6.965 229 H GLU 30 H GLU 30 -2.727 9.507 6.750 230 HA GLU 30 HA GLU 30 0.164 9.683 6.766 231 HB2 GLU 30 2HB GLU 30 -1.809 7.889 8.226 232 HB3 GLU 30 1HB GLU 30 -0.067 7.696 8.395 233 HG2 GLU 30 2HG GLU 30 0.170 9.868 9.412 234 HG3 GLU 30 1HG GLU 30 -1.496 10.307 9.054 235 H LEU 31 H LEU 31 -2.226 7.250 5.701 236 HA LEU 31 HA LEU 31 -0.360 5.306 4.741 237 HB2 LEU 31 2HB LEU 31 -2.710 4.660 5.099 238 HB3 LEU 31 1HB LEU 31 -3.234 5.704 3.793 239 HG LEU 31 HG LEU 31 -1.281 3.470 3.123 240 HD11 LEU 31 1HD1 LEU 31 -2.947 2.230 4.414 241 HD12 LEU 31 2HD1 LEU 31 -3.041 1.831 2.711 242 HD13 LEU 31 3HD1 LEU 31 -4.249 2.900 3.421 243 HD21 LEU 31 1HD2 LEU 31 -3.607 4.602 1.514 244 HD22 LEU 31 2HD2 LEU 31 -2.472 3.366 0.980 245 HD23 LEU 31 3HD2 LEU 31 -1.895 4.994 1.303 246 H ARG 32 H ARG 32 -1.847 8.112 3.222 247 HA ARG 32 HA ARG 32 -0.879 7.488 0.592 248 HB2 ARG 32 2HB ARG 32 -3.059 8.812 1.382 249 HB3 ARG 32 1HB ARG 32 -1.992 10.201 1.263 250 HG2 ARG 32 2HG ARG 32 -1.634 9.764 -1.105 251 HG3 ARG 32 1HG ARG 32 -2.537 8.256 -1.002 252 HD2 ARG 32 2HD ARG 32 -4.569 9.591 -0.368 253 HD3 ARG 32 1HD ARG 32 -3.635 11.067 -0.657 254 HE ARG 32 HE ARG 32 -3.298 9.805 -2.969 255 HH11 ARG 32 1HH1 ARG 32 -6.274 10.340 -1.164 256 HH12 ARG 32 2HH1 ARG 32 -7.271 10.345 -2.584 257 HH21 ARG 32 1HH2 ARG 32 -4.591 9.743 -4.795 258 HH22 ARG 32 2HH2 ARG 32 -6.305 10.001 -4.661 259 H SER 33 H SER 33 0.259 9.270 3.343 260 HA SER 33 HA SER 33 2.154 11.001 2.126 261 HB2 SER 33 2HB SER 33 1.318 11.303 4.447 262 HB3 SER 33 1HB SER 33 2.153 9.834 4.948 263 HG SER 33 HG SER 33 3.576 11.913 3.700 264 H MET 34 H MET 34 2.603 7.798 3.735 265 HA MET 34 HA MET 34 5.351 7.574 2.972 266 HB2 MET 34 2HB MET 34 3.404 5.406 3.895 267 HB3 MET 34 1HB MET 34 5.102 5.111 3.575 268 HG2 MET 34 2HG MET 34 5.100 5.313 5.874 269 HG3 MET 34 1HG MET 34 5.503 6.959 5.421 270 HE1 MET 34 1HE MET 34 2.996 4.634 7.283 271 HE2 MET 34 2HE MET 34 2.234 4.781 5.705 272 HE3 MET 34 3HE MET 34 1.474 5.506 7.122 273 H LEU 35 H LEU 35 2.302 6.530 1.499 274 HA LEU 35 HA LEU 35 3.470 4.949 -0.567 275 HB2 LEU 35 2HB LEU 35 0.959 4.991 0.128 276 HB3 LEU 35 1HB LEU 35 0.816 6.407 -0.877 277 HG LEU 35 HG LEU 35 1.702 3.733 -2.039 278 HD11 LEU 35 1HD1 LEU 35 -0.639 3.388 -2.765 279 HD12 LEU 35 2HD1 LEU 35 -1.139 4.719 -1.720 280 HD13 LEU 35 3HD1 LEU 35 -0.415 3.264 -1.026 281 HD21 LEU 35 1HD2 LEU 35 0.850 4.671 -4.140 282 HD22 LEU 35 2HD2 LEU 35 2.105 5.694 -3.453 283 HD23 LEU 35 3HD2 LEU 35 0.414 6.165 -3.304 284 H ALA 36 H ALA 36 2.773 8.406 -0.319 285 HA ALA 36 HA ALA 36 3.253 9.264 -2.919 286 HB1 ALA 36 1HB ALA 36 3.981 10.716 -0.360 287 HB2 ALA 36 2HB ALA 36 2.411 10.748 -1.151 288 HB3 ALA 36 3HB ALA 36 3.805 11.453 -1.959 289 H THR 37 H THR 37 5.579 8.979 -0.225 290 HA THR 37 HA THR 37 7.936 9.637 -1.587 291 HB THR 37 HB THR 37 7.657 7.699 0.765 292 HG1 THR 37 HG1 THR 37 8.334 10.125 1.564 293 HG21 THR 37 1HG2 THR 37 9.992 9.494 -0.021 294 HG22 THR 37 2HG2 THR 37 9.951 7.737 -0.208 295 HG23 THR 37 3HG2 THR 37 9.910 8.458 1.403 296 H ALA 38 H ALA 38 6.247 6.558 -1.186 297 HA ALA 38 HA ALA 38 8.254 4.862 -2.235 298 HB1 ALA 38 1HB ALA 38 6.483 3.143 -2.376 299 HB2 ALA 38 2HB ALA 38 5.267 4.375 -2.048 300 HB3 ALA 38 3HB ALA 38 6.472 3.987 -0.828 301 H LEU 39 H LEU 39 5.625 6.677 -3.887 302 HA LEU 39 HA LEU 39 6.212 5.490 -6.484 303 HB2 LEU 39 2HB LEU 39 4.677 8.074 -5.967 304 HB3 LEU 39 1HB LEU 39 4.709 7.167 -7.466 305 HG LEU 39 HG LEU 39 3.260 6.452 -4.898 306 HD11 LEU 39 1HD1 LEU 39 2.121 8.082 -6.261 307 HD12 LEU 39 2HD1 LEU 39 1.247 6.553 -6.283 308 HD13 LEU 39 3HD1 LEU 39 2.226 7.027 -7.675 309 HD21 LEU 39 1HD2 LEU 39 3.617 4.655 -7.326 310 HD22 LEU 39 2HD2 LEU 39 2.361 4.438 -6.112 311 HD23 LEU 39 3HD2 LEU 39 4.043 4.300 -5.641 312 H GLU 40 H GLU 40 7.223 8.361 -4.711 313 HA GLU 40 HA GLU 40 8.552 9.710 -6.841 314 HB2 GLU 40 2HB GLU 40 8.991 9.870 -3.819 315 HB3 GLU 40 1HB GLU 40 9.791 10.927 -4.983 316 HG2 GLU 40 2HG GLU 40 7.637 11.821 -5.717 317 HG3 GLU 40 1HG GLU 40 6.784 10.717 -4.641 318 H LYS 41 H LYS 41 9.480 7.071 -4.746 319 HA LYS 41 HA LYS 41 12.230 6.998 -5.844 320 HB2 LYS 41 2HB LYS 41 10.947 5.328 -3.633 321 HB3 LYS 41 1HB LYS 41 12.644 5.303 -4.096 322 HG2 LYS 41 2HG LYS 41 11.155 7.650 -2.907 323 HG3 LYS 41 1HG LYS 41 12.280 6.588 -2.042 324 HD2 LYS 41 2HD LYS 41 14.175 7.365 -3.417 325 HD3 LYS 41 1HD LYS 41 13.110 8.266 -4.480 326 HE2 LYS 41 2HE LYS 41 12.715 9.944 -2.662 327 HE3 LYS 41 1HE LYS 41 13.772 9.021 -1.578 328 HZ1 LYS 41 1HZ LYS 41 15.593 9.407 -3.111 329 HZ2 LYS 41 2HZ LYS 41 14.909 10.865 -2.601 330 HZ3 LYS 41 3HZ LYS 41 14.574 10.273 -4.145 331 H ASP 42 H ASP 42 13.050 4.860 -6.584 332 HA ASP 42 HA ASP 42 11.259 3.434 -8.323 333 HB2 ASP 42 2HB ASP 42 14.118 2.759 -7.459 334 HB3 ASP 42 1HB ASP 42 13.226 1.885 -8.701 335 H ILE 43 H ILE 43 10.081 1.629 -7.871 336 HA ILE 43 HA ILE 43 10.648 0.059 -5.434 337 HB ILE 43 HB ILE 43 8.116 -0.144 -5.081 338 HG12 ILE 43 2HG1 ILE 43 8.014 2.465 -6.673 339 HG13 ILE 43 1HG1 ILE 43 7.387 0.920 -7.240 340 HG21 ILE 43 1HG2 ILE 43 9.389 2.522 -4.446 341 HG22 ILE 43 2HG2 ILE 43 9.566 1.031 -3.521 342 HG23 ILE 43 3HG2 ILE 43 7.991 1.812 -3.630 343 HD11 ILE 43 1HD1 ILE 43 5.604 2.351 -6.407 344 HD12 ILE 43 2HD1 ILE 43 6.385 2.457 -4.832 345 HD13 ILE 43 3HD1 ILE 43 5.753 0.905 -5.405 346 H SER 44 H SER 44 9.163 -1.948 -5.433 347 HA SER 44 HA SER 44 10.188 -3.474 -7.659 348 HB2 SER 44 2HB SER 44 9.294 -5.424 -6.300 349 HB3 SER 44 1HB SER 44 10.406 -4.378 -5.417 350 HG SER 44 HG SER 44 7.986 -3.400 -5.009 351 H GLN 45 H GLN 45 9.008 -4.558 -9.251 352 HA GLN 45 HA GLN 45 6.935 -3.308 -10.467 353 HB2 GLN 45 2HB GLN 45 8.382 -4.973 -11.552 354 HB3 GLN 45 1HB GLN 45 7.617 -6.269 -10.647 355 HG2 GLN 45 2HG GLN 45 5.485 -5.834 -11.832 356 HG3 GLN 45 1HG GLN 45 6.261 -4.542 -12.744 357 HE21 GLN 45 1HE2 GLN 45 6.088 -8.019 -12.286 358 HE22 GLN 45 2HE2 GLN 45 6.844 -8.443 -13.776 359 H GLU 46 H GLU 46 6.538 -5.814 -7.996 360 HA GLU 46 HA GLU 46 3.719 -6.271 -8.656 361 HB2 GLU 46 2HB GLU 46 5.495 -7.628 -6.588 362 HB3 GLU 46 1HB GLU 46 3.831 -8.075 -6.949 363 HG2 GLU 46 2HG GLU 46 6.229 -8.342 -8.778 364 HG3 GLU 46 1HG GLU 46 5.274 -9.630 -8.064 365 H GLU 47 H GLU 47 5.610 -4.749 -6.098 366 HA GLU 47 HA GLU 47 3.243 -4.302 -4.447 367 HB2 GLU 47 2HB GLU 47 4.922 -4.686 -2.939 368 HB3 GLU 47 1HB GLU 47 6.185 -4.123 -3.998 369 HG2 GLU 47 2HG GLU 47 4.405 -2.064 -2.762 370 HG3 GLU 47 1HG GLU 47 5.561 -2.897 -1.716 371 H ARG 48 H ARG 48 5.315 -2.572 -6.677 372 HA ARG 48 HA ARG 48 4.149 -0.045 -6.620 373 HB2 ARG 48 2HB ARG 48 6.205 -0.629 -7.943 374 HB3 ARG 48 1HB ARG 48 5.181 -1.504 -9.076 375 HG2 ARG 48 2HG ARG 48 3.995 0.594 -9.620 376 HG3 ARG 48 1HG ARG 48 5.028 1.465 -8.492 377 HD2 ARG 48 2HD ARG 48 7.000 0.978 -9.898 378 HD3 ARG 48 1HD ARG 48 5.984 0.043 -11.009 379 HE ARG 48 HE ARG 48 4.826 2.558 -10.795 380 HH11 ARG 48 1HH1 ARG 48 7.889 1.290 -11.999 381 HH12 ARG 48 2HH1 ARG 48 8.094 2.564 -13.163 382 HH21 ARG 48 1HH2 ARG 48 5.102 4.224 -12.283 383 HH22 ARG 48 2HH2 ARG 48 6.495 4.246 -13.322 384 H ASN 49 H ASN 49 3.268 -3.015 -8.335 385 HA ASN 49 HA ASN 49 0.933 -2.160 -9.623 386 HB2 ASN 49 2HB ASN 49 2.201 -4.380 -9.909 387 HB3 ASN 49 1HB ASN 49 1.374 -4.953 -8.471 388 HD21 ASN 49 1HD2 ASN 49 1.295 -5.956 -11.224 389 HD22 ASN 49 2HD2 ASN 49 -0.372 -5.954 -11.676 390 H ALA 50 H ALA 50 1.353 -3.592 -6.349 391 HA ALA 50 HA ALA 50 -1.380 -3.755 -5.653 392 HB1 ALA 50 1HB ALA 50 -0.621 -4.194 -3.391 393 HB2 ALA 50 2HB ALA 50 0.977 -3.541 -3.760 394 HB3 ALA 50 3HB ALA 50 0.430 -5.029 -4.536 395 H LEU 51 H LEU 51 1.005 -1.159 -5.032 396 HA LEU 51 HA LEU 51 -0.821 0.393 -3.415 397 HB2 LEU 51 2HB LEU 51 1.808 1.301 -4.656 398 HB3 LEU 51 1HB LEU 51 0.920 2.132 -3.399 399 HG LEU 51 HG LEU 51 2.490 -0.467 -3.121 400 HD11 LEU 51 1HD1 LEU 51 2.892 2.193 -1.730 401 HD12 LEU 51 2HD1 LEU 51 3.812 1.656 -3.124 402 HD13 LEU 51 3HD1 LEU 51 3.923 0.770 -1.610 403 HD21 LEU 51 1HD2 LEU 51 1.952 -0.333 -0.659 404 HD22 LEU 51 2HD2 LEU 51 0.611 -0.820 -1.674 405 HD23 LEU 51 3HD2 LEU 51 0.688 0.835 -1.050 406 H ASN 52 H ASN 52 0.153 0.371 -6.815 407 HA ASN 52 HA ASN 52 -1.198 2.748 -7.611 408 HB2 ASN 52 2HB ASN 52 0.524 1.442 -8.980 409 HB3 ASN 52 1HB ASN 52 -0.748 0.297 -9.365 410 HD21 ASN 52 1HD2 ASN 52 0.838 2.015 -11.113 411 HD22 ASN 52 2HD2 ASN 52 -0.291 2.963 -12.014 412 H ILE 53 H ILE 53 -2.196 -0.640 -7.337 413 HA ILE 53 HA ILE 53 -4.864 -0.487 -8.204 414 HB ILE 53 HB ILE 53 -3.517 -2.337 -6.204 415 HG12 ILE 53 2HG1 ILE 53 -4.581 -2.893 -9.021 416 HG13 ILE 53 1HG1 ILE 53 -2.896 -2.596 -8.625 417 HG21 ILE 53 1HG2 ILE 53 -6.413 -2.511 -7.123 418 HG22 ILE 53 2HG2 ILE 53 -5.845 -2.222 -5.480 419 HG23 ILE 53 3HG2 ILE 53 -5.556 -3.783 -6.245 420 HD11 ILE 53 1HD1 ILE 53 -3.332 -4.958 -8.935 421 HD12 ILE 53 2HD1 ILE 53 -4.536 -4.934 -7.649 422 HD13 ILE 53 3HD1 ILE 53 -2.837 -4.628 -7.276 423 H ALA 54 H ALA 54 -3.366 0.011 -5.031 424 HA ALA 54 HA ALA 54 -5.626 0.343 -3.427 425 HB1 ALA 54 1HB ALA 54 -3.345 -0.031 -2.574 426 HB2 ALA 54 2HB ALA 54 -4.109 1.363 -1.804 427 HB3 ALA 54 3HB ALA 54 -2.891 1.604 -3.060 428 H GLU 55 H GLU 55 -3.675 2.883 -5.116 429 HA GLU 55 HA GLU 55 -5.332 5.020 -4.075 430 HB2 GLU 55 2HB GLU 55 -2.945 4.974 -5.891 431 HB3 GLU 55 1HB GLU 55 -4.021 6.356 -6.035 432 HG2 GLU 55 2HG GLU 55 -3.740 6.610 -3.468 433 HG3 GLU 55 1HG GLU 55 -2.372 5.518 -3.633 434 H LYS 56 H LYS 56 -5.154 3.288 -7.192 435 HA LYS 56 HA LYS 56 -7.056 4.879 -8.554 436 HB2 LYS 56 2HB LYS 56 -6.325 1.993 -9.042 437 HB3 LYS 56 1HB LYS 56 -7.438 2.872 -10.058 438 HG2 LYS 56 2HG LYS 56 -4.489 3.476 -9.670 439 HG3 LYS 56 1HG LYS 56 -5.253 2.785 -11.100 440 HD2 LYS 56 2HD LYS 56 -6.549 4.907 -11.391 441 HD3 LYS 56 1HD LYS 56 -5.685 5.595 -10.012 442 HE2 LYS 56 2HE LYS 56 -4.440 4.680 -12.631 443 HE3 LYS 56 1HE LYS 56 -4.700 6.348 -12.132 444 HZ1 LYS 56 1HZ LYS 56 -2.908 4.409 -10.778 445 HZ2 LYS 56 2HZ LYS 56 -3.150 6.015 -10.319 446 HZ3 LYS 56 3HZ LYS 56 -2.416 5.661 -11.798 447 H ALA 57 H ALA 57 -7.338 2.424 -6.137 448 HA ALA 57 HA ALA 57 -10.177 1.954 -6.462 449 HB1 ALA 57 1HB ALA 57 -8.349 1.055 -4.219 450 HB2 ALA 57 2HB ALA 57 -8.611 0.168 -5.720 451 HB3 ALA 57 3HB ALA 57 -9.954 0.429 -4.617 452 H LEU 58 H LEU 58 -8.066 3.955 -4.348 453 HA LEU 58 HA LEU 58 -10.100 4.959 -2.625 454 HB2 LEU 58 2HB LEU 58 -7.813 6.649 -3.731 455 HB3 LEU 58 1HB LEU 58 -8.719 6.961 -2.262 456 HG LEU 58 HG LEU 58 -6.473 4.924 -2.729 457 HD11 LEU 58 1HD1 LEU 58 -5.227 5.973 -0.970 458 HD12 LEU 58 2HD1 LEU 58 -6.563 7.026 -0.527 459 HD13 LEU 58 3HD1 LEU 58 -5.740 7.240 -2.076 460 HD21 LEU 58 1HD2 LEU 58 -7.962 3.581 -1.392 461 HD22 LEU 58 2HD2 LEU 58 -8.205 4.887 -0.221 462 HD23 LEU 58 3HD2 LEU 58 -6.635 4.113 -0.379 463 H ASP 59 H ASP 59 -9.066 5.911 -5.864 464 HA ASP 59 HA ASP 59 -10.840 8.121 -6.180 465 HB2 ASP 59 2HB ASP 59 -8.774 7.622 -7.588 466 HB3 ASP 59 1HB ASP 59 -9.713 6.374 -8.398 467 H ASN 60 H ASN 60 -11.119 4.640 -7.028 468 HA ASN 60 HA ASN 60 -13.783 4.882 -8.101 469 HB2 ASN 60 2HB ASN 60 -12.241 3.014 -8.789 470 HB3 ASN 60 1HB ASN 60 -12.361 2.319 -7.176 471 HD21 ASN 60 1HD2 ASN 60 -13.332 0.409 -7.778 472 HD22 ASN 60 2HD2 ASN 60 -14.903 0.294 -8.484 473 H SER 61 H SER 61 -12.503 4.784 -4.910 474 HA SER 61 HA SER 61 -13.326 4.571 -2.840 475 HB2 SER 61 2HB SER 61 -14.268 6.728 -3.544 476 HB3 SER 61 1HB SER 61 -15.721 5.922 -4.132 477 HG SER 61 HG SER 61 -16.214 5.326 -2.029 478 H GLU 62 H GLU 62 -13.378 2.115 -3.456 479 HA GLU 62 HA GLU 62 -15.910 0.814 -3.585 480 HB2 GLU 62 2HB GLU 62 -13.172 -0.279 -2.791 481 HB3 GLU 62 1HB GLU 62 -14.614 -1.280 -2.938 482 HG2 GLU 62 2HG GLU 62 -14.769 -0.703 -5.323 483 HG3 GLU 62 1HG GLU 62 -13.373 0.360 -5.175 484 H TYR 63 H TYR 63 -13.662 0.900 -0.770 485 HA TYR 63 HA TYR 63 -15.300 1.689 1.248 486 HB2 TYR 63 2HB TYR 63 -15.442 -1.308 0.823 487 HB3 TYR 63 1HB TYR 63 -15.379 -0.716 2.469 488 HD1 TYR 63 HD1 TYR 63 -17.612 -1.998 0.235 489 HD2 TYR 63 HD2 TYR 63 -17.190 1.466 2.703 490 HE1 TYR 63 HE1 TYR 63 -20.053 -1.743 0.287 491 HE2 TYR 63 HE2 TYR 63 -19.636 1.723 2.748 492 HH TYR 63 HH TYR 63 -21.607 1.056 1.486 493 H LEU 64 H LEU 64 -14.253 1.031 3.417 494 HA LEU 64 HA LEU 64 -11.370 1.494 2.997 495 HB2 LEU 64 2HB LEU 64 -13.156 2.127 5.297 496 HB3 LEU 64 1HB LEU 64 -11.595 1.531 5.775 497 HG LEU 64 HG LEU 64 -11.761 3.987 5.826 498 HD11 LEU 64 1HD1 LEU 64 -9.596 2.728 5.416 499 HD12 LEU 64 2HD1 LEU 64 -9.632 4.445 5.116 500 HD13 LEU 64 3HD1 LEU 64 -9.672 3.335 3.757 501 HD21 LEU 64 1HD2 LEU 64 -13.239 4.508 3.927 502 HD22 LEU 64 2HD2 LEU 64 -11.972 4.050 2.788 503 HD23 LEU 64 3HD2 LEU 64 -11.746 5.416 3.860 504 HA PRO 65 HA PRO 65 -11.215 -2.765 5.427 505 HB2 PRO 65 2HB PRO 65 -13.977 -3.795 4.782 506 HB3 PRO 65 1HB PRO 65 -13.001 -4.019 6.250 507 HG2 PRO 65 2HG PRO 65 -15.080 -2.370 6.276 508 HG3 PRO 65 1HG PRO 65 -13.576 -1.934 7.125 509 HD2 PRO 65 2HD PRO 65 -14.577 -0.980 4.445 510 HD3 PRO 65 1HD PRO 65 -13.826 -0.053 5.766 511 H LYS 66 H LYS 66 -12.828 -1.950 2.397 512 HA LYS 66 HA LYS 66 -12.477 -4.546 1.165 513 HB2 LYS 66 2HB LYS 66 -14.395 -3.119 0.541 514 HB3 LYS 66 1HB LYS 66 -13.321 -1.857 -0.034 515 HG2 LYS 66 2HG LYS 66 -14.296 -3.070 -1.906 516 HG3 LYS 66 1HG LYS 66 -12.553 -3.343 -1.857 517 HD2 LYS 66 2HD LYS 66 -12.862 -5.566 -0.931 518 HD3 LYS 66 1HD LYS 66 -14.596 -5.296 -0.724 519 HE2 LYS 66 2HE LYS 66 -14.067 -6.724 -2.694 520 HE3 LYS 66 1HE LYS 66 -14.917 -5.246 -3.142 521 HZ1 LYS 66 1HZ LYS 66 -12.909 -4.302 -3.943 522 HZ2 LYS 66 2HZ LYS 66 -13.017 -5.854 -4.602 523 HZ3 LYS 66 3HZ LYS 66 -11.968 -5.553 -3.310 524 H ILE 67 H ILE 67 -10.901 -1.343 1.047 525 HA ILE 67 HA ILE 67 -8.941 -2.159 -0.917 526 HB ILE 67 HB ILE 67 -9.027 0.316 0.859 527 HG12 ILE 67 2HG1 ILE 67 -10.053 -0.270 -1.939 528 HG13 ILE 67 1HG1 ILE 67 -10.974 0.269 -0.555 529 HG21 ILE 67 1HG2 ILE 67 -6.719 -0.109 0.065 530 HG22 ILE 67 2HG2 ILE 67 -7.399 1.314 -0.724 531 HG23 ILE 67 3HG2 ILE 67 -7.303 -0.215 -1.597 532 HD11 ILE 67 1HD1 ILE 67 -8.915 1.942 -1.960 533 HD12 ILE 67 2HD1 ILE 67 -10.013 2.435 -0.671 534 HD13 ILE 67 3HD1 ILE 67 -10.647 1.997 -2.252 535 H ILE 68 H ILE 68 -9.009 -1.855 2.635 536 HA ILE 68 HA ILE 68 -6.179 -2.187 2.989 537 HB ILE 68 HB ILE 68 -8.478 -2.377 4.971 538 HG12 ILE 68 2HG1 ILE 68 -6.273 -0.291 4.561 539 HG13 ILE 68 1HG1 ILE 68 -7.962 -0.092 4.122 540 HG21 ILE 68 1HG2 ILE 68 -6.813 -2.464 6.814 541 HG22 ILE 68 2HG2 ILE 68 -5.513 -2.613 5.631 542 HG23 ILE 68 3HG2 ILE 68 -6.712 -3.897 5.787 543 HD11 ILE 68 1HD1 ILE 68 -8.517 -0.301 6.555 544 HD12 ILE 68 2HD1 ILE 68 -7.590 1.123 6.095 545 HD13 ILE 68 3HD1 ILE 68 -6.783 -0.232 6.873 546 H LEU 69 H LEU 69 -8.974 -4.397 3.120 547 HA LEU 69 HA LEU 69 -7.630 -6.800 3.687 548 HB2 LEU 69 2HB LEU 69 -10.105 -6.500 3.706 549 HB3 LEU 69 1HB LEU 69 -10.081 -6.349 1.958 550 HG LEU 69 HG LEU 69 -9.327 -8.724 1.721 551 HD11 LEU 69 1HD1 LEU 69 -9.616 -9.069 4.723 552 HD12 LEU 69 2HD1 LEU 69 -8.084 -8.963 3.845 553 HD13 LEU 69 3HD1 LEU 69 -9.184 -10.296 3.529 554 HD21 LEU 69 1HD2 LEU 69 -11.366 -9.932 2.372 555 HD22 LEU 69 2HD2 LEU 69 -11.777 -8.390 1.643 556 HD23 LEU 69 3HD2 LEU 69 -11.878 -8.594 3.399 557 H ASN 70 H ASN 70 -8.303 -5.166 0.564 558 HA ASN 70 HA ASN 70 -7.305 -7.265 -1.093 559 HB2 ASN 70 2HB ASN 70 -8.929 -5.548 -1.916 560 HB3 ASN 70 1HB ASN 70 -7.670 -4.317 -1.837 561 HD21 ASN 70 1HD2 ASN 70 -7.332 -3.854 -3.959 562 HD22 ASN 70 2HD2 ASN 70 -6.949 -5.006 -5.186 563 H LEU 71 H LEU 71 -5.782 -4.375 0.309 564 HA LEU 71 HA LEU 71 -3.437 -4.428 -1.367 565 HB2 LEU 71 2HB LEU 71 -4.575 -2.445 0.072 566 HB3 LEU 71 1HB LEU 71 -3.486 -3.008 1.318 567 HG LEU 71 HG LEU 71 -2.694 -1.860 -1.394 568 HD11 LEU 71 1HD1 LEU 71 -3.508 -0.161 0.158 569 HD12 LEU 71 2HD1 LEU 71 -1.772 0.013 -0.084 570 HD13 LEU 71 3HD1 LEU 71 -2.386 -0.715 1.405 571 HD21 LEU 71 1HD2 LEU 71 -1.040 -3.550 -0.771 572 HD22 LEU 71 2HD2 LEU 71 -0.870 -2.830 0.829 573 HD23 LEU 71 3HD2 LEU 71 -0.358 -1.938 -0.604 574 H ARG 72 H ARG 72 -4.333 -5.384 1.901 575 HA ARG 72 HA ARG 72 -1.793 -6.509 2.650 576 HB2 ARG 72 2HB ARG 72 -3.406 -5.602 4.326 577 HB3 ARG 72 1HB ARG 72 -4.547 -6.880 3.939 578 HG2 ARG 72 2HG ARG 72 -2.727 -8.520 4.710 579 HG3 ARG 72 1HG ARG 72 -1.893 -7.107 5.370 580 HD2 ARG 72 2HD ARG 72 -3.293 -8.244 7.069 581 HD3 ARG 72 1HD ARG 72 -3.836 -6.585 6.776 582 HE ARG 72 HE ARG 72 -5.331 -8.102 5.073 583 HH11 ARG 72 1HH1 ARG 72 -4.878 -8.182 8.572 584 HH12 ARG 72 2HH1 ARG 72 -6.465 -8.816 8.873 585 HH21 ARG 72 1HH2 ARG 72 -7.364 -8.942 5.470 586 HH22 ARG 72 2HH2 ARG 72 -7.881 -9.248 7.100 587 H LYS 73 H LYS 73 -4.532 -7.673 0.791 588 HA LYS 73 HA LYS 73 -3.869 -10.499 1.025 589 HB2 LYS 73 2HB LYS 73 -6.215 -9.788 0.620 590 HB3 LYS 73 1HB LYS 73 -5.749 -9.033 -0.896 591 HG2 LYS 73 2HG LYS 73 -6.847 -11.150 -1.332 592 HG3 LYS 73 1HG LYS 73 -5.149 -11.260 -1.807 593 HD2 LYS 73 2HD LYS 73 -4.632 -12.488 0.265 594 HD3 LYS 73 1HD LYS 73 -6.309 -12.331 0.800 595 HE2 LYS 73 2HE LYS 73 -7.055 -13.693 -1.118 596 HE3 LYS 73 1HE LYS 73 -5.385 -13.823 -1.682 597 HZ1 LYS 73 1HZ LYS 73 -6.112 -15.782 -0.445 598 HZ2 LYS 73 2HZ LYS 73 -6.378 -14.837 0.924 599 HZ3 LYS 73 3HZ LYS 73 -4.815 -15.014 0.318 600 H ALA 74 H ALA 74 -3.107 -7.766 -1.035 601 HA ALA 74 HA ALA 74 -1.821 -9.339 -3.091 602 HB1 ALA 74 1HB ALA 74 -1.783 -6.342 -2.577 603 HB2 ALA 74 2HB ALA 74 -2.862 -7.202 -3.667 604 HB3 ALA 74 3HB ALA 74 -1.134 -7.147 -4.009 605 H LEU 75 H LEU 75 -0.843 -7.810 -0.026 606 HA LEU 75 HA LEU 75 1.974 -8.227 -0.731 607 HB2 LEU 75 2HB LEU 75 0.892 -6.676 1.636 608 HB3 LEU 75 1HB LEU 75 2.580 -6.820 1.204 609 HG LEU 75 HG LEU 75 0.430 -5.180 -0.166 610 HD11 LEU 75 1HD1 LEU 75 1.507 -4.088 1.686 611 HD12 LEU 75 2HD1 LEU 75 2.020 -3.322 0.191 612 HD13 LEU 75 3HD1 LEU 75 3.110 -4.431 1.030 613 HD21 LEU 75 1HD2 LEU 75 3.138 -5.857 -1.379 614 HD22 LEU 75 2HD2 LEU 75 2.131 -4.502 -1.884 615 HD23 LEU 75 3HD2 LEU 75 1.534 -6.136 -2.081 616 H THR 76 H THR 76 -0.298 -9.490 1.727 617 HA THR 76 HA THR 76 1.697 -10.468 3.460 618 HB THR 76 HB THR 76 -1.149 -11.527 3.199 619 HG1 THR 76 HG1 THR 76 -1.613 -9.863 4.354 620 HG21 THR 76 1HG2 THR 76 0.256 -13.234 4.313 621 HG22 THR 76 2HG2 THR 76 -0.818 -12.460 5.476 622 HG23 THR 76 3HG2 THR 76 0.887 -12.008 5.414 623 HA PRO 77 HA PRO 77 1.562 -14.812 1.219 624 HB2 PRO 77 2HB PRO 77 0.911 -14.074 -1.617 625 HB3 PRO 77 1HB PRO 77 0.376 -15.471 -0.662 626 HG2 PRO 77 2HG PRO 77 -1.321 -13.500 -1.203 627 HG3 PRO 77 1HG PRO 77 -1.324 -14.282 0.397 628 HD2 PRO 77 2HD PRO 77 -0.092 -11.642 -0.405 629 HD3 PRO 77 1HD PRO 77 -1.076 -12.046 1.012 630 H LEU 78 H LEU 78 2.526 -11.873 -0.537 631 HA LEU 78 HA LEU 78 4.937 -13.015 -1.662 632 HB2 LEU 78 2HB LEU 78 4.421 -10.026 -1.298 633 HB3 LEU 78 1HB LEU 78 5.555 -10.777 -2.403 634 HG LEU 78 HG LEU 78 2.506 -10.830 -2.658 635 HD11 LEU 78 1HD1 LEU 78 2.783 -9.441 -4.643 636 HD12 LEU 78 2HD1 LEU 78 4.528 -9.379 -4.396 637 HD13 LEU 78 3HD1 LEU 78 3.443 -8.631 -3.227 638 HD21 LEU 78 1HD2 LEU 78 4.556 -12.055 -4.548 639 HD22 LEU 78 2HD2 LEU 78 2.838 -11.863 -4.888 640 HD23 LEU 78 3HD2 LEU 78 3.352 -12.920 -3.589 641 H ALA 79 H ALA 79 4.102 -11.326 1.260 642 HA ALA 79 HA ALA 79 6.687 -10.716 2.252 643 HB1 ALA 79 1HB ALA 79 4.642 -9.704 3.179 644 HB2 ALA 79 2HB ALA 79 5.559 -10.523 4.446 645 HB3 ALA 79 3HB ALA 79 4.112 -11.280 3.770 646 H ILE 80 H ILE 80 4.468 -13.424 2.836 647 HA ILE 80 HA ILE 80 6.122 -15.031 4.471 648 HB ILE 80 HB ILE 80 3.793 -15.837 2.653 649 HG12 ILE 80 2HG1 ILE 80 3.809 -15.256 5.664 650 HG13 ILE 80 1HG1 ILE 80 3.158 -14.194 4.423 651 HG21 ILE 80 1HG2 ILE 80 5.145 -17.827 3.140 652 HG22 ILE 80 2HG2 ILE 80 3.610 -17.919 4.002 653 HG23 ILE 80 3HG2 ILE 80 5.083 -17.482 4.870 654 HD11 ILE 80 1HD1 ILE 80 1.393 -15.370 5.558 655 HD12 ILE 80 2HD1 ILE 80 2.110 -16.927 5.145 656 HD13 ILE 80 3HD1 ILE 80 1.471 -15.880 3.874 657 H ASN 81 H ASN 81 5.680 -14.866 0.958 658 HA ASN 81 HA ASN 81 7.392 -17.103 0.365 659 HB2 ASN 81 2HB ASN 81 5.496 -16.218 -1.149 660 HB3 ASN 81 1HB ASN 81 6.593 -14.917 -1.618 661 HD21 ASN 81 1HD2 ASN 81 6.566 -15.681 -3.791 662 HD22 ASN 81 2HD2 ASN 81 7.420 -17.103 -4.271 663 H ARG 82 H ARG 82 7.928 -13.761 1.128 664 HA ARG 82 HA ARG 82 9.801 -12.590 1.585 665 HB2 ARG 82 2HB ARG 82 11.385 -15.124 1.002 666 HB3 ARG 82 1HB ARG 82 12.011 -13.693 1.810 667 HG2 ARG 82 2HG ARG 82 10.595 -14.113 3.758 668 HG3 ARG 82 1HG ARG 82 9.794 -15.455 2.932 669 HD2 ARG 82 2HD ARG 82 12.708 -15.331 3.783 670 HD3 ARG 82 1HD ARG 82 11.441 -16.351 4.475 671 HE ARG 82 HE ARG 82 11.327 -17.330 2.090 672 HH11 ARG 82 1HH1 ARG 82 14.339 -16.247 3.592 673 HH12 ARG 82 2HH1 ARG 82 15.325 -17.338 2.672 674 HH21 ARG 82 1HH2 ARG 82 12.652 -18.729 0.874 675 HH22 ARG 82 2HH2 ARG 82 14.370 -18.742 1.134 676 H THR 83 H THR 83 8.858 -11.871 -0.758 677 HA THR 83 HA THR 83 11.326 -11.444 -2.381 678 HB THR 83 HB THR 83 9.740 -13.115 -3.507 679 HG1 THR 83 HG1 THR 83 9.830 -11.732 -5.570 680 HG21 THR 83 1HG2 THR 83 7.598 -11.974 -2.957 681 HG22 THR 83 2HG2 THR 83 7.782 -12.228 -4.690 682 HG23 THR 83 3HG2 THR 83 8.054 -10.631 -3.999 683 H LEU 84 H LEU 84 8.983 -9.982 -0.561 684 HA LEU 84 HA LEU 84 8.395 -7.658 -2.186 685 HB2 LEU 84 2HB LEU 84 6.977 -8.787 -0.336 686 HB3 LEU 84 1HB LEU 84 7.989 -7.938 0.814 687 HG LEU 84 HG LEU 84 6.437 -6.404 -1.309 688 HD11 LEU 84 1HD1 LEU 84 4.829 -7.850 -0.163 689 HD12 LEU 84 2HD1 LEU 84 4.570 -6.156 0.246 690 HD13 LEU 84 3HD1 LEU 84 5.356 -7.235 1.406 691 HD21 LEU 84 1HD2 LEU 84 8.138 -5.144 -0.016 692 HD22 LEU 84 2HD2 LEU 84 7.323 -5.587 1.478 693 HD23 LEU 84 3HD2 LEU 84 6.504 -4.570 0.291 694 H ASN 85 H ASN 85 9.485 -5.742 -2.239 695 HA ASN 85 HA ASN 85 12.191 -5.521 -1.692 696 HB2 ASN 85 2HB ASN 85 11.025 -3.907 -3.227 697 HB3 ASN 85 1HB ASN 85 10.322 -3.088 -1.827 698 HD21 ASN 85 1HD2 ASN 85 11.325 -1.130 -2.350 699 HD22 ASN 85 2HD2 ASN 85 13.020 -0.864 -2.188 700 H HIS 86 H HIS 86 9.564 -4.447 0.460 701 HA HIS 86 HA HIS 86 9.374 -4.487 2.717 702 HB2 HIS 86 2HB HIS 86 10.882 -6.495 2.651 703 HB3 HIS 86 1HB HIS 86 12.276 -5.438 2.792 704 HD1 HIS 86 HD1 HIS 86 9.300 -6.661 4.790 705 HD2 HIS 86 HD2 HIS 86 12.965 -4.810 5.424 706 HE1 HIS 86 HE1 HIS 86 9.638 -6.660 7.271 707 HE2 HIS 86 HE2 HIS 86 11.780 -5.412 7.635 708 H ASP 87 H ASP 87 11.080 -2.341 1.027 709 HA ASP 87 HA ASP 87 12.562 -0.919 3.026 710 HB2 ASP 87 2HB ASP 87 13.317 -0.828 0.698 711 HB3 ASP 87 1HB ASP 87 11.817 -0.097 0.161 712 H LEU 88 H LEU 88 9.212 -1.027 2.380 713 HA LEU 88 HA LEU 88 8.762 1.284 4.140 714 HB2 LEU 88 2HB LEU 88 6.445 1.494 2.924 715 HB3 LEU 88 1HB LEU 88 7.843 2.334 2.304 716 HG LEU 88 HG LEU 88 7.149 -0.357 1.099 717 HD11 LEU 88 1HD1 LEU 88 5.009 0.771 1.123 718 HD12 LEU 88 2HD1 LEU 88 5.648 0.720 -0.518 719 HD13 LEU 88 3HD1 LEU 88 5.724 2.217 0.411 720 HD21 LEU 88 1HD2 LEU 88 8.329 2.193 -0.070 721 HD22 LEU 88 2HD2 LEU 88 8.119 0.661 -0.923 722 HD23 LEU 88 3HD2 LEU 88 9.243 0.769 0.429 723 H SER 89 H SER 89 9.248 -1.243 4.929 724 HA SER 89 HA SER 89 7.124 -2.942 5.479 725 HB2 SER 89 2HB SER 89 9.449 -3.529 5.948 726 HB3 SER 89 1HB SER 89 9.557 -2.283 7.195 727 HG SER 89 HG SER 89 8.782 -3.696 8.534 728 H GLU 90 H GLU 90 7.802 0.188 6.799 729 HA GLU 90 HA GLU 90 6.316 -0.046 9.247 730 HB2 GLU 90 2HB GLU 90 7.404 2.384 7.756 731 HB3 GLU 90 1HB GLU 90 6.611 2.484 9.322 732 HG2 GLU 90 2HG GLU 90 8.442 1.113 10.328 733 HG3 GLU 90 1HG GLU 90 9.241 1.042 8.759 734 H LEU 91 H LEU 91 5.456 0.618 5.937 735 HA LEU 91 HA LEU 91 2.879 1.815 6.469 736 HB2 LEU 91 2HB LEU 91 4.009 2.206 4.329 737 HB3 LEU 91 1HB LEU 91 4.022 0.487 3.974 738 HG LEU 91 HG LEU 91 1.489 0.545 3.870 739 HD11 LEU 91 1HD1 LEU 91 1.825 3.550 4.060 740 HD12 LEU 91 2HD1 LEU 91 1.049 2.502 5.248 741 HD13 LEU 91 3HD1 LEU 91 0.333 2.695 3.654 742 HD21 LEU 91 1HD2 LEU 91 1.361 1.581 1.652 743 HD22 LEU 91 2HD2 LEU 91 2.820 0.612 1.821 744 HD23 LEU 91 3HD2 LEU 91 2.919 2.371 1.918 745 H TYR 92 H TYR 92 4.049 -1.456 5.642 746 HA TYR 92 HA TYR 92 1.552 -2.784 5.718 747 HB2 TYR 92 2HB TYR 92 3.508 -3.795 4.628 748 HB3 TYR 92 1HB TYR 92 4.352 -3.883 6.169 749 HD1 TYR 92 HD1 TYR 92 4.439 -6.044 7.099 750 HD2 TYR 92 HD2 TYR 92 1.001 -4.983 4.794 751 HE1 TYR 92 HE1 TYR 92 3.515 -8.286 7.454 752 HE2 TYR 92 HE2 TYR 92 0.073 -7.227 5.137 753 HH TYR 92 HH TYR 92 0.928 -9.523 5.661 754 H LYS 93 H LYS 93 3.969 -1.980 8.100 755 HA LYS 93 HA LYS 93 2.923 -3.246 10.414 756 HB2 LYS 93 2HB LYS 93 5.253 -2.483 10.246 757 HB3 LYS 93 1HB LYS 93 4.730 -0.820 10.033 758 HG2 LYS 93 2HG LYS 93 3.852 -0.827 12.369 759 HG3 LYS 93 1HG LYS 93 4.468 -2.474 12.566 760 HD2 LYS 93 2HD LYS 93 6.773 -1.673 12.119 761 HD3 LYS 93 1HD LYS 93 6.162 -0.031 11.889 762 HE2 LYS 93 2HE LYS 93 7.152 -0.258 14.098 763 HE3 LYS 93 1HE LYS 93 5.415 0.001 14.252 764 HZ1 LYS 93 1HZ LYS 93 5.099 -2.296 14.722 765 HZ2 LYS 93 2HZ LYS 93 6.340 -1.743 15.723 766 HZ3 LYS 93 3HZ LYS 93 6.707 -2.665 14.359 767 H PHE 94 H PHE 94 2.493 -0.041 8.931 768 HA PHE 94 HA PHE 94 1.075 1.283 10.923 769 HB2 PHE 94 2HB PHE 94 1.974 2.486 8.979 770 HB3 PHE 94 1HB PHE 94 0.886 1.637 7.897 771 HD1 PHE 94 HD1 PHE 94 -1.288 2.563 7.423 772 HD2 PHE 94 HD2 PHE 94 0.955 4.068 10.740 773 HE1 PHE 94 HE1 PHE 94 -2.945 4.349 7.730 774 HE2 PHE 94 HE2 PHE 94 -0.705 5.856 11.036 775 HZ PHE 94 HZ PHE 94 -2.656 6.001 9.536 776 H ILE 95 H ILE 95 -0.265 -0.583 8.126 777 HA ILE 95 HA ILE 95 -2.984 -0.084 8.934 778 HB ILE 95 HB ILE 95 -3.752 -1.391 7.096 779 HG12 ILE 95 2HG1 ILE 95 -1.064 -2.805 7.154 780 HG13 ILE 95 1HG1 ILE 95 -2.681 -3.478 7.117 781 HG21 ILE 95 1HG2 ILE 95 -2.764 0.762 6.516 782 HG22 ILE 95 2HG2 ILE 95 -2.555 -0.385 5.195 783 HG23 ILE 95 3HG2 ILE 95 -1.191 0.008 6.246 784 HD11 ILE 95 1HD1 ILE 95 -1.286 -2.167 4.787 785 HD12 ILE 95 2HD1 ILE 95 -2.910 -2.860 4.778 786 HD13 ILE 95 3HD1 ILE 95 -1.510 -3.897 5.047 787 H THR 96 H THR 96 -0.804 -2.148 10.395 788 HA THR 96 HA THR 96 -2.955 -3.897 11.467 789 HB THR 96 HB THR 96 -0.972 -5.405 12.193 790 HG1 THR 96 HG1 THR 96 0.449 -4.240 10.055 791 HG21 THR 96 1HG2 THR 96 -2.515 -6.021 10.327 792 HG22 THR 96 2HG2 THR 96 -0.866 -6.594 10.078 793 HG23 THR 96 3HG2 THR 96 -1.442 -5.185 9.204 794 H SER 97 H SER 97 -1.021 -1.258 12.235 795 HA SER 97 HA SER 97 -1.108 -1.833 15.153 796 HB2 SER 97 2HB SER 97 1.216 -1.874 14.303 797 HB3 SER 97 1HB SER 97 1.022 -0.266 13.612 798 HG SER 97 HG SER 97 0.870 0.583 15.664 799 H SER 98 H SER 98 -2.558 -0.062 12.812 800 HA SER 98 HA SER 98 -2.870 2.415 14.402 801 HB2 SER 98 2HB SER 98 -3.835 3.326 12.274 802 HB3 SER 98 1HB SER 98 -2.188 2.724 12.067 803 HG SER 98 HG SER 98 -3.043 1.598 10.514 804 H LYS 99 H LYS 99 -4.253 -0.435 14.601 805 HA LYS 99 HA LYS 99 -6.249 -1.385 15.041 806 HB2 LYS 99 2HB LYS 99 -7.125 1.442 15.807 807 HB3 LYS 99 1HB LYS 99 -7.915 -0.054 16.302 808 HG2 LYS 99 2HG LYS 99 -5.903 -0.711 17.583 809 HG3 LYS 99 1HG LYS 99 -5.084 0.762 17.067 810 HD2 LYS 99 2HD LYS 99 -7.630 0.734 18.741 811 HD3 LYS 99 1HD LYS 99 -6.007 0.817 19.419 812 HE2 LYS 99 2HE LYS 99 -6.833 3.046 19.407 813 HE3 LYS 99 1HE LYS 99 -5.675 2.960 18.085 814 HZ1 LYS 99 1HZ LYS 99 -7.496 2.806 16.531 815 HZ2 LYS 99 2HZ LYS 99 -7.714 4.165 17.507 816 HZ3 LYS 99 3HZ LYS 99 -8.625 2.774 17.786 817 H ALA 100 H ALA 100 -6.578 -1.964 12.905 818 HA ALA 100 HA ALA 100 -8.426 -0.405 11.258 819 HB1 ALA 100 1HB ALA 100 -5.637 -1.176 10.315 820 HB2 ALA 100 2HB ALA 100 -6.134 0.448 10.792 821 HB3 ALA 100 3HB ALA 100 -6.869 -0.316 9.387 822 H SER 101 H SER 101 -6.126 -3.136 10.895 823 HA SER 101 HA SER 101 -7.997 -4.636 9.277 824 HB2 SER 101 2HB SER 101 -6.105 -6.337 9.236 825 HB3 SER 101 1HB SER 101 -5.662 -4.737 8.649 826 HG SER 101 HG SER 101 -4.471 -4.388 10.415 827 H ASN 102 H ASN 102 -9.700 -4.863 10.768 828 HA ASN 102 HA ASN 102 -11.057 -5.912 12.209 829 HB2 ASN 102 2HB ASN 102 -10.471 -7.817 10.690 830 HB3 ASN 102 1HB ASN 102 -9.202 -8.305 11.807 831 HD21 ASN 102 1HD2 ASN 102 -9.804 -9.318 13.758 832 HD22 ASN 102 2HD2 ASN 102 -11.394 -9.932 14.026 833 H LYS 103 H LYS 103 -10.099 -4.317 13.714 834 HA LYS 103 HA LYS 103 -9.457 -5.470 16.279 835 HB2 LYS 103 2HB LYS 103 -7.186 -5.369 15.059 836 HB3 LYS 103 1HB LYS 103 -7.360 -3.621 14.996 837 HG2 LYS 103 2HG LYS 103 -5.855 -4.268 16.811 838 HG3 LYS 103 1HG LYS 103 -7.319 -3.530 17.470 839 HD2 LYS 103 2HD LYS 103 -8.219 -5.767 18.004 840 HD3 LYS 103 1HD LYS 103 -6.780 -6.528 17.319 841 HE2 LYS 103 2HE LYS 103 -6.603 -6.489 19.743 842 HE3 LYS 103 1HE LYS 103 -5.400 -5.390 19.068 843 HZ1 LYS 103 1HZ LYS 103 -8.032 -4.563 20.175 844 HZ2 LYS 103 2HZ LYS 103 -6.825 -3.531 19.606 845 HZ3 LYS 103 3HZ LYS 103 -6.562 -4.456 20.992 846 H ASN 104 H ASN 104 -11.647 -4.112 15.389 847 HA ASN 104 HA ASN 104 -13.025 -2.312 15.442 848 HB2 ASN 104 2HB ASN 104 -11.239 -1.606 17.823 849 HB3 ASN 104 1HB ASN 104 -12.658 -0.662 17.389 850 HD21 ASN 104 1HD2 ASN 104 -11.565 -3.790 18.556 851 HD22 ASN 104 2HD2 ASN 104 -13.090 -4.286 19.204 852 H LEU 105 H LEU 105 -12.652 -1.432 13.480 853 HA LEU 105 HA LEU 105 -10.231 -0.175 12.707 854 HB2 LEU 105 2HB LEU 105 -11.932 -1.464 11.265 855 HB3 LEU 105 1HB LEU 105 -12.918 -0.019 11.262 856 HG LEU 105 HG LEU 105 -10.076 0.008 10.144 857 HD11 LEU 105 1HD1 LEU 105 -11.076 -0.374 7.876 858 HD12 LEU 105 2HD1 LEU 105 -12.606 -0.784 8.652 859 HD13 LEU 105 3HD1 LEU 105 -11.176 -1.777 8.937 860 HD21 LEU 105 1HD2 LEU 105 -12.478 1.753 9.483 861 HD22 LEU 105 2HD2 LEU 105 -10.870 1.880 8.766 862 HD23 LEU 105 3HD2 LEU 105 -11.100 2.235 10.474 863 H GLY 106 H GLY 106 -9.842 1.499 14.126 864 HA2 GLY 106 2HA GLY 106 -11.712 3.533 14.864 865 HA3 GLY 106 1HA GLY 106 -10.000 3.483 15.243 866 H GLY 107 H GLY 107 -9.683 3.185 12.117 867 HA2 GLY 107 2HA GLY 107 -9.658 6.021 11.415 868 HA3 GLY 107 1HA GLY 107 -9.138 4.664 10.418 869 H GLY 108 H GLY 108 -12.200 5.251 12.063 870 HA2 GLY 108 2HA GLY 108 -13.795 5.633 9.707 871 HA3 GLY 108 1HA GLY 108 -13.931 4.013 10.400 872 H LEU 109 H LEU 109 -16.179 5.287 10.384 873 HA LEU 109 HA LEU 109 -17.966 5.970 11.505 874 HB2 LEU 109 2HB LEU 109 -17.216 4.420 13.334 875 HB3 LEU 109 1HB LEU 109 -16.352 5.749 14.082 876 HG LEU 109 HG LEU 109 -18.478 6.930 14.528 877 HD11 LEU 109 1HD1 LEU 109 -20.665 5.856 14.072 878 HD12 LEU 109 2HD1 LEU 109 -19.841 4.585 13.168 879 HD13 LEU 109 3HD1 LEU 109 -19.787 6.253 12.595 880 HD21 LEU 109 1HD2 LEU 109 -17.672 5.360 16.237 881 HD22 LEU 109 2HD2 LEU 109 -18.569 4.045 15.477 882 HD23 LEU 109 3HD2 LEU 109 -19.435 5.398 16.208 883 H ILE 110 H ILE 110 -18.921 7.903 11.906 884 HA ILE 110 HA ILE 110 -17.477 10.121 13.097 885 HB ILE 110 HB ILE 110 -16.901 10.274 10.653 886 HG12 ILE 110 2HG1 ILE 110 -18.620 12.534 11.786 887 HG13 ILE 110 1HG1 ILE 110 -16.894 12.316 12.027 888 HG21 ILE 110 1HG2 ILE 110 -18.958 9.338 9.685 889 HG22 ILE 110 2HG2 ILE 110 -18.608 10.921 8.992 890 HG23 ILE 110 3HG2 ILE 110 -19.871 10.754 10.214 891 HD11 ILE 110 1HD1 ILE 110 -16.480 12.835 9.691 892 HD12 ILE 110 2HD1 ILE 110 -17.413 14.108 10.469 893 HD13 ILE 110 3HD1 ILE 110 -18.218 12.966 9.398 894 H MET 111 H MET 111 -18.860 11.625 14.029 895 HA MET 111 HA MET 111 -21.659 10.793 14.335 896 HB2 MET 111 2HB MET 111 -19.934 12.837 15.805 897 HB3 MET 111 1HB MET 111 -21.635 12.560 16.171 898 HG2 MET 111 2HG MET 111 -20.248 11.378 17.771 899 HG3 MET 111 1HG MET 111 -21.110 10.212 16.766 900 HE1 MET 111 1HE MET 111 -17.702 8.361 17.488 901 HE2 MET 111 2HE MET 111 -19.460 8.249 17.584 902 HE3 MET 111 3HE MET 111 -18.588 9.396 18.604 903 H SER 112 H SER 112 -20.769 11.998 11.792 904 HA SER 112 HA SER 112 -22.770 14.156 11.632 905 HB2 SER 112 2HB SER 112 -20.494 15.210 11.662 906 HB3 SER 112 1HB SER 112 -20.039 14.246 10.255 907 HG SER 112 HG SER 112 -21.066 16.562 10.139 908 H TRP 113 H TRP 113 -24.304 12.974 10.552 909 HA TRP 113 HA TRP 113 -23.732 11.157 8.382 910 HB2 TRP 113 2HB TRP 113 -25.679 10.888 9.972 911 HB3 TRP 113 1HB TRP 113 -26.426 12.320 9.278 912 HD1 TRP 113 HD1 TRP 113 -25.048 8.974 7.799 913 HE1 TRP 113 HE1 TRP 113 -26.777 8.061 6.135 914 HE3 TRP 113 HE3 TRP 113 -28.587 12.650 8.180 915 HZ2 TRP 113 HZ2 TRP 113 -29.304 8.776 5.125 916 HZ3 TRP 113 HZ3 TRP 113 -30.640 12.458 6.832 917 HH2 TRP 113 HH2 TRP 113 -30.991 10.556 5.335 918 H GLY 114 H GLY 114 -24.216 14.541 8.666 919 HA2 GLY 114 2HA GLY 114 -25.214 14.956 5.930 920 HA3 GLY 114 1HA GLY 114 -25.148 16.146 7.218 921 H ARG 115 H ARG 115 -22.779 16.640 7.975 922 HA ARG 115 HA ARG 115 -20.567 16.427 6.253 923 HB2 ARG 115 2HB ARG 115 -21.877 17.827 4.675 924 HB3 ARG 115 1HB ARG 115 -22.154 19.038 5.926 925 HG2 ARG 115 2HG ARG 115 -19.776 19.566 5.995 926 HG3 ARG 115 1HG ARG 115 -19.429 18.283 4.842 927 HD2 ARG 115 2HD ARG 115 -20.619 19.486 3.080 928 HD3 ARG 115 1HD ARG 115 -21.098 20.748 4.231 929 HE ARG 115 HE ARG 115 -18.497 20.855 4.536 930 HH11 ARG 115 1HH1 ARG 115 -20.194 20.645 1.457 931 HH12 ARG 115 2HH1 ARG 115 -18.945 21.493 0.602 932 HH21 ARG 115 1HH2 ARG 115 -16.925 21.944 3.441 933 HH22 ARG 115 2HH2 ARG 115 -17.082 22.232 1.738 934 H LEU 116 H LEU 116 -18.794 16.916 7.509 935 HA LEU 116 HA LEU 116 -19.199 18.028 10.163 936 HB2 LEU 116 2HB LEU 116 -17.604 16.049 9.391 937 HB3 LEU 116 1HB LEU 116 -16.475 17.330 9.021 938 HG LEU 116 HG LEU 116 -15.943 16.348 11.195 939 HD11 LEU 116 1HD1 LEU 116 -15.527 18.754 11.006 940 HD12 LEU 116 2HD1 LEU 116 -15.898 18.285 12.662 941 HD13 LEU 116 3HD1 LEU 116 -17.122 19.093 11.676 942 HD21 LEU 116 1HD2 LEU 116 -17.461 16.362 13.095 943 HD22 LEU 116 2HD2 LEU 116 -18.162 15.464 11.752 944 HD23 LEU 116 3HD2 LEU 116 -18.729 17.096 12.109 945 H PHE 117 H PHE 117 -16.459 18.841 7.981 946 HA PHE 117 HA PHE 117 -16.894 21.715 8.481 947 HB2 PHE 117 2HB PHE 117 -14.503 20.352 7.157 948 HB3 PHE 117 1HB PHE 117 -14.624 22.055 7.566 949 HD1 PHE 117 HD1 PHE 117 -15.155 22.521 10.163 950 HD2 PHE 117 HD2 PHE 117 -13.288 18.981 8.637 951 HE1 PHE 117 HE1 PHE 117 -14.130 22.101 12.361 952 HE2 PHE 117 HE2 PHE 117 -12.273 18.571 10.840 953 HZ PHE 117 HZ PHE 117 -12.690 20.132 12.701 Start of MODEL 3 1 H1 MET 1 1H MET 1 -0.634 -3.524 27.092 2 H2 MET 1 2H MET 1 -0.643 -2.103 26.183 3 H3 MET 1 3H MET 1 -0.611 -3.598 25.403 4 HA MET 1 HA MET 1 -2.800 -2.612 25.297 5 HB2 MET 1 2HB MET 1 -2.628 -5.070 27.106 6 HB3 MET 1 1HB MET 1 -4.090 -4.546 26.278 7 HG2 MET 1 2HG MET 1 -3.030 -4.944 24.108 8 HG3 MET 1 1HG MET 1 -1.526 -5.393 24.905 9 HE1 MET 1 1HE MET 1 -5.260 -6.380 25.892 10 HE2 MET 1 2HE MET 1 -5.402 -7.920 25.046 11 HE3 MET 1 3HE MET 1 -5.240 -6.422 24.128 12 H SER 2 H SER 2 -4.085 -1.129 26.195 13 HA SER 2 HA SER 2 -4.333 -0.938 29.131 14 HB2 SER 2 2HB SER 2 -2.622 0.714 28.427 15 HB3 SER 2 1HB SER 2 -3.757 1.423 27.273 16 HG SER 2 HG SER 2 -4.909 2.260 28.905 17 H GLY 3 H GLY 3 -6.362 -1.895 28.919 18 HA2 GLY 3 2HA GLY 3 -8.652 -1.683 29.106 19 HA3 GLY 3 1HA GLY 3 -8.538 -0.049 28.471 20 H SER 4 H SER 4 -10.634 -1.221 27.558 21 HA SER 4 HA SER 4 -10.159 -2.766 25.109 22 HB2 SER 4 2HB SER 4 -11.945 -3.490 26.721 23 HB3 SER 4 1HB SER 4 -12.794 -1.963 26.454 24 HG SER 4 HG SER 4 -12.130 -3.807 24.397 25 H HIS 5 H HIS 5 -9.489 -1.406 23.530 26 HA HIS 5 HA HIS 5 -10.329 1.324 23.205 27 HB2 HIS 5 2HB HIS 5 -8.640 -0.499 21.439 28 HB3 HIS 5 1HB HIS 5 -8.959 1.192 21.064 29 HD1 HIS 5 HD1 HIS 5 -6.597 2.001 21.259 30 HD2 HIS 5 HD2 HIS 5 -7.855 0.009 24.678 31 HE1 HIS 5 HE1 HIS 5 -4.772 2.341 22.938 32 HE2 HIS 5 HE2 HIS 5 -5.594 1.213 25.027 33 H HIS 6 H HIS 6 -11.911 2.107 22.015 34 HA HIS 6 HA HIS 6 -13.013 0.765 19.656 35 HB2 HIS 6 2HB HIS 6 -14.775 1.687 21.996 36 HB3 HIS 6 1HB HIS 6 -15.371 1.147 20.433 37 HD1 HIS 6 HD1 HIS 6 -15.329 -1.415 19.989 38 HD2 HIS 6 HD2 HIS 6 -14.012 -0.324 23.769 39 HE1 HIS 6 HE1 HIS 6 -15.295 -3.533 21.332 40 HE2 HIS 6 HE2 HIS 6 -14.367 -2.868 23.560 41 H HIS 7 H HIS 7 -15.163 2.751 19.345 42 HA HIS 7 HA HIS 7 -13.724 5.188 18.804 43 HB2 HIS 7 2HB HIS 7 -15.752 4.470 17.474 44 HB3 HIS 7 1HB HIS 7 -16.755 4.822 18.879 45 HD1 HIS 7 HD1 HIS 7 -14.287 6.667 16.625 46 HD2 HIS 7 HD2 HIS 7 -17.696 7.407 18.876 47 HE1 HIS 7 HE1 HIS 7 -14.895 9.048 16.149 48 HE2 HIS 7 HE2 HIS 7 -17.032 9.426 17.403 49 H HIS 8 H HIS 8 -12.777 5.599 20.811 50 HA HIS 8 HA HIS 8 -14.364 6.066 23.216 51 HB2 HIS 8 2HB HIS 8 -12.018 4.971 23.120 52 HB3 HIS 8 1HB HIS 8 -11.377 6.589 22.860 53 HD1 HIS 8 HD1 HIS 8 -12.744 4.351 25.472 54 HD2 HIS 8 HD2 HIS 8 -11.509 8.297 25.154 55 HE1 HIS 8 HE1 HIS 8 -12.524 5.172 27.825 56 HE2 HIS 8 HE2 HIS 8 -11.504 7.448 27.587 57 H HIS 9 H HIS 9 -12.699 7.878 20.744 58 HA HIS 9 HA HIS 9 -12.847 10.467 21.943 59 HB2 HIS 9 2HB HIS 9 -12.502 9.611 19.032 60 HB3 HIS 9 1HB HIS 9 -12.377 11.275 19.589 61 HD1 HIS 9 HD1 HIS 9 -10.079 12.018 20.052 62 HD2 HIS 9 HD2 HIS 9 -10.404 7.892 20.328 63 HE1 HIS 9 HE1 HIS 9 -7.736 11.180 20.370 64 HE2 HIS 9 HE2 HIS 9 -7.991 8.701 20.664 65 H HIS 10 H HIS 10 -14.862 11.304 22.405 66 HA HIS 10 HA HIS 10 -17.214 10.703 20.821 67 HB2 HIS 10 2HB HIS 10 -16.772 12.589 23.177 68 HB3 HIS 10 1HB HIS 10 -18.323 12.421 22.363 69 HD1 HIS 10 HD1 HIS 10 -19.831 10.968 23.652 70 HD2 HIS 10 HD2 HIS 10 -15.882 9.733 24.000 71 HE1 HIS 10 HE1 HIS 10 -19.883 8.949 25.142 72 HE2 HIS 10 HE2 HIS 10 -17.519 8.106 25.163 73 H SER 11 H SER 11 -16.332 11.428 18.783 74 HA SER 11 HA SER 11 -15.871 14.196 18.211 75 HB2 SER 11 2HB SER 11 -16.053 13.407 15.812 76 HB3 SER 11 1HB SER 11 -14.890 12.492 16.773 77 HG SER 11 HG SER 11 -17.453 11.730 15.876 78 H SER 12 H SER 12 -17.290 15.706 17.395 79 HA SER 12 HA SER 12 -20.043 15.595 18.025 80 HB2 SER 12 2HB SER 12 -18.709 17.718 17.896 81 HB3 SER 12 1HB SER 12 -18.608 17.538 16.150 82 HG SER 12 HG SER 12 -20.964 17.599 16.178 83 H GLY 13 H GLY 13 -20.934 13.785 17.014 84 HA2 GLY 13 2HA GLY 13 -21.902 12.493 15.399 85 HA3 GLY 13 1HA GLY 13 -21.766 13.853 14.281 86 H ILE 14 H ILE 14 -20.372 13.636 12.693 87 HA ILE 14 HA ILE 14 -18.715 12.996 11.297 88 HB ILE 14 HB ILE 14 -17.381 12.097 13.865 89 HG12 ILE 14 2HG1 ILE 14 -16.557 13.953 11.572 90 HG13 ILE 14 1HG1 ILE 14 -16.953 14.408 13.226 91 HG21 ILE 14 1HG2 ILE 14 -15.462 11.043 12.729 92 HG22 ILE 14 2HG2 ILE 14 -16.263 11.204 11.169 93 HG23 ILE 14 3HG2 ILE 14 -16.946 10.148 12.405 94 HD11 ILE 14 1HD1 ILE 14 -14.612 14.596 12.853 95 HD12 ILE 14 2HD1 ILE 14 -14.503 12.919 12.329 96 HD13 ILE 14 3HD1 ILE 14 -14.911 13.296 14.006 97 H GLU 15 H GLU 15 -19.164 11.612 9.755 98 HA GLU 15 HA GLU 15 -19.099 8.751 10.118 99 HB2 GLU 15 2HB GLU 15 -21.472 9.134 10.641 100 HB3 GLU 15 1HB GLU 15 -21.667 10.144 9.215 101 HG2 GLU 15 2HG GLU 15 -22.657 7.896 8.930 102 HG3 GLU 15 1HG GLU 15 -21.398 8.231 7.745 103 H GLY 16 H GLY 16 -20.168 11.352 7.930 104 HA2 GLY 16 2HA GLY 16 -18.202 10.486 5.888 105 HA3 GLY 16 1HA GLY 16 -19.615 11.493 5.592 106 H ARG 17 H ARG 17 -19.479 13.638 5.846 107 HA ARG 17 HA ARG 17 -18.678 15.721 5.945 108 HB2 ARG 17 2HB ARG 17 -18.374 15.171 8.393 109 HB3 ARG 17 1HB ARG 17 -16.713 14.696 8.051 110 HG2 ARG 17 2HG ARG 17 -16.178 17.010 7.340 111 HG3 ARG 17 1HG ARG 17 -17.855 17.489 7.622 112 HD2 ARG 17 2HD ARG 17 -15.876 16.534 9.726 113 HD3 ARG 17 1HD ARG 17 -16.483 18.184 9.508 114 HE ARG 17 HE ARG 17 -18.723 16.631 9.852 115 HH11 ARG 17 1HH1 ARG 17 -15.878 17.369 11.808 116 HH12 ARG 17 2HH1 ARG 17 -16.714 17.145 13.312 117 HH21 ARG 17 1HH2 ARG 17 -19.785 16.278 11.828 118 HH22 ARG 17 2HH2 ARG 17 -18.932 16.522 13.324 119 H GLY 18 H GLY 18 -17.997 15.356 3.791 120 HA2 GLY 18 2HA GLY 18 -15.445 14.319 3.054 121 HA3 GLY 18 1HA GLY 18 -16.612 15.093 2.006 122 H ARG 19 H ARG 19 -14.136 15.762 4.427 123 HA ARG 19 HA ARG 19 -13.791 18.539 3.826 124 HB2 ARG 19 2HB ARG 19 -11.877 16.581 5.193 125 HB3 ARG 19 1HB ARG 19 -11.741 18.333 5.236 126 HG2 ARG 19 2HG ARG 19 -14.152 16.879 6.358 127 HG3 ARG 19 1HG ARG 19 -12.694 17.156 7.302 128 HD2 ARG 19 2HD ARG 19 -14.174 18.883 7.913 129 HD3 ARG 19 1HD ARG 19 -13.017 19.649 6.828 130 HE ARG 19 HE ARG 19 -14.886 19.233 5.075 131 HH11 ARG 19 1HH1 ARG 19 -15.456 20.100 8.456 132 HH12 ARG 19 2HH1 ARG 19 -16.961 20.898 8.120 133 HH21 ARG 19 1HH2 ARG 19 -16.841 20.331 4.647 134 HH22 ARG 19 2HH2 ARG 19 -17.745 21.027 5.957 135 H MET 20 H MET 20 -11.704 15.706 3.260 136 HA MET 20 HA MET 20 -10.758 16.857 0.686 137 HB2 MET 20 2HB MET 20 -9.324 14.810 2.452 138 HB3 MET 20 1HB MET 20 -8.705 15.548 0.979 139 HG2 MET 20 2HG MET 20 -9.278 16.981 3.578 140 HG3 MET 20 1HG MET 20 -7.682 16.558 2.950 141 HE1 MET 20 1HE MET 20 -7.056 19.234 3.379 142 HE2 MET 20 2HE MET 20 -8.718 19.529 3.896 143 HE3 MET 20 3HE MET 20 -7.990 20.541 2.650 144 H LYS 21 H LYS 21 -11.378 13.803 2.406 145 HA LYS 21 HA LYS 21 -13.163 12.934 0.235 146 HB2 LYS 21 2HB LYS 21 -11.148 11.179 1.722 147 HB3 LYS 21 1HB LYS 21 -12.507 10.527 0.808 148 HG2 LYS 21 2HG LYS 21 -11.566 11.703 -1.244 149 HG3 LYS 21 1HG LYS 21 -10.138 12.077 -0.272 150 HD2 LYS 21 2HD LYS 21 -9.816 9.612 0.105 151 HD3 LYS 21 1HD LYS 21 -11.178 9.309 -0.976 152 HE2 LYS 21 2HE LYS 21 -9.083 9.023 -2.168 153 HE3 LYS 21 1HE LYS 21 -9.946 10.417 -2.816 154 HZ1 LYS 21 1HZ LYS 21 -7.611 10.898 -2.546 155 HZ2 LYS 21 2HZ LYS 21 -7.666 10.510 -0.906 156 HZ3 LYS 21 3HZ LYS 21 -8.509 11.850 -1.488 157 H LYS 22 H LYS 22 -14.713 11.168 1.164 158 HA LYS 22 HA LYS 22 -15.971 12.393 3.502 159 HB2 LYS 22 2HB LYS 22 -16.972 10.127 1.712 160 HB3 LYS 22 1HB LYS 22 -17.921 10.984 2.926 161 HG2 LYS 22 2HG LYS 22 -17.623 13.102 1.614 162 HG3 LYS 22 1HG LYS 22 -16.784 12.172 0.367 163 HD2 LYS 22 2HD LYS 22 -18.826 10.795 0.016 164 HD3 LYS 22 1HD LYS 22 -19.659 11.717 1.270 165 HE2 LYS 22 2HE LYS 22 -19.368 13.785 -0.114 166 HE3 LYS 22 1HE LYS 22 -18.649 12.792 -1.383 167 HZ1 LYS 22 1HZ LYS 22 -20.955 13.164 -1.870 168 HZ2 LYS 22 2HZ LYS 22 -21.436 12.600 -0.355 169 HZ3 LYS 22 3HZ LYS 22 -20.765 11.528 -1.477 170 H LYS 23 H LYS 23 -14.680 9.217 2.590 171 HA LYS 23 HA LYS 23 -15.360 8.020 5.174 172 HB2 LYS 23 2HB LYS 23 -13.967 6.804 2.740 173 HB3 LYS 23 1HB LYS 23 -14.524 5.918 4.160 174 HG2 LYS 23 2HG LYS 23 -16.844 6.408 3.631 175 HG3 LYS 23 1HG LYS 23 -16.353 7.461 2.298 176 HD2 LYS 23 2HD LYS 23 -15.352 5.494 1.134 177 HD3 LYS 23 1HD LYS 23 -15.891 4.455 2.462 178 HE2 LYS 23 2HE LYS 23 -18.241 5.058 1.975 179 HE3 LYS 23 1HE LYS 23 -17.694 6.087 0.643 180 HZ1 LYS 23 1HZ LYS 23 -16.687 4.057 -0.342 181 HZ2 LYS 23 2HZ LYS 23 -18.365 4.027 -0.254 182 HZ3 LYS 23 3HZ LYS 23 -17.450 3.142 0.852 183 H GLN 24 H GLN 24 -13.993 8.521 6.784 184 HA GLN 24 HA GLN 24 -12.202 8.937 8.073 185 HB2 GLN 24 2HB GLN 24 -10.694 7.112 6.142 186 HB3 GLN 24 1HB GLN 24 -10.154 7.581 7.752 187 HG2 GLN 24 2HG GLN 24 -12.504 5.804 7.037 188 HG3 GLN 24 1HG GLN 24 -11.024 5.348 7.881 189 HE21 GLN 24 1HE2 GLN 24 -13.888 5.129 8.649 190 HE22 GLN 24 2HE2 GLN 24 -14.025 5.932 10.172 191 H ILE 25 H ILE 25 -11.410 10.970 8.103 192 HA ILE 25 HA ILE 25 -10.387 12.143 5.619 193 HB ILE 25 HB ILE 25 -11.194 13.410 8.289 194 HG12 ILE 25 2HG1 ILE 25 -12.851 14.698 7.027 195 HG13 ILE 25 1HG1 ILE 25 -12.242 14.154 5.477 196 HG21 ILE 25 1HG2 ILE 25 -9.792 14.863 6.002 197 HG22 ILE 25 2HG2 ILE 25 -9.141 14.565 7.615 198 HG23 ILE 25 3HG2 ILE 25 -10.521 15.640 7.412 199 HD11 ILE 25 1HD1 ILE 25 -14.339 13.117 5.982 200 HD12 ILE 25 2HD1 ILE 25 -13.750 12.517 7.525 201 HD13 ILE 25 3HD1 ILE 25 -13.090 11.881 6.012 202 H GLU 26 H GLU 26 -9.356 11.548 8.958 203 HA GLU 26 HA GLU 26 -6.739 12.679 8.634 204 HB2 GLU 26 2HB GLU 26 -7.834 10.886 10.852 205 HB3 GLU 26 1HB GLU 26 -6.283 11.717 10.898 206 HG2 GLU 26 2HG GLU 26 -7.806 12.975 12.237 207 HG3 GLU 26 1HG GLU 26 -7.498 13.904 10.772 208 H PHE 27 H PHE 27 -7.999 9.325 8.841 209 HA PHE 27 HA PHE 27 -5.465 8.059 8.636 210 HB2 PHE 27 2HB PHE 27 -7.731 7.038 9.497 211 HB3 PHE 27 1HB PHE 27 -8.039 6.647 7.811 212 HD1 PHE 27 HD1 PHE 27 -5.981 5.882 10.769 213 HD2 PHE 27 HD2 PHE 27 -6.626 4.913 6.652 214 HE1 PHE 27 HE1 PHE 27 -4.608 3.861 11.009 215 HE2 PHE 27 HE2 PHE 27 -5.244 2.881 6.941 216 HZ PHE 27 HZ PHE 27 -4.242 2.360 9.110 217 H GLU 28 H GLU 28 -7.781 9.203 6.253 218 HA GLU 28 HA GLU 28 -6.651 7.855 3.997 219 HB2 GLU 28 2HB GLU 28 -8.963 8.690 3.996 220 HB3 GLU 28 1HB GLU 28 -8.406 10.347 4.059 221 HG2 GLU 28 2HG GLU 28 -7.662 8.517 1.767 222 HG3 GLU 28 1HG GLU 28 -9.195 9.373 1.796 223 H ASN 29 H ASN 29 -6.249 11.155 5.372 224 HA ASN 29 HA ASN 29 -4.545 12.138 3.340 225 HB2 ASN 29 2HB ASN 29 -4.964 13.048 6.219 226 HB3 ASN 29 1HB ASN 29 -3.861 13.869 5.121 227 HD21 ASN 29 1HD2 ASN 29 -5.025 15.784 5.165 228 HD22 ASN 29 2HD2 ASN 29 -6.558 15.964 4.389 229 H GLU 30 H GLU 30 -3.837 10.504 6.436 230 HA GLU 30 HA GLU 30 -0.982 10.861 6.205 231 HB2 GLU 30 2HB GLU 30 -1.948 10.682 8.412 232 HB3 GLU 30 1HB GLU 30 -2.620 9.090 8.061 233 HG2 GLU 30 2HG GLU 30 -0.487 8.057 8.076 234 HG3 GLU 30 1HG GLU 30 0.365 9.594 7.946 235 H LEU 31 H LEU 31 -3.181 8.094 5.696 236 HA LEU 31 HA LEU 31 -1.207 6.203 4.991 237 HB2 LEU 31 2HB LEU 31 -3.433 5.283 5.326 238 HB3 LEU 31 1HB LEU 31 -4.113 6.323 4.097 239 HG LEU 31 HG LEU 31 -2.652 4.950 2.388 240 HD11 LEU 31 1HD1 LEU 31 -2.439 2.497 3.004 241 HD12 LEU 31 2HD1 LEU 31 -2.535 2.983 4.684 242 HD13 LEU 31 3HD1 LEU 31 -1.223 3.570 3.663 243 HD21 LEU 31 1HD2 LEU 31 -4.420 3.212 2.085 244 HD22 LEU 31 2HD2 LEU 31 -5.049 4.845 2.218 245 HD23 LEU 31 3HD2 LEU 31 -5.164 3.740 3.592 246 H ARG 32 H ARG 32 -2.951 8.546 3.022 247 HA ARG 32 HA ARG 32 -1.828 7.796 0.522 248 HB2 ARG 32 2HB ARG 32 -4.013 9.193 1.055 249 HB3 ARG 32 1HB ARG 32 -2.937 10.577 0.980 250 HG2 ARG 32 2HG ARG 32 -3.296 8.568 -1.274 251 HG3 ARG 32 1HG ARG 32 -4.186 10.079 -1.156 252 HD2 ARG 32 2HD ARG 32 -2.119 11.347 -1.402 253 HD3 ARG 32 1HD ARG 32 -1.173 9.859 -1.381 254 HE ARG 32 HE ARG 32 -2.801 9.470 -3.495 255 HH11 ARG 32 1HH1 ARG 32 -0.619 12.102 -2.635 256 HH12 ARG 32 2HH1 ARG 32 -0.288 12.520 -4.284 257 HH21 ARG 32 1HH2 ARG 32 -2.314 10.009 -5.651 258 HH22 ARG 32 2HH2 ARG 32 -1.251 11.344 -5.986 259 H SER 33 H SER 33 -0.888 10.116 3.048 260 HA SER 33 HA SER 33 1.068 11.569 1.611 261 HB2 SER 33 2HB SER 33 0.161 12.322 3.792 262 HB3 SER 33 1HB SER 33 0.943 10.969 4.606 263 HG SER 33 HG SER 33 2.177 13.158 3.276 264 H MET 34 H MET 34 1.214 8.551 3.425 265 HA MET 34 HA MET 34 4.095 8.184 3.178 266 HB2 MET 34 2HB MET 34 1.899 6.266 4.121 267 HB3 MET 34 1HB MET 34 3.615 5.901 4.162 268 HG2 MET 34 2HG MET 34 4.029 7.473 5.895 269 HG3 MET 34 1HG MET 34 2.478 8.264 5.662 270 HE1 MET 34 1HE MET 34 4.200 4.913 6.704 271 HE2 MET 34 2HE MET 34 2.928 4.371 5.607 272 HE3 MET 34 3HE MET 34 2.830 3.993 7.323 273 H LEU 35 H LEU 35 1.177 7.041 1.567 274 HA LEU 35 HA LEU 35 2.450 4.963 0.027 275 HB2 LEU 35 2HB LEU 35 -0.120 5.198 0.659 276 HB3 LEU 35 1HB LEU 35 -0.223 6.218 -0.753 277 HG LEU 35 HG LEU 35 0.695 3.305 -0.927 278 HD11 LEU 35 1HD1 LEU 35 -2.139 4.357 -1.226 279 HD12 LEU 35 2HD1 LEU 35 -1.529 3.322 0.064 280 HD13 LEU 35 3HD1 LEU 35 -1.589 2.715 -1.582 281 HD21 LEU 35 1HD2 LEU 35 -0.008 3.513 -3.277 282 HD22 LEU 35 2HD2 LEU 35 1.267 4.656 -2.870 283 HD23 LEU 35 3HD2 LEU 35 -0.399 5.216 -3.014 284 H ALA 36 H ALA 36 1.727 8.356 -0.433 285 HA ALA 36 HA ALA 36 2.216 8.612 -3.198 286 HB1 ALA 36 1HB ALA 36 1.018 10.327 -1.926 287 HB2 ALA 36 2HB ALA 36 2.413 11.028 -2.748 288 HB3 ALA 36 3HB ALA 36 2.484 10.699 -1.013 289 H THR 37 H THR 37 4.305 9.072 -0.330 290 HA THR 37 HA THR 37 6.741 9.681 -1.567 291 HB THR 37 HB THR 37 6.366 7.971 0.945 292 HG1 THR 37 HG1 THR 37 5.701 9.736 1.852 293 HG21 THR 37 1HG2 THR 37 8.717 8.007 0.100 294 HG22 THR 37 2HG2 THR 37 8.555 8.856 1.638 295 HG23 THR 37 3HG2 THR 37 8.694 9.769 0.133 296 H ALA 38 H ALA 38 5.287 6.572 -0.727 297 HA ALA 38 HA ALA 38 7.365 4.882 -1.600 298 HB1 ALA 38 1HB ALA 38 5.649 3.087 -1.408 299 HB2 ALA 38 2HB ALA 38 4.422 4.326 -1.138 300 HB3 ALA 38 3HB ALA 38 5.744 4.132 0.003 301 H LEU 39 H LEU 39 4.710 6.354 -3.405 302 HA LEU 39 HA LEU 39 5.060 4.765 -5.799 303 HB2 LEU 39 2HB LEU 39 3.835 7.545 -5.543 304 HB3 LEU 39 1HB LEU 39 3.675 6.495 -6.934 305 HG LEU 39 HG LEU 39 2.474 5.861 -4.216 306 HD11 LEU 39 1HD1 LEU 39 1.480 7.889 -5.024 307 HD12 LEU 39 2HD1 LEU 39 0.326 6.563 -5.086 308 HD13 LEU 39 3HD1 LEU 39 1.103 7.125 -6.571 309 HD21 LEU 39 1HD2 LEU 39 2.705 3.821 -5.448 310 HD22 LEU 39 2HD2 LEU 39 2.060 4.570 -6.908 311 HD23 LEU 39 3HD2 LEU 39 1.018 4.304 -5.515 312 H GLU 40 H GLU 40 6.370 7.806 -4.584 313 HA GLU 40 HA GLU 40 7.789 8.532 -6.970 314 HB2 GLU 40 2HB GLU 40 8.256 9.452 -4.097 315 HB3 GLU 40 1HB GLU 40 8.952 10.191 -5.535 316 HG2 GLU 40 2HG GLU 40 6.026 10.117 -4.760 317 HG3 GLU 40 1HG GLU 40 7.089 11.524 -4.761 318 H LYS 41 H LYS 41 8.485 6.512 -4.230 319 HA LYS 41 HA LYS 41 11.324 6.257 -4.707 320 HB2 LYS 41 2HB LYS 41 9.395 4.698 -2.932 321 HB3 LYS 41 1HB LYS 41 11.135 4.430 -2.959 322 HG2 LYS 41 2HG LYS 41 9.765 7.022 -2.205 323 HG3 LYS 41 1HG LYS 41 10.372 5.813 -1.056 324 HD2 LYS 41 2HD LYS 41 12.703 6.159 -1.925 325 HD3 LYS 41 1HD LYS 41 12.107 7.319 -3.098 326 HE2 LYS 41 2HE LYS 41 11.657 8.967 -1.297 327 HE3 LYS 41 1HE LYS 41 12.126 7.786 -0.057 328 HZ1 LYS 41 1HZ LYS 41 13.900 8.857 -2.191 329 HZ2 LYS 41 2HZ LYS 41 14.349 7.736 -1.010 330 HZ3 LYS 41 3HZ LYS 41 13.921 9.307 -0.564 331 H ASP 42 H ASP 42 12.368 4.606 -5.774 332 HA ASP 42 HA ASP 42 11.072 3.027 -7.739 333 HB2 ASP 42 2HB ASP 42 13.877 2.769 -6.570 334 HB3 ASP 42 1HB ASP 42 13.301 1.843 -7.950 335 H ILE 43 H ILE 43 9.557 1.690 -6.949 336 HA ILE 43 HA ILE 43 10.222 -0.287 -4.849 337 HB ILE 43 HB ILE 43 7.706 -0.658 -4.730 338 HG12 ILE 43 2HG1 ILE 43 7.643 1.841 -6.489 339 HG13 ILE 43 1HG1 ILE 43 6.985 0.261 -6.888 340 HG21 ILE 43 1HG2 ILE 43 8.706 2.115 -4.036 341 HG22 ILE 43 2HG2 ILE 43 8.915 0.659 -3.059 342 HG23 ILE 43 3HG2 ILE 43 7.300 1.321 -3.326 343 HD11 ILE 43 1HD1 ILE 43 5.966 2.155 -4.780 344 HD12 ILE 43 2HD1 ILE 43 5.322 0.540 -5.086 345 HD13 ILE 43 3HD1 ILE 43 5.220 1.784 -6.333 346 H SER 44 H SER 44 9.491 -2.432 -5.142 347 HA SER 44 HA SER 44 10.373 -3.609 -7.558 348 HB2 SER 44 2HB SER 44 9.493 -5.753 -6.459 349 HB3 SER 44 1HB SER 44 10.626 -4.827 -5.504 350 HG SER 44 HG SER 44 8.607 -3.846 -4.571 351 H GLN 45 H GLN 45 9.255 -4.675 -9.257 352 HA GLN 45 HA GLN 45 7.250 -3.421 -10.511 353 HB2 GLN 45 2HB GLN 45 8.652 -5.061 -11.625 354 HB3 GLN 45 1HB GLN 45 7.938 -6.380 -10.709 355 HG2 GLN 45 2HG GLN 45 5.769 -5.969 -11.842 356 HG3 GLN 45 1HG GLN 45 6.519 -4.681 -12.785 357 HE21 GLN 45 1HE2 GLN 45 6.423 -8.130 -12.220 358 HE22 GLN 45 2HE2 GLN 45 7.179 -8.592 -13.702 359 H GLU 46 H GLU 46 6.673 -6.037 -8.157 360 HA GLU 46 HA GLU 46 3.838 -6.208 -8.875 361 HB2 GLU 46 2HB GLU 46 5.440 -7.766 -6.811 362 HB3 GLU 46 1HB GLU 46 3.735 -8.028 -7.170 363 HG2 GLU 46 2HG GLU 46 6.082 -8.508 -9.021 364 HG3 GLU 46 1HG GLU 46 5.037 -9.716 -8.281 365 H GLU 47 H GLU 47 5.857 -4.717 -6.541 366 HA GLU 47 HA GLU 47 3.797 -4.121 -4.594 367 HB2 GLU 47 2HB GLU 47 6.092 -4.363 -3.827 368 HB3 GLU 47 1HB GLU 47 6.677 -3.158 -4.957 369 HG2 GLU 47 2HG GLU 47 5.651 -1.381 -3.684 370 HG3 GLU 47 1HG GLU 47 4.835 -2.531 -2.626 371 H ARG 48 H ARG 48 5.373 -2.565 -7.321 372 HA ARG 48 HA ARG 48 4.202 0.005 -7.139 373 HB2 ARG 48 2HB ARG 48 6.214 -0.560 -8.527 374 HB3 ARG 48 1HB ARG 48 5.173 -1.462 -9.622 375 HG2 ARG 48 2HG ARG 48 3.952 0.613 -10.175 376 HG3 ARG 48 1HG ARG 48 4.997 1.519 -9.076 377 HD2 ARG 48 2HD ARG 48 6.968 0.804 -10.474 378 HD3 ARG 48 1HD ARG 48 5.826 0.063 -11.602 379 HE ARG 48 HE ARG 48 4.854 2.435 -11.749 380 HH11 ARG 48 1HH1 ARG 48 8.304 1.768 -11.307 381 HH12 ARG 48 2HH1 ARG 48 8.805 3.230 -12.096 382 HH21 ARG 48 1HH2 ARG 48 5.550 4.320 -12.803 383 HH22 ARG 48 2HH2 ARG 48 7.245 4.669 -12.939 384 H ASN 49 H ASN 49 3.375 -2.989 -8.781 385 HA ASN 49 HA ASN 49 0.978 -2.273 -10.045 386 HB2 ASN 49 2HB ASN 49 2.360 -4.345 -10.402 387 HB3 ASN 49 1HB ASN 49 1.764 -4.979 -8.874 388 HD21 ASN 49 1HD2 ASN 49 1.560 -6.060 -11.544 389 HD22 ASN 49 2HD2 ASN 49 -0.128 -6.268 -11.868 390 H ALA 50 H ALA 50 1.621 -3.570 -6.775 391 HA ALA 50 HA ALA 50 -1.034 -3.839 -5.889 392 HB1 ALA 50 1HB ALA 50 -0.093 -4.000 -3.637 393 HB2 ALA 50 2HB ALA 50 1.451 -3.360 -4.211 394 HB3 ALA 50 3HB ALA 50 0.871 -4.925 -4.788 395 H LEU 51 H LEU 51 1.264 -1.114 -5.401 396 HA LEU 51 HA LEU 51 -0.619 0.434 -3.880 397 HB2 LEU 51 2HB LEU 51 1.980 1.374 -5.156 398 HB3 LEU 51 1HB LEU 51 1.056 2.255 -3.964 399 HG LEU 51 HG LEU 51 2.705 -0.267 -3.508 400 HD11 LEU 51 1HD1 LEU 51 3.980 1.850 -3.626 401 HD12 LEU 51 2HD1 LEU 51 4.053 1.132 -2.027 402 HD13 LEU 51 3HD1 LEU 51 3.000 2.518 -2.323 403 HD21 LEU 51 1HD2 LEU 51 0.836 -0.592 -2.055 404 HD22 LEU 51 2HD2 LEU 51 0.842 1.098 -1.539 405 HD23 LEU 51 3HD2 LEU 51 2.150 0.018 -1.062 406 H ASN 52 H ASN 52 0.072 0.166 -7.284 407 HA ASN 52 HA ASN 52 -1.308 2.535 -8.094 408 HB2 ASN 52 2HB ASN 52 -0.485 0.059 -9.622 409 HB3 ASN 52 1HB ASN 52 -1.487 1.297 -10.370 410 HD21 ASN 52 1HD2 ASN 52 -0.001 2.007 -11.849 411 HD22 ASN 52 2HD2 ASN 52 1.483 2.785 -11.445 412 H ILE 53 H ILE 53 -2.277 -0.858 -7.724 413 HA ILE 53 HA ILE 53 -5.010 -0.568 -8.498 414 HB ILE 53 HB ILE 53 -3.602 -2.666 -6.790 415 HG12 ILE 53 2HG1 ILE 53 -4.669 -2.765 -9.664 416 HG13 ILE 53 1HG1 ILE 53 -2.979 -2.655 -9.198 417 HG21 ILE 53 1HG2 ILE 53 -5.911 -2.632 -6.021 418 HG22 ILE 53 2HG2 ILE 53 -5.665 -4.073 -7.002 419 HG23 ILE 53 3HG2 ILE 53 -6.514 -2.684 -7.679 420 HD11 ILE 53 1HD1 ILE 53 -4.799 -4.983 -8.622 421 HD12 ILE 53 2HD1 ILE 53 -3.093 -4.856 -8.172 422 HD13 ILE 53 3HD1 ILE 53 -3.560 -4.896 -9.874 423 H ALA 54 H ALA 54 -3.275 -0.273 -5.455 424 HA ALA 54 HA ALA 54 -5.384 -0.054 -3.624 425 HB1 ALA 54 1HB ALA 54 -3.015 -0.357 -2.971 426 HB2 ALA 54 2HB ALA 54 -3.747 1.012 -2.133 427 HB3 ALA 54 3HB ALA 54 -2.653 1.291 -3.490 428 H GLU 55 H GLU 55 -3.522 2.483 -5.324 429 HA GLU 55 HA GLU 55 -4.888 4.674 -4.201 430 HB2 GLU 55 2HB GLU 55 -2.635 4.947 -4.999 431 HB3 GLU 55 1HB GLU 55 -3.105 4.493 -6.633 432 HG2 GLU 55 2HG GLU 55 -4.376 6.503 -6.931 433 HG3 GLU 55 1HG GLU 55 -4.198 6.936 -5.238 434 H LYS 56 H LYS 56 -5.297 3.049 -7.369 435 HA LYS 56 HA LYS 56 -7.056 5.006 -8.452 436 HB2 LYS 56 2HB LYS 56 -6.664 2.100 -9.213 437 HB3 LYS 56 1HB LYS 56 -7.744 3.170 -10.090 438 HG2 LYS 56 2HG LYS 56 -4.741 3.542 -9.800 439 HG3 LYS 56 1HG LYS 56 -5.590 2.950 -11.230 440 HD2 LYS 56 2HD LYS 56 -6.759 5.108 -11.454 441 HD3 LYS 56 1HD LYS 56 -5.967 5.705 -9.992 442 HE2 LYS 56 2HE LYS 56 -3.766 5.514 -11.106 443 HE3 LYS 56 1HE LYS 56 -4.561 4.922 -12.568 444 HZ1 LYS 56 1HZ LYS 56 -4.088 7.259 -12.757 445 HZ2 LYS 56 2HZ LYS 56 -4.929 7.604 -11.338 446 HZ3 LYS 56 3HZ LYS 56 -5.762 7.043 -12.698 447 H ALA 57 H ALA 57 -7.588 2.317 -6.316 448 HA ALA 57 HA ALA 57 -10.498 2.456 -6.433 449 HB1 ALA 57 1HB ALA 57 -8.609 0.858 -4.665 450 HB2 ALA 57 2HB ALA 57 -9.484 0.284 -6.082 451 HB3 ALA 57 3HB ALA 57 -10.369 0.733 -4.631 452 H LEU 58 H LEU 58 -7.852 3.703 -4.369 453 HA LEU 58 HA LEU 58 -9.433 4.811 -2.280 454 HB2 LEU 58 2HB LEU 58 -6.857 5.958 -3.441 455 HB3 LEU 58 1HB LEU 58 -7.571 6.478 -1.934 456 HG LEU 58 HG LEU 58 -6.263 3.741 -2.431 457 HD11 LEU 58 1HD1 LEU 58 -4.411 4.373 -0.972 458 HD12 LEU 58 2HD1 LEU 58 -5.065 5.995 -0.787 459 HD13 LEU 58 3HD1 LEU 58 -4.494 5.440 -2.368 460 HD21 LEU 58 1HD2 LEU 58 -6.236 3.435 0.083 461 HD22 LEU 58 2HD2 LEU 58 -7.807 3.270 -0.650 462 HD23 LEU 58 3HD2 LEU 58 -7.389 4.759 0.212 463 H ASP 59 H ASP 59 -8.605 6.027 -5.496 464 HA ASP 59 HA ASP 59 -9.652 8.645 -5.276 465 HB2 ASP 59 2HB ASP 59 -9.402 6.876 -7.749 466 HB3 ASP 59 1HB ASP 59 -9.790 8.593 -7.791 467 H ASN 60 H ASN 60 -11.128 5.568 -6.164 468 HA ASN 60 HA ASN 60 -13.751 6.760 -6.622 469 HB2 ASN 60 2HB ASN 60 -12.867 3.820 -6.742 470 HB3 ASN 60 1HB ASN 60 -14.473 4.431 -7.150 471 HD21 ASN 60 1HD2 ASN 60 -14.297 3.686 -9.270 472 HD22 ASN 60 2HD2 ASN 60 -13.270 4.417 -10.444 473 H SER 61 H SER 61 -11.973 5.585 -3.971 474 HA SER 61 HA SER 61 -12.384 5.068 -1.814 475 HB2 SER 61 2HB SER 61 -14.589 7.121 -2.289 476 HB3 SER 61 1HB SER 61 -14.008 6.615 -0.703 477 HG SER 61 HG SER 61 -11.843 7.288 -1.683 478 H GLU 62 H GLU 62 -13.154 2.905 -2.930 479 HA GLU 62 HA GLU 62 -15.932 2.309 -2.881 480 HB2 GLU 62 2HB GLU 62 -13.483 0.500 -3.076 481 HB3 GLU 62 1HB GLU 62 -15.130 -0.125 -3.099 482 HG2 GLU 62 2HG GLU 62 -13.935 1.840 -5.072 483 HG3 GLU 62 1HG GLU 62 -14.202 0.123 -5.356 484 H TYR 63 H TYR 63 -13.463 0.802 -0.671 485 HA TYR 63 HA TYR 63 -14.817 1.814 1.648 486 HB2 TYR 63 2HB TYR 63 -14.544 -1.201 1.241 487 HB3 TYR 63 1HB TYR 63 -14.859 -0.464 2.798 488 HD1 TYR 63 HD1 TYR 63 -16.327 -1.689 -0.288 489 HD2 TYR 63 HD2 TYR 63 -17.064 0.766 3.135 490 HE1 TYR 63 HE1 TYR 63 -18.739 -1.793 -0.733 491 HE2 TYR 63 HE2 TYR 63 -19.471 0.663 2.678 492 HH TYR 63 HH TYR 63 -20.848 -1.532 0.495 493 H LEU 64 H LEU 64 -13.487 1.547 3.553 494 HA LEU 64 HA LEU 64 -10.658 1.863 2.804 495 HB2 LEU 64 2HB LEU 64 -12.164 2.801 5.229 496 HB3 LEU 64 1HB LEU 64 -10.544 2.265 5.543 497 HG LEU 64 HG LEU 64 -10.660 4.685 5.396 498 HD11 LEU 64 1HD1 LEU 64 -8.759 5.150 4.091 499 HD12 LEU 64 2HD1 LEU 64 -9.039 3.807 3.005 500 HD13 LEU 64 3HD1 LEU 64 -8.577 3.500 4.675 501 HD21 LEU 64 1HD2 LEU 64 -11.065 5.971 3.369 502 HD22 LEU 64 2HD2 LEU 64 -12.505 5.106 3.858 503 HD23 LEU 64 3HD2 LEU 64 -11.544 4.527 2.493 504 HA PRO 65 HA PRO 65 -10.526 -2.097 5.805 505 HB2 PRO 65 2HB PRO 65 -13.413 -2.908 5.307 506 HB3 PRO 65 1HB PRO 65 -12.382 -3.188 6.729 507 HG2 PRO 65 2HG PRO 65 -14.239 -1.330 6.834 508 HG3 PRO 65 1HG PRO 65 -12.626 -0.987 7.513 509 HD2 PRO 65 2HD PRO 65 -13.798 -0.105 4.875 510 HD3 PRO 65 1HD PRO 65 -12.822 0.818 6.043 511 H LYS 66 H LYS 66 -12.179 -1.573 2.719 512 HA LYS 66 HA LYS 66 -11.858 -4.306 1.792 513 HB2 LYS 66 2HB LYS 66 -13.807 -3.002 1.026 514 HB3 LYS 66 1HB LYS 66 -12.762 -1.814 0.270 515 HG2 LYS 66 2HG LYS 66 -13.769 -3.314 -1.384 516 HG3 LYS 66 1HG LYS 66 -12.011 -3.480 -1.368 517 HD2 LYS 66 2HD LYS 66 -12.183 -5.558 -0.076 518 HD3 LYS 66 1HD LYS 66 -13.937 -5.369 0.048 519 HE2 LYS 66 2HE LYS 66 -13.240 -7.015 -1.688 520 HE3 LYS 66 1HE LYS 66 -14.196 -5.688 -2.343 521 HZ1 LYS 66 1HZ LYS 66 -11.233 -5.741 -2.426 522 HZ2 LYS 66 2HZ LYS 66 -12.275 -4.705 -3.266 523 HZ3 LYS 66 3HZ LYS 66 -12.206 -6.345 -3.665 524 H ILE 67 H ILE 67 -10.335 -1.129 1.177 525 HA ILE 67 HA ILE 67 -8.444 -2.239 -0.729 526 HB ILE 67 HB ILE 67 -8.445 0.502 0.616 527 HG12 ILE 67 2HG1 ILE 67 -9.668 -0.453 -2.017 528 HG13 ILE 67 1HG1 ILE 67 -10.548 0.085 -0.597 529 HG21 ILE 67 1HG2 ILE 67 -7.017 -0.457 -1.912 530 HG22 ILE 67 2HG2 ILE 67 -6.243 -0.071 -0.373 531 HG23 ILE 67 3HG2 ILE 67 -7.034 1.196 -1.301 532 HD11 ILE 67 1HD1 ILE 67 -8.709 1.852 -2.179 533 HD12 ILE 67 2HD1 ILE 67 -9.817 2.315 -0.892 534 HD13 ILE 67 3HD1 ILE 67 -10.444 1.732 -2.426 535 H ILE 68 H ILE 68 -8.458 -1.490 2.717 536 HA ILE 68 HA ILE 68 -5.691 -1.850 3.226 537 HB ILE 68 HB ILE 68 -8.151 -1.995 4.997 538 HG12 ILE 68 2HG1 ILE 68 -5.743 -0.097 5.001 539 HG13 ILE 68 1HG1 ILE 68 -7.295 0.252 4.247 540 HG21 ILE 68 1HG2 ILE 68 -5.304 -2.586 5.860 541 HG22 ILE 68 2HG2 ILE 68 -6.690 -3.666 5.953 542 HG23 ILE 68 3HG2 ILE 68 -6.626 -2.230 6.974 543 HD11 ILE 68 1HD1 ILE 68 -6.754 -0.119 7.180 544 HD12 ILE 68 2HD1 ILE 68 -8.357 0.052 6.465 545 HD13 ILE 68 3HD1 ILE 68 -7.197 1.366 6.337 546 H LEU 69 H LEU 69 -8.511 -4.085 3.394 547 HA LEU 69 HA LEU 69 -7.155 -6.468 3.937 548 HB2 LEU 69 2HB LEU 69 -9.634 -6.295 3.905 549 HB3 LEU 69 1HB LEU 69 -9.593 -6.049 2.163 550 HG LEU 69 HG LEU 69 -8.786 -8.343 1.757 551 HD11 LEU 69 1HD1 LEU 69 -8.451 -10.025 3.487 552 HD12 LEU 69 2HD1 LEU 69 -8.729 -8.834 4.754 553 HD13 LEU 69 3HD1 LEU 69 -7.333 -8.681 3.681 554 HD21 LEU 69 1HD2 LEU 69 -11.169 -8.565 3.653 555 HD22 LEU 69 2HD2 LEU 69 -10.649 -9.757 2.467 556 HD23 LEU 69 3HD2 LEU 69 -11.253 -8.204 1.921 557 H ASN 70 H ASN 70 -7.936 -4.961 0.804 558 HA ASN 70 HA ASN 70 -6.897 -6.891 -0.914 559 HB2 ASN 70 2HB ASN 70 -8.448 -5.235 -1.727 560 HB3 ASN 70 1HB ASN 70 -7.371 -3.906 -1.318 561 HD21 ASN 70 1HD2 ASN 70 -5.832 -3.305 -2.809 562 HD22 ASN 70 2HD2 ASN 70 -5.631 -4.053 -4.352 563 H LEU 71 H LEU 71 -5.256 -4.144 0.611 564 HA LEU 71 HA LEU 71 -2.859 -4.374 -0.950 565 HB2 LEU 71 2HB LEU 71 -3.730 -2.246 0.160 566 HB3 LEU 71 1HB LEU 71 -3.289 -2.921 1.701 567 HG LEU 71 HG LEU 71 -1.757 -1.109 0.792 568 HD11 LEU 71 1HD1 LEU 71 0.354 -2.101 1.513 569 HD12 LEU 71 2HD1 LEU 71 -0.379 -3.707 1.481 570 HD13 LEU 71 3HD1 LEU 71 -0.973 -2.486 2.603 571 HD21 LEU 71 1HD2 LEU 71 -0.152 -1.488 -0.898 572 HD22 LEU 71 2HD2 LEU 71 -1.697 -1.933 -1.595 573 HD23 LEU 71 3HD2 LEU 71 -0.567 -3.187 -1.066 574 H ARG 72 H ARG 72 -4.023 -5.441 2.195 575 HA ARG 72 HA ARG 72 -1.598 -6.742 3.016 576 HB2 ARG 72 2HB ARG 72 -3.350 -6.044 4.671 577 HB3 ARG 72 1HB ARG 72 -4.449 -7.262 4.047 578 HG2 ARG 72 2HG ARG 72 -2.807 -9.019 4.712 579 HG3 ARG 72 1HG ARG 72 -1.788 -7.757 5.418 580 HD2 ARG 72 2HD ARG 72 -3.107 -8.805 7.162 581 HD3 ARG 72 1HD ARG 72 -3.664 -7.146 6.932 582 HE ARG 72 HE ARG 72 -5.109 -9.288 5.559 583 HH11 ARG 72 1HH1 ARG 72 -5.069 -6.953 8.205 584 HH12 ARG 72 2HH1 ARG 72 -6.770 -7.094 8.500 585 HH21 ARG 72 1HH2 ARG 72 -7.320 -9.476 6.013 586 HH22 ARG 72 2HH2 ARG 72 -8.035 -8.512 7.265 587 H LYS 73 H LYS 73 -4.236 -7.637 0.865 588 HA LYS 73 HA LYS 73 -3.743 -10.509 1.019 589 HB2 LYS 73 2HB LYS 73 -5.541 -8.845 -0.816 590 HB3 LYS 73 1HB LYS 73 -5.390 -10.594 -0.932 591 HG2 LYS 73 2HG LYS 73 -6.366 -9.128 1.522 592 HG3 LYS 73 1HG LYS 73 -7.419 -9.786 0.279 593 HD2 LYS 73 2HD LYS 73 -5.463 -11.541 1.790 594 HD3 LYS 73 1HD LYS 73 -7.054 -11.153 2.441 595 HE2 LYS 73 2HE LYS 73 -7.153 -13.301 1.326 596 HE3 LYS 73 1HE LYS 73 -8.100 -12.134 0.401 597 HZ1 LYS 73 1HZ LYS 73 -6.628 -13.650 -0.901 598 HZ2 LYS 73 2HZ LYS 73 -5.304 -12.816 -0.272 599 HZ3 LYS 73 3HZ LYS 73 -6.436 -12.010 -1.231 600 H ALA 74 H ALA 74 -2.790 -7.740 -0.861 601 HA ALA 74 HA ALA 74 -1.529 -9.240 -2.974 602 HB1 ALA 74 1HB ALA 74 -0.678 -7.022 -3.703 603 HB2 ALA 74 2HB ALA 74 -1.351 -6.289 -2.244 604 HB3 ALA 74 3HB ALA 74 -2.420 -7.017 -3.435 605 H LEU 75 H LEU 75 -0.469 -7.691 0.099 606 HA LEU 75 HA LEU 75 2.309 -8.217 -0.605 607 HB2 LEU 75 2HB LEU 75 1.261 -6.763 1.849 608 HB3 LEU 75 1HB LEU 75 2.949 -6.943 1.432 609 HG LEU 75 HG LEU 75 0.884 -5.140 0.146 610 HD11 LEU 75 1HD1 LEU 75 2.530 -3.370 0.619 611 HD12 LEU 75 2HD1 LEU 75 3.611 -4.565 1.339 612 HD13 LEU 75 3HD1 LEU 75 2.044 -4.233 2.072 613 HD21 LEU 75 1HD2 LEU 75 2.619 -4.425 -1.529 614 HD22 LEU 75 2HD2 LEU 75 1.944 -6.010 -1.832 615 HD23 LEU 75 3HD2 LEU 75 3.559 -5.859 -1.116 616 H THR 76 H THR 76 -0.012 -9.564 1.709 617 HA THR 76 HA THR 76 1.846 -10.746 3.447 618 HB THR 76 HB THR 76 -0.965 -11.797 2.860 619 HG1 THR 76 HG1 THR 76 -0.009 -9.691 4.244 620 HG21 THR 76 1HG2 THR 76 -0.795 -12.928 5.049 621 HG22 THR 76 2HG2 THR 76 0.890 -12.429 5.185 622 HG23 THR 76 3HG2 THR 76 0.404 -13.561 3.922 623 HA PRO 77 HA PRO 77 1.763 -14.848 0.685 624 HB2 PRO 77 2HB PRO 77 1.372 -13.719 -2.085 625 HB3 PRO 77 1HB PRO 77 0.723 -15.209 -1.364 626 HG2 PRO 77 2HG PRO 77 -0.865 -13.134 -1.750 627 HG3 PRO 77 1HG PRO 77 -1.000 -14.100 -0.264 628 HD2 PRO 77 2HD PRO 77 0.359 -11.430 -0.655 629 HD3 PRO 77 1HD PRO 77 -0.745 -11.968 0.626 630 H LEU 78 H LEU 78 2.882 -11.803 -0.813 631 HA LEU 78 HA LEU 78 5.324 -12.869 -1.826 632 HB2 LEU 78 2HB LEU 78 4.862 -9.931 -1.152 633 HB3 LEU 78 1HB LEU 78 6.069 -10.579 -2.248 634 HG LEU 78 HG LEU 78 3.052 -10.600 -2.741 635 HD11 LEU 78 1HD1 LEU 78 5.130 -8.904 -4.156 636 HD12 LEU 78 2HD1 LEU 78 4.054 -8.320 -2.893 637 HD13 LEU 78 3HD1 LEU 78 3.385 -8.898 -4.409 638 HD21 LEU 78 1HD2 LEU 78 4.003 -12.517 -3.890 639 HD22 LEU 78 2HD2 LEU 78 5.279 -11.528 -4.598 640 HD23 LEU 78 3HD2 LEU 78 3.602 -11.282 -5.075 641 H ALA 79 H ALA 79 4.358 -11.553 1.228 642 HA ALA 79 HA ALA 79 6.969 -11.143 2.325 643 HB1 ALA 79 1HB ALA 79 5.006 -9.976 3.220 644 HB2 ALA 79 2HB ALA 79 5.796 -10.925 4.481 645 HB3 ALA 79 3HB ALA 79 4.308 -11.514 3.734 646 H ILE 80 H ILE 80 4.563 -13.760 2.541 647 HA ILE 80 HA ILE 80 6.020 -15.530 4.212 648 HB ILE 80 HB ILE 80 3.821 -16.164 2.178 649 HG12 ILE 80 2HG1 ILE 80 3.593 -15.712 5.212 650 HG13 ILE 80 1HG1 ILE 80 3.117 -14.554 3.978 651 HG21 ILE 80 1HG2 ILE 80 3.463 -18.278 3.453 652 HG22 ILE 80 2HG2 ILE 80 4.885 -17.914 4.437 653 HG23 ILE 80 3HG2 ILE 80 5.062 -18.208 2.709 654 HD11 ILE 80 1HD1 ILE 80 1.874 -17.259 4.432 655 HD12 ILE 80 2HD1 ILE 80 1.409 -16.109 3.176 656 HD13 ILE 80 3HD1 ILE 80 1.199 -15.691 4.875 657 H ASN 81 H ASN 81 5.871 -15.136 0.689 658 HA ASN 81 HA ASN 81 7.773 -17.283 0.158 659 HB2 ASN 81 2HB ASN 81 6.261 -15.358 -1.651 660 HB3 ASN 81 1HB ASN 81 7.579 -16.340 -2.280 661 HD21 ASN 81 1HD2 ASN 81 4.305 -16.366 -1.168 662 HD22 ASN 81 2HD2 ASN 81 3.965 -18.009 -1.562 663 H ARG 82 H ARG 82 8.108 -14.061 1.192 664 HA ARG 82 HA ARG 82 10.009 -13.009 1.870 665 HB2 ARG 82 2HB ARG 82 11.479 -15.499 0.867 666 HB3 ARG 82 1HB ARG 82 12.182 -14.260 1.894 667 HG2 ARG 82 2HG ARG 82 10.663 -14.907 3.733 668 HG3 ARG 82 1HG ARG 82 9.907 -16.114 2.694 669 HD2 ARG 82 2HD ARG 82 12.113 -17.288 2.508 670 HD3 ARG 82 1HD ARG 82 12.796 -16.130 3.661 671 HE ARG 82 HE ARG 82 10.609 -17.158 4.939 672 HH11 ARG 82 1HH1 ARG 82 13.510 -18.585 3.538 673 HH12 ARG 82 2HH1 ARG 82 13.525 -19.924 4.643 674 HH21 ARG 82 1HH2 ARG 82 10.637 -18.943 6.369 675 HH22 ARG 82 2HH2 ARG 82 11.902 -20.123 6.235 676 H THR 83 H THR 83 9.055 -12.479 -0.858 677 HA THR 83 HA THR 83 11.605 -11.623 -2.130 678 HB THR 83 HB THR 83 10.524 -13.467 -3.405 679 HG1 THR 83 HG1 THR 83 10.453 -10.961 -4.788 680 HG21 THR 83 1HG2 THR 83 8.185 -13.007 -2.895 681 HG22 THR 83 2HG2 THR 83 8.435 -13.068 -4.638 682 HG23 THR 83 3HG2 THR 83 8.240 -11.514 -3.816 683 H LEU 84 H LEU 84 9.337 -10.332 -0.342 684 HA LEU 84 HA LEU 84 8.636 -7.942 -1.900 685 HB2 LEU 84 2HB LEU 84 7.140 -9.070 -0.196 686 HB3 LEU 84 1HB LEU 84 8.235 -8.561 1.071 687 HG LEU 84 HG LEU 84 6.763 -6.543 -0.688 688 HD11 LEU 84 1HD1 LEU 84 5.772 -7.691 1.948 689 HD12 LEU 84 2HD1 LEU 84 5.102 -8.016 0.350 690 HD13 LEU 84 3HD1 LEU 84 5.020 -6.392 1.014 691 HD21 LEU 84 1HD2 LEU 84 8.628 -5.608 0.628 692 HD22 LEU 84 2HD2 LEU 84 7.917 -6.243 2.109 693 HD23 LEU 84 3HD2 LEU 84 7.072 -5.000 1.182 694 H ASN 85 H ASN 85 9.792 -6.020 -1.831 695 HA ASN 85 HA ASN 85 12.538 -6.144 -1.290 696 HB2 ASN 85 2HB ASN 85 11.554 -4.466 -2.955 697 HB3 ASN 85 1HB ASN 85 11.068 -3.456 -1.585 698 HD21 ASN 85 1HD2 ASN 85 12.462 -1.747 -2.044 699 HD22 ASN 85 2HD2 ASN 85 14.181 -1.852 -1.986 700 H HIS 86 H HIS 86 9.989 -4.785 0.752 701 HA HIS 86 HA HIS 86 9.797 -4.730 3.015 702 HB2 HIS 86 2HB HIS 86 11.223 -6.800 2.983 703 HB3 HIS 86 1HB HIS 86 12.656 -5.801 3.134 704 HD1 HIS 86 HD1 HIS 86 13.064 -4.676 5.468 705 HD2 HIS 86 HD2 HIS 86 9.850 -7.306 5.336 706 HE1 HIS 86 HE1 HIS 86 12.478 -5.135 7.865 707 HE2 HIS 86 HE2 HIS 86 10.630 -6.836 7.753 708 H ASP 87 H ASP 87 11.629 -2.727 1.246 709 HA ASP 87 HA ASP 87 13.037 -1.229 3.256 710 HB2 ASP 87 2HB ASP 87 13.892 -1.309 0.919 711 HB3 ASP 87 1HB ASP 87 12.490 -0.446 0.319 712 H LEU 88 H LEU 88 9.714 -1.285 2.256 713 HA LEU 88 HA LEU 88 9.158 1.028 3.979 714 HB2 LEU 88 2HB LEU 88 7.101 1.510 2.566 715 HB3 LEU 88 1HB LEU 88 8.632 2.038 1.909 716 HG LEU 88 HG LEU 88 7.596 -0.643 0.955 717 HD11 LEU 88 1HD1 LEU 88 6.185 0.419 -0.743 718 HD12 LEU 88 2HD1 LEU 88 6.465 1.994 -0.010 719 HD13 LEU 88 3HD1 LEU 88 5.588 0.750 0.879 720 HD21 LEU 88 1HD2 LEU 88 9.802 0.269 0.215 721 HD22 LEU 88 2HD2 LEU 88 8.972 1.664 -0.480 722 HD23 LEU 88 3HD2 LEU 88 8.677 0.046 -1.123 723 H SER 89 H SER 89 9.396 -1.589 4.708 724 HA SER 89 HA SER 89 7.054 -3.137 4.767 725 HB2 SER 89 2HB SER 89 9.281 -4.010 5.301 726 HB3 SER 89 1HB SER 89 9.373 -2.993 6.743 727 HG SER 89 HG SER 89 8.244 -4.446 7.780 728 H GLU 90 H GLU 90 7.889 -0.267 6.483 729 HA GLU 90 HA GLU 90 6.242 -0.574 8.808 730 HB2 GLU 90 2HB GLU 90 7.480 1.898 7.529 731 HB3 GLU 90 1HB GLU 90 6.562 1.954 9.029 732 HG2 GLU 90 2HG GLU 90 8.245 0.552 10.150 733 HG3 GLU 90 1HG GLU 90 9.154 0.394 8.647 734 H LEU 91 H LEU 91 5.588 0.360 5.514 735 HA LEU 91 HA LEU 91 3.063 1.645 5.943 736 HB2 LEU 91 2HB LEU 91 4.317 1.902 3.832 737 HB3 LEU 91 1HB LEU 91 4.158 0.187 3.494 738 HG LEU 91 HG LEU 91 1.663 0.494 3.287 739 HD11 LEU 91 1HD1 LEU 91 2.242 3.463 3.513 740 HD12 LEU 91 2HD1 LEU 91 1.383 2.478 4.699 741 HD13 LEU 91 3HD1 LEU 91 0.693 2.718 3.102 742 HD21 LEU 91 1HD2 LEU 91 1.713 1.581 1.080 743 HD22 LEU 91 2HD2 LEU 91 3.080 0.493 1.280 744 HD23 LEU 91 3HD2 LEU 91 3.319 2.236 1.420 745 H TYR 92 H TYR 92 4.082 -1.656 5.283 746 HA TYR 92 HA TYR 92 1.525 -2.890 5.184 747 HB2 TYR 92 2HB TYR 92 3.525 -3.877 4.166 748 HB3 TYR 92 1HB TYR 92 4.308 -3.991 5.733 749 HD1 TYR 92 HD1 TYR 92 0.750 -5.025 5.012 750 HD2 TYR 92 HD2 TYR 92 4.771 -6.306 5.717 751 HE1 TYR 92 HE1 TYR 92 -0.011 -7.349 5.172 752 HE2 TYR 92 HE2 TYR 92 4.002 -8.622 5.888 753 HH TYR 92 HH TYR 92 2.001 -9.874 6.330 754 H LYS 93 H LYS 93 3.855 -2.215 7.722 755 HA LYS 93 HA LYS 93 2.495 -3.410 9.938 756 HB2 LYS 93 2HB LYS 93 4.911 -2.961 9.985 757 HB3 LYS 93 1HB LYS 93 4.638 -1.236 9.775 758 HG2 LYS 93 2HG LYS 93 3.529 -1.167 12.009 759 HG3 LYS 93 1HG LYS 93 3.888 -2.886 12.218 760 HD2 LYS 93 2HD LYS 93 6.313 -2.407 12.088 761 HD3 LYS 93 1HD LYS 93 5.973 -0.695 11.818 762 HE2 LYS 93 2HE LYS 93 5.012 -0.491 14.053 763 HE3 LYS 93 1HE LYS 93 5.198 -2.226 14.326 764 HZ1 LYS 93 1HZ LYS 93 6.972 -1.068 15.390 765 HZ2 LYS 93 2HZ LYS 93 7.383 -0.247 13.981 766 HZ3 LYS 93 3HZ LYS 93 7.624 -1.914 14.083 767 H PHE 94 H PHE 94 2.329 -0.314 8.316 768 HA PHE 94 HA PHE 94 1.043 1.194 10.350 769 HB2 PHE 94 2HB PHE 94 2.273 2.301 8.554 770 HB3 PHE 94 1HB PHE 94 1.205 1.619 7.336 771 HD1 PHE 94 HD1 PHE 94 -0.772 2.781 6.695 772 HD2 PHE 94 HD2 PHE 94 1.305 3.960 10.243 773 HE1 PHE 94 HE1 PHE 94 -2.192 4.782 6.867 774 HE2 PHE 94 HE2 PHE 94 -0.117 5.947 10.405 775 HZ PHE 94 HZ PHE 94 -1.858 6.361 8.720 776 H ILE 95 H ILE 95 -0.215 -0.625 7.505 777 HA ILE 95 HA ILE 95 -2.947 0.134 8.068 778 HB ILE 95 HB ILE 95 -3.677 -1.226 6.285 779 HG12 ILE 95 2HG1 ILE 95 -1.127 -2.878 6.589 780 HG13 ILE 95 1HG1 ILE 95 -2.793 -3.392 6.751 781 HG21 ILE 95 1HG2 ILE 95 -2.216 -0.606 4.386 782 HG22 ILE 95 2HG2 ILE 95 -0.918 -0.202 5.514 783 HG23 ILE 95 3HG2 ILE 95 -2.423 0.709 5.541 784 HD11 ILE 95 1HD1 ILE 95 -1.550 -2.545 4.157 785 HD12 ILE 95 2HD1 ILE 95 -3.150 -3.250 4.405 786 HD13 ILE 95 3HD1 ILE 95 -1.700 -4.202 4.725 787 H THR 96 H THR 96 -0.889 -1.893 9.732 788 HA THR 96 HA THR 96 -3.102 -3.439 10.948 789 HB THR 96 HB THR 96 -1.155 -4.942 11.816 790 HG1 THR 96 HG1 THR 96 0.133 -3.610 9.651 791 HG21 THR 96 1HG2 THR 96 -2.801 -5.646 10.055 792 HG22 THR 96 2HG2 THR 96 -1.209 -6.392 9.907 793 HG23 THR 96 3HG2 THR 96 -1.659 -5.072 8.840 794 H SER 97 H SER 97 -1.894 -0.672 11.388 795 HA SER 97 HA SER 97 -0.733 -0.655 14.007 796 HB2 SER 97 2HB SER 97 -0.356 1.185 12.407 797 HB3 SER 97 1HB SER 97 -2.080 1.555 12.382 798 HG SER 97 HG SER 97 -0.161 2.055 14.363 799 H SER 98 H SER 98 -1.771 0.416 15.866 800 HA SER 98 HA SER 98 -4.404 -0.388 16.557 801 HB2 SER 98 2HB SER 98 -2.773 0.081 18.295 802 HB3 SER 98 1HB SER 98 -2.527 1.723 17.705 803 HG SER 98 HG SER 98 -4.374 2.349 18.610 804 H LYS 99 H LYS 99 -3.082 2.395 14.893 805 HA LYS 99 HA LYS 99 -5.201 4.223 14.936 806 HB2 LYS 99 2HB LYS 99 -3.196 3.620 12.719 807 HB3 LYS 99 1HB LYS 99 -4.275 5.014 12.706 808 HG2 LYS 99 2HG LYS 99 -3.204 5.879 14.751 809 HG3 LYS 99 1HG LYS 99 -2.124 4.477 14.786 810 HD2 LYS 99 2HD LYS 99 -1.151 5.157 12.611 811 HD3 LYS 99 1HD LYS 99 -2.257 6.536 12.537 812 HE2 LYS 99 2HE LYS 99 -1.217 7.464 14.594 813 HE3 LYS 99 1HE LYS 99 -0.097 6.099 14.635 814 HZ1 LYS 99 1HZ LYS 99 0.881 8.075 13.637 815 HZ2 LYS 99 2HZ LYS 99 -0.297 8.084 12.436 816 HZ3 LYS 99 3HZ LYS 99 0.813 6.812 12.523 817 H ALA 100 H ALA 100 -4.823 1.248 13.062 818 HA ALA 100 HA ALA 100 -6.935 1.584 11.214 819 HB1 ALA 100 1HB ALA 100 -5.854 -1.013 12.385 820 HB2 ALA 100 2HB ALA 100 -5.250 -0.192 10.944 821 HB3 ALA 100 3HB ALA 100 -6.879 -0.870 10.952 822 H SER 101 H SER 101 -6.999 -0.542 14.124 823 HA SER 101 HA SER 101 -9.172 0.835 15.351 824 HB2 SER 101 2HB SER 101 -10.422 -0.465 13.552 825 HB3 SER 101 1HB SER 101 -9.897 -1.951 14.340 826 HG SER 101 HG SER 101 -11.634 0.057 15.300 827 H ASN 102 H ASN 102 -8.099 -2.569 15.191 828 HA ASN 102 HA ASN 102 -6.448 -2.325 17.568 829 HB2 ASN 102 2HB ASN 102 -8.704 -2.741 18.602 830 HB3 ASN 102 1HB ASN 102 -8.867 -4.220 17.666 831 HD21 ASN 102 1HD2 ASN 102 -9.101 -4.223 20.415 832 HD22 ASN 102 2HD2 ASN 102 -7.785 -5.092 21.112 833 H LYS 103 H LYS 103 -4.831 -2.960 16.192 834 HA LYS 103 HA LYS 103 -3.406 -4.269 15.083 835 HB2 LYS 103 2HB LYS 103 -3.865 -6.071 16.687 836 HB3 LYS 103 1HB LYS 103 -5.280 -6.569 15.771 837 HG2 LYS 103 2HG LYS 103 -3.381 -8.091 15.420 838 HG3 LYS 103 1HG LYS 103 -3.875 -7.310 13.915 839 HD2 LYS 103 2HD LYS 103 -1.979 -5.674 14.207 840 HD3 LYS 103 1HD LYS 103 -1.457 -6.590 15.627 841 HE2 LYS 103 2HE LYS 103 -0.174 -7.187 13.589 842 HE3 LYS 103 1HE LYS 103 -1.059 -8.569 14.235 843 HZ1 LYS 103 1HZ LYS 103 -2.721 -8.296 12.562 844 HZ2 LYS 103 2HZ LYS 103 -1.216 -8.356 11.808 845 HZ3 LYS 103 3HZ LYS 103 -2.009 -6.877 11.988 846 H ASN 104 H ASN 104 -6.809 -4.671 14.108 847 HA ASN 104 HA ASN 104 -6.010 -4.214 11.320 848 HB2 ASN 104 2HB ASN 104 -8.071 -6.346 12.106 849 HB3 ASN 104 1HB ASN 104 -7.564 -5.929 10.473 850 HD21 ASN 104 1HD2 ASN 104 -6.920 -7.824 13.241 851 HD22 ASN 104 2HD2 ASN 104 -5.515 -8.629 12.644 852 H LEU 105 H LEU 105 -8.109 -3.914 10.011 853 HA LEU 105 HA LEU 105 -10.536 -3.249 11.339 854 HB2 LEU 105 2HB LEU 105 -9.509 -1.012 11.515 855 HB3 LEU 105 1HB LEU 105 -8.992 -1.064 9.848 856 HG LEU 105 HG LEU 105 -11.694 -1.114 9.433 857 HD11 LEU 105 1HD1 LEU 105 -12.574 -0.989 11.641 858 HD12 LEU 105 2HD1 LEU 105 -12.744 0.622 10.979 859 HD13 LEU 105 3HD1 LEU 105 -11.436 0.276 12.108 860 HD21 LEU 105 1HD2 LEU 105 -11.614 1.335 9.058 861 HD22 LEU 105 2HD2 LEU 105 -10.216 0.502 8.405 862 HD23 LEU 105 3HD2 LEU 105 -10.069 1.402 9.911 863 H GLY 106 H GLY 106 -11.194 -4.992 10.205 864 HA2 GLY 106 2HA GLY 106 -12.688 -4.902 8.026 865 HA3 GLY 106 1HA GLY 106 -11.100 -5.106 7.290 866 H GLY 107 H GLY 107 -12.749 -7.063 6.697 867 HA2 GLY 107 2HA GLY 107 -12.561 -9.340 8.476 868 HA3 GLY 107 1HA GLY 107 -13.079 -9.354 6.793 869 H GLY 108 H GLY 108 -11.317 -11.267 7.996 870 HA2 GLY 108 2HA GLY 108 -8.751 -10.750 6.568 871 HA3 GLY 108 1HA GLY 108 -8.875 -11.631 8.086 872 H LEU 109 H LEU 109 -10.915 -11.874 5.165 873 HA LEU 109 HA LEU 109 -10.912 -14.719 5.150 874 HB2 LEU 109 2HB LEU 109 -12.651 -13.136 4.115 875 HB3 LEU 109 1HB LEU 109 -11.561 -12.920 2.767 876 HG LEU 109 HG LEU 109 -12.713 -15.651 3.538 877 HD11 LEU 109 1HD1 LEU 109 -13.824 -13.713 1.467 878 HD12 LEU 109 2HD1 LEU 109 -14.577 -14.138 3.005 879 HD13 LEU 109 3HD1 LEU 109 -14.387 -15.363 1.756 880 HD21 LEU 109 1HD2 LEU 109 -10.710 -15.805 2.119 881 HD22 LEU 109 2HD2 LEU 109 -11.441 -14.724 0.932 882 HD23 LEU 109 3HD2 LEU 109 -12.144 -16.316 1.229 883 H ILE 110 H ILE 110 -9.105 -15.848 4.817 884 HA ILE 110 HA ILE 110 -7.542 -15.429 2.352 885 HB ILE 110 HB ILE 110 -5.455 -16.271 3.663 886 HG12 ILE 110 2HG1 ILE 110 -5.434 -15.584 6.155 887 HG13 ILE 110 1HG1 ILE 110 -7.186 -15.496 6.071 888 HG21 ILE 110 1HG2 ILE 110 -4.832 -14.021 4.557 889 HG22 ILE 110 2HG2 ILE 110 -6.481 -13.473 4.263 890 HG23 ILE 110 3HG2 ILE 110 -5.457 -13.975 2.912 891 HD11 ILE 110 1HD1 ILE 110 -6.539 -17.536 7.124 892 HD12 ILE 110 2HD1 ILE 110 -5.445 -17.955 5.814 893 HD13 ILE 110 3HD1 ILE 110 -7.191 -17.956 5.540 894 H MET 111 H MET 111 -6.471 -17.404 1.576 895 HA MET 111 HA MET 111 -7.024 -19.972 2.733 896 HB2 MET 111 2HB MET 111 -9.250 -19.325 1.577 897 HB3 MET 111 1HB MET 111 -8.406 -19.461 0.040 898 HG2 MET 111 2HG MET 111 -7.921 -21.845 0.548 899 HG3 MET 111 1HG MET 111 -8.808 -21.690 2.064 900 HE1 MET 111 1HE MET 111 -11.483 -21.270 2.179 901 HE2 MET 111 2HE MET 111 -12.504 -21.135 0.747 902 HE3 MET 111 3HE MET 111 -11.352 -19.856 1.132 903 H SER 112 H SER 112 -4.785 -18.426 1.937 904 HA SER 112 HA SER 112 -2.710 -18.672 1.095 905 HB2 SER 112 2HB SER 112 -2.987 -20.982 2.046 906 HB3 SER 112 1HB SER 112 -3.549 -21.539 0.470 907 HG SER 112 HG SER 112 -1.553 -21.546 -0.238 908 H TRP 113 H TRP 113 -4.979 -17.910 -0.715 909 HA TRP 113 HA TRP 113 -4.356 -18.882 -3.342 910 HB2 TRP 113 2HB TRP 113 -6.154 -16.628 -2.363 911 HB3 TRP 113 1HB TRP 113 -5.959 -17.023 -4.070 912 HD1 TRP 113 HD1 TRP 113 -5.987 -20.313 -3.466 913 HE1 TRP 113 HE1 TRP 113 -8.283 -21.403 -3.111 914 HE3 TRP 113 HE3 TRP 113 -8.700 -16.153 -2.232 915 HZ2 TRP 113 HZ2 TRP 113 -10.901 -20.620 -2.415 916 HZ3 TRP 113 HZ3 TRP 113 -11.098 -16.404 -1.737 917 HH2 TRP 113 HH2 TRP 113 -12.178 -18.595 -1.828 918 H GLY 114 H GLY 114 -3.056 -18.035 -4.837 919 HA2 GLY 114 2HA GLY 114 -2.084 -15.421 -5.113 920 HA3 GLY 114 1HA GLY 114 -0.906 -16.344 -4.171 921 H ARG 115 H ARG 115 -1.525 -15.392 -7.232 922 HA ARG 115 HA ARG 115 -1.142 -16.066 -9.351 923 HB2 ARG 115 2HB ARG 115 1.009 -17.591 -7.847 924 HB3 ARG 115 1HB ARG 115 0.812 -17.868 -9.571 925 HG2 ARG 115 2HG ARG 115 2.581 -16.255 -9.200 926 HG3 ARG 115 1HG ARG 115 1.235 -15.461 -10.013 927 HD2 ARG 115 2HD ARG 115 0.536 -14.449 -7.887 928 HD3 ARG 115 1HD ARG 115 1.847 -15.286 -7.042 929 HE ARG 115 HE ARG 115 3.285 -13.955 -8.777 930 HH11 ARG 115 1HH1 ARG 115 0.463 -12.748 -7.051 931 HH12 ARG 115 2HH1 ARG 115 1.019 -11.108 -7.053 932 HH21 ARG 115 1HH2 ARG 115 4.011 -11.810 -8.744 933 HH22 ARG 115 2HH2 ARG 115 3.037 -10.574 -8.021 934 H LEU 116 H LEU 116 -3.392 -16.934 -9.090 935 HA LEU 116 HA LEU 116 -3.672 -19.841 -9.152 936 HB2 LEU 116 2HB LEU 116 -5.757 -17.637 -9.427 937 HB3 LEU 116 1HB LEU 116 -6.119 -19.353 -9.447 938 HG LEU 116 HG LEU 116 -5.071 -19.416 -7.054 939 HD11 LEU 116 1HD1 LEU 116 -5.177 -17.346 -5.766 940 HD12 LEU 116 2HD1 LEU 116 -5.565 -16.434 -7.227 941 HD13 LEU 116 3HD1 LEU 116 -3.996 -17.230 -7.069 942 HD21 LEU 116 1HD2 LEU 116 -7.464 -19.722 -7.488 943 HD22 LEU 116 2HD2 LEU 116 -7.712 -17.976 -7.480 944 HD23 LEU 116 3HD2 LEU 116 -7.203 -18.806 -6.006 945 H PHE 117 H PHE 117 -4.517 -17.117 -11.305 946 HA PHE 117 HA PHE 117 -3.958 -18.763 -13.700 947 HB2 PHE 117 2HB PHE 117 -6.384 -16.930 -13.312 948 HB3 PHE 117 1HB PHE 117 -5.925 -17.662 -14.845 949 HD1 PHE 117 HD1 PHE 117 -7.639 -18.192 -11.672 950 HD2 PHE 117 HD2 PHE 117 -6.017 -20.175 -15.099 951 HE1 PHE 117 HE1 PHE 117 -8.933 -20.215 -11.125 952 HE2 PHE 117 HE2 PHE 117 -7.319 -22.188 -14.544 953 HZ PHE 117 HZ PHE 117 -8.774 -22.213 -12.558 Start of MODEL 4 1 H1 MET 1 1H MET 1 -3.065 38.542 6.290 2 H2 MET 1 2H MET 1 -2.959 40.125 6.870 3 H3 MET 1 3H MET 1 -3.713 39.815 5.391 4 HA MET 1 HA MET 1 -4.642 38.887 8.026 5 HB2 MET 1 2HB MET 1 -6.519 40.504 7.700 6 HB3 MET 1 1HB MET 1 -4.961 41.300 7.809 7 HG2 MET 1 2HG MET 1 -4.938 41.576 5.345 8 HG3 MET 1 1HG MET 1 -6.530 40.814 5.260 9 HE1 MET 1 1HE MET 1 -7.352 44.587 4.506 10 HE2 MET 1 2HE MET 1 -7.551 42.926 3.953 11 HE3 MET 1 3HE MET 1 -5.948 43.665 3.969 12 H SER 2 H SER 2 -6.019 37.234 7.956 13 HA SER 2 HA SER 2 -7.846 36.724 5.768 14 HB2 SER 2 2HB SER 2 -5.708 34.660 6.492 15 HB3 SER 2 1HB SER 2 -7.115 34.331 5.478 16 HG SER 2 HG SER 2 -6.134 36.327 4.294 17 H GLY 3 H GLY 3 -9.550 35.336 6.412 18 HA2 GLY 3 2HA GLY 3 -10.147 35.357 9.249 19 HA3 GLY 3 1HA GLY 3 -11.192 34.806 7.951 20 H SER 4 H SER 4 -10.976 32.630 7.168 21 HA SER 4 HA SER 4 -10.012 30.799 9.295 22 HB2 SER 4 2HB SER 4 -11.895 29.324 8.541 23 HB3 SER 4 1HB SER 4 -12.461 30.897 9.106 24 HG SER 4 HG SER 4 -13.461 30.825 7.243 25 H HIS 5 H HIS 5 -8.563 31.749 6.760 26 HA HIS 5 HA HIS 5 -8.415 29.716 4.821 27 HB2 HIS 5 2HB HIS 5 -7.503 32.001 4.496 28 HB3 HIS 5 1HB HIS 5 -6.250 31.688 5.688 29 HD1 HIS 5 HD1 HIS 5 -4.149 30.538 4.882 30 HD2 HIS 5 HD2 HIS 5 -7.137 30.597 1.996 31 HE1 HIS 5 HE1 HIS 5 -3.049 29.791 2.762 32 HE2 HIS 5 HE2 HIS 5 -4.840 29.950 1.007 33 H HIS 6 H HIS 6 -6.145 30.313 7.536 34 HA HIS 6 HA HIS 6 -4.688 27.895 7.279 35 HB2 HIS 6 2HB HIS 6 -3.778 29.883 8.420 36 HB3 HIS 6 1HB HIS 6 -4.988 29.742 9.687 37 HD1 HIS 6 HD1 HIS 6 -4.456 28.246 11.628 38 HD2 HIS 6 HD2 HIS 6 -1.772 27.783 8.504 39 HE1 HIS 6 HE1 HIS 6 -2.620 26.810 12.530 40 HE2 HIS 6 HE2 HIS 6 -0.895 26.809 10.715 41 H HIS 7 H HIS 7 -7.661 28.727 8.929 42 HA HIS 7 HA HIS 7 -7.907 26.459 10.632 43 HB2 HIS 7 2HB HIS 7 -9.170 28.580 10.973 44 HB3 HIS 7 1HB HIS 7 -10.107 28.268 9.518 45 HD1 HIS 7 HD1 HIS 7 -11.882 26.345 9.649 46 HD2 HIS 7 HD2 HIS 7 -10.005 27.200 13.252 47 HE1 HIS 7 HE1 HIS 7 -13.243 25.187 11.411 48 HE2 HIS 7 HE2 HIS 7 -11.984 25.581 13.546 49 H HIS 8 H HIS 8 -8.650 27.005 7.237 50 HA HIS 8 HA HIS 8 -10.220 24.640 6.816 51 HB2 HIS 8 2HB HIS 8 -8.714 26.425 4.854 52 HB3 HIS 8 1HB HIS 8 -9.711 25.062 4.349 53 HD1 HIS 8 HD1 HIS 8 -10.015 28.474 4.273 54 HD2 HIS 8 HD2 HIS 8 -12.440 25.536 5.913 55 HE1 HIS 8 HE1 HIS 8 -12.288 29.497 4.446 56 HE2 HIS 8 HE2 HIS 8 -13.695 27.753 5.577 57 H HIS 9 H HIS 9 -6.871 25.193 7.248 58 HA HIS 9 HA HIS 9 -4.970 23.995 7.041 59 HB2 HIS 9 2HB HIS 9 -6.894 21.657 7.346 60 HB3 HIS 9 1HB HIS 9 -5.150 21.477 7.370 61 HD1 HIS 9 HD1 HIS 9 -3.952 21.941 9.523 62 HD2 HIS 9 HD2 HIS 9 -7.969 22.998 9.648 63 HE1 HIS 9 HE1 HIS 9 -4.465 22.382 11.942 64 HE2 HIS 9 HE2 HIS 9 -6.897 23.007 11.991 65 H HIS 10 H HIS 10 -4.933 24.921 4.871 66 HA HIS 10 HA HIS 10 -4.624 24.940 2.640 67 HB2 HIS 10 2HB HIS 10 -3.870 22.014 3.098 68 HB3 HIS 10 1HB HIS 10 -3.585 22.880 1.591 69 HD1 HIS 10 HD1 HIS 10 -2.051 22.166 4.824 70 HD2 HIS 10 HD2 HIS 10 -1.687 25.095 1.897 71 HE1 HIS 10 HE1 HIS 10 0.128 23.329 5.289 72 HE2 HIS 10 HE2 HIS 10 0.311 25.108 3.528 73 H SER 11 H SER 11 -6.830 25.405 2.224 74 HA SER 11 HA SER 11 -8.953 23.597 2.024 75 HB2 SER 11 2HB SER 11 -9.393 25.970 2.169 76 HB3 SER 11 1HB SER 11 -8.531 26.293 0.667 77 HG SER 11 HG SER 11 -10.163 25.364 -0.483 78 H SER 12 H SER 12 -6.745 24.816 -0.473 79 HA SER 12 HA SER 12 -5.756 23.747 -2.178 80 HB2 SER 12 2HB SER 12 -5.914 21.624 -0.912 81 HB3 SER 12 1HB SER 12 -7.514 21.329 -1.589 82 HG SER 12 HG SER 12 -5.895 20.228 -2.746 83 H GLY 13 H GLY 13 -9.296 22.980 -2.281 84 HA2 GLY 13 2HA GLY 13 -10.814 23.377 -4.026 85 HA3 GLY 13 1HA GLY 13 -9.520 24.033 -5.021 86 H ILE 14 H ILE 14 -8.323 21.312 -3.747 87 HA ILE 14 HA ILE 14 -9.403 19.361 -5.662 88 HB ILE 14 HB ILE 14 -6.457 20.193 -5.427 89 HG12 ILE 14 2HG1 ILE 14 -7.828 21.251 -7.275 90 HG13 ILE 14 1HG1 ILE 14 -6.511 20.286 -7.915 91 HG21 ILE 14 1HG2 ILE 14 -5.746 18.138 -6.600 92 HG22 ILE 14 2HG2 ILE 14 -7.397 17.516 -6.553 93 HG23 ILE 14 3HG2 ILE 14 -6.497 17.749 -5.054 94 HD11 ILE 14 1HD1 ILE 14 -9.416 19.496 -7.773 95 HD12 ILE 14 2HD1 ILE 14 -8.115 18.471 -8.392 96 HD13 ILE 14 3HD1 ILE 14 -8.515 19.985 -9.204 97 H GLU 15 H GLU 15 -10.244 17.965 -4.220 98 HA GLU 15 HA GLU 15 -9.070 17.797 -1.503 99 HB2 GLU 15 2HB GLU 15 -11.868 17.187 -2.546 100 HB3 GLU 15 1HB GLU 15 -11.351 16.695 -0.946 101 HG2 GLU 15 2HG GLU 15 -11.676 19.536 -1.965 102 HG3 GLU 15 1HG GLU 15 -12.641 18.704 -0.751 103 H GLY 16 H GLY 16 -10.065 15.885 -4.284 104 HA2 GLY 16 2HA GLY 16 -9.885 13.663 -4.803 105 HA3 GLY 16 1HA GLY 16 -8.552 13.579 -3.659 106 H ARG 17 H ARG 17 -11.591 14.706 -2.553 107 HA ARG 17 HA ARG 17 -12.466 12.218 -1.321 108 HB2 ARG 17 2HB ARG 17 -11.617 14.648 0.342 109 HB3 ARG 17 1HB ARG 17 -12.470 13.247 0.979 110 HG2 ARG 17 2HG ARG 17 -10.479 11.840 0.367 111 HG3 ARG 17 1HG ARG 17 -9.643 13.311 -0.119 112 HD2 ARG 17 2HD ARG 17 -9.923 14.171 2.210 113 HD3 ARG 17 1HD ARG 17 -10.612 12.610 2.670 114 HE ARG 17 HE ARG 17 -8.424 11.636 1.878 115 HH11 ARG 17 1HH1 ARG 17 -8.584 14.900 3.163 116 HH12 ARG 17 2HH1 ARG 17 -6.927 14.909 3.672 117 HH21 ARG 17 1HH2 ARG 17 -6.234 11.734 2.464 118 HH22 ARG 17 2HH2 ARG 17 -5.616 13.117 3.272 119 H GLY 18 H GLY 18 -14.258 12.565 -2.611 120 HA2 GLY 18 2HA GLY 18 -15.902 14.781 -2.824 121 HA3 GLY 18 1HA GLY 18 -16.420 13.109 -2.982 122 H ARG 19 H ARG 19 -16.599 15.894 -1.136 123 HA ARG 19 HA ARG 19 -16.682 14.948 1.516 124 HB2 ARG 19 2HB ARG 19 -17.572 17.562 0.241 125 HB3 ARG 19 1HB ARG 19 -17.598 17.288 1.983 126 HG2 ARG 19 2HG ARG 19 -15.171 16.953 2.011 127 HG3 ARG 19 1HG ARG 19 -15.097 17.131 0.255 128 HD2 ARG 19 2HD ARG 19 -15.773 19.437 0.389 129 HD3 ARG 19 1HD ARG 19 -16.137 19.292 2.110 130 HE ARG 19 HE ARG 19 -13.412 18.678 1.674 131 HH11 ARG 19 1HH1 ARG 19 -15.585 21.462 1.629 132 HH12 ARG 19 2HH1 ARG 19 -14.333 22.588 2.038 133 HH21 ARG 19 1HH2 ARG 19 -11.793 20.212 2.232 134 HH22 ARG 19 2HH2 ARG 19 -12.209 21.887 2.376 135 H MET 20 H MET 20 -19.188 14.971 -0.888 136 HA MET 20 HA MET 20 -21.518 14.917 0.704 137 HB2 MET 20 2HB MET 20 -20.933 13.368 -1.861 138 HB3 MET 20 1HB MET 20 -22.532 13.562 -1.154 139 HG2 MET 20 2HG MET 20 -22.420 15.975 -1.508 140 HG3 MET 20 1HG MET 20 -20.792 15.814 -2.175 141 HE1 MET 20 1HE MET 20 -21.406 17.035 -4.457 142 HE2 MET 20 2HE MET 20 -23.020 17.352 -3.813 143 HE3 MET 20 3HE MET 20 -22.831 16.637 -5.413 144 H LYS 21 H LYS 21 -19.240 12.376 -0.190 145 HA LYS 21 HA LYS 21 -20.468 10.363 1.523 146 HB2 LYS 21 2HB LYS 21 -17.832 10.228 -0.010 147 HB3 LYS 21 1HB LYS 21 -18.707 8.871 0.693 148 HG2 LYS 21 2HG LYS 21 -19.601 10.585 -1.637 149 HG3 LYS 21 1HG LYS 21 -19.026 8.918 -1.726 150 HD2 LYS 21 2HD LYS 21 -21.002 8.142 -0.483 151 HD3 LYS 21 1HD LYS 21 -21.549 9.807 -0.263 152 HE2 LYS 21 2HE LYS 21 -21.798 10.022 -2.729 153 HE3 LYS 21 1HE LYS 21 -21.317 8.331 -2.908 154 HZ1 LYS 21 1HZ LYS 21 -23.248 7.672 -1.615 155 HZ2 LYS 21 2HZ LYS 21 -23.730 8.606 -2.941 156 HZ3 LYS 21 3HZ LYS 21 -23.690 9.290 -1.396 157 H LYS 22 H LYS 22 -17.654 12.428 1.360 158 HA LYS 22 HA LYS 22 -16.045 13.107 2.728 159 HB2 LYS 22 2HB LYS 22 -17.893 13.956 4.120 160 HB3 LYS 22 1HB LYS 22 -18.003 12.408 4.954 161 HG2 LYS 22 2HG LYS 22 -15.692 12.749 5.829 162 HG3 LYS 22 1HG LYS 22 -15.650 14.328 5.039 163 HD2 LYS 22 2HD LYS 22 -17.534 15.090 6.455 164 HD3 LYS 22 1HD LYS 22 -17.612 13.500 7.219 165 HE2 LYS 22 2HE LYS 22 -15.312 13.823 8.082 166 HE3 LYS 22 1HE LYS 22 -15.277 15.429 7.348 167 HZ1 LYS 22 1HZ LYS 22 -17.178 16.027 8.764 168 HZ2 LYS 22 2HZ LYS 22 -15.813 15.602 9.659 169 HZ3 LYS 22 3HZ LYS 22 -17.094 14.510 9.512 170 H LYS 23 H LYS 23 -14.369 11.733 2.384 171 HA LYS 23 HA LYS 23 -14.106 9.215 3.860 172 HB2 LYS 23 2HB LYS 23 -12.274 10.658 1.906 173 HB3 LYS 23 1HB LYS 23 -11.830 9.157 2.717 174 HG2 LYS 23 2HG LYS 23 -13.825 8.059 1.644 175 HG3 LYS 23 1HG LYS 23 -14.094 9.546 0.727 176 HD2 LYS 23 2HD LYS 23 -11.556 7.866 0.652 177 HD3 LYS 23 1HD LYS 23 -12.816 7.858 -0.579 178 HE2 LYS 23 2HE LYS 23 -12.350 10.150 -1.170 179 HE3 LYS 23 1HE LYS 23 -11.249 10.335 0.195 180 HZ1 LYS 23 1HZ LYS 23 -10.830 8.532 -2.104 181 HZ2 LYS 23 2HZ LYS 23 -9.758 8.759 -0.823 182 HZ3 LYS 23 3HZ LYS 23 -10.085 10.026 -1.893 183 H GLN 24 H GLN 24 -11.622 9.004 4.682 184 HA GLN 24 HA GLN 24 -11.529 10.720 7.017 185 HB2 GLN 24 2HB GLN 24 -9.729 8.374 6.251 186 HB3 GLN 24 1HB GLN 24 -9.802 9.165 7.823 187 HG2 GLN 24 2HG GLN 24 -11.913 7.442 6.518 188 HG3 GLN 24 1HG GLN 24 -11.026 7.122 8.006 189 HE21 GLN 24 1HE2 GLN 24 -11.567 8.416 9.878 190 HE22 GLN 24 2HE2 GLN 24 -13.126 9.130 10.019 191 H ILE 25 H ILE 25 -10.254 12.424 7.221 192 HA ILE 25 HA ILE 25 -8.501 13.199 5.048 193 HB ILE 25 HB ILE 25 -9.515 14.653 7.523 194 HG12 ILE 25 2HG1 ILE 25 -10.313 16.403 5.983 195 HG13 ILE 25 1HG1 ILE 25 -9.526 15.657 4.611 196 HG21 ILE 25 1HG2 ILE 25 -7.191 15.663 5.852 197 HG22 ILE 25 2HG2 ILE 25 -7.138 15.201 7.553 198 HG23 ILE 25 3HG2 ILE 25 -8.058 16.620 7.058 199 HD11 ILE 25 1HD1 ILE 25 -11.128 13.787 4.772 200 HD12 ILE 25 2HD1 ILE 25 -11.906 15.350 4.558 201 HD13 ILE 25 3HD1 ILE 25 -11.893 14.594 6.145 202 H GLU 26 H GLU 26 -8.176 12.518 8.520 203 HA GLU 26 HA GLU 26 -5.399 12.961 8.711 204 HB2 GLU 26 2HB GLU 26 -7.307 11.398 10.492 205 HB3 GLU 26 1HB GLU 26 -5.613 11.671 10.904 206 HG2 GLU 26 2HG GLU 26 -6.030 14.127 10.838 207 HG3 GLU 26 1HG GLU 26 -7.734 13.804 10.518 208 H PHE 27 H PHE 27 -7.255 9.906 8.477 209 HA PHE 27 HA PHE 27 -5.037 8.193 8.707 210 HB2 PHE 27 2HB PHE 27 -7.556 7.580 9.008 211 HB3 PHE 27 1HB PHE 27 -7.593 7.374 7.261 212 HD1 PHE 27 HD1 PHE 27 -6.543 5.921 10.440 213 HD2 PHE 27 HD2 PHE 27 -6.134 5.573 6.187 214 HE1 PHE 27 HE1 PHE 27 -5.543 3.689 10.705 215 HE2 PHE 27 HE2 PHE 27 -5.146 3.342 6.482 216 HZ PHE 27 HZ PHE 27 -4.840 2.418 8.722 217 H GLU 28 H GLU 28 -6.683 9.594 5.893 218 HA GLU 28 HA GLU 28 -5.159 8.100 3.992 219 HB2 GLU 28 2HB GLU 28 -7.031 10.442 3.654 220 HB3 GLU 28 1HB GLU 28 -6.043 9.868 2.312 221 HG2 GLU 28 2HG GLU 28 -7.043 7.591 2.628 222 HG3 GLU 28 1HG GLU 28 -8.118 8.300 3.830 223 H ASN 29 H ASN 29 -4.905 11.488 5.274 224 HA ASN 29 HA ASN 29 -2.734 12.353 3.775 225 HB2 ASN 29 2HB ASN 29 -3.511 12.989 6.639 226 HB3 ASN 29 1HB ASN 29 -1.998 13.616 5.993 227 HD21 ASN 29 1HD2 ASN 29 -2.742 15.747 6.233 228 HD22 ASN 29 2HD2 ASN 29 -3.913 16.430 5.163 229 H GLU 30 H GLU 30 -2.649 10.332 6.719 230 HA GLU 30 HA GLU 30 0.204 10.279 6.946 231 HB2 GLU 30 2HB GLU 30 -1.296 9.960 8.877 232 HB3 GLU 30 1HB GLU 30 -1.855 8.425 8.228 233 HG2 GLU 30 2HG GLU 30 0.226 7.365 8.649 234 HG3 GLU 30 1HG GLU 30 1.071 8.900 8.823 235 H LEU 31 H LEU 31 -2.124 7.843 5.733 236 HA LEU 31 HA LEU 31 -0.112 5.901 5.045 237 HB2 LEU 31 2HB LEU 31 -2.372 5.004 5.320 238 HB3 LEU 31 1HB LEU 31 -3.016 6.106 4.135 239 HG LEU 31 HG LEU 31 -1.463 4.742 2.417 240 HD11 LEU 31 1HD1 LEU 31 -1.410 2.320 2.838 241 HD12 LEU 31 2HD1 LEU 31 -1.864 2.597 4.509 242 HD13 LEU 31 3HD1 LEU 31 -0.329 3.208 3.892 243 HD21 LEU 31 1HD2 LEU 31 -3.851 4.873 2.052 244 HD22 LEU 31 2HD2 LEU 31 -4.169 3.695 3.332 245 HD23 LEU 31 3HD2 LEU 31 -3.341 3.198 1.862 246 H ARG 32 H ARG 32 -1.925 8.224 3.134 247 HA ARG 32 HA ARG 32 -1.050 7.502 0.566 248 HB2 ARG 32 2HB ARG 32 -3.174 8.649 1.139 249 HB3 ARG 32 1HB ARG 32 -2.269 10.100 1.509 250 HG2 ARG 32 2HG ARG 32 -1.618 10.262 -0.882 251 HG3 ARG 32 1HG ARG 32 -2.600 8.835 -1.221 252 HD2 ARG 32 2HD ARG 32 -3.854 10.904 -1.719 253 HD3 ARG 32 1HD ARG 32 -4.609 10.026 -0.381 254 HE ARG 32 HE ARG 32 -2.756 11.899 0.630 255 HH11 ARG 32 1HH1 ARG 32 -5.941 11.908 -0.882 256 HH12 ARG 32 2HH1 ARG 32 -6.400 13.398 -0.118 257 HH21 ARG 32 1HH2 ARG 32 -3.401 13.807 1.628 258 HH22 ARG 32 2HH2 ARG 32 -4.970 14.471 1.294 259 H SER 33 H SER 33 0.233 9.826 2.950 260 HA SER 33 HA SER 33 2.148 11.104 1.248 261 HB2 SER 33 2HB SER 33 1.445 12.046 3.428 262 HB3 SER 33 1HB SER 33 2.205 10.695 4.266 263 HG SER 33 HG SER 33 4.208 11.432 3.213 264 H MET 34 H MET 34 2.274 8.301 3.413 265 HA MET 34 HA MET 34 5.076 7.710 3.110 266 HB2 MET 34 2HB MET 34 2.752 5.959 4.058 267 HB3 MET 34 1HB MET 34 4.425 5.440 4.086 268 HG2 MET 34 2HG MET 34 4.978 6.846 5.863 269 HG3 MET 34 1HG MET 34 3.630 7.936 5.573 270 HE1 MET 34 1HE MET 34 4.545 4.258 6.695 271 HE2 MET 34 2HE MET 34 3.223 4.018 5.548 272 HE3 MET 34 3HE MET 34 2.976 3.694 7.265 273 H LEU 35 H LEU 35 2.184 6.937 1.406 274 HA LEU 35 HA LEU 35 3.204 4.799 -0.217 275 HB2 LEU 35 2HB LEU 35 0.683 5.308 0.376 276 HB3 LEU 35 1HB LEU 35 0.761 6.484 -0.914 277 HG LEU 35 HG LEU 35 1.261 3.518 -1.414 278 HD11 LEU 35 1HD1 LEU 35 -1.067 3.289 -2.077 279 HD12 LEU 35 2HD1 LEU 35 -1.405 4.954 -1.593 280 HD13 LEU 35 3HD1 LEU 35 -0.954 3.753 -0.383 281 HD21 LEU 35 1HD2 LEU 35 0.427 5.777 -3.264 282 HD22 LEU 35 2HD2 LEU 35 0.626 4.082 -3.724 283 HD23 LEU 35 3HD2 LEU 35 2.019 5.020 -3.199 284 H ALA 36 H ALA 36 2.687 8.295 -0.577 285 HA ALA 36 HA ALA 36 3.532 8.690 -3.207 286 HB1 ALA 36 1HB ALA 36 3.852 10.563 -0.843 287 HB2 ALA 36 2HB ALA 36 2.451 10.454 -1.904 288 HB3 ALA 36 3HB ALA 36 3.985 11.026 -2.545 289 H THR 37 H THR 37 5.432 8.726 -0.172 290 HA THR 37 HA THR 37 7.982 9.206 -1.225 291 HB THR 37 HB THR 37 7.346 7.454 1.197 292 HG1 THR 37 HG1 THR 37 7.418 10.271 0.886 293 HG21 THR 37 1HG2 THR 37 9.514 8.275 2.069 294 HG22 THR 37 2HG2 THR 37 9.789 9.165 0.571 295 HG23 THR 37 3HG2 THR 37 9.739 7.401 0.551 296 H ALA 38 H ALA 38 6.240 6.144 -0.665 297 HA ALA 38 HA ALA 38 8.294 4.397 -1.553 298 HB1 ALA 38 1HB ALA 38 5.310 3.890 -1.329 299 HB2 ALA 38 2HB ALA 38 6.508 3.634 -0.066 300 HB3 ALA 38 3HB ALA 38 6.548 2.649 -1.529 301 H LEU 39 H LEU 39 5.858 6.236 -3.356 302 HA LEU 39 HA LEU 39 6.184 4.789 -5.840 303 HB2 LEU 39 2HB LEU 39 5.222 7.662 -5.474 304 HB3 LEU 39 1HB LEU 39 5.069 6.721 -6.941 305 HG LEU 39 HG LEU 39 3.584 6.132 -4.351 306 HD11 LEU 39 1HD1 LEU 39 1.588 6.986 -5.472 307 HD12 LEU 39 2HD1 LEU 39 2.574 7.471 -6.855 308 HD13 LEU 39 3HD1 LEU 39 2.828 8.226 -5.279 309 HD21 LEU 39 1HD2 LEU 39 2.123 4.701 -5.862 310 HD22 LEU 39 2HD2 LEU 39 3.710 4.054 -5.508 311 HD23 LEU 39 3HD2 LEU 39 3.400 4.817 -7.073 312 H GLU 40 H GLU 40 7.670 7.617 -4.340 313 HA GLU 40 HA GLU 40 9.321 8.421 -6.540 314 HB2 GLU 40 2HB GLU 40 9.554 9.044 -3.554 315 HB3 GLU 40 1HB GLU 40 10.512 9.815 -4.818 316 HG2 GLU 40 2HG GLU 40 8.531 10.791 -5.816 317 HG3 GLU 40 1HG GLU 40 7.488 9.920 -4.691 318 H LYS 41 H LYS 41 9.669 6.121 -3.946 319 HA LYS 41 HA LYS 41 12.429 5.446 -4.606 320 HB2 LYS 41 2HB LYS 41 10.386 4.132 -2.759 321 HB3 LYS 41 1HB LYS 41 12.064 3.625 -2.919 322 HG2 LYS 41 2HG LYS 41 11.107 6.311 -1.902 323 HG3 LYS 41 1HG LYS 41 11.698 4.964 -0.905 324 HD2 LYS 41 2HD LYS 41 13.929 5.110 -2.086 325 HD3 LYS 41 1HD LYS 41 13.337 6.469 -3.024 326 HE2 LYS 41 2HE LYS 41 13.285 7.870 -0.945 327 HE3 LYS 41 1HE LYS 41 13.885 6.492 -0.004 328 HZ1 LYS 41 1HZ LYS 41 15.650 7.974 -0.597 329 HZ2 LYS 41 2HZ LYS 41 15.290 7.832 -2.242 330 HZ3 LYS 41 3HZ LYS 41 15.871 6.498 -1.384 331 H ASP 42 H ASP 42 13.032 3.448 -5.610 332 HA ASP 42 HA ASP 42 11.231 2.656 -7.733 333 HB2 ASP 42 2HB ASP 42 13.663 2.920 -8.189 334 HB3 ASP 42 1HB ASP 42 14.030 1.634 -7.043 335 H ILE 43 H ILE 43 9.541 1.646 -6.668 336 HA ILE 43 HA ILE 43 9.949 -0.837 -5.177 337 HB ILE 43 HB ILE 43 7.416 -0.857 -5.019 338 HG12 ILE 43 2HG1 ILE 43 7.634 1.868 -6.402 339 HG13 ILE 43 1HG1 ILE 43 6.811 0.441 -7.019 340 HG21 ILE 43 1HG2 ILE 43 7.319 0.952 -3.328 341 HG22 ILE 43 2HG2 ILE 43 8.814 1.628 -3.974 342 HG23 ILE 43 3HG2 ILE 43 8.825 0.030 -3.225 343 HD11 ILE 43 1HD1 ILE 43 5.209 0.594 -5.155 344 HD12 ILE 43 2HD1 ILE 43 5.209 2.018 -6.194 345 HD13 ILE 43 3HD1 ILE 43 6.005 2.078 -4.622 346 H SER 44 H SER 44 9.302 -2.833 -5.869 347 HA SER 44 HA SER 44 9.917 -3.490 -8.559 348 HB2 SER 44 2HB SER 44 8.618 -5.313 -6.457 349 HB3 SER 44 1HB SER 44 9.580 -5.836 -7.833 350 HG SER 44 HG SER 44 10.486 -5.495 -5.522 351 H GLN 45 H GLN 45 8.512 -4.515 -10.207 352 HA GLN 45 HA GLN 45 6.339 -3.102 -10.938 353 HB2 GLN 45 2HB GLN 45 7.592 -4.639 -12.415 354 HB3 GLN 45 1HB GLN 45 6.840 -6.022 -11.633 355 HG2 GLN 45 2HG GLN 45 4.620 -5.250 -12.461 356 HG3 GLN 45 1HG GLN 45 5.413 -3.920 -13.299 357 HE21 GLN 45 1HE2 GLN 45 4.951 -7.381 -13.210 358 HE22 GLN 45 2HE2 GLN 45 5.503 -7.704 -14.815 359 H GLU 46 H GLU 46 6.140 -6.017 -8.858 360 HA GLU 46 HA GLU 46 3.238 -6.201 -8.998 361 HB2 GLU 46 2HB GLU 46 5.284 -7.724 -7.330 362 HB3 GLU 46 1HB GLU 46 3.554 -8.029 -7.258 363 HG2 GLU 46 2HG GLU 46 4.600 -9.709 -8.638 364 HG3 GLU 46 1HG GLU 46 3.572 -8.687 -9.641 365 H GLU 47 H GLU 47 5.525 -4.611 -7.052 366 HA GLU 47 HA GLU 47 3.897 -4.297 -4.659 367 HB2 GLU 47 2HB GLU 47 6.401 -4.627 -4.531 368 HB3 GLU 47 1HB GLU 47 6.640 -3.156 -5.442 369 HG2 GLU 47 2HG GLU 47 5.855 -1.819 -3.594 370 HG3 GLU 47 1HG GLU 47 5.411 -3.250 -2.671 371 H ARG 48 H ARG 48 5.122 -2.463 -7.409 372 HA ARG 48 HA ARG 48 3.914 0.028 -6.954 373 HB2 ARG 48 2HB ARG 48 5.775 -0.336 -8.564 374 HB3 ARG 48 1HB ARG 48 4.656 -1.212 -9.604 375 HG2 ARG 48 2HG ARG 48 3.298 0.829 -9.875 376 HG3 ARG 48 1HG ARG 48 4.396 1.705 -8.812 377 HD2 ARG 48 2HD ARG 48 5.130 0.485 -11.489 378 HD3 ARG 48 1HD ARG 48 4.827 2.197 -11.192 379 HE ARG 48 HE ARG 48 6.784 2.070 -9.602 380 HH11 ARG 48 1HH1 ARG 48 6.592 -0.104 -12.371 381 HH12 ARG 48 2HH1 ARG 48 8.312 -0.304 -12.482 382 HH21 ARG 48 1HH2 ARG 48 9.033 1.810 -9.777 383 HH22 ARG 48 2HH2 ARG 48 9.696 0.784 -11.007 384 H ASN 49 H ASN 49 2.925 -2.913 -8.625 385 HA ASN 49 HA ASN 49 0.475 -2.133 -9.692 386 HB2 ASN 49 2HB ASN 49 1.711 -4.303 -10.115 387 HB3 ASN 49 1HB ASN 49 1.119 -4.891 -8.569 388 HD21 ASN 49 1HD2 ASN 49 0.691 -5.822 -11.361 389 HD22 ASN 49 2HD2 ASN 49 -1.025 -5.908 -11.549 390 H ALA 50 H ALA 50 1.229 -3.540 -6.498 391 HA ALA 50 HA ALA 50 -1.371 -3.663 -5.435 392 HB1 ALA 50 1HB ALA 50 1.251 -3.333 -3.931 393 HB2 ALA 50 2HB ALA 50 0.555 -4.863 -4.463 394 HB3 ALA 50 3HB ALA 50 -0.278 -3.900 -3.243 395 H LEU 51 H LEU 51 1.120 -1.072 -5.017 396 HA LEU 51 HA LEU 51 -0.623 0.575 -3.413 397 HB2 LEU 51 2HB LEU 51 1.964 1.412 -4.778 398 HB3 LEU 51 1HB LEU 51 1.150 2.284 -3.502 399 HG LEU 51 HG LEU 51 2.623 -0.369 -3.225 400 HD11 LEU 51 1HD1 LEU 51 4.101 1.597 -3.387 401 HD12 LEU 51 2HD1 LEU 51 4.177 0.862 -1.797 402 HD13 LEU 51 3HD1 LEU 51 3.260 2.347 -2.040 403 HD21 LEU 51 1HD2 LEU 51 2.259 -0.079 -0.741 404 HD22 LEU 51 2HD2 LEU 51 0.841 -0.553 -1.649 405 HD23 LEU 51 3HD2 LEU 51 1.026 1.126 -1.121 406 H ASN 52 H ASN 52 -0.038 0.367 -6.862 407 HA ASN 52 HA ASN 52 -1.386 2.767 -7.597 408 HB2 ASN 52 2HB ASN 52 -0.676 0.287 -9.158 409 HB3 ASN 52 1HB ASN 52 -1.765 1.473 -9.864 410 HD21 ASN 52 1HD2 ASN 52 -0.453 2.165 -11.472 411 HD22 ASN 52 2HD2 ASN 52 1.020 3.025 -11.214 412 H ILE 53 H ILE 53 -2.435 -0.602 -7.161 413 HA ILE 53 HA ILE 53 -5.164 -0.349 -7.844 414 HB ILE 53 HB ILE 53 -3.792 -2.248 -5.880 415 HG12 ILE 53 2HG1 ILE 53 -4.958 -2.795 -8.652 416 HG13 ILE 53 1HG1 ILE 53 -3.255 -2.581 -8.297 417 HG21 ILE 53 1HG2 ILE 53 -5.866 -3.620 -5.816 418 HG22 ILE 53 2HG2 ILE 53 -6.719 -2.355 -6.703 419 HG23 ILE 53 3HG2 ILE 53 -6.094 -2.028 -5.088 420 HD11 ILE 53 1HD1 ILE 53 -3.773 -4.909 -8.558 421 HD12 ILE 53 2HD1 ILE 53 -4.989 -4.825 -7.285 422 HD13 ILE 53 3HD1 ILE 53 -3.283 -4.584 -6.898 423 H ALA 54 H ALA 54 -3.361 0.217 -4.876 424 HA ALA 54 HA ALA 54 -5.442 0.680 -3.051 425 HB1 ALA 54 1HB ALA 54 -3.069 0.288 -2.421 426 HB2 ALA 54 2HB ALA 54 -3.745 1.717 -1.637 427 HB3 ALA 54 3HB ALA 54 -2.655 1.893 -3.015 428 H GLU 55 H GLU 55 -3.470 3.041 -4.906 429 HA GLU 55 HA GLU 55 -4.789 5.336 -3.849 430 HB2 GLU 55 2HB GLU 55 -2.494 5.507 -4.620 431 HB3 GLU 55 1HB GLU 55 -2.943 5.030 -6.246 432 HG2 GLU 55 2HG GLU 55 -4.221 7.122 -6.528 433 HG3 GLU 55 1HG GLU 55 -3.797 7.602 -4.886 434 H LYS 56 H LYS 56 -5.087 3.618 -6.963 435 HA LYS 56 HA LYS 56 -6.905 5.441 -8.124 436 HB2 LYS 56 2HB LYS 56 -7.159 3.945 -9.944 437 HB3 LYS 56 1HB LYS 56 -5.496 3.782 -9.409 438 HG2 LYS 56 2HG LYS 56 -6.065 1.648 -8.287 439 HG3 LYS 56 1HG LYS 56 -7.739 1.833 -8.796 440 HD2 LYS 56 2HD LYS 56 -6.774 0.290 -10.317 441 HD3 LYS 56 1HD LYS 56 -6.892 1.804 -11.206 442 HE2 LYS 56 2HE LYS 56 -4.364 0.706 -9.919 443 HE3 LYS 56 1HE LYS 56 -4.766 0.603 -11.631 444 HZ1 LYS 56 1HZ LYS 56 -4.215 3.082 -10.086 445 HZ2 LYS 56 2HZ LYS 56 -4.747 3.062 -11.690 446 HZ3 LYS 56 3HZ LYS 56 -3.251 2.395 -11.291 447 H ALA 57 H ALA 57 -7.330 2.749 -5.976 448 HA ALA 57 HA ALA 57 -10.198 2.543 -6.281 449 HB1 ALA 57 1HB ALA 57 -8.846 0.581 -5.661 450 HB2 ALA 57 2HB ALA 57 -10.063 0.943 -4.440 451 HB3 ALA 57 3HB ALA 57 -8.371 1.375 -4.161 452 H LEU 58 H LEU 58 -7.907 4.251 -4.116 453 HA LEU 58 HA LEU 58 -9.799 5.273 -2.250 454 HB2 LEU 58 2HB LEU 58 -7.447 6.913 -3.280 455 HB3 LEU 58 1HB LEU 58 -8.267 7.104 -1.744 456 HG LEU 58 HG LEU 58 -6.245 4.922 -2.519 457 HD11 LEU 58 1HD1 LEU 58 -5.908 7.042 -0.370 458 HD12 LEU 58 2HD1 LEU 58 -5.121 7.020 -1.958 459 HD13 LEU 58 3HD1 LEU 58 -4.771 5.762 -0.789 460 HD21 LEU 58 1HD2 LEU 58 -6.275 4.088 -0.160 461 HD22 LEU 58 2HD2 LEU 58 -7.718 3.700 -1.064 462 HD23 LEU 58 3HD2 LEU 58 -7.747 5.008 0.131 463 H ASP 59 H ASP 59 -8.752 6.403 -5.473 464 HA ASP 59 HA ASP 59 -10.274 8.751 -5.658 465 HB2 ASP 59 2HB ASP 59 -9.591 6.798 -7.898 466 HB3 ASP 59 1HB ASP 59 -10.265 8.397 -8.156 467 H ASN 60 H ASN 60 -11.258 5.404 -6.468 468 HA ASN 60 HA ASN 60 -13.964 6.188 -7.131 469 HB2 ASN 60 2HB ASN 60 -12.741 3.400 -6.802 470 HB3 ASN 60 1HB ASN 60 -14.409 3.699 -7.278 471 HD21 ASN 60 1HD2 ASN 60 -14.178 2.734 -9.282 472 HD22 ASN 60 2HD2 ASN 60 -13.238 3.422 -10.556 473 H SER 61 H SER 61 -12.307 5.475 -4.198 474 HA SER 61 HA SER 61 -12.910 5.494 -2.027 475 HB2 SER 61 2HB SER 61 -15.356 7.001 -3.041 476 HB3 SER 61 1HB SER 61 -14.648 7.097 -1.425 477 HG SER 61 HG SER 61 -12.996 7.648 -3.602 478 H GLU 62 H GLU 62 -13.488 3.021 -2.973 479 HA GLU 62 HA GLU 62 -16.241 2.312 -2.805 480 HB2 GLU 62 2HB GLU 62 -13.762 0.554 -2.959 481 HB3 GLU 62 1HB GLU 62 -15.407 -0.080 -2.975 482 HG2 GLU 62 2HG GLU 62 -14.164 1.798 -5.017 483 HG3 GLU 62 1HG GLU 62 -14.522 0.087 -5.245 484 H TYR 63 H TYR 63 -13.581 1.228 -0.561 485 HA TYR 63 HA TYR 63 -15.083 1.890 1.768 486 HB2 TYR 63 2HB TYR 63 -14.756 -1.054 1.087 487 HB3 TYR 63 1HB TYR 63 -14.971 -0.505 2.738 488 HD1 TYR 63 HD1 TYR 63 -17.136 0.915 3.211 489 HD2 TYR 63 HD2 TYR 63 -16.667 -1.620 -0.198 490 HE1 TYR 63 HE1 TYR 63 -19.573 0.813 2.949 491 HE2 TYR 63 HE2 TYR 63 -19.107 -1.718 -0.458 492 HH TYR 63 HH TYR 63 -21.223 0.359 1.161 493 H LEU 64 H LEU 64 -13.872 1.621 3.694 494 HA LEU 64 HA LEU 64 -11.061 2.238 3.155 495 HB2 LEU 64 2HB LEU 64 -12.826 2.883 5.473 496 HB3 LEU 64 1HB LEU 64 -11.219 2.442 5.944 497 HG LEU 64 HG LEU 64 -11.605 4.871 5.898 498 HD11 LEU 64 1HD1 LEU 64 -9.472 4.340 3.845 499 HD12 LEU 64 2HD1 LEU 64 -9.331 3.774 5.511 500 HD13 LEU 64 3HD1 LEU 64 -9.520 5.484 5.184 501 HD21 LEU 64 1HD2 LEU 64 -11.852 4.783 2.865 502 HD22 LEU 64 2HD2 LEU 64 -11.711 6.213 3.873 503 HD23 LEU 64 3HD2 LEU 64 -13.129 5.202 4.015 504 HA PRO 65 HA PRO 65 -10.332 -1.673 5.981 505 HB2 PRO 65 2HB PRO 65 -12.948 -3.131 5.909 506 HB3 PRO 65 1HB PRO 65 -11.867 -2.823 7.284 507 HG2 PRO 65 2HG PRO 65 -14.217 -1.554 7.055 508 HG3 PRO 65 1HG PRO 65 -12.785 -0.750 7.738 509 HD2 PRO 65 2HD PRO 65 -13.940 -0.505 4.965 510 HD3 PRO 65 1HD PRO 65 -13.320 0.763 6.046 511 H LYS 66 H LYS 66 -12.192 -1.423 3.039 512 HA LYS 66 HA LYS 66 -11.775 -4.146 2.167 513 HB2 LYS 66 2HB LYS 66 -13.800 -3.012 1.446 514 HB3 LYS 66 1HB LYS 66 -12.874 -1.720 0.702 515 HG2 LYS 66 2HG LYS 66 -13.747 -3.216 -0.999 516 HG3 LYS 66 1HG LYS 66 -11.985 -3.303 -0.966 517 HD2 LYS 66 2HD LYS 66 -12.169 -5.425 0.377 518 HD3 LYS 66 1HD LYS 66 -13.925 -5.340 0.209 519 HE2 LYS 66 2HE LYS 66 -13.705 -5.519 -2.241 520 HE3 LYS 66 1HE LYS 66 -11.946 -5.555 -2.085 521 HZ1 LYS 66 1HZ LYS 66 -12.206 -7.610 -0.761 522 HZ2 LYS 66 2HZ LYS 66 -12.753 -7.769 -2.353 523 HZ3 LYS 66 3HZ LYS 66 -13.858 -7.593 -1.095 524 H ILE 67 H ILE 67 -10.433 -0.894 1.410 525 HA ILE 67 HA ILE 67 -8.499 -1.906 -0.480 526 HB ILE 67 HB ILE 67 -8.534 0.779 0.969 527 HG12 ILE 67 2HG1 ILE 67 -9.746 -0.109 -1.681 528 HG13 ILE 67 1HG1 ILE 67 -10.606 0.458 -0.266 529 HG21 ILE 67 1HG2 ILE 67 -7.089 1.582 -0.884 530 HG22 ILE 67 2HG2 ILE 67 -7.036 -0.050 -1.550 531 HG23 ILE 67 3HG2 ILE 67 -6.307 0.284 0.022 532 HD11 ILE 67 1HD1 ILE 67 -10.482 2.085 -2.105 533 HD12 ILE 67 2HD1 ILE 67 -8.742 2.181 -1.869 534 HD13 ILE 67 3HD1 ILE 67 -9.841 2.663 -0.574 535 H ILE 68 H ILE 68 -8.503 -1.210 2.990 536 HA ILE 68 HA ILE 68 -5.718 -1.584 3.465 537 HB ILE 68 HB ILE 68 -8.149 -1.716 5.270 538 HG12 ILE 68 2HG1 ILE 68 -5.779 0.214 5.209 539 HG13 ILE 68 1HG1 ILE 68 -7.324 0.522 4.438 540 HG21 ILE 68 1HG2 ILE 68 -6.617 -1.884 7.240 541 HG22 ILE 68 2HG2 ILE 68 -5.297 -2.242 6.133 542 HG23 ILE 68 3HG2 ILE 68 -6.657 -3.347 6.257 543 HD11 ILE 68 1HD1 ILE 68 -8.410 0.491 6.626 544 HD12 ILE 68 2HD1 ILE 68 -7.161 1.726 6.495 545 HD13 ILE 68 3HD1 ILE 68 -6.841 0.243 7.392 546 H LEU 69 H LEU 69 -8.491 -3.806 3.418 547 HA LEU 69 HA LEU 69 -7.156 -6.171 4.208 548 HB2 LEU 69 2HB LEU 69 -9.648 -5.889 4.184 549 HB3 LEU 69 1HB LEU 69 -9.587 -5.889 2.430 550 HG LEU 69 HG LEU 69 -8.789 -8.250 2.387 551 HD11 LEU 69 1HD1 LEU 69 -8.623 -9.665 4.332 552 HD12 LEU 69 2HD1 LEU 69 -9.031 -8.334 5.410 553 HD13 LEU 69 3HD1 LEU 69 -7.522 -8.303 4.490 554 HD21 LEU 69 1HD2 LEU 69 -11.248 -7.995 2.307 555 HD22 LEU 69 2HD2 LEU 69 -11.329 -8.081 4.073 556 HD23 LEU 69 3HD2 LEU 69 -10.778 -9.469 3.143 557 H ASN 70 H ASN 70 -7.937 -4.776 1.048 558 HA ASN 70 HA ASN 70 -6.965 -6.875 -0.568 559 HB2 ASN 70 2HB ASN 70 -8.575 -5.359 -1.503 560 HB3 ASN 70 1HB ASN 70 -7.583 -3.945 -1.156 561 HD21 ASN 70 1HD2 ASN 70 -5.907 -3.427 -2.572 562 HD22 ASN 70 2HD2 ASN 70 -5.696 -4.209 -4.096 563 H LEU 71 H LEU 71 -5.378 -3.976 0.732 564 HA LEU 71 HA LEU 71 -2.982 -4.266 -0.793 565 HB2 LEU 71 2HB LEU 71 -3.649 -2.086 0.154 566 HB3 LEU 71 1HB LEU 71 -3.523 -2.730 1.770 567 HG LEU 71 HG LEU 71 -1.040 -2.959 1.473 568 HD11 LEU 71 1HD1 LEU 71 -1.531 -1.665 -1.208 569 HD12 LEU 71 2HD1 LEU 71 -0.677 -3.172 -0.854 570 HD13 LEU 71 3HD1 LEU 71 0.026 -1.637 -0.394 571 HD21 LEU 71 1HD2 LEU 71 -0.509 -0.560 1.662 572 HD22 LEU 71 2HD2 LEU 71 -1.926 -1.003 2.609 573 HD23 LEU 71 3HD2 LEU 71 -2.125 -0.155 1.074 574 H ARG 72 H ARG 72 -4.023 -5.146 2.461 575 HA ARG 72 HA ARG 72 -1.627 -6.473 3.294 576 HB2 ARG 72 2HB ARG 72 -3.376 -5.660 4.908 577 HB3 ARG 72 1HB ARG 72 -4.506 -6.866 4.315 578 HG2 ARG 72 2HG ARG 72 -2.813 -8.622 5.105 579 HG3 ARG 72 1HG ARG 72 -1.988 -7.294 5.928 580 HD2 ARG 72 2HD ARG 72 -4.164 -6.781 7.116 581 HD3 ARG 72 1HD ARG 72 -4.844 -8.228 6.381 582 HE ARG 72 HE ARG 72 -2.859 -9.382 7.565 583 HH11 ARG 72 1HH1 ARG 72 -4.711 -6.726 8.918 584 HH12 ARG 72 2HH1 ARG 72 -4.433 -7.205 10.556 585 HH21 ARG 72 1HH2 ARG 72 -2.502 -9.999 9.713 586 HH22 ARG 72 2HH2 ARG 72 -3.178 -9.061 11.004 587 H LYS 73 H LYS 73 -4.233 -7.351 1.169 588 HA LYS 73 HA LYS 73 -3.862 -10.240 1.302 589 HB2 LYS 73 2HB LYS 73 -6.117 -9.334 1.016 590 HB3 LYS 73 1HB LYS 73 -5.618 -8.413 -0.391 591 HG2 LYS 73 2HG LYS 73 -5.249 -10.577 -1.608 592 HG3 LYS 73 1HG LYS 73 -5.905 -11.429 -0.204 593 HD2 LYS 73 2HD LYS 73 -8.054 -10.260 -0.457 594 HD3 LYS 73 1HD LYS 73 -7.397 -9.289 -1.777 595 HE2 LYS 73 2HE LYS 73 -7.085 -11.416 -3.081 596 HE3 LYS 73 1HE LYS 73 -7.939 -12.268 -1.793 597 HZ1 LYS 73 1HZ LYS 73 -9.056 -10.023 -3.382 598 HZ2 LYS 73 2HZ LYS 73 -9.877 -10.913 -2.202 599 HZ3 LYS 73 3HZ LYS 73 -9.394 -11.656 -3.639 600 H ALA 74 H ALA 74 -2.813 -7.482 -0.586 601 HA ALA 74 HA ALA 74 -1.679 -9.124 -2.731 602 HB1 ALA 74 1HB ALA 74 -2.763 -7.029 -3.341 603 HB2 ALA 74 2HB ALA 74 -1.047 -6.949 -3.731 604 HB3 ALA 74 3HB ALA 74 -1.671 -6.111 -2.308 605 H LEU 75 H LEU 75 -0.568 -7.586 0.258 606 HA LEU 75 HA LEU 75 2.241 -7.854 -0.588 607 HB2 LEU 75 2HB LEU 75 1.191 -6.523 1.931 608 HB3 LEU 75 1HB LEU 75 2.863 -6.542 1.407 609 HG LEU 75 HG LEU 75 0.572 -5.036 0.091 610 HD11 LEU 75 1HD1 LEU 75 2.953 -4.033 1.649 611 HD12 LEU 75 2HD1 LEU 75 1.239 -3.902 2.056 612 HD13 LEU 75 3HD1 LEU 75 1.879 -3.014 0.687 613 HD21 LEU 75 1HD2 LEU 75 1.949 -5.652 -1.761 614 HD22 LEU 75 2HD2 LEU 75 3.433 -5.271 -0.877 615 HD23 LEU 75 3HD2 LEU 75 2.336 -3.984 -1.370 616 H THR 76 H THR 76 0.014 -9.339 1.743 617 HA THR 76 HA THR 76 1.995 -10.618 3.296 618 HB THR 76 HB THR 76 -0.894 -11.457 2.889 619 HG1 THR 76 HG1 THR 76 0.467 -9.653 4.476 620 HG21 THR 76 1HG2 THR 76 1.089 -12.407 5.007 621 HG22 THR 76 2HG2 THR 76 0.391 -13.407 3.732 622 HG23 THR 76 3HG2 THR 76 -0.642 -12.746 4.998 623 HA PRO 77 HA PRO 77 1.574 -14.599 0.381 624 HB2 PRO 77 2HB PRO 77 1.036 -13.336 -2.295 625 HB3 PRO 77 1HB PRO 77 0.391 -14.839 -1.611 626 HG2 PRO 77 2HG PRO 77 -1.152 -12.681 -1.827 627 HG3 PRO 77 1HG PRO 77 -1.266 -13.756 -0.411 628 HD2 PRO 77 2HD PRO 77 0.116 -11.085 -0.642 629 HD3 PRO 77 1HD PRO 77 -0.900 -11.718 0.657 630 H LEU 78 H LEU 78 2.669 -11.495 -0.911 631 HA LEU 78 HA LEU 78 5.062 -12.523 -2.117 632 HB2 LEU 78 2HB LEU 78 4.576 -9.608 -1.390 633 HB3 LEU 78 1HB LEU 78 5.735 -10.220 -2.556 634 HG LEU 78 HG LEU 78 2.691 -10.263 -2.883 635 HD11 LEU 78 1HD1 LEU 78 3.645 -7.996 -3.144 636 HD12 LEU 78 2HD1 LEU 78 2.924 -8.622 -4.612 637 HD13 LEU 78 3HD1 LEU 78 4.678 -8.600 -4.441 638 HD21 LEU 78 1HD2 LEU 78 3.101 -10.974 -5.234 639 HD22 LEU 78 2HD2 LEU 78 3.572 -12.193 -4.070 640 HD23 LEU 78 3HD2 LEU 78 4.807 -11.213 -4.858 641 H ALA 79 H ALA 79 4.244 -11.234 1.023 642 HA ALA 79 HA ALA 79 6.883 -10.952 2.065 643 HB1 ALA 79 1HB ALA 79 5.778 -10.908 4.278 644 HB2 ALA 79 2HB ALA 79 4.264 -11.437 3.535 645 HB3 ALA 79 3HB ALA 79 4.945 -9.862 3.126 646 H ILE 80 H ILE 80 4.457 -13.575 2.168 647 HA ILE 80 HA ILE 80 5.887 -15.488 3.663 648 HB ILE 80 HB ILE 80 3.736 -15.925 1.523 649 HG12 ILE 80 2HG1 ILE 80 3.497 -15.798 4.574 650 HG13 ILE 80 1HG1 ILE 80 2.937 -14.581 3.438 651 HG21 ILE 80 1HG2 ILE 80 5.001 -18.012 1.799 652 HG22 ILE 80 2HG2 ILE 80 3.390 -18.193 2.494 653 HG23 ILE 80 3HG2 ILE 80 4.783 -17.942 3.548 654 HD11 ILE 80 1HD1 ILE 80 1.098 -15.880 4.272 655 HD12 ILE 80 2HD1 ILE 80 1.853 -17.375 3.720 656 HD13 ILE 80 3HD1 ILE 80 1.310 -16.172 2.546 657 H ASN 81 H ASN 81 5.709 -14.959 0.133 658 HA ASN 81 HA ASN 81 7.608 -17.043 -0.484 659 HB2 ASN 81 2HB ASN 81 6.433 -14.829 -2.212 660 HB3 ASN 81 1HB ASN 81 7.544 -16.056 -2.824 661 HD21 ASN 81 1HD2 ASN 81 4.935 -15.666 -3.804 662 HD22 ASN 81 2HD2 ASN 81 4.018 -17.092 -3.485 663 H ARG 82 H ARG 82 7.926 -13.852 0.687 664 HA ARG 82 HA ARG 82 9.696 -12.578 1.245 665 HB2 ARG 82 2HB ARG 82 11.263 -15.149 0.781 666 HB3 ARG 82 1HB ARG 82 11.985 -13.700 1.466 667 HG2 ARG 82 2HG ARG 82 10.454 -13.871 3.418 668 HG3 ARG 82 1HG ARG 82 9.746 -15.337 2.734 669 HD2 ARG 82 2HD ARG 82 12.659 -15.008 3.580 670 HD3 ARG 82 1HD ARG 82 11.410 -15.873 4.478 671 HE ARG 82 HE ARG 82 11.271 -17.437 2.565 672 HH11 ARG 82 1HH1 ARG 82 14.252 -15.570 2.901 673 HH12 ARG 82 2HH1 ARG 82 15.208 -16.737 2.045 674 HH21 ARG 82 1HH2 ARG 82 12.551 -18.964 1.508 675 HH22 ARG 82 2HH2 ARG 82 14.239 -18.660 1.258 676 H THR 83 H THR 83 8.908 -11.894 -1.140 677 HA THR 83 HA THR 83 11.405 -11.241 -2.587 678 HB THR 83 HB THR 83 10.101 -13.039 -3.830 679 HG1 THR 83 HG1 THR 83 11.098 -10.706 -4.822 680 HG21 THR 83 1HG2 THR 83 8.102 -10.810 -4.330 681 HG22 THR 83 2HG2 THR 83 7.816 -12.236 -3.339 682 HG23 THR 83 3HG2 THR 83 8.082 -12.408 -5.072 683 H LEU 84 H LEU 84 9.003 -10.013 -0.776 684 HA LEU 84 HA LEU 84 8.429 -7.566 -2.188 685 HB2 LEU 84 2HB LEU 84 6.946 -8.519 -0.374 686 HB3 LEU 84 1HB LEU 84 8.214 -8.200 0.791 687 HG LEU 84 HG LEU 84 7.920 -5.666 0.013 688 HD11 LEU 84 1HD1 LEU 84 6.414 -5.959 -1.840 689 HD12 LEU 84 2HD1 LEU 84 5.570 -5.106 -0.561 690 HD13 LEU 84 3HD1 LEU 84 5.258 -6.821 -0.829 691 HD21 LEU 84 1HD2 LEU 84 5.871 -6.993 1.810 692 HD22 LEU 84 2HD2 LEU 84 6.262 -5.270 1.772 693 HD23 LEU 84 3HD2 LEU 84 7.476 -6.437 2.287 694 H ASN 85 H ASN 85 9.290 -5.435 -1.558 695 HA ASN 85 HA ASN 85 12.172 -5.582 -1.425 696 HB2 ASN 85 2HB ASN 85 11.067 -3.839 -2.870 697 HB3 ASN 85 1HB ASN 85 10.474 -3.028 -1.424 698 HD21 ASN 85 1HD2 ASN 85 13.099 -3.353 -3.610 699 HD22 ASN 85 2HD2 ASN 85 14.199 -2.300 -2.791 700 H HIS 86 H HIS 86 9.634 -4.561 0.802 701 HA HIS 86 HA HIS 86 9.532 -4.693 3.056 702 HB2 HIS 86 2HB HIS 86 10.932 -6.731 2.835 703 HB3 HIS 86 1HB HIS 86 12.389 -5.749 2.902 704 HD1 HIS 86 HD1 HIS 86 9.750 -7.314 5.051 705 HD2 HIS 86 HD2 HIS 86 13.119 -4.916 5.519 706 HE1 HIS 86 HE1 HIS 86 10.328 -7.408 7.494 707 HE2 HIS 86 HE2 HIS 86 12.271 -5.843 7.760 708 H ASP 87 H ASP 87 11.615 -2.559 1.438 709 HA ASP 87 HA ASP 87 12.677 -1.165 3.717 710 HB2 ASP 87 2HB ASP 87 13.757 -1.093 1.452 711 HB3 ASP 87 1HB ASP 87 12.430 -0.124 0.837 712 H LEU 88 H LEU 88 9.503 -1.355 2.549 713 HA LEU 88 HA LEU 88 8.739 0.890 4.305 714 HB2 LEU 88 2HB LEU 88 6.656 1.222 3.013 715 HB3 LEU 88 1HB LEU 88 8.082 1.644 2.091 716 HG LEU 88 HG LEU 88 6.914 -1.115 1.642 717 HD11 LEU 88 1HD1 LEU 88 5.297 -0.280 -0.002 718 HD12 LEU 88 2HD1 LEU 88 5.677 1.384 0.441 719 HD13 LEU 88 3HD1 LEU 88 4.912 0.309 1.613 720 HD21 LEU 88 1HD2 LEU 88 7.720 -0.823 -0.600 721 HD22 LEU 88 2HD2 LEU 88 9.007 -0.315 0.481 722 HD23 LEU 88 3HD2 LEU 88 8.030 0.891 -0.340 723 H SER 89 H SER 89 9.363 -1.720 5.076 724 HA SER 89 HA SER 89 7.150 -3.441 5.368 725 HB2 SER 89 2HB SER 89 9.475 -4.179 5.767 726 HB3 SER 89 1HB SER 89 9.566 -3.159 7.205 727 HG SER 89 HG SER 89 7.888 -5.415 6.771 728 H GLU 90 H GLU 90 8.147 -0.583 7.066 729 HA GLU 90 HA GLU 90 6.576 -0.807 9.409 730 HB2 GLU 90 2HB GLU 90 8.563 0.689 9.096 731 HB3 GLU 90 1HB GLU 90 7.648 1.690 7.991 732 HG2 GLU 90 2HG GLU 90 6.886 1.315 10.904 733 HG3 GLU 90 1HG GLU 90 7.985 2.570 10.365 734 H LEU 91 H LEU 91 5.866 0.226 6.109 735 HA LEU 91 HA LEU 91 3.293 1.401 6.617 736 HB2 LEU 91 2HB LEU 91 4.810 1.747 4.579 737 HB3 LEU 91 1HB LEU 91 4.279 0.185 3.995 738 HG LEU 91 HG LEU 91 2.261 2.406 4.532 739 HD11 LEU 91 1HD1 LEU 91 3.963 3.376 3.051 740 HD12 LEU 91 2HD1 LEU 91 2.437 3.142 2.213 741 HD13 LEU 91 3HD1 LEU 91 3.773 2.028 1.928 742 HD21 LEU 91 1HD2 LEU 91 2.185 0.057 2.599 743 HD22 LEU 91 2HD2 LEU 91 0.917 1.268 2.808 744 HD23 LEU 91 3HD2 LEU 91 1.312 0.175 4.128 745 H TYR 92 H TYR 92 4.445 -1.864 5.776 746 HA TYR 92 HA TYR 92 1.929 -3.110 5.493 747 HB2 TYR 92 2HB TYR 92 3.945 -4.232 4.696 748 HB3 TYR 92 1HB TYR 92 4.594 -4.290 6.327 749 HD1 TYR 92 HD1 TYR 92 4.809 -6.575 6.872 750 HD2 TYR 92 HD2 TYR 92 1.174 -5.249 5.050 751 HE1 TYR 92 HE1 TYR 92 3.836 -8.809 7.170 752 HE2 TYR 92 HE2 TYR 92 0.207 -7.475 5.338 753 HH TYR 92 HH TYR 92 1.635 -9.864 7.296 754 H LYS 93 H LYS 93 4.020 -2.439 8.228 755 HA LYS 93 HA LYS 93 2.485 -3.754 10.260 756 HB2 LYS 93 2HB LYS 93 4.893 -3.378 10.540 757 HB3 LYS 93 1HB LYS 93 4.669 -1.637 10.416 758 HG2 LYS 93 2HG LYS 93 3.363 -1.671 12.539 759 HG3 LYS 93 1HG LYS 93 3.637 -3.411 12.656 760 HD2 LYS 93 2HD LYS 93 5.194 -2.134 14.099 761 HD3 LYS 93 1HD LYS 93 6.054 -3.050 12.859 762 HE2 LYS 93 2HE LYS 93 6.293 -0.988 11.509 763 HE3 LYS 93 1HE LYS 93 5.422 -0.078 12.745 764 HZ1 LYS 93 1HZ LYS 93 7.974 -1.517 13.231 765 HZ2 LYS 93 2HZ LYS 93 7.172 -0.480 14.294 766 HZ3 LYS 93 3HZ LYS 93 7.858 0.135 12.884 767 H PHE 94 H PHE 94 2.442 -0.573 8.757 768 HA PHE 94 HA PHE 94 0.969 0.838 10.733 769 HB2 PHE 94 2HB PHE 94 2.192 2.101 9.059 770 HB3 PHE 94 1HB PHE 94 1.317 1.327 7.744 771 HD1 PHE 94 HD1 PHE 94 -0.598 2.393 6.838 772 HD2 PHE 94 HD2 PHE 94 0.782 3.573 10.711 773 HE1 PHE 94 HE1 PHE 94 -2.255 4.210 6.878 774 HE2 PHE 94 HE2 PHE 94 -0.879 5.380 10.741 775 HZ PHE 94 HZ PHE 94 -2.398 5.704 8.829 776 H ILE 95 H ILE 95 -0.050 -0.863 7.742 777 HA ILE 95 HA ILE 95 -2.849 -0.351 8.198 778 HB ILE 95 HB ILE 95 -3.375 -1.522 6.230 779 HG12 ILE 95 2HG1 ILE 95 -0.802 -3.086 6.553 780 HG13 ILE 95 1HG1 ILE 95 -2.441 -3.679 6.439 781 HG21 ILE 95 1HG2 ILE 95 -1.874 -0.587 4.520 782 HG22 ILE 95 2HG2 ILE 95 -0.667 -0.260 5.765 783 HG23 ILE 95 3HG2 ILE 95 -2.228 0.557 5.815 784 HD11 ILE 95 1HD1 ILE 95 -2.516 -3.131 4.091 785 HD12 ILE 95 2HD1 ILE 95 -1.163 -4.201 4.456 786 HD13 ILE 95 3HD1 ILE 95 -0.873 -2.487 4.159 787 H THR 96 H THR 96 -0.780 -2.428 9.798 788 HA THR 96 HA THR 96 -3.001 -4.214 10.621 789 HB THR 96 HB THR 96 -1.118 -5.609 11.663 790 HG1 THR 96 HG1 THR 96 0.732 -4.580 9.904 791 HG21 THR 96 1HG2 THR 96 -2.158 -6.268 9.509 792 HG22 THR 96 2HG2 THR 96 -0.462 -6.728 9.600 793 HG23 THR 96 3HG2 THR 96 -0.945 -5.326 8.652 794 H SER 97 H SER 97 -1.104 -1.497 11.599 795 HA SER 97 HA SER 97 -0.507 -2.082 14.304 796 HB2 SER 97 2HB SER 97 0.661 -0.282 13.045 797 HB3 SER 97 1HB SER 97 -0.831 0.657 12.978 798 HG SER 97 HG SER 97 0.970 0.297 15.064 799 H SER 98 H SER 98 -1.965 -2.551 15.803 800 HA SER 98 HA SER 98 -3.857 -2.691 17.035 801 HB2 SER 98 2HB SER 98 -3.999 0.312 16.528 802 HB3 SER 98 1HB SER 98 -4.840 -0.553 17.816 803 HG SER 98 HG SER 98 -2.182 -1.094 17.815 804 H LYS 99 H LYS 99 -4.196 -3.571 14.549 805 HA LYS 99 HA LYS 99 -5.664 -4.237 12.982 806 HB2 LYS 99 2HB LYS 99 -7.779 -2.875 14.709 807 HB3 LYS 99 1HB LYS 99 -8.116 -3.963 13.371 808 HG2 LYS 99 2HG LYS 99 -6.664 -4.704 15.913 809 HG3 LYS 99 1HG LYS 99 -8.349 -5.073 15.547 810 HD2 LYS 99 2HD LYS 99 -7.671 -6.542 13.709 811 HD3 LYS 99 1HD LYS 99 -5.979 -6.081 13.926 812 HE2 LYS 99 2HE LYS 99 -5.953 -7.133 16.142 813 HE3 LYS 99 1HE LYS 99 -7.661 -7.557 15.981 814 HZ1 LYS 99 1HZ LYS 99 -7.100 -8.938 14.090 815 HZ2 LYS 99 2HZ LYS 99 -6.221 -9.416 15.447 816 HZ3 LYS 99 3HZ LYS 99 -5.470 -8.524 14.226 817 H ALA 100 H ALA 100 -4.559 -1.322 13.109 818 HA ALA 100 HA ALA 100 -4.566 0.604 11.960 819 HB1 ALA 100 1HB ALA 100 -5.329 0.518 9.587 820 HB2 ALA 100 2HB ALA 100 -5.916 -1.113 9.886 821 HB3 ALA 100 3HB ALA 100 -4.201 -0.748 10.037 822 H SER 101 H SER 101 -6.967 -0.163 13.659 823 HA SER 101 HA SER 101 -8.960 1.759 12.666 824 HB2 SER 101 2HB SER 101 -9.778 -0.477 13.441 825 HB3 SER 101 1HB SER 101 -9.114 -0.161 15.044 826 HG SER 101 HG SER 101 -11.128 0.532 15.279 827 H ASN 102 H ASN 102 -7.726 3.602 12.991 828 HA ASN 102 HA ASN 102 -7.641 4.656 15.721 829 HB2 ASN 102 2HB ASN 102 -5.372 3.591 15.378 830 HB3 ASN 102 1HB ASN 102 -5.121 4.628 13.973 831 HD21 ASN 102 1HD2 ASN 102 -3.295 5.597 14.892 832 HD22 ASN 102 2HD2 ASN 102 -3.389 6.705 16.213 833 H LYS 103 H LYS 103 -7.633 6.936 15.777 834 HA LYS 103 HA LYS 103 -8.127 9.059 15.160 835 HB2 LYS 103 2HB LYS 103 -6.706 8.277 12.578 836 HB3 LYS 103 1HB LYS 103 -7.075 9.931 13.066 837 HG2 LYS 103 2HG LYS 103 -5.570 9.784 14.951 838 HG3 LYS 103 1HG LYS 103 -5.292 8.062 14.659 839 HD2 LYS 103 2HD LYS 103 -4.225 8.598 12.490 840 HD3 LYS 103 1HD LYS 103 -4.518 10.319 12.760 841 HE2 LYS 103 2HE LYS 103 -3.060 10.262 14.736 842 HE3 LYS 103 1HE LYS 103 -2.790 8.535 14.498 843 HZ1 LYS 103 1HZ LYS 103 -0.964 9.816 13.622 844 HZ2 LYS 103 2HZ LYS 103 -2.007 10.690 12.617 845 HZ3 LYS 103 3HZ LYS 103 -1.776 9.035 12.364 846 H ASN 104 H ASN 104 -10.025 6.945 14.630 847 HA ASN 104 HA ASN 104 -11.926 6.374 13.636 848 HB2 ASN 104 2HB ASN 104 -11.825 9.156 12.385 849 HB3 ASN 104 1HB ASN 104 -13.152 8.026 12.126 850 HD21 ASN 104 1HD2 ASN 104 -14.610 9.511 13.065 851 HD22 ASN 104 2HD2 ASN 104 -14.677 9.748 14.773 852 H LEU 105 H LEU 105 -11.543 4.678 12.395 853 HA LEU 105 HA LEU 105 -9.917 4.647 10.050 854 HB2 LEU 105 2HB LEU 105 -10.348 2.711 11.613 855 HB3 LEU 105 1HB LEU 105 -11.988 2.612 11.018 856 HG LEU 105 HG LEU 105 -9.599 2.167 9.167 857 HD11 LEU 105 1HD1 LEU 105 -9.866 -0.271 9.544 858 HD12 LEU 105 2HD1 LEU 105 -10.991 0.063 10.860 859 HD13 LEU 105 3HD1 LEU 105 -9.306 0.580 10.982 860 HD21 LEU 105 1HD2 LEU 105 -11.209 0.818 7.854 861 HD22 LEU 105 2HD2 LEU 105 -11.725 2.489 8.009 862 HD23 LEU 105 3HD2 LEU 105 -12.486 1.245 8.995 863 H GLY 106 H GLY 106 -13.269 5.325 10.720 864 HA2 GLY 106 2HA GLY 106 -14.915 6.235 9.368 865 HA3 GLY 106 1HA GLY 106 -13.912 5.972 7.946 866 H GLY 107 H GLY 107 -14.411 3.376 10.184 867 HA2 GLY 107 2HA GLY 107 -16.706 2.101 9.541 868 HA3 GLY 107 1HA GLY 107 -15.675 1.723 8.158 869 H GLY 108 H GLY 108 -16.333 -0.444 9.296 870 HA2 GLY 108 2HA GLY 108 -15.554 -2.371 10.235 871 HA3 GLY 108 1HA GLY 108 -13.960 -1.634 10.235 872 H LEU 109 H LEU 109 -17.047 -1.564 12.009 873 HA LEU 109 HA LEU 109 -16.005 -0.443 14.410 874 HB2 LEU 109 2HB LEU 109 -18.610 -1.915 13.826 875 HB3 LEU 109 1HB LEU 109 -18.221 -1.277 15.414 876 HG LEU 109 HG LEU 109 -18.101 1.042 14.384 877 HD11 LEU 109 1HD1 LEU 109 -19.318 -0.277 11.950 878 HD12 LEU 109 2HD1 LEU 109 -17.705 0.433 12.050 879 HD13 LEU 109 3HD1 LEU 109 -19.128 1.458 12.216 880 HD21 LEU 109 1HD2 LEU 109 -20.081 0.294 15.620 881 HD22 LEU 109 2HD2 LEU 109 -20.771 -0.371 14.138 882 HD23 LEU 109 3HD2 LEU 109 -20.524 1.371 14.296 883 H ILE 110 H ILE 110 -16.955 -3.743 13.492 884 HA ILE 110 HA ILE 110 -15.339 -4.850 15.727 885 HB ILE 110 HB ILE 110 -16.774 -6.856 15.698 886 HG12 ILE 110 2HG1 ILE 110 -18.373 -5.466 13.484 887 HG13 ILE 110 1HG1 ILE 110 -17.403 -6.915 13.307 888 HG21 ILE 110 1HG2 ILE 110 -18.448 -4.321 15.940 889 HG22 ILE 110 2HG2 ILE 110 -17.534 -5.105 17.234 890 HG23 ILE 110 3HG2 ILE 110 -18.936 -5.907 16.538 891 HD11 ILE 110 1HD1 ILE 110 -19.960 -6.711 14.914 892 HD12 ILE 110 2HD1 ILE 110 -18.992 -8.171 14.680 893 HD13 ILE 110 3HD1 ILE 110 -19.783 -7.411 13.305 894 H MET 111 H MET 111 -13.762 -6.189 15.258 895 HA MET 111 HA MET 111 -13.675 -7.876 12.926 896 HB2 MET 111 2HB MET 111 -11.501 -7.114 12.060 897 HB3 MET 111 1HB MET 111 -12.666 -5.805 11.981 898 HG2 MET 111 2HG MET 111 -11.649 -4.772 13.972 899 HG3 MET 111 1HG MET 111 -10.484 -6.093 14.059 900 HE1 MET 111 1HE MET 111 -11.847 -3.946 10.908 901 HE2 MET 111 2HE MET 111 -10.513 -2.800 10.803 902 HE3 MET 111 3HE MET 111 -11.559 -2.804 12.221 903 H SER 112 H SER 112 -11.499 -9.183 13.087 904 HA SER 112 HA SER 112 -10.374 -9.456 15.728 905 HB2 SER 112 2HB SER 112 -12.541 -10.624 16.069 906 HB3 SER 112 1HB SER 112 -12.244 -11.638 14.656 907 HG SER 112 HG SER 112 -11.160 -12.914 15.904 908 H TRP 113 H TRP 113 -11.033 -11.601 12.941 909 HA TRP 113 HA TRP 113 -9.782 -12.775 11.497 910 HB2 TRP 113 2HB TRP 113 -7.741 -10.548 11.880 911 HB3 TRP 113 1HB TRP 113 -7.719 -11.727 10.576 912 HD1 TRP 113 HD1 TRP 113 -9.546 -8.564 11.722 913 HE1 TRP 113 HE1 TRP 113 -10.900 -7.644 9.744 914 HE3 TRP 113 HE3 TRP 113 -8.917 -12.422 8.427 915 HZ2 TRP 113 HZ2 TRP 113 -11.607 -8.433 7.144 916 HZ3 TRP 113 HZ3 TRP 113 -9.966 -12.267 6.209 917 HH2 TRP 113 HH2 TRP 113 -11.287 -10.308 5.581 918 H GLY 114 H GLY 114 -6.965 -11.594 13.295 919 HA2 GLY 114 2HA GLY 114 -6.505 -13.952 14.848 920 HA3 GLY 114 1HA GLY 114 -5.511 -13.934 13.387 921 H ARG 115 H ARG 115 -3.888 -13.924 15.307 922 HA ARG 115 HA ARG 115 -3.059 -11.125 15.796 923 HB2 ARG 115 2HB ARG 115 -4.285 -11.956 17.827 924 HB3 ARG 115 1HB ARG 115 -3.129 -13.273 17.968 925 HG2 ARG 115 2HG ARG 115 -1.303 -11.570 18.285 926 HG3 ARG 115 1HG ARG 115 -2.530 -10.304 18.270 927 HD2 ARG 115 2HD ARG 115 -1.890 -10.871 20.573 928 HD3 ARG 115 1HD ARG 115 -3.578 -11.316 20.281 929 HE ARG 115 HE ARG 115 -1.899 -13.522 19.735 930 HH11 ARG 115 1HH1 ARG 115 -3.107 -11.718 22.515 931 HH12 ARG 115 2HH1 ARG 115 -2.978 -13.071 23.590 932 HH21 ARG 115 1HH2 ARG 115 -1.758 -15.278 21.155 933 HH22 ARG 115 2HH2 ARG 115 -2.215 -15.086 22.818 934 H LEU 116 H LEU 116 -1.378 -11.192 14.460 935 HA LEU 116 HA LEU 116 1.043 -12.514 15.243 936 HB2 LEU 116 2HB LEU 116 -0.299 -14.251 13.846 937 HB3 LEU 116 1HB LEU 116 -0.009 -13.224 12.464 938 HG LEU 116 HG LEU 116 2.214 -14.549 14.088 939 HD11 LEU 116 1HD1 LEU 116 1.013 -15.485 11.459 940 HD12 LEU 116 2HD1 LEU 116 0.797 -16.260 13.030 941 HD13 LEU 116 3HD1 LEU 116 2.395 -16.204 12.293 942 HD21 LEU 116 1HD2 LEU 116 2.328 -13.220 11.357 943 HD22 LEU 116 2HD2 LEU 116 3.662 -14.056 12.157 944 HD23 LEU 116 3HD2 LEU 116 3.006 -12.579 12.854 945 H PHE 117 H PHE 117 -0.528 -11.110 12.348 946 HA PHE 117 HA PHE 117 1.624 -9.130 12.034 947 HB2 PHE 117 2HB PHE 117 -0.758 -9.745 10.221 948 HB3 PHE 117 1HB PHE 117 0.523 -8.594 9.861 949 HD1 PHE 117 HD1 PHE 117 2.997 -9.624 10.010 950 HD2 PHE 117 HD2 PHE 117 -0.557 -11.885 9.265 951 HE1 PHE 117 HE1 PHE 117 4.334 -11.393 8.953 952 HE2 PHE 117 HE2 PHE 117 0.790 -13.650 8.211 953 HZ PHE 117 HZ PHE 117 3.234 -13.404 8.053 Start of MODEL 5 1 H1 MET 1 1H MET 1 16.302 -7.070 -0.477 2 H2 MET 1 2H MET 1 14.859 -6.212 -0.593 3 H3 MET 1 3H MET 1 14.982 -7.752 -1.267 4 HA MET 1 HA MET 1 13.739 -7.755 0.804 5 HB2 MET 1 2HB MET 1 16.426 -9.194 0.868 6 HB3 MET 1 1HB MET 1 15.055 -9.617 1.889 7 HG2 MET 1 2HG MET 1 13.753 -10.238 -0.084 8 HG3 MET 1 1HG MET 1 15.069 -9.740 -1.144 9 HE1 MET 1 1HE MET 1 17.669 -10.878 0.430 10 HE2 MET 1 2HE MET 1 17.435 -11.094 -1.306 11 HE3 MET 1 3HE MET 1 17.807 -12.482 -0.288 12 H SER 2 H SER 2 17.229 -7.170 1.477 13 HA SER 2 HA SER 2 16.620 -6.215 4.161 14 HB2 SER 2 2HB SER 2 19.297 -6.636 2.766 15 HB3 SER 2 1HB SER 2 19.066 -6.313 4.488 16 HG SER 2 HG SER 2 17.692 -8.293 4.407 17 H GLY 3 H GLY 3 17.772 -4.823 1.082 18 HA2 GLY 3 2HA GLY 3 18.930 -2.440 2.144 19 HA3 GLY 3 1HA GLY 3 18.476 -2.716 0.474 20 H SER 4 H SER 4 17.791 -0.894 3.213 21 HA SER 4 HA SER 4 15.107 -0.080 2.237 22 HB2 SER 4 2HB SER 4 14.978 1.023 4.566 23 HB3 SER 4 1HB SER 4 14.960 -0.737 4.537 24 HG SER 4 HG SER 4 16.638 -0.665 5.779 25 H HIS 5 H HIS 5 15.074 1.669 1.051 26 HA HIS 5 HA HIS 5 17.219 3.360 0.413 27 HB2 HIS 5 2HB HIS 5 14.233 3.873 0.051 28 HB3 HIS 5 1HB HIS 5 15.520 4.743 -0.773 29 HD1 HIS 5 HD1 HIS 5 13.152 2.254 -1.443 30 HD2 HIS 5 HD2 HIS 5 17.195 2.646 -2.311 31 HE1 HIS 5 HE1 HIS 5 13.580 0.692 -3.349 32 HE2 HIS 5 HE2 HIS 5 16.044 0.871 -3.789 33 H HIS 6 H HIS 6 18.125 4.947 1.564 34 HA HIS 6 HA HIS 6 16.918 6.020 3.969 35 HB2 HIS 6 2HB HIS 6 19.124 7.147 4.304 36 HB3 HIS 6 1HB HIS 6 19.285 5.416 4.041 37 HD1 HIS 6 HD1 HIS 6 20.247 4.692 1.647 38 HD2 HIS 6 HD2 HIS 6 20.561 8.740 2.524 39 HE1 HIS 6 HE1 HIS 6 21.856 5.624 -0.035 40 HE2 HIS 6 HE2 HIS 6 22.145 8.034 0.612 41 H HIS 7 H HIS 7 15.137 6.947 2.498 42 HA HIS 7 HA HIS 7 15.743 9.794 1.925 43 HB2 HIS 7 2HB HIS 7 14.231 7.838 0.171 44 HB3 HIS 7 1HB HIS 7 13.802 9.544 0.130 45 HD1 HIS 7 HD1 HIS 7 14.894 8.193 -2.379 46 HD2 HIS 7 HD2 HIS 7 17.280 10.199 0.361 47 HE1 HIS 7 HE1 HIS 7 16.931 8.916 -3.657 48 HE2 HIS 7 HE2 HIS 7 18.434 9.944 -1.928 49 H HIS 8 H HIS 8 14.169 11.250 2.420 50 HA HIS 8 HA HIS 8 12.340 10.608 4.543 51 HB2 HIS 8 2HB HIS 8 12.742 13.205 2.982 52 HB3 HIS 8 1HB HIS 8 11.789 13.046 4.454 53 HD1 HIS 8 HD1 HIS 8 15.235 13.567 3.239 54 HD2 HIS 8 HD2 HIS 8 13.360 12.582 6.816 55 HE1 HIS 8 HE1 HIS 8 16.953 13.932 5.034 56 HE2 HIS 8 HE2 HIS 8 15.844 13.187 7.157 57 H HIS 9 H HIS 9 10.045 11.669 4.340 58 HA HIS 9 HA HIS 9 8.580 10.321 2.266 59 HB2 HIS 9 2HB HIS 9 7.629 12.305 4.380 60 HB3 HIS 9 1HB HIS 9 6.570 11.356 3.341 61 HD1 HIS 9 HD1 HIS 9 8.395 11.217 6.512 62 HD2 HIS 9 HD2 HIS 9 6.690 8.498 3.879 63 HE1 HIS 9 HE1 HIS 9 8.149 9.083 7.805 64 HE2 HIS 9 HE2 HIS 9 6.918 7.540 6.253 65 H HIS 10 H HIS 10 7.188 11.338 0.665 66 HA HIS 10 HA HIS 10 8.481 13.582 -0.649 67 HB2 HIS 10 2HB HIS 10 7.595 11.632 -1.953 68 HB3 HIS 10 1HB HIS 10 5.955 12.069 -1.482 69 HD1 HIS 10 HD1 HIS 10 4.860 14.053 -2.720 70 HD2 HIS 10 HD2 HIS 10 8.786 13.358 -3.882 71 HE1 HIS 10 HE1 HIS 10 5.224 15.462 -4.761 72 HE2 HIS 10 HE2 HIS 10 7.541 14.892 -5.535 73 H SER 11 H SER 11 8.069 15.150 1.047 74 HA SER 11 HA SER 11 5.311 16.029 1.551 75 HB2 SER 11 2HB SER 11 6.985 15.738 3.414 76 HB3 SER 11 1HB SER 11 7.920 17.070 2.743 77 HG SER 11 HG SER 11 5.971 17.232 4.458 78 H SER 12 H SER 12 5.194 18.613 1.789 79 HA SER 12 HA SER 12 4.768 20.529 0.645 80 HB2 SER 12 2HB SER 12 7.513 20.053 -0.612 81 HB3 SER 12 1HB SER 12 6.645 21.592 -0.589 82 HG SER 12 HG SER 12 6.673 21.032 1.867 83 H GLY 13 H GLY 13 3.966 17.941 -0.474 84 HA2 GLY 13 2HA GLY 13 2.804 18.651 -2.927 85 HA3 GLY 13 1HA GLY 13 4.274 17.730 -3.259 86 H ILE 14 H ILE 14 1.226 17.685 -1.520 87 HA ILE 14 HA ILE 14 0.819 14.835 -1.915 88 HB ILE 14 HB ILE 14 0.610 13.938 0.259 89 HG12 ILE 14 2HG1 ILE 14 0.612 16.680 1.658 90 HG13 ILE 14 1HG1 ILE 14 -0.786 15.658 1.369 91 HG21 ILE 14 1HG2 ILE 14 2.672 14.262 1.516 92 HG22 ILE 14 2HG2 ILE 14 2.999 15.745 0.613 93 HG23 ILE 14 3HG2 ILE 14 2.960 14.197 -0.226 94 HD11 ILE 14 1HD1 ILE 14 0.176 13.955 2.832 95 HD12 ILE 14 2HD1 ILE 14 -0.066 15.497 3.648 96 HD13 ILE 14 3HD1 ILE 14 1.555 15.011 3.151 97 H GLU 15 H GLU 15 -1.350 14.531 -2.346 98 HA GLU 15 HA GLU 15 -3.286 16.462 -1.245 99 HB2 GLU 15 2HB GLU 15 -2.352 16.886 -3.744 100 HB3 GLU 15 1HB GLU 15 -3.554 15.682 -4.159 101 HG2 GLU 15 2HG GLU 15 -4.167 18.240 -2.654 102 HG3 GLU 15 1HG GLU 15 -4.309 18.071 -4.400 103 H GLY 16 H GLY 16 -5.160 15.524 -0.603 104 HA2 GLY 16 2HA GLY 16 -6.795 13.710 -0.637 105 HA3 GLY 16 1HA GLY 16 -5.492 12.591 -1.017 106 H ARG 17 H ARG 17 -6.230 15.078 1.381 107 HA ARG 17 HA ARG 17 -5.101 13.429 3.564 108 HB2 ARG 17 2HB ARG 17 -5.465 16.460 3.372 109 HB3 ARG 17 1HB ARG 17 -4.792 15.602 4.752 110 HG2 ARG 17 2HG ARG 17 -2.886 14.843 3.352 111 HG3 ARG 17 1HG ARG 17 -3.558 15.725 1.978 112 HD2 ARG 17 2HD ARG 17 -1.743 17.001 3.051 113 HD3 ARG 17 1HD ARG 17 -3.280 17.853 3.193 114 HE ARG 17 HE ARG 17 -2.255 16.203 5.416 115 HH11 ARG 17 1HH1 ARG 17 -3.228 19.392 4.253 116 HH12 ARG 17 2HH1 ARG 17 -3.197 20.105 5.839 117 HH21 ARG 17 1HH2 ARG 17 -2.258 17.139 7.476 118 HH22 ARG 17 2HH2 ARG 17 -2.645 18.822 7.662 119 H GLY 18 H GLY 18 -7.936 13.581 2.301 120 HA2 GLY 18 2HA GLY 18 -9.814 12.782 3.718 121 HA3 GLY 18 1HA GLY 18 -9.503 14.157 4.765 122 H ARG 19 H ARG 19 -9.946 13.587 1.271 123 HA ARG 19 HA ARG 19 -10.706 16.237 0.643 124 HB2 ARG 19 2HB ARG 19 -11.143 13.644 -0.892 125 HB3 ARG 19 1HB ARG 19 -11.365 15.252 -1.574 126 HG2 ARG 19 2HG ARG 19 -9.008 15.729 -1.417 127 HG3 ARG 19 1HG ARG 19 -8.714 14.246 -0.499 128 HD2 ARG 19 2HD ARG 19 -9.322 12.877 -2.420 129 HD3 ARG 19 1HD ARG 19 -9.788 14.310 -3.343 130 HE ARG 19 HE ARG 19 -7.143 14.672 -2.629 131 HH11 ARG 19 1HH1 ARG 19 -8.979 12.382 -4.598 132 HH12 ARG 19 2HH1 ARG 19 -7.645 12.052 -5.655 133 HH21 ARG 19 1HH2 ARG 19 -5.436 14.225 -4.021 134 HH22 ARG 19 2HH2 ARG 19 -5.625 13.100 -5.326 135 H MET 20 H MET 20 -12.717 13.271 0.532 136 HA MET 20 HA MET 20 -15.209 14.612 0.199 137 HB2 MET 20 2HB MET 20 -14.563 11.724 0.974 138 HB3 MET 20 1HB MET 20 -16.187 12.307 0.646 139 HG2 MET 20 2HG MET 20 -15.519 12.852 -1.673 140 HG3 MET 20 1HG MET 20 -13.902 12.237 -1.336 141 HE1 MET 20 1HE MET 20 -17.728 11.296 -1.642 142 HE2 MET 20 2HE MET 20 -17.349 10.660 -0.039 143 HE3 MET 20 3HE MET 20 -17.686 9.556 -1.374 144 H LYS 21 H LYS 21 -13.280 13.841 2.932 145 HA LYS 21 HA LYS 21 -13.368 14.320 5.099 146 HB2 LYS 21 2HB LYS 21 -14.581 16.409 4.393 147 HB3 LYS 21 1HB LYS 21 -16.103 15.579 4.693 148 HG2 LYS 21 2HG LYS 21 -15.587 15.393 7.067 149 HG3 LYS 21 1HG LYS 21 -13.968 16.042 6.803 150 HD2 LYS 21 2HD LYS 21 -14.952 18.221 6.125 151 HD3 LYS 21 1HD LYS 21 -16.573 17.569 6.389 152 HE2 LYS 21 2HE LYS 21 -16.082 17.276 8.781 153 HE3 LYS 21 1HE LYS 21 -14.433 17.851 8.526 154 HZ1 LYS 21 1HZ LYS 21 -16.888 19.457 8.072 155 HZ2 LYS 21 2HZ LYS 21 -15.298 19.998 7.895 156 HZ3 LYS 21 3HZ LYS 21 -15.880 19.570 9.420 157 H LYS 22 H LYS 22 -15.363 12.191 3.610 158 HA LYS 22 HA LYS 22 -17.072 11.372 5.808 159 HB2 LYS 22 2HB LYS 22 -16.747 10.402 2.931 160 HB3 LYS 22 1HB LYS 22 -17.858 9.657 4.075 161 HG2 LYS 22 2HG LYS 22 -17.960 12.565 3.203 162 HG3 LYS 22 1HG LYS 22 -19.007 11.274 2.602 163 HD2 LYS 22 2HD LYS 22 -19.934 10.934 4.844 164 HD3 LYS 22 1HD LYS 22 -18.836 12.137 5.517 165 HE2 LYS 22 2HE LYS 22 -21.065 13.071 5.277 166 HE3 LYS 22 1HE LYS 22 -19.966 13.885 4.166 167 HZ1 LYS 22 1HZ LYS 22 -22.156 13.300 3.209 168 HZ2 LYS 22 2HZ LYS 22 -21.764 11.664 3.378 169 HZ3 LYS 22 3HZ LYS 22 -20.847 12.647 2.360 170 H LYS 23 H LYS 23 -14.020 10.522 4.538 171 HA LYS 23 HA LYS 23 -13.882 7.936 5.938 172 HB2 LYS 23 2HB LYS 23 -11.697 9.324 4.301 173 HB3 LYS 23 1HB LYS 23 -11.681 7.671 4.894 174 HG2 LYS 23 2HG LYS 23 -12.082 7.545 2.563 175 HG3 LYS 23 1HG LYS 23 -13.627 7.190 3.341 176 HD2 LYS 23 2HD LYS 23 -14.458 9.415 2.834 177 HD3 LYS 23 1HD LYS 23 -12.876 9.927 2.235 178 HE2 LYS 23 2HE LYS 23 -14.527 9.398 0.429 179 HE3 LYS 23 1HE LYS 23 -13.053 8.435 0.336 180 HZ1 LYS 23 1HZ LYS 23 -15.522 7.460 1.651 181 HZ2 LYS 23 2HZ LYS 23 -14.166 6.562 1.187 182 HZ3 LYS 23 3HZ LYS 23 -15.195 7.208 0.019 183 H GLN 24 H GLN 24 -11.558 7.736 7.042 184 HA GLN 24 HA GLN 24 -11.352 9.712 9.126 185 HB2 GLN 24 2HB GLN 24 -9.747 7.221 8.447 186 HB3 GLN 24 1HB GLN 24 -9.406 8.237 9.846 187 HG2 GLN 24 2HG GLN 24 -11.678 7.813 10.719 188 HG3 GLN 24 1HG GLN 24 -12.024 6.802 9.312 189 HE21 GLN 24 1HE2 GLN 24 -12.489 5.088 10.728 190 HE22 GLN 24 2HE2 GLN 24 -11.240 4.204 11.517 191 H ILE 25 H ILE 25 -10.193 11.491 9.040 192 HA ILE 25 HA ILE 25 -8.841 12.277 6.636 193 HB ILE 25 HB ILE 25 -9.626 13.638 9.232 194 HG12 ILE 25 2HG1 ILE 25 -10.739 15.334 7.857 195 HG13 ILE 25 1HG1 ILE 25 -10.020 14.722 6.384 196 HG21 ILE 25 1HG2 ILE 25 -8.425 15.737 8.741 197 HG22 ILE 25 2HG2 ILE 25 -7.602 14.944 7.399 198 HG23 ILE 25 3HG2 ILE 25 -7.317 14.397 9.048 199 HD11 ILE 25 1HD1 ILE 25 -12.110 13.361 8.079 200 HD12 ILE 25 2HD1 ILE 25 -11.417 12.698 6.596 201 HD13 ILE 25 3HD1 ILE 25 -12.353 14.182 6.546 202 H GLU 26 H GLU 26 -7.853 11.429 9.922 203 HA GLU 26 HA GLU 26 -5.088 12.048 9.674 204 HB2 GLU 26 2HB GLU 26 -6.273 11.796 11.856 205 HB3 GLU 26 1HB GLU 26 -6.461 10.072 11.554 206 HG2 GLU 26 2HG GLU 26 -3.984 9.830 11.560 207 HG3 GLU 26 1HG GLU 26 -3.833 11.547 11.928 208 H PHE 27 H PHE 27 -6.973 9.047 9.201 209 HA PHE 27 HA PHE 27 -4.700 7.381 8.752 210 HB2 PHE 27 2HB PHE 27 -7.164 6.703 9.498 211 HB3 PHE 27 1HB PHE 27 -7.448 6.553 7.768 212 HD1 PHE 27 HD1 PHE 27 -5.821 5.092 10.701 213 HD2 PHE 27 HD2 PHE 27 -6.148 4.811 6.442 214 HE1 PHE 27 HE1 PHE 27 -4.761 2.879 10.757 215 HE2 PHE 27 HE2 PHE 27 -5.088 2.590 6.538 216 HZ PHE 27 HZ PHE 27 -4.386 1.632 8.673 217 H GLU 28 H GLU 28 -6.908 9.161 6.615 218 HA GLU 28 HA GLU 28 -5.872 8.117 4.153 219 HB2 GLU 28 2HB GLU 28 -7.595 10.534 4.759 220 HB3 GLU 28 1HB GLU 28 -6.936 10.276 3.147 221 HG2 GLU 28 2HG GLU 28 -8.036 7.973 3.228 222 HG3 GLU 28 1HG GLU 28 -8.918 8.555 4.644 223 H ASN 29 H ASN 29 -5.216 11.007 6.111 224 HA ASN 29 HA ASN 29 -3.485 12.304 4.299 225 HB2 ASN 29 2HB ASN 29 -4.356 13.562 6.205 226 HB3 ASN 29 1HB ASN 29 -3.575 12.481 7.354 227 HD21 ASN 29 1HD2 ASN 29 -2.360 14.026 8.358 228 HD22 ASN 29 2HD2 ASN 29 -1.073 14.894 7.600 229 H GLU 30 H GLU 30 -2.829 9.946 6.901 230 HA GLU 30 HA GLU 30 0.034 10.157 6.573 231 HB2 GLU 30 2HB GLU 30 -1.010 9.755 8.792 232 HB3 GLU 30 1HB GLU 30 -1.588 8.186 8.235 233 HG2 GLU 30 2HG GLU 30 0.407 7.913 9.608 234 HG3 GLU 30 1HG GLU 30 0.747 7.426 7.948 235 H LEU 31 H LEU 31 -2.436 7.695 5.816 236 HA LEU 31 HA LEU 31 -0.664 5.685 4.841 237 HB2 LEU 31 2HB LEU 31 -2.915 4.864 5.231 238 HB3 LEU 31 1HB LEU 31 -3.620 6.120 4.243 239 HG LEU 31 HG LEU 31 -2.335 4.859 2.231 240 HD11 LEU 31 1HD1 LEU 31 -1.186 3.121 3.489 241 HD12 LEU 31 2HD1 LEU 31 -2.327 2.442 2.352 242 HD13 LEU 31 3HD1 LEU 31 -2.728 2.486 4.060 243 HD21 LEU 31 1HD2 LEU 31 -5.018 3.893 3.287 244 HD22 LEU 31 2HD2 LEU 31 -4.355 3.503 1.706 245 HD23 LEU 31 3HD2 LEU 31 -4.721 5.173 2.102 246 H ARG 32 H ARG 32 -2.409 8.297 3.197 247 HA ARG 32 HA ARG 32 -1.590 7.499 0.576 248 HB2 ARG 32 2HB ARG 32 -3.783 8.553 1.084 249 HB3 ARG 32 1HB ARG 32 -2.948 10.064 1.414 250 HG2 ARG 32 2HG ARG 32 -2.245 10.250 -0.882 251 HG3 ARG 32 1HG ARG 32 -2.835 8.631 -1.252 252 HD2 ARG 32 2HD ARG 32 -5.149 9.392 -0.810 253 HD3 ARG 32 1HD ARG 32 -4.533 11.017 -0.466 254 HE ARG 32 HE ARG 32 -3.547 10.706 -2.863 255 HH11 ARG 32 1HH1 ARG 32 -6.771 9.858 -1.772 256 HH12 ARG 32 2HH1 ARG 32 -7.479 10.079 -3.339 257 HH21 ARG 32 1HH2 ARG 32 -4.443 10.904 -4.896 258 HH22 ARG 32 2HH2 ARG 32 -6.151 10.674 -5.119 259 H SER 33 H SER 33 -0.447 9.837 2.959 260 HA SER 33 HA SER 33 1.401 11.224 1.283 261 HB2 SER 33 2HB SER 33 0.635 12.040 3.512 262 HB3 SER 33 1HB SER 33 1.540 10.745 4.287 263 HG SER 33 HG SER 33 3.034 12.226 4.324 264 H MET 34 H MET 34 1.664 8.301 3.331 265 HA MET 34 HA MET 34 4.464 7.859 2.718 266 HB2 MET 34 2HB MET 34 2.431 5.981 4.020 267 HB3 MET 34 1HB MET 34 4.142 5.627 3.855 268 HG2 MET 34 2HG MET 34 4.570 7.720 5.284 269 HG3 MET 34 1HG MET 34 2.841 7.705 5.625 270 HE1 MET 34 1HE MET 34 2.314 4.515 5.655 271 HE2 MET 34 2HE MET 34 1.620 5.591 6.872 272 HE3 MET 34 3HE MET 34 2.518 4.158 7.367 273 H LEU 35 H LEU 35 1.457 7.061 1.231 274 HA LEU 35 HA LEU 35 2.498 4.978 -0.483 275 HB2 LEU 35 2HB LEU 35 -0.038 5.475 0.130 276 HB3 LEU 35 1HB LEU 35 0.034 6.629 -1.186 277 HG LEU 35 HG LEU 35 0.580 3.650 -1.591 278 HD11 LEU 35 1HD1 LEU 35 -2.097 5.036 -1.872 279 HD12 LEU 35 2HD1 LEU 35 -1.651 3.887 -0.614 280 HD13 LEU 35 3HD1 LEU 35 -1.723 3.360 -2.287 281 HD21 LEU 35 1HD2 LEU 35 1.376 5.109 -3.399 282 HD22 LEU 35 2HD2 LEU 35 -0.229 5.823 -3.546 283 HD23 LEU 35 3HD2 LEU 35 0.020 4.118 -3.930 284 H ALA 36 H ALA 36 1.967 8.500 -0.711 285 HA ALA 36 HA ALA 36 2.965 9.029 -3.271 286 HB1 ALA 36 1HB ALA 36 3.459 11.307 -2.429 287 HB2 ALA 36 2HB ALA 36 3.224 10.740 -0.772 288 HB3 ALA 36 3HB ALA 36 1.873 10.752 -1.901 289 H THR 37 H THR 37 4.633 8.753 -0.156 290 HA THR 37 HA THR 37 7.292 9.178 -0.907 291 HB THR 37 HB THR 37 6.225 7.315 1.256 292 HG1 THR 37 HG1 THR 37 5.459 9.340 1.648 293 HG21 THR 37 1HG2 THR 37 8.649 6.917 0.830 294 HG22 THR 37 2HG2 THR 37 8.386 7.665 2.406 295 HG23 THR 37 3HG2 THR 37 8.964 8.642 1.056 296 H ALA 38 H ALA 38 5.376 6.174 -0.783 297 HA ALA 38 HA ALA 38 7.532 4.444 -1.507 298 HB1 ALA 38 1HB ALA 38 5.853 2.664 -1.531 299 HB2 ALA 38 2HB ALA 38 4.559 3.859 -1.428 300 HB3 ALA 38 3HB ALA 38 5.689 3.677 -0.096 301 H LEU 39 H LEU 39 5.213 6.276 -3.388 302 HA LEU 39 HA LEU 39 5.666 4.893 -5.888 303 HB2 LEU 39 2HB LEU 39 4.730 7.759 -5.446 304 HB3 LEU 39 1HB LEU 39 4.649 6.897 -6.967 305 HG LEU 39 HG LEU 39 3.037 6.070 -4.526 306 HD11 LEU 39 1HD1 LEU 39 2.131 7.867 -6.771 307 HD12 LEU 39 2HD1 LEU 39 2.414 8.342 -5.095 308 HD13 LEU 39 3HD1 LEU 39 1.112 7.218 -5.480 309 HD21 LEU 39 1HD2 LEU 39 2.831 5.283 -7.437 310 HD22 LEU 39 2HD2 LEU 39 1.570 4.964 -6.245 311 HD23 LEU 39 3HD2 LEU 39 3.152 4.231 -6.054 312 H GLU 40 H GLU 40 7.225 7.536 -4.152 313 HA GLU 40 HA GLU 40 9.142 8.148 -6.251 314 HB2 GLU 40 2HB GLU 40 9.217 8.907 -3.284 315 HB3 GLU 40 1HB GLU 40 10.220 9.592 -4.555 316 HG2 GLU 40 2HG GLU 40 7.216 9.859 -4.346 317 HG3 GLU 40 1HG GLU 40 8.392 11.088 -3.894 318 H LYS 41 H LYS 41 8.899 6.000 -3.506 319 HA LYS 41 HA LYS 41 11.682 5.272 -3.368 320 HB2 LYS 41 2HB LYS 41 9.173 4.029 -2.171 321 HB3 LYS 41 1HB LYS 41 10.775 3.348 -1.933 322 HG2 LYS 41 2HG LYS 41 9.805 6.061 -1.004 323 HG3 LYS 41 1HG LYS 41 10.123 4.633 -0.007 324 HD2 LYS 41 2HD LYS 41 12.577 4.844 -1.069 325 HD3 LYS 41 1HD LYS 41 12.090 6.514 -1.330 326 HE2 LYS 41 2HE LYS 41 13.394 6.195 0.755 327 HE3 LYS 41 1HE LYS 41 11.792 6.846 1.097 328 HZ1 LYS 41 1HZ LYS 41 11.064 4.677 1.765 329 HZ2 LYS 41 2HZ LYS 41 12.493 5.029 2.589 330 HZ3 LYS 41 3HZ LYS 41 12.515 3.966 1.276 331 H ASP 42 H ASP 42 12.657 3.618 -4.374 332 HA ASP 42 HA ASP 42 11.606 2.747 -6.853 333 HB2 ASP 42 2HB ASP 42 14.021 3.144 -6.530 334 HB3 ASP 42 1HB ASP 42 14.109 1.836 -5.361 335 H ILE 43 H ILE 43 9.795 1.582 -6.601 336 HA ILE 43 HA ILE 43 9.740 -0.904 -5.015 337 HB ILE 43 HB ILE 43 7.228 -0.882 -5.564 338 HG12 ILE 43 2HG1 ILE 43 7.900 1.889 -6.661 339 HG13 ILE 43 1HG1 ILE 43 7.096 0.573 -7.496 340 HG21 ILE 43 1HG2 ILE 43 6.665 0.711 -3.795 341 HG22 ILE 43 2HG2 ILE 43 8.253 1.469 -3.939 342 HG23 ILE 43 3HG2 ILE 43 8.118 -0.197 -3.375 343 HD11 ILE 43 1HD1 ILE 43 5.939 2.207 -5.237 344 HD12 ILE 43 2HD1 ILE 43 5.124 0.890 -6.080 345 HD13 ILE 43 3HD1 ILE 43 5.556 2.354 -6.950 346 H SER 44 H SER 44 9.219 -2.818 -5.925 347 HA SER 44 HA SER 44 10.092 -3.351 -8.625 348 HB2 SER 44 2HB SER 44 8.865 -5.326 -6.619 349 HB3 SER 44 1HB SER 44 9.962 -5.691 -7.951 350 HG SER 44 HG SER 44 10.509 -4.425 -5.499 351 H GLN 45 H GLN 45 8.757 -4.368 -10.285 352 HA GLN 45 HA GLN 45 6.574 -3.111 -11.090 353 HB2 GLN 45 2HB GLN 45 7.745 -4.547 -12.590 354 HB3 GLN 45 1HB GLN 45 7.385 -5.979 -11.648 355 HG2 GLN 45 2HG GLN 45 6.096 -6.066 -13.663 356 HG3 GLN 45 1HG GLN 45 4.986 -5.765 -12.335 357 HE21 GLN 45 1HE2 GLN 45 4.644 -5.321 -15.172 358 HE22 GLN 45 2HE2 GLN 45 4.252 -3.650 -15.360 359 H GLU 46 H GLU 46 6.374 -5.957 -8.951 360 HA GLU 46 HA GLU 46 3.535 -6.277 -9.125 361 HB2 GLU 46 2HB GLU 46 5.575 -7.403 -7.166 362 HB3 GLU 46 1HB GLU 46 3.865 -7.811 -7.125 363 HG2 GLU 46 2HG GLU 46 4.951 -9.598 -8.248 364 HG3 GLU 46 1HG GLU 46 4.082 -8.683 -9.473 365 H GLU 47 H GLU 47 5.676 -4.591 -6.908 366 HA GLU 47 HA GLU 47 3.700 -3.930 -4.920 367 HB2 GLU 47 2HB GLU 47 6.441 -2.675 -5.456 368 HB3 GLU 47 1HB GLU 47 5.469 -2.415 -4.017 369 HG2 GLU 47 2HG GLU 47 5.794 -4.744 -3.335 370 HG3 GLU 47 1HG GLU 47 6.686 -5.068 -4.828 371 H ARG 48 H ARG 48 5.086 -2.351 -7.785 372 HA ARG 48 HA ARG 48 3.787 0.151 -7.507 373 HB2 ARG 48 2HB ARG 48 5.713 -0.163 -9.042 374 HB3 ARG 48 1HB ARG 48 4.715 -1.180 -10.074 375 HG2 ARG 48 2HG ARG 48 3.271 0.700 -10.618 376 HG3 ARG 48 1HG ARG 48 4.128 1.736 -9.477 377 HD2 ARG 48 2HD ARG 48 4.757 2.175 -11.837 378 HD3 ARG 48 1HD ARG 48 6.132 1.671 -10.858 379 HE ARG 48 HE ARG 48 5.030 -0.589 -12.135 380 HH11 ARG 48 1HH1 ARG 48 6.897 2.308 -12.962 381 HH12 ARG 48 2HH1 ARG 48 7.643 1.568 -14.346 382 HH21 ARG 48 1HH2 ARG 48 6.034 -1.517 -13.969 383 HH22 ARG 48 2HH2 ARG 48 7.156 -0.585 -14.909 384 H ASN 49 H ASN 49 2.854 -2.903 -9.100 385 HA ASN 49 HA ASN 49 0.352 -2.177 -10.124 386 HB2 ASN 49 2HB ASN 49 1.355 -4.822 -8.995 387 HB3 ASN 49 1HB ASN 49 -0.301 -4.655 -9.561 388 HD21 ASN 49 1HD2 ASN 49 -0.065 -6.165 -11.145 389 HD22 ASN 49 2HD2 ASN 49 0.894 -5.926 -12.559 390 H ALA 50 H ALA 50 1.200 -3.423 -6.881 391 HA ALA 50 HA ALA 50 -1.374 -3.634 -5.803 392 HB1 ALA 50 1HB ALA 50 -0.259 -3.805 -3.622 393 HB2 ALA 50 2HB ALA 50 1.232 -3.160 -4.314 394 HB3 ALA 50 3HB ALA 50 0.619 -4.727 -4.845 395 H LEU 51 H LEU 51 0.948 -0.901 -5.546 396 HA LEU 51 HA LEU 51 -0.838 0.680 -3.911 397 HB2 LEU 51 2HB LEU 51 1.730 1.546 -5.296 398 HB3 LEU 51 1HB LEU 51 0.883 2.451 -4.060 399 HG LEU 51 HG LEU 51 2.412 -0.158 -3.670 400 HD11 LEU 51 1HD1 LEU 51 3.862 1.791 -3.910 401 HD12 LEU 51 2HD1 LEU 51 3.911 1.198 -2.257 402 HD13 LEU 51 3HD1 LEU 51 2.977 2.640 -2.649 403 HD21 LEU 51 1HD2 LEU 51 0.618 -0.337 -2.098 404 HD22 LEU 51 2HD2 LEU 51 0.748 1.362 -1.632 405 HD23 LEU 51 3HD2 LEU 51 2.015 0.221 -1.190 406 H ASN 52 H ASN 52 -0.170 0.497 -7.386 407 HA ASN 52 HA ASN 52 -1.680 2.808 -8.116 408 HB2 ASN 52 2HB ASN 52 -0.920 0.339 -9.701 409 HB3 ASN 52 1HB ASN 52 -1.955 1.589 -10.390 410 HD21 ASN 52 1HD2 ASN 52 -0.657 2.481 -11.882 411 HD22 ASN 52 2HD2 ASN 52 0.888 3.177 -11.576 412 H ILE 53 H ILE 53 -2.536 -0.536 -7.481 413 HA ILE 53 HA ILE 53 -5.273 -0.471 -8.251 414 HB ILE 53 HB ILE 53 -3.764 -2.281 -6.319 415 HG12 ILE 53 2HG1 ILE 53 -4.873 -2.835 -9.117 416 HG13 ILE 53 1HG1 ILE 53 -3.192 -2.506 -8.743 417 HG21 ILE 53 1HG2 ILE 53 -5.748 -3.793 -6.301 418 HG22 ILE 53 2HG2 ILE 53 -6.675 -2.560 -7.157 419 HG23 ILE 53 3HG2 ILE 53 -6.074 -2.237 -5.532 420 HD11 ILE 53 1HD1 ILE 53 -4.762 -4.904 -7.818 421 HD12 ILE 53 2HD1 ILE 53 -3.082 -4.548 -7.412 422 HD13 ILE 53 3HD1 ILE 53 -3.534 -4.855 -9.085 423 H ALA 54 H ALA 54 -3.525 0.097 -5.229 424 HA ALA 54 HA ALA 54 -5.625 0.546 -3.448 425 HB1 ALA 54 1HB ALA 54 -2.872 1.836 -3.418 426 HB2 ALA 54 2HB ALA 54 -3.281 0.264 -2.734 427 HB3 ALA 54 3HB ALA 54 -3.987 1.725 -2.045 428 H GLU 55 H GLU 55 -3.796 2.982 -5.405 429 HA GLU 55 HA GLU 55 -5.219 5.225 -4.315 430 HB2 GLU 55 2HB GLU 55 -2.924 5.485 -5.094 431 HB3 GLU 55 1HB GLU 55 -3.391 5.048 -6.732 432 HG2 GLU 55 2HG GLU 55 -4.808 7.089 -6.867 433 HG3 GLU 55 1HG GLU 55 -4.275 7.556 -5.252 434 H LYS 56 H LYS 56 -5.442 3.458 -7.413 435 HA LYS 56 HA LYS 56 -7.320 5.145 -8.684 436 HB2 LYS 56 2HB LYS 56 -6.717 2.213 -9.098 437 HB3 LYS 56 1HB LYS 56 -7.920 3.054 -10.057 438 HG2 LYS 56 2HG LYS 56 -6.187 4.556 -10.947 439 HG3 LYS 56 1HG LYS 56 -4.970 3.761 -9.944 440 HD2 LYS 56 2HD LYS 56 -4.889 2.940 -12.280 441 HD3 LYS 56 1HD LYS 56 -5.298 1.646 -11.154 442 HE2 LYS 56 2HE LYS 56 -6.650 1.547 -13.226 443 HE3 LYS 56 1HE LYS 56 -7.660 1.796 -11.802 444 HZ1 LYS 56 1HZ LYS 56 -7.859 4.109 -12.348 445 HZ2 LYS 56 2HZ LYS 56 -8.270 3.209 -13.719 446 HZ3 LYS 56 3HZ LYS 56 -6.759 3.965 -13.623 447 H ALA 57 H ALA 57 -7.628 2.653 -6.280 448 HA ALA 57 HA ALA 57 -10.515 2.433 -6.448 449 HB1 ALA 57 1HB ALA 57 -8.507 1.200 -4.545 450 HB2 ALA 57 2HB ALA 57 -9.256 0.427 -5.941 451 HB3 ALA 57 3HB ALA 57 -10.240 0.868 -4.543 452 H LEU 58 H LEU 58 -8.111 4.139 -4.408 453 HA LEU 58 HA LEU 58 -9.955 5.052 -2.410 454 HB2 LEU 58 2HB LEU 58 -7.537 6.635 -3.390 455 HB3 LEU 58 1HB LEU 58 -8.332 6.812 -1.839 456 HG LEU 58 HG LEU 58 -6.419 4.579 -2.729 457 HD11 LEU 58 1HD1 LEU 58 -5.999 6.512 -0.425 458 HD12 LEU 58 2HD1 LEU 58 -5.196 6.565 -2.002 459 HD13 LEU 58 3HD1 LEU 58 -4.925 5.208 -0.926 460 HD21 LEU 58 1HD2 LEU 58 -7.963 4.521 -0.101 461 HD22 LEU 58 2HD2 LEU 58 -6.533 3.561 -0.441 462 HD23 LEU 58 3HD2 LEU 58 -7.975 3.313 -1.397 463 H ASP 59 H ASP 59 -9.056 6.231 -5.602 464 HA ASP 59 HA ASP 59 -10.514 8.679 -5.551 465 HB2 ASP 59 2HB ASP 59 -8.681 8.216 -7.193 466 HB3 ASP 59 1HB ASP 59 -9.713 7.033 -7.985 467 H ASN 60 H ASN 60 -11.297 5.387 -6.663 468 HA ASN 60 HA ASN 60 -14.011 6.109 -7.431 469 HB2 ASN 60 2HB ASN 60 -12.674 3.363 -7.295 470 HB3 ASN 60 1HB ASN 60 -14.292 3.663 -7.929 471 HD21 ASN 60 1HD2 ASN 60 -12.271 2.428 -9.386 472 HD22 ASN 60 2HD2 ASN 60 -11.808 3.450 -10.697 473 H SER 61 H SER 61 -12.456 5.417 -4.524 474 HA SER 61 HA SER 61 -13.078 5.035 -2.409 475 HB2 SER 61 2HB SER 61 -14.418 7.075 -2.811 476 HB3 SER 61 1HB SER 61 -15.768 6.091 -3.371 477 HG SER 61 HG SER 61 -16.006 5.281 -1.307 478 H GLU 62 H GLU 62 -12.854 2.747 -3.582 479 HA GLU 62 HA GLU 62 -15.237 1.073 -3.324 480 HB2 GLU 62 2HB GLU 62 -12.408 0.466 -4.249 481 HB3 GLU 62 1HB GLU 62 -13.674 -0.745 -4.154 482 HG2 GLU 62 2HG GLU 62 -13.699 1.710 -5.926 483 HG3 GLU 62 1HG GLU 62 -13.417 0.055 -6.457 484 H TYR 63 H TYR 63 -14.258 2.250 -0.958 485 HA TYR 63 HA TYR 63 -14.745 1.763 1.149 486 HB2 TYR 63 2HB TYR 63 -14.873 -1.131 0.239 487 HB3 TYR 63 1HB TYR 63 -15.167 -0.643 1.905 488 HD1 TYR 63 HD1 TYR 63 -16.537 -0.632 -1.530 489 HD2 TYR 63 HD2 TYR 63 -17.221 0.605 2.499 490 HE1 TYR 63 HE1 TYR 63 -18.893 -0.176 -2.076 491 HE2 TYR 63 HE2 TYR 63 -19.569 1.065 1.951 492 HH TYR 63 HH TYR 63 -21.057 0.017 -0.925 493 H LEU 64 H LEU 64 -13.678 1.382 3.065 494 HA LEU 64 HA LEU 64 -10.770 1.436 2.645 495 HB2 LEU 64 2HB LEU 64 -12.474 2.541 4.853 496 HB3 LEU 64 1HB LEU 64 -10.971 1.861 5.393 497 HG LEU 64 HG LEU 64 -10.803 4.253 5.239 498 HD11 LEU 64 1HD1 LEU 64 -8.818 2.792 4.628 499 HD12 LEU 64 2HD1 LEU 64 -8.739 4.492 4.238 500 HD13 LEU 64 3HD1 LEU 64 -9.053 3.333 2.964 501 HD21 LEU 64 1HD2 LEU 64 -11.426 4.193 2.275 502 HD22 LEU 64 2HD2 LEU 64 -10.921 5.578 3.209 503 HD23 LEU 64 3HD2 LEU 64 -12.461 4.831 3.552 504 HA PRO 65 HA PRO 65 -11.399 -2.510 5.689 505 HB2 PRO 65 2HB PRO 65 -13.998 -3.273 4.335 506 HB3 PRO 65 1HB PRO 65 -13.441 -3.614 5.986 507 HG2 PRO 65 2HG PRO 65 -15.262 -1.722 5.529 508 HG3 PRO 65 1HG PRO 65 -14.011 -1.520 6.778 509 HD2 PRO 65 2HD PRO 65 -14.209 -0.243 4.086 510 HD3 PRO 65 1HD PRO 65 -13.521 0.396 5.593 511 H LYS 66 H LYS 66 -12.696 -2.110 2.392 512 HA LYS 66 HA LYS 66 -11.971 -4.714 1.493 513 HB2 LYS 66 2HB LYS 66 -13.884 -3.502 0.516 514 HB3 LYS 66 1HB LYS 66 -12.818 -2.246 -0.100 515 HG2 LYS 66 2HG LYS 66 -13.462 -3.759 -1.901 516 HG3 LYS 66 1HG LYS 66 -11.731 -3.901 -1.588 517 HD2 LYS 66 2HD LYS 66 -12.695 -6.111 -1.968 518 HD3 LYS 66 1HD LYS 66 -12.153 -5.987 -0.294 519 HE2 LYS 66 2HE LYS 66 -14.322 -7.114 -0.430 520 HE3 LYS 66 1HE LYS 66 -14.499 -5.571 0.408 521 HZ1 LYS 66 1HZ LYS 66 -15.241 -6.188 -2.396 522 HZ2 LYS 66 2HZ LYS 66 -15.260 -4.630 -1.747 523 HZ3 LYS 66 3HZ LYS 66 -16.283 -5.820 -1.120 524 H ILE 67 H ILE 67 -10.527 -1.467 1.066 525 HA ILE 67 HA ILE 67 -8.551 -2.424 -0.817 526 HB ILE 67 HB ILE 67 -8.867 0.314 0.478 527 HG12 ILE 67 2HG1 ILE 67 -9.723 -0.724 -2.248 528 HG13 ILE 67 1HG1 ILE 67 -10.800 -0.435 -0.896 529 HG21 ILE 67 1HG2 ILE 67 -7.408 1.162 -1.347 530 HG22 ILE 67 2HG2 ILE 67 -7.150 -0.490 -1.905 531 HG23 ILE 67 3HG2 ILE 67 -6.546 0.008 -0.325 532 HD11 ILE 67 1HD1 ILE 67 -10.863 1.322 -2.593 533 HD12 ILE 67 2HD1 ILE 67 -9.179 1.715 -2.240 534 HD13 ILE 67 3HD1 ILE 67 -10.416 1.901 -0.999 535 H ILE 68 H ILE 68 -8.663 -1.700 2.650 536 HA ILE 68 HA ILE 68 -5.840 -1.908 3.048 537 HB ILE 68 HB ILE 68 -8.085 -2.233 5.078 538 HG12 ILE 68 2HG1 ILE 68 -6.062 0.036 4.659 539 HG13 ILE 68 1HG1 ILE 68 -7.750 0.096 4.177 540 HG21 ILE 68 1HG2 ILE 68 -6.300 -2.131 6.830 541 HG22 ILE 68 2HG2 ILE 68 -5.081 -2.238 5.558 542 HG23 ILE 68 3HG2 ILE 68 -6.184 -3.584 5.831 543 HD11 ILE 68 1HD1 ILE 68 -7.358 1.328 6.218 544 HD12 ILE 68 2HD1 ILE 68 -6.749 -0.123 7.005 545 HD13 ILE 68 3HD1 ILE 68 -8.437 -0.034 6.499 546 H LEU 69 H LEU 69 -8.583 -4.188 3.129 547 HA LEU 69 HA LEU 69 -7.146 -6.534 3.846 548 HB2 LEU 69 2HB LEU 69 -9.778 -5.961 3.617 549 HB3 LEU 69 1HB LEU 69 -9.573 -6.713 2.048 550 HG LEU 69 HG LEU 69 -9.387 -7.953 4.829 551 HD11 LEU 69 1HD1 LEU 69 -10.900 -9.071 2.448 552 HD12 LEU 69 2HD1 LEU 69 -11.603 -8.083 3.736 553 HD13 LEU 69 3HD1 LEU 69 -10.913 -9.652 4.112 554 HD21 LEU 69 1HD2 LEU 69 -8.205 -9.342 2.415 555 HD22 LEU 69 2HD2 LEU 69 -8.489 -10.072 3.995 556 HD23 LEU 69 3HD2 LEU 69 -7.340 -8.749 3.835 557 H ASN 70 H ASN 70 -7.865 -4.951 0.778 558 HA ASN 70 HA ASN 70 -6.965 -6.987 -0.996 559 HB2 ASN 70 2HB ASN 70 -8.533 -5.326 -1.813 560 HB3 ASN 70 1HB ASN 70 -7.462 -3.998 -1.399 561 HD21 ASN 70 1HD2 ASN 70 -5.753 -3.508 -2.776 562 HD22 ASN 70 2HD2 ASN 70 -5.605 -4.180 -4.356 563 H LEU 71 H LEU 71 -5.366 -4.216 0.557 564 HA LEU 71 HA LEU 71 -2.888 -4.575 -0.874 565 HB2 LEU 71 2HB LEU 71 -3.682 -2.335 -0.017 566 HB3 LEU 71 1HB LEU 71 -3.455 -2.930 1.610 567 HG LEU 71 HG LEU 71 -0.962 -3.126 1.115 568 HD11 LEU 71 1HD1 LEU 71 -1.709 -1.663 -1.428 569 HD12 LEU 71 2HD1 LEU 71 -0.809 -3.175 -1.267 570 HD13 LEU 71 3HD1 LEU 71 -0.085 -1.668 -0.745 571 HD21 LEU 71 1HD2 LEU 71 -0.512 -0.724 1.432 572 HD22 LEU 71 2HD2 LEU 71 -1.856 -1.270 2.432 573 HD23 LEU 71 3HD2 LEU 71 -2.174 -0.348 0.963 574 H ARG 72 H ARG 72 -4.323 -5.651 2.161 575 HA ARG 72 HA ARG 72 -1.949 -6.939 3.171 576 HB2 ARG 72 2HB ARG 72 -4.885 -7.465 3.899 577 HB3 ARG 72 1HB ARG 72 -3.505 -8.216 4.688 578 HG2 ARG 72 2HG ARG 72 -2.748 -5.962 5.410 579 HG3 ARG 72 1HG ARG 72 -4.207 -5.275 4.699 580 HD2 ARG 72 2HD ARG 72 -4.009 -7.187 7.036 581 HD3 ARG 72 1HD ARG 72 -4.571 -5.517 7.055 582 HE ARG 72 HE ARG 72 -6.527 -6.304 5.740 583 HH11 ARG 72 1HH1 ARG 72 -4.760 -8.661 7.678 584 HH12 ARG 72 2HH1 ARG 72 -6.130 -9.710 7.883 585 HH21 ARG 72 1HH2 ARG 72 -8.345 -7.627 6.143 586 HH22 ARG 72 2HH2 ARG 72 -8.166 -9.120 7.009 587 H LYS 73 H LYS 73 -4.349 -7.713 0.749 588 HA LYS 73 HA LYS 73 -3.747 -10.574 0.662 589 HB2 LYS 73 2HB LYS 73 -6.047 -9.542 0.213 590 HB3 LYS 73 1HB LYS 73 -5.409 -8.868 -1.273 591 HG2 LYS 73 2HG LYS 73 -5.399 -11.848 -0.742 592 HG3 LYS 73 1HG LYS 73 -6.822 -11.035 -1.380 593 HD2 LYS 73 2HD LYS 73 -5.460 -10.273 -3.332 594 HD3 LYS 73 1HD LYS 73 -4.086 -11.186 -2.700 595 HE2 LYS 73 2HE LYS 73 -5.233 -12.460 -4.445 596 HE3 LYS 73 1HE LYS 73 -5.407 -13.274 -2.889 597 HZ1 LYS 73 1HZ LYS 73 -7.633 -12.340 -2.699 598 HZ2 LYS 73 2HZ LYS 73 -7.488 -13.236 -4.123 599 HZ3 LYS 73 3HZ LYS 73 -7.454 -11.550 -4.181 600 H ALA 74 H ALA 74 -2.783 -7.566 -0.780 601 HA ALA 74 HA ALA 74 -1.317 -8.787 -2.983 602 HB1 ALA 74 1HB ALA 74 -2.586 -6.775 -3.429 603 HB2 ALA 74 2HB ALA 74 -0.867 -6.432 -3.631 604 HB3 ALA 74 3HB ALA 74 -1.715 -5.891 -2.182 605 H LEU 75 H LEU 75 -0.555 -7.640 0.300 606 HA LEU 75 HA LEU 75 2.330 -7.811 -0.394 607 HB2 LEU 75 2HB LEU 75 1.227 -6.212 1.940 608 HB3 LEU 75 1HB LEU 75 2.896 -6.277 1.421 609 HG LEU 75 HG LEU 75 0.598 -4.841 0.060 610 HD11 LEU 75 1HD1 LEU 75 1.475 -3.603 1.899 611 HD12 LEU 75 2HD1 LEU 75 1.976 -2.821 0.411 612 HD13 LEU 75 3HD1 LEU 75 3.133 -3.794 1.325 613 HD21 LEU 75 1HD2 LEU 75 2.255 -4.010 -1.631 614 HD22 LEU 75 2HD2 LEU 75 1.845 -5.703 -1.804 615 HD23 LEU 75 3HD2 LEU 75 3.388 -5.241 -1.069 616 H THR 76 H THR 76 -0.038 -9.022 1.995 617 HA THR 76 HA THR 76 1.859 -10.129 3.764 618 HB THR 76 HB THR 76 -0.994 -11.045 3.259 619 HG1 THR 76 HG1 THR 76 0.224 -9.175 4.849 620 HG21 THR 76 1HG2 THR 76 -0.881 -12.282 5.396 621 HG22 THR 76 2HG2 THR 76 0.852 -11.963 5.487 622 HG23 THR 76 3HG2 THR 76 0.211 -12.975 4.199 623 HA PRO 77 HA PRO 77 1.769 -14.312 1.162 624 HB2 PRO 77 2HB PRO 77 1.166 -13.303 -1.609 625 HB3 PRO 77 1HB PRO 77 0.644 -14.804 -0.811 626 HG2 PRO 77 2HG PRO 77 -1.100 -12.854 -1.139 627 HG3 PRO 77 1HG PRO 77 -1.046 -13.737 0.407 628 HD2 PRO 77 2HD PRO 77 0.165 -11.040 -0.258 629 HD3 PRO 77 1HD PRO 77 -0.845 -11.511 1.116 630 H LEU 78 H LEU 78 2.760 -11.273 -0.468 631 HA LEU 78 HA LEU 78 5.187 -12.345 -1.561 632 HB2 LEU 78 2HB LEU 78 4.696 -9.389 -0.973 633 HB3 LEU 78 1HB LEU 78 5.918 -10.049 -2.041 634 HG LEU 78 HG LEU 78 2.906 -10.045 -2.528 635 HD11 LEU 78 1HD1 LEU 78 5.083 -8.527 -4.004 636 HD12 LEU 78 2HD1 LEU 78 3.876 -7.841 -2.918 637 HD13 LEU 78 3HD1 LEU 78 3.372 -8.569 -4.429 638 HD21 LEU 78 1HD2 LEU 78 5.065 -11.262 -4.284 639 HD22 LEU 78 2HD2 LEU 78 3.418 -10.929 -4.804 640 HD23 LEU 78 3HD2 LEU 78 3.700 -12.083 -3.519 641 H ALA 79 H ALA 79 4.362 -10.774 1.449 642 HA ALA 79 HA ALA 79 6.908 -10.352 2.564 643 HB1 ALA 79 1HB ALA 79 5.740 -10.302 4.736 644 HB2 ALA 79 2HB ALA 79 4.300 -10.992 3.983 645 HB3 ALA 79 3HB ALA 79 4.852 -9.383 3.519 646 H ILE 80 H ILE 80 4.622 -13.016 2.984 647 HA ILE 80 HA ILE 80 6.179 -14.697 4.614 648 HB ILE 80 HB ILE 80 3.864 -15.405 2.748 649 HG12 ILE 80 2HG1 ILE 80 3.819 -14.777 5.749 650 HG13 ILE 80 1HG1 ILE 80 3.227 -13.726 4.473 651 HG21 ILE 80 1HG2 ILE 80 5.001 -17.064 5.031 652 HG22 ILE 80 2HG2 ILE 80 5.141 -17.426 3.313 653 HG23 ILE 80 3HG2 ILE 80 3.561 -17.458 4.090 654 HD11 ILE 80 1HD1 ILE 80 1.535 -15.418 3.895 655 HD12 ILE 80 2HD1 ILE 80 1.388 -14.801 5.538 656 HD13 ILE 80 3HD1 ILE 80 2.084 -16.397 5.259 657 H ASN 81 H ASN 81 5.694 -14.650 1.090 658 HA ASN 81 HA ASN 81 7.360 -16.975 0.598 659 HB2 ASN 81 2HB ASN 81 5.317 -16.338 -0.788 660 HB3 ASN 81 1HB ASN 81 6.252 -15.002 -1.457 661 HD21 ASN 81 1HD2 ASN 81 6.023 -15.878 -3.548 662 HD22 ASN 81 2HD2 ASN 81 6.901 -17.272 -4.068 663 H ARG 82 H ARG 82 7.991 -13.671 1.175 664 HA ARG 82 HA ARG 82 9.968 -12.673 1.589 665 HB2 ARG 82 2HB ARG 82 11.137 -15.429 1.010 666 HB3 ARG 82 1HB ARG 82 12.083 -14.089 1.635 667 HG2 ARG 82 2HG ARG 82 10.802 -14.097 3.720 668 HG3 ARG 82 1HG ARG 82 9.720 -15.337 3.089 669 HD2 ARG 82 2HD ARG 82 12.688 -15.687 3.656 670 HD3 ARG 82 1HD ARG 82 11.352 -16.317 4.628 671 HE ARG 82 HE ARG 82 11.244 -17.213 1.895 672 HH11 ARG 82 1HH1 ARG 82 12.739 -17.918 5.022 673 HH12 ARG 82 2HH1 ARG 82 13.027 -19.588 4.634 674 HH21 ARG 82 1HH2 ARG 82 11.634 -19.395 1.417 675 HH22 ARG 82 2HH2 ARG 82 12.398 -20.426 2.588 676 H THR 83 H THR 83 9.000 -11.905 -0.766 677 HA THR 83 HA THR 83 11.491 -11.427 -2.295 678 HB THR 83 HB THR 83 10.251 -13.240 -3.498 679 HG1 THR 83 HG1 THR 83 11.338 -11.090 -4.528 680 HG21 THR 83 1HG2 THR 83 8.125 -11.119 -3.940 681 HG22 THR 83 2HG2 THR 83 7.943 -12.608 -3.014 682 HG23 THR 83 3HG2 THR 83 8.194 -12.682 -4.755 683 H LEU 84 H LEU 84 8.893 -10.074 -0.703 684 HA LEU 84 HA LEU 84 8.431 -7.683 -2.174 685 HB2 LEU 84 2HB LEU 84 7.014 -8.576 -0.266 686 HB3 LEU 84 1HB LEU 84 8.301 -8.153 0.842 687 HG LEU 84 HG LEU 84 7.884 -5.677 -0.060 688 HD11 LEU 84 1HD1 LEU 84 5.484 -5.250 -0.560 689 HD12 LEU 84 2HD1 LEU 84 5.252 -6.988 -0.733 690 HD13 LEU 84 3HD1 LEU 84 6.324 -6.130 -1.830 691 HD21 LEU 84 1HD2 LEU 84 5.984 -7.021 1.885 692 HD22 LEU 84 2HD2 LEU 84 6.254 -5.279 1.747 693 HD23 LEU 84 3HD2 LEU 84 7.565 -6.337 2.266 694 H ASN 85 H ASN 85 9.295 -5.522 -1.654 695 HA ASN 85 HA ASN 85 12.194 -5.576 -1.519 696 HB2 ASN 85 2HB ASN 85 11.048 -4.023 -3.103 697 HB3 ASN 85 1HB ASN 85 10.387 -3.103 -1.752 698 HD21 ASN 85 1HD2 ASN 85 11.382 -1.214 -2.426 699 HD22 ASN 85 2HD2 ASN 85 13.089 -0.973 -2.348 700 H HIS 86 H HIS 86 9.638 -4.813 0.741 701 HA HIS 86 HA HIS 86 9.569 -4.569 2.995 702 HB2 HIS 86 2HB HIS 86 11.367 -6.258 3.119 703 HB3 HIS 86 1HB HIS 86 12.581 -5.009 2.921 704 HD1 HIS 86 HD1 HIS 86 13.400 -3.881 5.013 705 HD2 HIS 86 HD2 HIS 86 10.040 -6.223 5.691 706 HE1 HIS 86 HE1 HIS 86 13.151 -3.992 7.508 707 HE2 HIS 86 HE2 HIS 86 11.007 -5.244 7.876 708 H ASP 87 H ASP 87 11.083 -2.407 0.983 709 HA ASP 87 HA ASP 87 11.913 -0.447 2.894 710 HB2 ASP 87 2HB ASP 87 12.989 -0.515 0.696 711 HB3 ASP 87 1HB ASP 87 11.464 -0.196 -0.124 712 H LEU 88 H LEU 88 8.779 -1.409 2.072 713 HA LEU 88 HA LEU 88 7.753 1.085 3.297 714 HB2 LEU 88 2HB LEU 88 5.514 0.603 2.212 715 HB3 LEU 88 1HB LEU 88 6.762 1.237 1.172 716 HG LEU 88 HG LEU 88 6.340 -1.757 1.172 717 HD11 LEU 88 1HD1 LEU 88 4.049 -0.838 1.036 718 HD12 LEU 88 2HD1 LEU 88 4.540 -1.610 -0.466 719 HD13 LEU 88 3HD1 LEU 88 4.524 0.154 -0.345 720 HD21 LEU 88 1HD2 LEU 88 8.173 -0.660 -0.169 721 HD22 LEU 88 2HD2 LEU 88 6.934 0.163 -1.110 722 HD23 LEU 88 3HD2 LEU 88 7.036 -1.597 -1.127 723 H SER 89 H SER 89 8.897 -1.080 4.555 724 HA SER 89 HA SER 89 7.211 -2.973 5.710 725 HB2 SER 89 2HB SER 89 8.958 -2.925 7.588 726 HB3 SER 89 1HB SER 89 9.571 -3.206 5.961 727 HG SER 89 HG SER 89 10.806 -1.563 6.317 728 H GLU 90 H GLU 90 7.830 0.375 6.550 729 HA GLU 90 HA GLU 90 6.461 0.398 9.059 730 HB2 GLU 90 2HB GLU 90 8.295 2.047 8.187 731 HB3 GLU 90 1HB GLU 90 6.977 2.862 7.352 732 HG2 GLU 90 2HG GLU 90 7.314 4.049 9.386 733 HG3 GLU 90 1HG GLU 90 5.842 3.109 9.609 734 H LEU 91 H LEU 91 5.494 0.716 5.726 735 HA LEU 91 HA LEU 91 2.963 2.078 6.211 736 HB2 LEU 91 2HB LEU 91 4.499 2.151 4.099 737 HB3 LEU 91 1HB LEU 91 3.815 0.599 3.675 738 HG LEU 91 HG LEU 91 2.181 3.164 3.970 739 HD11 LEU 91 1HD1 LEU 91 3.274 1.901 1.431 740 HD12 LEU 91 2HD1 LEU 91 3.774 3.436 2.146 741 HD13 LEU 91 3HD1 LEU 91 2.147 3.257 1.508 742 HD21 LEU 91 1HD2 LEU 91 0.804 1.156 4.239 743 HD22 LEU 91 2HD2 LEU 91 1.412 0.506 2.715 744 HD23 LEU 91 3HD2 LEU 91 0.428 1.971 2.723 745 H TYR 92 H TYR 92 4.165 -1.172 5.540 746 HA TYR 92 HA TYR 92 1.684 -2.531 5.473 747 HB2 TYR 92 2HB TYR 92 3.665 -3.459 4.392 748 HB3 TYR 92 1HB TYR 92 4.497 -3.533 5.936 749 HD1 TYR 92 HD1 TYR 92 1.039 -4.701 4.949 750 HD2 TYR 92 HD2 TYR 92 4.916 -5.797 6.386 751 HE1 TYR 92 HE1 TYR 92 0.279 -7.014 5.237 752 HE2 TYR 92 HE2 TYR 92 4.150 -8.104 6.687 753 HH TYR 92 HH TYR 92 1.947 -9.278 7.054 754 H LYS 93 H LYS 93 4.018 -1.718 7.984 755 HA LYS 93 HA LYS 93 2.831 -3.140 10.155 756 HB2 LYS 93 2HB LYS 93 5.218 -2.307 10.154 757 HB3 LYS 93 1HB LYS 93 4.617 -0.655 10.280 758 HG2 LYS 93 2HG LYS 93 3.536 -1.242 12.453 759 HG3 LYS 93 1HG LYS 93 4.211 -2.867 12.327 760 HD2 LYS 93 2HD LYS 93 6.519 -1.860 12.366 761 HD3 LYS 93 1HD LYS 93 5.783 -0.269 12.588 762 HE2 LYS 93 2HE LYS 93 4.727 -1.113 14.700 763 HE3 LYS 93 1HE LYS 93 5.606 -2.628 14.490 764 HZ1 LYS 93 1HZ LYS 93 6.800 0.066 14.907 765 HZ2 LYS 93 2HZ LYS 93 7.688 -1.331 14.574 766 HZ3 LYS 93 3HZ LYS 93 6.795 -1.220 16.000 767 H PHE 94 H PHE 94 2.497 0.114 8.788 768 HA PHE 94 HA PHE 94 1.059 1.396 10.813 769 HB2 PHE 94 2HB PHE 94 2.081 2.646 8.983 770 HB3 PHE 94 1HB PHE 94 1.053 1.861 7.799 771 HD1 PHE 94 HD1 PHE 94 1.035 4.247 10.662 772 HD2 PHE 94 HD2 PHE 94 -1.101 2.810 7.247 773 HE1 PHE 94 HE1 PHE 94 -0.588 6.073 10.890 774 HE2 PHE 94 HE2 PHE 94 -2.729 4.622 7.500 775 HZ PHE 94 HZ PHE 94 -2.471 6.265 9.317 776 H ILE 95 H ILE 95 -0.149 -0.332 7.933 777 HA ILE 95 HA ILE 95 -2.919 0.075 8.565 778 HB ILE 95 HB ILE 95 -3.506 -1.193 6.649 779 HG12 ILE 95 2HG1 ILE 95 -0.863 -2.599 6.957 780 HG13 ILE 95 1HG1 ILE 95 -2.443 -3.248 6.586 781 HG21 ILE 95 1HG2 ILE 95 -2.247 -0.104 4.862 782 HG22 ILE 95 2HG2 ILE 95 -0.933 0.258 5.983 783 HG23 ILE 95 3HG2 ILE 95 -2.515 0.998 6.211 784 HD11 ILE 95 1HD1 ILE 95 -2.266 -2.518 4.295 785 HD12 ILE 95 2HD1 ILE 95 -0.880 -3.513 4.734 786 HD13 ILE 95 3HD1 ILE 95 -0.705 -1.765 4.615 787 H THR 96 H THR 96 -0.778 -1.875 10.163 788 HA THR 96 HA THR 96 -2.947 -3.650 11.151 789 HB THR 96 HB THR 96 -0.985 -5.165 11.929 790 HG1 THR 96 HG1 THR 96 0.370 -3.592 9.975 791 HG21 THR 96 1HG2 THR 96 -2.448 -5.837 10.068 792 HG22 THR 96 2HG2 THR 96 -0.776 -6.318 9.772 793 HG23 THR 96 3HG2 THR 96 -1.442 -4.915 8.949 794 H SER 97 H SER 97 -0.944 -1.005 12.007 795 HA SER 97 HA SER 97 -0.611 -1.895 14.820 796 HB2 SER 97 2HB SER 97 1.439 -1.122 13.590 797 HB3 SER 97 1HB SER 97 0.711 0.475 13.417 798 HG SER 97 HG SER 97 0.906 -0.655 15.988 799 H SER 98 H SER 98 -1.157 1.286 13.293 800 HA SER 98 HA SER 98 -2.666 2.187 15.633 801 HB2 SER 98 2HB SER 98 -2.426 4.441 14.506 802 HB3 SER 98 1HB SER 98 -0.884 3.651 14.841 803 HG SER 98 HG SER 98 -2.003 3.098 12.351 804 H LYS 99 H LYS 99 -4.838 2.460 15.622 805 HA LYS 99 HA LYS 99 -7.004 2.520 15.073 806 HB2 LYS 99 2HB LYS 99 -6.036 3.524 12.373 807 HB3 LYS 99 1HB LYS 99 -7.728 3.496 12.858 808 HG2 LYS 99 2HG LYS 99 -5.538 5.087 14.249 809 HG3 LYS 99 1HG LYS 99 -6.696 5.745 13.090 810 HD2 LYS 99 2HD LYS 99 -8.562 5.156 14.623 811 HD3 LYS 99 1HD LYS 99 -7.401 4.501 15.780 812 HE2 LYS 99 2HE LYS 99 -7.482 7.404 14.875 813 HE3 LYS 99 1HE LYS 99 -8.192 6.796 16.370 814 HZ1 LYS 99 1HZ LYS 99 -6.009 6.162 17.137 815 HZ2 LYS 99 2HZ LYS 99 -5.997 7.794 16.694 816 HZ3 LYS 99 3HZ LYS 99 -5.310 6.637 15.675 817 H ALA 100 H ALA 100 -5.674 1.392 11.936 818 HA ALA 100 HA ALA 100 -7.559 -0.658 11.523 819 HB1 ALA 100 1HB ALA 100 -6.038 -1.395 9.726 820 HB2 ALA 100 2HB ALA 100 -4.789 -0.315 10.353 821 HB3 ALA 100 3HB ALA 100 -6.290 0.353 9.709 822 H SER 101 H SER 101 -7.704 -1.854 13.434 823 HA SER 101 HA SER 101 -6.098 -4.196 13.669 824 HB2 SER 101 2HB SER 101 -4.572 -2.525 14.782 825 HB3 SER 101 1HB SER 101 -5.841 -2.161 15.948 826 HG SER 101 HG SER 101 -5.712 -4.316 16.669 827 H ASN 102 H ASN 102 -8.983 -2.944 13.682 828 HA ASN 102 HA ASN 102 -10.071 -4.513 15.956 829 HB2 ASN 102 2HB ASN 102 -10.523 -2.048 16.094 830 HB3 ASN 102 1HB ASN 102 -11.401 -2.152 14.575 831 HD21 ASN 102 1HD2 ASN 102 -11.443 -2.996 17.969 832 HD22 ASN 102 2HD2 ASN 102 -13.120 -3.411 18.048 833 H LYS 103 H LYS 103 -11.963 -3.307 13.164 834 HA LYS 103 HA LYS 103 -12.148 -6.016 12.012 835 HB2 LYS 103 2HB LYS 103 -14.609 -4.418 12.885 836 HB3 LYS 103 1HB LYS 103 -14.649 -5.902 11.943 837 HG2 LYS 103 2HG LYS 103 -13.793 -7.183 13.835 838 HG3 LYS 103 1HG LYS 103 -13.589 -5.705 14.779 839 HD2 LYS 103 2HD LYS 103 -16.055 -5.338 14.701 840 HD3 LYS 103 1HD LYS 103 -16.237 -6.840 13.790 841 HE2 LYS 103 2HE LYS 103 -16.776 -7.208 16.147 842 HE3 LYS 103 1HE LYS 103 -15.322 -8.107 15.713 843 HZ1 LYS 103 1HZ LYS 103 -15.035 -7.041 17.835 844 HZ2 LYS 103 2HZ LYS 103 -15.427 -5.530 17.189 845 HZ3 LYS 103 3HZ LYS 103 -14.004 -6.305 16.711 846 H ASN 104 H ASN 104 -13.592 -2.744 11.825 847 HA ASN 104 HA ASN 104 -14.245 -2.759 9.105 848 HB2 ASN 104 2HB ASN 104 -15.268 -1.189 10.686 849 HB3 ASN 104 1HB ASN 104 -13.720 -0.408 10.961 850 HD21 ASN 104 1HD2 ASN 104 -16.288 -0.912 8.626 851 HD22 ASN 104 2HD2 ASN 104 -15.922 0.466 7.654 852 H LEU 105 H LEU 105 -11.678 -0.509 10.348 853 HA LEU 105 HA LEU 105 -10.275 -0.577 7.829 854 HB2 LEU 105 2HB LEU 105 -8.866 0.209 10.419 855 HB3 LEU 105 1HB LEU 105 -8.547 0.783 8.806 856 HG LEU 105 HG LEU 105 -9.332 2.613 10.094 857 HD11 LEU 105 1HD1 LEU 105 -11.768 1.948 8.443 858 HD12 LEU 105 2HD1 LEU 105 -10.246 2.580 7.791 859 HD13 LEU 105 3HD1 LEU 105 -11.168 3.525 8.947 860 HD21 LEU 105 1HD2 LEU 105 -11.745 1.003 10.965 861 HD22 LEU 105 2HD2 LEU 105 -11.427 2.695 11.355 862 HD23 LEU 105 3HD2 LEU 105 -10.347 1.440 11.951 863 H GLY 106 H GLY 106 -9.542 -2.445 7.161 864 HA2 GLY 106 2HA GLY 106 -7.403 -3.876 7.735 865 HA3 GLY 106 1HA GLY 106 -8.480 -4.468 8.998 866 H GLY 107 H GLY 107 -10.884 -4.534 7.831 867 HA2 GLY 107 2HA GLY 107 -12.167 -5.591 6.160 868 HA3 GLY 107 1HA GLY 107 -10.703 -6.260 5.448 869 H GLY 108 H GLY 108 -12.503 -6.298 8.498 870 HA2 GLY 108 2HA GLY 108 -13.069 -7.905 10.001 871 HA3 GLY 108 1HA GLY 108 -13.167 -8.990 8.620 872 H LEU 109 H LEU 109 -12.040 -10.778 9.022 873 HA LEU 109 HA LEU 109 -9.454 -10.675 10.437 874 HB2 LEU 109 2HB LEU 109 -11.237 -13.011 9.624 875 HB3 LEU 109 1HB LEU 109 -9.663 -13.207 10.378 876 HG LEU 109 HG LEU 109 -12.034 -11.799 11.672 877 HD11 LEU 109 1HD1 LEU 109 -12.471 -14.193 11.438 878 HD12 LEU 109 2HD1 LEU 109 -12.235 -13.755 13.126 879 HD13 LEU 109 3HD1 LEU 109 -10.944 -14.573 12.239 880 HD21 LEU 109 1HD2 LEU 109 -9.328 -12.538 12.839 881 HD22 LEU 109 2HD2 LEU 109 -10.690 -11.867 13.739 882 HD23 LEU 109 3HD2 LEU 109 -9.912 -10.909 12.484 883 H ILE 110 H ILE 110 -10.593 -12.702 7.711 884 HA ILE 110 HA ILE 110 -8.768 -11.703 5.764 885 HB ILE 110 HB ILE 110 -7.131 -12.866 7.259 886 HG12 ILE 110 2HG1 ILE 110 -7.468 -14.172 4.521 887 HG13 ILE 110 1HG1 ILE 110 -6.591 -12.692 4.871 888 HG21 ILE 110 1HG2 ILE 110 -8.573 -14.631 8.163 889 HG22 ILE 110 2HG2 ILE 110 -7.081 -15.309 7.512 890 HG23 ILE 110 3HG2 ILE 110 -8.586 -15.443 6.597 891 HD11 ILE 110 1HD1 ILE 110 -5.075 -14.520 4.468 892 HD12 ILE 110 2HD1 ILE 110 -5.805 -15.475 5.753 893 HD13 ILE 110 3HD1 ILE 110 -4.921 -13.993 6.140 894 H MET 111 H MET 111 -9.389 -12.469 3.719 895 HA MET 111 HA MET 111 -11.754 -14.263 3.659 896 HB2 MET 111 2HB MET 111 -12.108 -11.902 2.910 897 HB3 MET 111 1HB MET 111 -10.929 -12.137 1.630 898 HG2 MET 111 2HG MET 111 -13.490 -13.751 1.850 899 HG3 MET 111 1HG MET 111 -13.336 -12.274 0.900 900 HE1 MET 111 1HE MET 111 -14.199 -13.619 -1.281 901 HE2 MET 111 2HE MET 111 -14.320 -15.116 -0.355 902 HE3 MET 111 3HE MET 111 -13.434 -15.090 -1.880 903 H SER 112 H SER 112 -9.011 -13.353 1.489 904 HA SER 112 HA SER 112 -9.455 -15.510 -0.278 905 HB2 SER 112 2HB SER 112 -7.061 -13.654 -0.022 906 HB3 SER 112 1HB SER 112 -7.364 -14.737 -1.385 907 HG SER 112 HG SER 112 -9.580 -13.446 -1.138 908 H TRP 113 H TRP 113 -6.383 -14.980 1.559 909 HA TRP 113 HA TRP 113 -5.695 -17.773 1.460 910 HB2 TRP 113 2HB TRP 113 -4.459 -15.360 2.835 911 HB3 TRP 113 1HB TRP 113 -3.897 -16.980 3.227 912 HD1 TRP 113 HD1 TRP 113 -4.439 -15.000 -0.111 913 HE1 TRP 113 HE1 TRP 113 -2.426 -15.469 -1.631 914 HE3 TRP 113 HE3 TRP 113 -1.801 -18.167 2.927 915 HZ2 TRP 113 HZ2 TRP 113 -0.042 -16.934 -1.563 916 HZ3 TRP 113 HZ3 TRP 113 0.355 -19.045 2.125 917 HH2 TRP 113 HH2 TRP 113 1.214 -18.440 -0.083 918 H GLY 114 H GLY 114 -5.311 -19.098 3.393 919 HA2 GLY 114 2HA GLY 114 -6.743 -18.591 5.852 920 HA3 GLY 114 1HA GLY 114 -7.551 -19.763 4.807 921 H ARG 115 H ARG 115 -5.482 -21.134 3.669 922 HA ARG 115 HA ARG 115 -4.130 -22.462 5.937 923 HB2 ARG 115 2HB ARG 115 -4.470 -23.355 3.026 924 HB3 ARG 115 1HB ARG 115 -3.532 -24.229 4.225 925 HG2 ARG 115 2HG ARG 115 -5.623 -25.352 4.017 926 HG3 ARG 115 1HG ARG 115 -5.647 -24.523 5.575 927 HD2 ARG 115 2HD ARG 115 -7.799 -24.381 4.261 928 HD3 ARG 115 1HD ARG 115 -7.117 -22.815 4.724 929 HE ARG 115 HE ARG 115 -6.464 -23.872 2.063 930 HH11 ARG 115 1HH1 ARG 115 -8.406 -21.571 3.915 931 HH12 ARG 115 2HH1 ARG 115 -8.775 -20.596 2.524 932 HH21 ARG 115 1HH2 ARG 115 -6.907 -22.539 0.277 933 HH22 ARG 115 2HH2 ARG 115 -7.924 -21.144 0.471 934 H LEU 116 H LEU 116 -2.658 -20.688 6.252 935 HA LEU 116 HA LEU 116 -0.760 -19.969 4.154 936 HB2 LEU 116 2HB LEU 116 -1.004 -19.065 7.057 937 HB3 LEU 116 1HB LEU 116 0.283 -18.539 5.991 938 HG LEU 116 HG LEU 116 -1.477 -17.529 4.466 939 HD11 LEU 116 1HD1 LEU 116 -3.706 -17.049 5.337 940 HD12 LEU 116 2HD1 LEU 116 -3.371 -18.047 6.757 941 HD13 LEU 116 3HD1 LEU 116 -3.433 -18.782 5.155 942 HD21 LEU 116 1HD2 LEU 116 -0.178 -16.134 5.981 943 HD22 LEU 116 2HD2 LEU 116 -1.358 -16.390 7.264 944 HD23 LEU 116 3HD2 LEU 116 -1.817 -15.513 5.802 945 H PHE 117 H PHE 117 -0.857 -21.869 7.116 946 HA PHE 117 HA PHE 117 0.497 -23.335 8.136 947 HB2 PHE 117 2HB PHE 117 1.843 -23.562 5.420 948 HB3 PHE 117 1HB PHE 117 2.178 -24.627 6.775 949 HD1 PHE 117 HD1 PHE 117 0.246 -26.041 7.713 950 HD2 PHE 117 HD2 PHE 117 0.029 -24.039 3.935 951 HE1 PHE 117 HE1 PHE 117 -1.587 -27.532 7.023 952 HE2 PHE 117 HE2 PHE 117 -1.804 -25.533 3.256 953 HZ PHE 117 HZ PHE 117 -2.611 -27.282 4.796 Start of MODEL 6 1 H1 MET 1 1H MET 1 7.817 20.514 -22.689 2 H2 MET 1 2H MET 1 9.157 21.311 -22.036 3 H3 MET 1 3H MET 1 7.623 22.007 -21.928 4 HA MET 1 HA MET 1 8.474 19.490 -20.641 5 HB2 MET 1 2HB MET 1 7.919 22.251 -19.456 6 HB3 MET 1 1HB MET 1 8.185 20.795 -18.502 7 HG2 MET 1 2HG MET 1 10.462 20.606 -19.410 8 HG3 MET 1 1HG MET 1 10.200 22.063 -20.374 9 HE1 MET 1 1HE MET 1 12.427 23.152 -19.319 10 HE2 MET 1 2HE MET 1 12.676 21.679 -18.376 11 HE3 MET 1 3HE MET 1 12.715 23.254 -17.583 12 H SER 2 H SER 2 6.881 18.533 -19.296 13 HA SER 2 HA SER 2 4.315 18.308 -20.449 14 HB2 SER 2 2HB SER 2 5.270 17.356 -17.703 15 HB3 SER 2 1HB SER 2 3.863 16.741 -18.585 16 HG SER 2 HG SER 2 6.036 16.623 -20.162 17 H GLY 3 H GLY 3 2.255 18.954 -19.740 18 HA2 GLY 3 2HA GLY 3 1.887 21.412 -18.397 19 HA3 GLY 3 1HA GLY 3 0.628 20.237 -18.729 20 H SER 4 H SER 4 1.551 18.087 -17.284 21 HA SER 4 HA SER 4 1.125 18.820 -14.495 22 HB2 SER 4 2HB SER 4 1.594 16.090 -15.786 23 HB3 SER 4 1HB SER 4 1.029 16.380 -14.138 24 HG SER 4 HG SER 4 -0.872 17.152 -14.915 25 H HIS 5 H HIS 5 3.297 20.097 -15.004 26 HA HIS 5 HA HIS 5 5.779 18.674 -15.008 27 HB2 HIS 5 2HB HIS 5 6.834 20.895 -14.817 28 HB3 HIS 5 1HB HIS 5 5.573 20.912 -16.041 29 HD1 HIS 5 HD1 HIS 5 3.292 22.130 -15.358 30 HD2 HIS 5 HD2 HIS 5 6.507 22.770 -12.800 31 HE1 HIS 5 HE1 HIS 5 2.654 24.091 -13.937 32 HE2 HIS 5 HE2 HIS 5 4.676 24.560 -12.527 33 H HIS 6 H HIS 6 3.606 19.470 -12.510 34 HA HIS 6 HA HIS 6 5.512 19.316 -10.311 35 HB2 HIS 6 2HB HIS 6 3.242 20.652 -10.379 36 HB3 HIS 6 1HB HIS 6 2.475 19.098 -10.097 37 HD1 HIS 6 HD1 HIS 6 2.144 18.523 -7.683 38 HD2 HIS 6 HD2 HIS 6 5.144 21.342 -8.233 39 HE1 HIS 6 HE1 HIS 6 2.834 19.251 -5.381 40 HE2 HIS 6 HE2 HIS 6 4.569 21.028 -5.747 41 H HIS 7 H HIS 7 6.210 17.270 -11.610 42 HA HIS 7 HA HIS 7 4.505 14.982 -11.797 43 HB2 HIS 7 2HB HIS 7 6.254 15.558 -13.476 44 HB3 HIS 7 1HB HIS 7 7.511 15.256 -12.281 45 HD1 HIS 7 HD1 HIS 7 8.236 12.857 -11.949 46 HD2 HIS 7 HD2 HIS 7 4.917 13.177 -14.418 47 HE1 HIS 7 HE1 HIS 7 7.945 10.599 -12.981 48 HE2 HIS 7 HE2 HIS 7 5.822 10.766 -14.316 49 H HIS 8 H HIS 8 6.940 16.057 -9.536 50 HA HIS 8 HA HIS 8 7.312 13.606 -8.104 51 HB2 HIS 8 2HB HIS 8 7.878 16.507 -7.375 52 HB3 HIS 8 1HB HIS 8 8.229 15.178 -6.280 53 HD1 HIS 8 HD1 HIS 8 10.695 15.104 -6.274 54 HD2 HIS 8 HD2 HIS 8 9.171 15.343 -10.125 55 HE1 HIS 8 HE1 HIS 8 12.661 14.835 -7.797 56 HE2 HIS 8 HE2 HIS 8 11.689 14.819 -10.113 57 H HIS 9 H HIS 9 5.093 16.331 -7.896 58 HA HIS 9 HA HIS 9 3.183 16.751 -6.781 59 HB2 HIS 9 2HB HIS 9 3.069 13.719 -6.550 60 HB3 HIS 9 1HB HIS 9 1.738 14.780 -6.106 61 HD1 HIS 9 HD1 HIS 9 3.476 13.296 -9.031 62 HD2 HIS 9 HD2 HIS 9 0.369 15.948 -8.289 63 HE1 HIS 9 HE1 HIS 9 2.277 13.568 -11.208 64 HE2 HIS 9 HE2 HIS 9 0.264 14.963 -10.670 65 H HIS 10 H HIS 10 5.638 16.877 -5.222 66 HA HIS 10 HA HIS 10 5.138 15.834 -2.594 67 HB2 HIS 10 2HB HIS 10 7.456 16.287 -3.384 68 HB3 HIS 10 1HB HIS 10 7.103 18.010 -3.432 69 HD1 HIS 10 HD1 HIS 10 7.676 19.274 -1.354 70 HD2 HIS 10 HD2 HIS 10 7.252 15.209 -0.614 71 HE1 HIS 10 HE1 HIS 10 8.318 18.952 1.049 72 HE2 HIS 10 HE2 HIS 10 8.194 16.470 1.430 73 H SER 11 H SER 11 2.976 16.523 -2.353 74 HA SER 11 HA SER 11 2.266 18.608 -0.729 75 HB2 SER 11 2HB SER 11 2.847 20.189 -2.578 76 HB3 SER 11 1HB SER 11 1.772 19.329 -3.676 77 HG SER 11 HG SER 11 0.051 20.150 -2.653 78 H SER 12 H SER 12 0.158 18.142 -0.070 79 HA SER 12 HA SER 12 -1.311 16.052 -1.499 80 HB2 SER 12 2HB SER 12 -0.988 15.860 0.974 81 HB3 SER 12 1HB SER 12 -1.941 17.331 1.196 82 HG SER 12 HG SER 12 -3.668 16.170 1.000 83 H GLY 13 H GLY 13 -2.073 17.160 -3.307 84 HA2 GLY 13 2HA GLY 13 -3.766 19.541 -3.077 85 HA3 GLY 13 1HA GLY 13 -3.300 18.701 -4.549 86 H ILE 14 H ILE 14 -5.220 18.224 -1.612 87 HA ILE 14 HA ILE 14 -7.539 17.317 -3.091 88 HB ILE 14 HB ILE 14 -6.174 15.234 -2.955 89 HG12 ILE 14 2HG1 ILE 14 -8.728 15.170 -1.275 90 HG13 ILE 14 1HG1 ILE 14 -8.600 14.978 -3.019 91 HG21 ILE 14 1HG2 ILE 14 -5.690 14.118 -0.812 92 HG22 ILE 14 2HG2 ILE 14 -6.331 15.508 0.066 93 HG23 ILE 14 3HG2 ILE 14 -4.886 15.685 -0.929 94 HD11 ILE 14 1HD1 ILE 14 -7.314 12.893 -2.644 95 HD12 ILE 14 2HD1 ILE 14 -8.969 12.855 -2.040 96 HD13 ILE 14 3HD1 ILE 14 -7.628 13.064 -0.912 97 H GLU 15 H GLU 15 -9.422 17.176 -1.685 98 HA GLU 15 HA GLU 15 -9.501 17.798 1.042 99 HB2 GLU 15 2HB GLU 15 -10.255 20.151 1.065 100 HB3 GLU 15 1HB GLU 15 -8.606 20.012 0.477 101 HG2 GLU 15 2HG GLU 15 -9.354 20.374 -1.830 102 HG3 GLU 15 1HG GLU 15 -11.041 20.399 -1.307 103 H GLY 16 H GLY 16 -11.059 18.105 -2.110 104 HA2 GLY 16 2HA GLY 16 -13.750 17.650 -1.117 105 HA3 GLY 16 1HA GLY 16 -13.222 17.707 -2.796 106 H ARG 17 H ARG 17 -12.803 15.715 0.121 107 HA ARG 17 HA ARG 17 -12.083 13.365 -1.452 108 HB2 ARG 17 2HB ARG 17 -12.362 13.583 1.578 109 HB3 ARG 17 1HB ARG 17 -11.497 12.338 0.669 110 HG2 ARG 17 2HG ARG 17 -9.894 14.070 -0.111 111 HG3 ARG 17 1HG ARG 17 -10.734 15.273 0.872 112 HD2 ARG 17 2HD ARG 17 -10.220 13.865 2.884 113 HD3 ARG 17 1HD ARG 17 -9.253 12.815 1.847 114 HE ARG 17 HE ARG 17 -8.671 15.688 2.104 115 HH11 ARG 17 1HH1 ARG 17 -7.528 12.361 2.386 116 HH12 ARG 17 2HH1 ARG 17 -5.889 12.856 2.680 117 HH21 ARG 17 1HH2 ARG 17 -6.575 16.292 2.488 118 HH22 ARG 17 2HH2 ARG 17 -5.350 15.092 2.735 119 H GLY 18 H GLY 18 -14.586 14.321 0.912 120 HA2 GLY 18 2HA GLY 18 -16.507 12.430 -0.279 121 HA3 GLY 18 1HA GLY 18 -16.070 12.203 1.411 122 H ARG 19 H ARG 19 -17.917 14.039 -0.817 123 HA ARG 19 HA ARG 19 -18.843 16.026 1.091 124 HB2 ARG 19 2HB ARG 19 -19.519 15.364 -1.782 125 HB3 ARG 19 1HB ARG 19 -20.619 16.371 -0.860 126 HG2 ARG 19 2HG ARG 19 -19.048 17.674 -2.282 127 HG3 ARG 19 1HG ARG 19 -18.961 18.088 -0.576 128 HD2 ARG 19 2HD ARG 19 -16.977 16.176 -1.849 129 HD3 ARG 19 1HD ARG 19 -16.747 17.924 -1.897 130 HE ARG 19 HE ARG 19 -16.824 16.292 0.578 131 HH11 ARG 19 1HH1 ARG 19 -15.725 19.185 -1.081 132 HH12 ARG 19 2HH1 ARG 19 -14.762 19.717 0.260 133 HH21 ARG 19 1HH2 ARG 19 -15.577 16.999 2.307 134 HH22 ARG 19 2HH2 ARG 19 -14.681 18.478 2.174 135 H MET 20 H MET 20 -20.106 13.109 -0.453 136 HA MET 20 HA MET 20 -22.365 12.949 1.433 137 HB2 MET 20 2HB MET 20 -22.864 12.717 -0.989 138 HB3 MET 20 1HB MET 20 -21.765 11.351 -1.096 139 HG2 MET 20 2HG MET 20 -23.228 10.055 0.409 140 HG3 MET 20 1HG MET 20 -24.322 11.433 0.529 141 HE1 MET 20 1HE MET 20 -25.761 12.358 -1.558 142 HE2 MET 20 2HE MET 20 -25.681 11.655 -3.171 143 HE3 MET 20 3HE MET 20 -24.291 12.526 -2.526 144 H LYS 21 H LYS 21 -19.489 11.172 0.321 145 HA LYS 21 HA LYS 21 -19.969 8.921 2.135 146 HB2 LYS 21 2HB LYS 21 -17.818 9.433 0.039 147 HB3 LYS 21 1HB LYS 21 -17.785 8.038 1.106 148 HG2 LYS 21 2HG LYS 21 -18.676 7.338 -1.003 149 HG3 LYS 21 1HG LYS 21 -19.986 7.318 0.176 150 HD2 LYS 21 2HD LYS 21 -20.810 9.482 -0.739 151 HD3 LYS 21 1HD LYS 21 -19.501 9.472 -1.923 152 HE2 LYS 21 2HE LYS 21 -21.691 7.372 -1.729 153 HE3 LYS 21 1HE LYS 21 -21.675 8.714 -2.871 154 HZ1 LYS 21 1HZ LYS 21 -19.635 6.569 -2.733 155 HZ2 LYS 21 2HZ LYS 21 -19.672 7.832 -3.849 156 HZ3 LYS 21 3HZ LYS 21 -20.886 6.657 -3.865 157 H LYS 22 H LYS 22 -19.514 9.395 4.196 158 HA LYS 22 HA LYS 22 -17.543 11.224 5.112 159 HB2 LYS 22 2HB LYS 22 -19.715 10.510 6.303 160 HB3 LYS 22 1HB LYS 22 -18.879 9.033 6.754 161 HG2 LYS 22 2HG LYS 22 -18.788 10.552 8.617 162 HG3 LYS 22 1HG LYS 22 -17.159 10.425 7.938 163 HD2 LYS 22 2HD LYS 22 -17.490 12.565 6.735 164 HD3 LYS 22 1HD LYS 22 -19.132 12.676 7.375 165 HE2 LYS 22 2HE LYS 22 -17.650 14.119 8.651 166 HE3 LYS 22 1HE LYS 22 -18.199 12.791 9.673 167 HZ1 LYS 22 1HZ LYS 22 -15.571 12.982 8.317 168 HZ2 LYS 22 2HZ LYS 22 -16.090 11.662 9.231 169 HZ3 LYS 22 3HZ LYS 22 -15.862 13.166 9.966 170 H LYS 23 H LYS 23 -15.417 10.780 4.773 171 HA LYS 23 HA LYS 23 -14.313 8.124 5.446 172 HB2 LYS 23 2HB LYS 23 -12.857 8.304 3.354 173 HB3 LYS 23 1HB LYS 23 -14.563 7.963 3.094 174 HG2 LYS 23 2HG LYS 23 -14.886 10.436 2.598 175 HG3 LYS 23 1HG LYS 23 -13.126 10.597 2.613 176 HD2 LYS 23 2HD LYS 23 -14.757 8.817 0.752 177 HD3 LYS 23 1HD LYS 23 -13.981 10.341 0.320 178 HE2 LYS 23 2HE LYS 23 -12.538 7.793 1.170 179 HE3 LYS 23 1HE LYS 23 -12.661 8.429 -0.472 180 HZ1 LYS 23 1HZ LYS 23 -11.259 9.668 1.813 181 HZ2 LYS 23 2HZ LYS 23 -11.511 10.438 0.338 182 HZ3 LYS 23 3HZ LYS 23 -10.568 9.041 0.406 183 H GLN 24 H GLN 24 -12.003 8.140 5.794 184 HA GLN 24 HA GLN 24 -11.436 10.146 7.761 185 HB2 GLN 24 2HB GLN 24 -9.773 7.795 6.766 186 HB3 GLN 24 1HB GLN 24 -9.459 8.711 8.243 187 HG2 GLN 24 2HG GLN 24 -11.482 7.909 9.261 188 HG3 GLN 24 1HG GLN 24 -12.036 7.195 7.746 189 HE21 GLN 24 1HE2 GLN 24 -12.228 5.151 8.587 190 HE22 GLN 24 2HE2 GLN 24 -10.894 4.196 9.093 191 H ILE 25 H ILE 25 -10.224 11.920 7.559 192 HA ILE 25 HA ILE 25 -8.730 12.502 5.112 193 HB ILE 25 HB ILE 25 -9.585 14.168 7.527 194 HG12 ILE 25 2HG1 ILE 25 -10.669 15.687 5.951 195 HG13 ILE 25 1HG1 ILE 25 -9.907 14.940 4.566 196 HG21 ILE 25 1HG2 ILE 25 -8.284 16.136 6.734 197 HG22 ILE 25 2HG2 ILE 25 -7.508 15.112 5.526 198 HG23 ILE 25 3HG2 ILE 25 -7.244 14.802 7.241 199 HD11 ILE 25 1HD1 ILE 25 -12.095 13.783 6.275 200 HD12 ILE 25 2HD1 ILE 25 -11.334 12.958 4.912 201 HD13 ILE 25 3HD1 ILE 25 -12.237 14.445 4.652 202 H GLU 26 H GLU 26 -8.128 11.994 8.580 203 HA GLU 26 HA GLU 26 -5.405 12.774 8.647 204 HB2 GLU 26 2HB GLU 26 -6.885 12.673 10.661 205 HB3 GLU 26 1HB GLU 26 -6.915 10.916 10.546 206 HG2 GLU 26 2HG GLU 26 -4.433 10.906 10.889 207 HG3 GLU 26 1HG GLU 26 -4.489 12.647 11.135 208 H PHE 27 H PHE 27 -6.846 9.508 8.777 209 HA PHE 27 HA PHE 27 -4.417 8.041 8.725 210 HB2 PHE 27 2HB PHE 27 -6.781 7.294 9.528 211 HB3 PHE 27 1HB PHE 27 -7.119 6.932 7.849 212 HD1 PHE 27 HD1 PHE 27 -5.339 5.905 10.883 213 HD2 PHE 27 HD2 PHE 27 -5.974 4.969 6.748 214 HE1 PHE 27 HE1 PHE 27 -4.438 3.655 11.247 215 HE2 PHE 27 HE2 PHE 27 -5.053 2.721 7.143 216 HZ PHE 27 HZ PHE 27 -4.294 2.058 9.378 217 H GLU 28 H GLU 28 -6.515 9.300 6.214 218 HA GLU 28 HA GLU 28 -5.531 7.690 4.057 219 HB2 GLU 28 2HB GLU 28 -7.778 8.679 3.927 220 HB3 GLU 28 1HB GLU 28 -7.091 10.298 3.948 221 HG2 GLU 28 2HG GLU 28 -6.040 9.952 1.783 222 HG3 GLU 28 1HG GLU 28 -6.504 8.253 1.792 223 H ASN 29 H ASN 29 -4.869 10.961 5.307 224 HA ASN 29 HA ASN 29 -2.982 11.729 3.335 225 HB2 ASN 29 2HB ASN 29 -3.581 12.785 6.104 226 HB3 ASN 29 1HB ASN 29 -2.105 13.304 5.301 227 HD21 ASN 29 1HD2 ASN 29 -4.347 14.929 6.016 228 HD22 ASN 29 2HD2 ASN 29 -4.934 15.628 4.551 229 H GLU 30 H GLU 30 -2.682 10.039 6.400 230 HA GLU 30 HA GLU 30 0.172 10.041 6.558 231 HB2 GLU 30 2HB GLU 30 -1.724 9.440 8.396 232 HB3 GLU 30 1HB GLU 30 -1.410 7.801 7.850 233 HG2 GLU 30 2HG GLU 30 0.568 9.729 9.101 234 HG3 GLU 30 1HG GLU 30 -0.124 8.295 9.850 235 H LEU 31 H LEU 31 -2.186 7.714 5.341 236 HA LEU 31 HA LEU 31 -0.315 5.618 4.672 237 HB2 LEU 31 2HB LEU 31 -2.688 5.065 5.049 238 HB3 LEU 31 1HB LEU 31 -3.161 5.981 3.633 239 HG LEU 31 HG LEU 31 -1.279 3.634 3.236 240 HD11 LEU 31 1HD1 LEU 31 -3.154 2.041 2.952 241 HD12 LEU 31 2HD1 LEU 31 -4.266 3.231 3.626 242 HD13 LEU 31 3HD1 LEU 31 -2.958 2.568 4.616 243 HD21 LEU 31 1HD2 LEU 31 -1.814 4.975 1.246 244 HD22 LEU 31 2HD2 LEU 31 -3.540 4.658 1.464 245 HD23 LEU 31 3HD2 LEU 31 -2.439 3.337 1.091 246 H ARG 32 H ARG 32 -1.757 8.274 2.866 247 HA ARG 32 HA ARG 32 -0.818 7.416 0.315 248 HB2 ARG 32 2HB ARG 32 -2.895 8.797 0.691 249 HB3 ARG 32 1HB ARG 32 -1.863 10.158 1.073 250 HG2 ARG 32 2HG ARG 32 -2.753 10.215 -1.248 251 HG3 ARG 32 1HG ARG 32 -0.995 10.230 -1.172 252 HD2 ARG 32 2HD ARG 32 -1.059 7.709 -1.581 253 HD3 ARG 32 1HD ARG 32 -2.782 7.898 -1.900 254 HE ARG 32 HE ARG 32 -2.288 9.161 -3.827 255 HH11 ARG 32 1HH1 ARG 32 0.634 7.856 -2.346 256 HH12 ARG 32 2HH1 ARG 32 1.581 8.066 -3.780 257 HH21 ARG 32 1HH2 ARG 32 -1.048 9.430 -5.652 258 HH22 ARG 32 2HH2 ARG 32 0.622 8.966 -5.663 259 H SER 33 H SER 33 0.368 9.501 2.873 260 HA SER 33 HA SER 33 2.357 10.944 1.465 261 HB2 SER 33 2HB SER 33 1.495 11.676 3.660 262 HB3 SER 33 1HB SER 33 2.190 10.246 4.427 263 HG SER 33 HG SER 33 3.874 11.466 4.679 264 H MET 34 H MET 34 2.485 7.929 3.400 265 HA MET 34 HA MET 34 5.314 7.512 2.999 266 HB2 MET 34 2HB MET 34 3.156 5.531 3.872 267 HB3 MET 34 1HB MET 34 4.873 5.164 3.842 268 HG2 MET 34 2HG MET 34 5.228 6.967 5.556 269 HG3 MET 34 1HG MET 34 3.474 7.151 5.661 270 HE1 MET 34 1HE MET 34 2.625 4.029 5.212 271 HE2 MET 34 2HE MET 34 1.852 5.080 6.402 272 HE3 MET 34 3HE MET 34 2.490 3.510 6.889 273 H LEU 35 H LEU 35 2.371 6.535 1.365 274 HA LEU 35 HA LEU 35 3.547 4.665 -0.426 275 HB2 LEU 35 2HB LEU 35 1.012 4.999 0.065 276 HB3 LEU 35 1HB LEU 35 1.074 6.318 -1.085 277 HG LEU 35 HG LEU 35 1.789 3.478 -1.907 278 HD11 LEU 35 1HD1 LEU 35 -0.978 4.667 -1.872 279 HD12 LEU 35 2HD1 LEU 35 -0.390 3.272 -0.963 280 HD13 LEU 35 3HD1 LEU 35 -0.505 3.187 -2.709 281 HD21 LEU 35 1HD2 LEU 35 0.797 5.846 -3.516 282 HD22 LEU 35 2HD2 LEU 35 1.126 4.236 -4.158 283 HD23 LEU 35 3HD2 LEU 35 2.438 5.211 -3.507 284 H ALA 36 H ALA 36 3.278 8.173 -0.490 285 HA ALA 36 HA ALA 36 4.069 8.721 -3.141 286 HB1 ALA 36 1HB ALA 36 4.667 10.956 -2.311 287 HB2 ALA 36 2HB ALA 36 4.570 10.377 -0.645 288 HB3 ALA 36 3HB ALA 36 3.126 10.425 -1.648 289 H THR 37 H THR 37 5.997 8.418 -0.149 290 HA THR 37 HA THR 37 8.569 8.729 -1.222 291 HB THR 37 HB THR 37 7.749 7.007 1.166 292 HG1 THR 37 HG1 THR 37 7.974 8.842 2.367 293 HG21 THR 37 1HG2 THR 37 10.058 7.423 2.000 294 HG22 THR 37 2HG2 THR 37 10.454 8.242 0.490 295 HG23 THR 37 3HG2 THR 37 10.074 6.519 0.477 296 H ALA 38 H ALA 38 6.508 5.863 -0.835 297 HA ALA 38 HA ALA 38 8.406 3.880 -1.478 298 HB1 ALA 38 1HB ALA 38 6.393 3.389 -0.194 299 HB2 ALA 38 2HB ALA 38 6.470 2.355 -1.622 300 HB3 ALA 38 3HB ALA 38 5.383 3.742 -1.589 301 H LEU 39 H LEU 39 6.147 5.724 -3.564 302 HA LEU 39 HA LEU 39 6.799 4.212 -5.942 303 HB2 LEU 39 2HB LEU 39 5.587 6.994 -5.817 304 HB3 LEU 39 1HB LEU 39 5.655 5.962 -7.233 305 HG LEU 39 HG LEU 39 3.870 5.674 -4.801 306 HD11 LEU 39 1HD1 LEU 39 2.058 5.885 -6.389 307 HD12 LEU 39 2HD1 LEU 39 3.216 6.035 -7.714 308 HD13 LEU 39 3HD1 LEU 39 3.143 7.272 -6.458 309 HD21 LEU 39 1HD2 LEU 39 4.453 3.375 -5.248 310 HD22 LEU 39 2HD2 LEU 39 4.262 3.599 -6.992 311 HD23 LEU 39 3HD2 LEU 39 2.857 3.652 -5.929 312 H GLU 40 H GLU 40 8.294 6.889 -4.293 313 HA GLU 40 HA GLU 40 10.069 7.560 -6.492 314 HB2 GLU 40 2HB GLU 40 10.286 8.206 -3.514 315 HB3 GLU 40 1HB GLU 40 11.322 8.870 -4.782 316 HG2 GLU 40 2HG GLU 40 9.417 9.977 -5.822 317 HG3 GLU 40 1HG GLU 40 8.313 9.244 -4.654 318 H LYS 41 H LYS 41 10.016 5.279 -3.832 319 HA LYS 41 HA LYS 41 12.803 4.504 -3.975 320 HB2 LYS 41 2HB LYS 41 10.396 3.206 -2.632 321 HB3 LYS 41 1HB LYS 41 12.057 2.644 -2.439 322 HG2 LYS 41 2HG LYS 41 11.076 5.411 -1.666 323 HG3 LYS 41 1HG LYS 41 11.213 4.049 -0.547 324 HD2 LYS 41 2HD LYS 41 13.698 3.935 -1.150 325 HD3 LYS 41 1HD LYS 41 13.492 5.452 -2.026 326 HE2 LYS 41 2HE LYS 41 14.458 5.667 0.310 327 HE3 LYS 41 1HE LYS 41 13.028 6.658 0.038 328 HZ1 LYS 41 1HZ LYS 41 11.713 4.957 1.162 329 HZ2 LYS 41 2HZ LYS 41 12.943 5.540 2.159 330 HZ3 LYS 41 3HZ LYS 41 13.100 4.027 1.422 331 H ASP 42 H ASP 42 13.519 2.326 -4.571 332 HA ASP 42 HA ASP 42 12.486 1.423 -7.093 333 HB2 ASP 42 2HB ASP 42 14.650 0.245 -5.287 334 HB3 ASP 42 1HB ASP 42 14.238 -0.399 -6.876 335 H ILE 43 H ILE 43 10.605 0.424 -7.139 336 HA ILE 43 HA ILE 43 10.037 -1.837 -5.302 337 HB ILE 43 HB ILE 43 7.594 -1.255 -5.512 338 HG12 ILE 43 2HG1 ILE 43 8.625 1.263 -6.915 339 HG13 ILE 43 1HG1 ILE 43 7.573 0.032 -7.601 340 HG21 ILE 43 1HG2 ILE 43 7.628 0.675 -3.934 341 HG22 ILE 43 2HG2 ILE 43 9.342 0.909 -4.281 342 HG23 ILE 43 3HG2 ILE 43 8.791 -0.576 -3.505 343 HD11 ILE 43 1HD1 ILE 43 6.839 1.932 -5.373 344 HD12 ILE 43 2HD1 ILE 43 5.783 0.713 -6.087 345 HD13 ILE 43 3HD1 ILE 43 6.358 2.057 -7.064 346 H SER 44 H SER 44 9.251 -3.676 -6.248 347 HA SER 44 HA SER 44 9.783 -4.214 -9.008 348 HB2 SER 44 2HB SER 44 8.181 -5.934 -7.023 349 HB3 SER 44 1HB SER 44 8.981 -6.503 -8.486 350 HG SER 44 HG SER 44 10.932 -5.519 -7.412 351 H GLN 45 H GLN 45 8.242 -4.801 -10.726 352 HA GLN 45 HA GLN 45 6.205 -3.189 -11.353 353 HB2 GLN 45 2HB GLN 45 7.198 -4.845 -12.890 354 HB3 GLN 45 1HB GLN 45 6.357 -6.149 -12.072 355 HG2 GLN 45 2HG GLN 45 4.182 -5.091 -12.775 356 HG3 GLN 45 1HG GLN 45 5.102 -3.931 -13.723 357 HE21 GLN 45 1HE2 GLN 45 5.823 -7.385 -13.377 358 HE22 GLN 45 2HE2 GLN 45 5.529 -7.790 -15.029 359 H GLU 46 H GLU 46 5.778 -6.079 -9.301 360 HA GLU 46 HA GLU 46 2.891 -6.045 -9.324 361 HB2 GLU 46 2HB GLU 46 4.888 -7.602 -7.620 362 HB3 GLU 46 1HB GLU 46 3.146 -7.809 -7.505 363 HG2 GLU 46 2HG GLU 46 4.116 -9.602 -8.837 364 HG3 GLU 46 1HG GLU 46 3.065 -8.601 -9.838 365 H GLU 47 H GLU 47 5.328 -4.515 -7.475 366 HA GLU 47 HA GLU 47 3.781 -4.111 -5.042 367 HB2 GLU 47 2HB GLU 47 6.473 -4.463 -5.405 368 HB3 GLU 47 1HB GLU 47 6.437 -2.727 -5.545 369 HG2 GLU 47 2HG GLU 47 5.616 -4.360 -3.116 370 HG3 GLU 47 1HG GLU 47 7.091 -3.432 -3.309 371 H ARG 48 H ARG 48 5.171 -2.284 -7.747 372 HA ARG 48 HA ARG 48 4.023 0.221 -7.361 373 HB2 ARG 48 2HB ARG 48 5.795 -0.327 -9.048 374 HB3 ARG 48 1HB ARG 48 4.547 -1.099 -10.029 375 HG2 ARG 48 2HG ARG 48 3.342 1.081 -10.143 376 HG3 ARG 48 1HG ARG 48 4.654 1.829 -9.236 377 HD2 ARG 48 2HD ARG 48 6.216 1.264 -11.072 378 HD3 ARG 48 1HD ARG 48 4.879 0.552 -11.980 379 HE ARG 48 HE ARG 48 3.910 2.976 -11.593 380 HH11 ARG 48 1HH1 ARG 48 7.176 2.122 -12.581 381 HH12 ARG 48 2HH1 ARG 48 7.406 3.591 -13.466 382 HH21 ARG 48 1HH2 ARG 48 4.252 4.890 -12.708 383 HH22 ARG 48 2HH2 ARG 48 5.747 5.157 -13.535 384 H ASN 49 H ASN 49 2.804 -2.695 -8.928 385 HA ASN 49 HA ASN 49 0.445 -1.733 -10.074 386 HB2 ASN 49 2HB ASN 49 1.542 -3.975 -10.503 387 HB3 ASN 49 1HB ASN 49 0.877 -4.542 -8.980 388 HD21 ASN 49 1HD2 ASN 49 0.457 -5.334 -11.856 389 HD22 ASN 49 2HD2 ASN 49 -1.256 -5.341 -12.065 390 H ALA 50 H ALA 50 0.898 -3.308 -6.862 391 HA ALA 50 HA ALA 50 -1.881 -3.148 -6.197 392 HB1 ALA 50 1HB ALA 50 -1.207 -3.977 -3.974 393 HB2 ALA 50 2HB ALA 50 0.486 -3.752 -4.414 394 HB3 ALA 50 3HB ALA 50 -0.497 -4.925 -5.280 395 H LEU 51 H LEU 51 0.924 -1.003 -5.460 396 HA LEU 51 HA LEU 51 -0.623 0.693 -3.702 397 HB2 LEU 51 2HB LEU 51 1.939 1.373 -5.190 398 HB3 LEU 51 1HB LEU 51 1.212 2.354 -3.944 399 HG LEU 51 HG LEU 51 2.608 -0.329 -3.589 400 HD11 LEU 51 1HD1 LEU 51 4.177 0.915 -2.190 401 HD12 LEU 51 2HD1 LEU 51 3.271 2.401 -2.463 402 HD13 LEU 51 3HD1 LEU 51 4.099 1.625 -3.796 403 HD21 LEU 51 1HD2 LEU 51 0.815 -0.474 -2.004 404 HD22 LEU 51 2HD2 LEU 51 1.015 1.209 -1.502 405 HD23 LEU 51 3HD2 LEU 51 2.241 0.009 -1.098 406 H ASN 52 H ASN 52 -0.120 0.645 -7.192 407 HA ASN 52 HA ASN 52 -1.417 3.090 -7.795 408 HB2 ASN 52 2HB ASN 52 -0.867 0.612 -9.417 409 HB3 ASN 52 1HB ASN 52 -1.940 1.840 -10.067 410 HD21 ASN 52 1HD2 ASN 52 -0.546 2.242 -11.765 411 HD22 ASN 52 2HD2 ASN 52 0.932 3.105 -11.565 412 H ILE 53 H ILE 53 -2.584 -0.229 -7.412 413 HA ILE 53 HA ILE 53 -5.321 0.149 -8.009 414 HB ILE 53 HB ILE 53 -3.921 -1.934 -6.289 415 HG12 ILE 53 2HG1 ILE 53 -5.202 -2.124 -9.061 416 HG13 ILE 53 1HG1 ILE 53 -3.480 -2.077 -8.726 417 HG21 ILE 53 1HG2 ILE 53 -6.036 -3.256 -6.236 418 HG22 ILE 53 2HG2 ILE 53 -6.892 -1.893 -6.960 419 HG23 ILE 53 3HG2 ILE 53 -6.177 -1.733 -5.357 420 HD11 ILE 53 1HD1 ILE 53 -4.208 -4.309 -9.272 421 HD12 ILE 53 2HD1 ILE 53 -5.362 -4.292 -7.938 422 HD13 ILE 53 3HD1 ILE 53 -3.627 -4.237 -7.609 423 H ALA 54 H ALA 54 -3.436 0.403 -5.030 424 HA ALA 54 HA ALA 54 -5.418 0.872 -3.130 425 HB1 ALA 54 1HB ALA 54 -3.667 1.843 -1.736 426 HB2 ALA 54 2HB ALA 54 -2.627 2.078 -3.145 427 HB3 ALA 54 3HB ALA 54 -3.016 0.449 -2.603 428 H GLU 55 H GLU 55 -3.492 3.315 -4.949 429 HA GLU 55 HA GLU 55 -4.700 5.589 -3.771 430 HB2 GLU 55 2HB GLU 55 -2.470 5.711 -4.764 431 HB3 GLU 55 1HB GLU 55 -3.099 5.307 -6.347 432 HG2 GLU 55 2HG GLU 55 -3.963 7.842 -4.938 433 HG3 GLU 55 1HG GLU 55 -2.454 7.787 -5.833 434 H LYS 56 H LYS 56 -5.318 3.913 -6.854 435 HA LYS 56 HA LYS 56 -7.105 5.856 -7.918 436 HB2 LYS 56 2HB LYS 56 -6.662 2.944 -8.624 437 HB3 LYS 56 1HB LYS 56 -7.805 3.958 -9.487 438 HG2 LYS 56 2HG LYS 56 -6.060 5.409 -10.272 439 HG3 LYS 56 1HG LYS 56 -4.855 4.622 -9.250 440 HD2 LYS 56 2HD LYS 56 -5.098 2.534 -10.550 441 HD3 LYS 56 1HD LYS 56 -6.342 3.294 -11.551 442 HE2 LYS 56 2HE LYS 56 -3.461 4.228 -11.354 443 HE3 LYS 56 1HE LYS 56 -4.110 3.232 -12.655 444 HZ1 LYS 56 1HZ LYS 56 -5.620 5.026 -13.226 445 HZ2 LYS 56 2HZ LYS 56 -4.019 5.556 -13.273 446 HZ3 LYS 56 3HZ LYS 56 -5.009 5.978 -11.972 447 H ALA 57 H ALA 57 -7.502 3.096 -5.833 448 HA ALA 57 HA ALA 57 -10.371 3.004 -5.881 449 HB1 ALA 57 1HB ALA 57 -10.082 1.414 -3.994 450 HB2 ALA 57 2HB ALA 57 -8.350 1.733 -4.024 451 HB3 ALA 57 3HB ALA 57 -9.122 0.976 -5.412 452 H LEU 58 H LEU 58 -7.894 4.555 -3.789 453 HA LEU 58 HA LEU 58 -9.619 5.468 -1.708 454 HB2 LEU 58 2HB LEU 58 -7.235 7.064 -2.726 455 HB3 LEU 58 1HB LEU 58 -7.938 7.140 -1.117 456 HG LEU 58 HG LEU 58 -6.119 4.939 -2.266 457 HD11 LEU 58 1HD1 LEU 58 -5.487 6.634 0.145 458 HD12 LEU 58 2HD1 LEU 58 -4.888 6.934 -1.486 459 HD13 LEU 58 3HD1 LEU 58 -4.465 5.449 -0.659 460 HD21 LEU 58 1HD2 LEU 58 -7.628 3.643 -0.894 461 HD22 LEU 58 2HD2 LEU 58 -7.481 4.774 0.461 462 HD23 LEU 58 3HD2 LEU 58 -6.108 3.796 -0.035 463 H ASP 59 H ASP 59 -8.736 6.871 -4.831 464 HA ASP 59 HA ASP 59 -10.201 9.307 -4.610 465 HB2 ASP 59 2HB ASP 59 -8.390 9.023 -6.275 466 HB3 ASP 59 1HB ASP 59 -9.335 7.792 -7.110 467 H ASN 60 H ASN 60 -11.001 6.131 -6.002 468 HA ASN 60 HA ASN 60 -13.703 6.864 -6.737 469 HB2 ASN 60 2HB ASN 60 -12.206 4.219 -6.738 470 HB3 ASN 60 1HB ASN 60 -13.920 4.318 -7.133 471 HD21 ASN 60 1HD2 ASN 60 -13.437 3.490 -9.191 472 HD22 ASN 60 2HD2 ASN 60 -12.746 4.487 -10.420 473 H SER 61 H SER 61 -12.256 6.078 -3.775 474 HA SER 61 HA SER 61 -13.078 5.961 -1.673 475 HB2 SER 61 2HB SER 61 -14.542 7.848 -2.453 476 HB3 SER 61 1HB SER 61 -15.770 6.677 -2.930 477 HG SER 61 HG SER 61 -16.329 6.434 -0.911 478 H GLU 62 H GLU 62 -12.794 3.594 -3.090 479 HA GLU 62 HA GLU 62 -15.067 1.838 -2.709 480 HB2 GLU 62 2HB GLU 62 -12.233 1.308 -3.668 481 HB3 GLU 62 1HB GLU 62 -13.511 0.096 -3.644 482 HG2 GLU 62 2HG GLU 62 -13.569 2.670 -5.248 483 HG3 GLU 62 1HG GLU 62 -13.161 1.088 -5.903 484 H TYR 63 H TYR 63 -13.937 3.053 -0.338 485 HA TYR 63 HA TYR 63 -14.411 2.565 1.779 486 HB2 TYR 63 2HB TYR 63 -14.492 -0.336 0.905 487 HB3 TYR 63 1HB TYR 63 -14.762 0.162 2.570 488 HD1 TYR 63 HD1 TYR 63 -16.856 1.243 3.215 489 HD2 TYR 63 HD2 TYR 63 -16.166 0.186 -0.859 490 HE1 TYR 63 HE1 TYR 63 -19.229 1.604 2.718 491 HE2 TYR 63 HE2 TYR 63 -18.532 0.548 -1.358 492 HH TYR 63 HH TYR 63 -20.595 2.181 0.678 493 H LEU 64 H LEU 64 -13.283 2.067 3.678 494 HA LEU 64 HA LEU 64 -10.430 2.406 3.159 495 HB2 LEU 64 2HB LEU 64 -12.131 3.216 5.495 496 HB3 LEU 64 1HB LEU 64 -10.549 2.661 5.929 497 HG LEU 64 HG LEU 64 -10.587 5.061 5.914 498 HD11 LEU 64 1HD1 LEU 64 -8.507 3.881 5.158 499 HD12 LEU 64 2HD1 LEU 64 -8.644 5.577 4.740 500 HD13 LEU 64 3HD1 LEU 64 -8.908 4.364 3.504 501 HD21 LEU 64 1HD2 LEU 64 -12.403 5.581 4.343 502 HD22 LEU 64 2HD2 LEU 64 -11.363 5.157 2.973 503 HD23 LEU 64 3HD2 LEU 64 -10.956 6.510 4.011 504 HA PRO 65 HA PRO 65 -10.169 -1.527 5.979 505 HB2 PRO 65 2HB PRO 65 -12.375 -3.025 6.511 506 HB3 PRO 65 1HB PRO 65 -11.989 -1.585 7.481 507 HG2 PRO 65 2HG PRO 65 -13.935 -1.837 5.197 508 HG3 PRO 65 1HG PRO 65 -14.172 -1.082 6.793 509 HD2 PRO 65 2HD PRO 65 -13.558 0.383 4.580 510 HD3 PRO 65 1HD PRO 65 -13.021 0.855 6.205 511 H LYS 66 H LYS 66 -12.140 -1.238 3.149 512 HA LYS 66 HA LYS 66 -11.905 -3.942 2.202 513 HB2 LYS 66 2HB LYS 66 -13.815 -2.450 1.612 514 HB3 LYS 66 1HB LYS 66 -12.742 -1.420 0.685 515 HG2 LYS 66 2HG LYS 66 -13.102 -4.350 0.010 516 HG3 LYS 66 1HG LYS 66 -14.248 -3.134 -0.549 517 HD2 LYS 66 2HD LYS 66 -12.331 -1.948 -1.693 518 HD3 LYS 66 1HD LYS 66 -11.279 -3.285 -1.221 519 HE2 LYS 66 2HE LYS 66 -13.718 -3.473 -3.016 520 HE3 LYS 66 1HE LYS 66 -12.033 -3.562 -3.532 521 HZ1 LYS 66 1HZ LYS 66 -13.469 -5.501 -1.808 522 HZ2 LYS 66 2HZ LYS 66 -11.815 -5.568 -2.126 523 HZ3 LYS 66 3HZ LYS 66 -12.922 -5.755 -3.384 524 H ILE 67 H ILE 67 -10.296 -0.824 1.558 525 HA ILE 67 HA ILE 67 -8.493 -1.949 -0.415 526 HB ILE 67 HB ILE 67 -8.460 0.775 0.945 527 HG12 ILE 67 2HG1 ILE 67 -9.575 -0.073 -1.756 528 HG13 ILE 67 1HG1 ILE 67 -10.545 0.241 -0.334 529 HG21 ILE 67 1HG2 ILE 67 -6.240 0.252 -0.011 530 HG22 ILE 67 2HG2 ILE 67 -7.031 1.517 -0.953 531 HG23 ILE 67 3HG2 ILE 67 -6.989 -0.138 -1.560 532 HD11 ILE 67 1HD1 ILE 67 -10.571 2.091 -1.913 533 HD12 ILE 67 2HD1 ILE 67 -8.832 2.294 -1.709 534 HD13 ILE 67 3HD1 ILE 67 -9.920 2.551 -0.345 535 H ILE 68 H ILE 68 -8.390 -1.215 3.042 536 HA ILE 68 HA ILE 68 -5.644 -1.745 3.491 537 HB ILE 68 HB ILE 68 -8.078 -1.881 5.281 538 HG12 ILE 68 2HG1 ILE 68 -5.601 -0.091 5.413 539 HG13 ILE 68 1HG1 ILE 68 -7.108 0.364 4.629 540 HG21 ILE 68 1HG2 ILE 68 -6.700 -3.662 6.168 541 HG22 ILE 68 2HG2 ILE 68 -6.566 -2.279 7.255 542 HG23 ILE 68 3HG2 ILE 68 -5.263 -2.647 6.123 543 HD11 ILE 68 1HD1 ILE 68 -8.212 0.020 6.865 544 HD12 ILE 68 2HD1 ILE 68 -7.132 1.399 6.708 545 HD13 ILE 68 3HD1 ILE 68 -6.589 -0.052 7.554 546 H LEU 69 H LEU 69 -8.534 -3.843 3.429 547 HA LEU 69 HA LEU 69 -7.286 -6.302 4.009 548 HB2 LEU 69 2HB LEU 69 -9.747 -5.955 4.029 549 HB3 LEU 69 1HB LEU 69 -9.715 -5.759 2.283 550 HG LEU 69 HG LEU 69 -8.984 -8.125 1.964 551 HD11 LEU 69 1HD1 LEU 69 -7.704 -8.474 4.014 552 HD12 LEU 69 2HD1 LEU 69 -8.870 -9.760 3.746 553 HD13 LEU 69 3HD1 LEU 69 -9.195 -8.528 4.963 554 HD21 LEU 69 1HD2 LEU 69 -11.423 -7.796 1.920 555 HD22 LEU 69 2HD2 LEU 69 -11.511 -8.062 3.667 556 HD23 LEU 69 3HD2 LEU 69 -11.002 -9.362 2.596 557 H ASN 70 H ASN 70 -8.027 -4.717 0.922 558 HA ASN 70 HA ASN 70 -7.173 -6.789 -0.787 559 HB2 ASN 70 2HB ASN 70 -8.763 -5.172 -1.602 560 HB3 ASN 70 1HB ASN 70 -7.696 -3.818 -1.277 561 HD21 ASN 70 1HD2 ASN 70 -6.042 -3.342 -2.749 562 HD22 ASN 70 2HD2 ASN 70 -5.945 -4.091 -4.304 563 H LEU 71 H LEU 71 -5.486 -3.955 0.512 564 HA LEU 71 HA LEU 71 -3.136 -4.273 -1.089 565 HB2 LEU 71 2HB LEU 71 -3.901 -2.069 -0.254 566 HB3 LEU 71 1HB LEU 71 -3.706 -2.600 1.386 567 HG LEU 71 HG LEU 71 -2.004 -0.907 0.462 568 HD11 LEU 71 1HD1 LEU 71 -0.128 -1.772 1.744 569 HD12 LEU 71 2HD1 LEU 71 -0.873 -3.371 1.796 570 HD13 LEU 71 3HD1 LEU 71 -1.653 -2.006 2.598 571 HD21 LEU 71 1HD2 LEU 71 -0.106 -1.642 -0.796 572 HD22 LEU 71 2HD2 LEU 71 -1.546 -2.046 -1.719 573 HD23 LEU 71 3HD2 LEU 71 -0.672 -3.309 -0.834 574 H ARG 72 H ARG 72 -4.244 -5.255 2.105 575 HA ARG 72 HA ARG 72 -1.744 -6.369 2.990 576 HB2 ARG 72 2HB ARG 72 -3.543 -5.651 4.602 577 HB3 ARG 72 1HB ARG 72 -4.547 -6.992 4.086 578 HG2 ARG 72 2HG ARG 72 -2.898 -8.590 4.930 579 HG3 ARG 72 1HG ARG 72 -1.821 -7.264 5.375 580 HD2 ARG 72 2HD ARG 72 -3.518 -6.427 6.966 581 HD3 ARG 72 1HD ARG 72 -4.586 -7.764 6.530 582 HE ARG 72 HE ARG 72 -2.118 -8.829 7.356 583 HH11 ARG 72 1HH1 ARG 72 -4.874 -7.157 8.778 584 HH12 ARG 72 2HH1 ARG 72 -4.643 -7.867 10.342 585 HH21 ARG 72 1HH2 ARG 72 -1.818 -9.725 9.416 586 HH22 ARG 72 2HH2 ARG 72 -2.910 -9.322 10.701 587 H LYS 73 H LYS 73 -4.394 -7.546 0.960 588 HA LYS 73 HA LYS 73 -3.553 -10.341 1.159 589 HB2 LYS 73 2HB LYS 73 -5.780 -8.987 -0.410 590 HB3 LYS 73 1HB LYS 73 -5.394 -10.700 -0.583 591 HG2 LYS 73 2HG LYS 73 -6.318 -9.322 1.961 592 HG3 LYS 73 1HG LYS 73 -7.281 -10.390 0.935 593 HD2 LYS 73 2HD LYS 73 -5.619 -12.242 1.435 594 HD3 LYS 73 1HD LYS 73 -4.833 -11.160 2.590 595 HE2 LYS 73 2HE LYS 73 -6.353 -12.695 3.751 596 HE3 LYS 73 1HE LYS 73 -6.945 -11.039 3.886 597 HZ1 LYS 73 1HZ LYS 73 -8.549 -11.473 2.185 598 HZ2 LYS 73 2HZ LYS 73 -8.690 -12.665 3.369 599 HZ3 LYS 73 3HZ LYS 73 -7.927 -13.016 1.905 600 H ALA 74 H ALA 74 -2.976 -7.565 -0.789 601 HA ALA 74 HA ALA 74 -1.707 -8.988 -2.957 602 HB1 ALA 74 1HB ALA 74 -0.959 -6.732 -3.669 603 HB2 ALA 74 2HB ALA 74 -1.606 -6.057 -2.171 604 HB3 ALA 74 3HB ALA 74 -2.695 -6.785 -3.348 605 H LEU 75 H LEU 75 -0.605 -7.397 0.094 606 HA LEU 75 HA LEU 75 2.180 -7.778 -0.639 607 HB2 LEU 75 2HB LEU 75 1.088 -6.589 1.928 608 HB3 LEU 75 1HB LEU 75 2.783 -6.641 1.484 609 HG LEU 75 HG LEU 75 0.595 -4.884 0.322 610 HD11 LEU 75 1HD1 LEU 75 3.207 -4.210 1.684 611 HD12 LEU 75 2HD1 LEU 75 1.579 -4.030 2.341 612 HD13 LEU 75 3HD1 LEU 75 2.083 -3.045 0.977 613 HD21 LEU 75 1HD2 LEU 75 3.348 -5.327 -0.873 614 HD22 LEU 75 2HD2 LEU 75 2.351 -3.917 -1.198 615 HD23 LEU 75 3HD2 LEU 75 1.774 -5.502 -1.665 616 H THR 76 H THR 76 -0.078 -9.354 1.582 617 HA THR 76 HA THR 76 1.862 -10.536 3.238 618 HB THR 76 HB THR 76 -1.004 -11.401 2.776 619 HG1 THR 76 HG1 THR 76 -1.367 -9.861 4.125 620 HG21 THR 76 1HG2 THR 76 -0.832 -12.713 4.868 621 HG22 THR 76 2HG2 THR 76 0.900 -12.388 4.938 622 HG23 THR 76 3HG2 THR 76 0.241 -13.367 3.628 623 HA PRO 77 HA PRO 77 1.732 -14.598 0.436 624 HB2 PRO 77 2HB PRO 77 1.325 -13.379 -2.282 625 HB3 PRO 77 1HB PRO 77 0.719 -14.917 -1.635 626 HG2 PRO 77 2HG PRO 77 -0.940 -12.870 -1.952 627 HG3 PRO 77 1HG PRO 77 -1.053 -13.911 -0.512 628 HD2 PRO 77 2HD PRO 77 0.204 -11.178 -0.754 629 HD3 PRO 77 1HD PRO 77 -0.861 -11.815 0.507 630 H LEU 78 H LEU 78 2.749 -11.540 -1.114 631 HA LEU 78 HA LEU 78 5.260 -12.442 -2.065 632 HB2 LEU 78 2HB LEU 78 4.677 -9.550 -1.293 633 HB3 LEU 78 1HB LEU 78 5.902 -10.118 -2.416 634 HG LEU 78 HG LEU 78 2.878 -10.108 -2.888 635 HD11 LEU 78 1HD1 LEU 78 3.277 -8.453 -4.609 636 HD12 LEU 78 2HD1 LEU 78 5.009 -8.472 -4.291 637 HD13 LEU 78 3HD1 LEU 78 3.889 -7.868 -3.067 638 HD21 LEU 78 1HD2 LEU 78 3.353 -10.821 -5.223 639 HD22 LEU 78 2HD2 LEU 78 3.779 -12.060 -4.061 640 HD23 LEU 78 3HD2 LEU 78 5.047 -11.085 -4.803 641 H ALA 79 H ALA 79 4.191 -11.207 1.007 642 HA ALA 79 HA ALA 79 6.715 -10.688 2.211 643 HB1 ALA 79 1HB ALA 79 5.456 -10.616 4.334 644 HB2 ALA 79 2HB ALA 79 4.033 -11.264 3.515 645 HB3 ALA 79 3HB ALA 79 4.654 -9.672 3.077 646 H ILE 80 H ILE 80 4.515 -13.491 2.158 647 HA ILE 80 HA ILE 80 5.957 -15.102 4.024 648 HB ILE 80 HB ILE 80 3.971 -15.970 1.866 649 HG12 ILE 80 2HG1 ILE 80 3.460 -15.423 4.841 650 HG13 ILE 80 1HG1 ILE 80 3.013 -14.352 3.526 651 HG21 ILE 80 1HG2 ILE 80 3.666 -18.056 3.203 652 HG22 ILE 80 2HG2 ILE 80 4.975 -17.548 4.275 653 HG23 ILE 80 3HG2 ILE 80 5.311 -17.899 2.580 654 HD11 ILE 80 1HD1 ILE 80 1.913 -17.124 3.969 655 HD12 ILE 80 2HD1 ILE 80 1.468 -16.026 2.660 656 HD13 ILE 80 3HD1 ILE 80 1.102 -15.599 4.331 657 H ASN 81 H ASN 81 6.030 -14.806 0.473 658 HA ASN 81 HA ASN 81 8.147 -16.757 0.138 659 HB2 ASN 81 2HB ASN 81 6.513 -16.255 -1.680 660 HB3 ASN 81 1HB ASN 81 7.189 -14.634 -1.819 661 HD21 ASN 81 1HD2 ASN 81 7.588 -15.203 -4.054 662 HD22 ASN 81 2HD2 ASN 81 8.978 -16.127 -4.489 663 H ARG 82 H ARG 82 7.998 -13.424 1.070 664 HA ARG 82 HA ARG 82 9.511 -11.890 1.701 665 HB2 ARG 82 2HB ARG 82 11.447 -14.258 1.797 666 HB3 ARG 82 1HB ARG 82 11.831 -12.663 2.424 667 HG2 ARG 82 2HG ARG 82 10.014 -12.896 4.107 668 HG3 ARG 82 1HG ARG 82 9.648 -14.508 3.485 669 HD2 ARG 82 2HD ARG 82 11.871 -15.301 4.164 670 HD3 ARG 82 1HD ARG 82 12.311 -13.678 4.713 671 HE ARG 82 HE ARG 82 9.967 -14.920 5.947 672 HH11 ARG 82 1HH1 ARG 82 13.386 -14.142 6.276 673 HH12 ARG 82 2HH1 ARG 82 13.391 -14.361 7.996 674 HH21 ARG 82 1HH2 ARG 82 9.990 -15.187 8.200 675 HH22 ARG 82 2HH2 ARG 82 11.463 -14.955 9.085 676 H THR 83 H THR 83 9.021 -11.416 -0.776 677 HA THR 83 HA THR 83 11.653 -11.012 -2.119 678 HB THR 83 HB THR 83 10.012 -12.609 -3.317 679 HG1 THR 83 HG1 THR 83 11.415 -10.458 -4.383 680 HG21 THR 83 1HG2 THR 83 8.269 -11.557 -4.720 681 HG22 THR 83 2HG2 THR 83 8.588 -9.997 -3.967 682 HG23 THR 83 3HG2 THR 83 7.928 -11.317 -3.008 683 H LEU 84 H LEU 84 9.039 -9.459 -0.612 684 HA LEU 84 HA LEU 84 8.791 -7.096 -2.227 685 HB2 LEU 84 2HB LEU 84 7.094 -8.067 -0.547 686 HB3 LEU 84 1HB LEU 84 8.102 -7.427 0.730 687 HG LEU 84 HG LEU 84 6.750 -5.660 -1.363 688 HD11 LEU 84 1HD1 LEU 84 5.039 -6.901 -0.158 689 HD12 LEU 84 2HD1 LEU 84 5.003 -5.205 0.313 690 HD13 LEU 84 3HD1 LEU 84 5.722 -6.407 1.391 691 HD21 LEU 84 1HD2 LEU 84 7.887 -4.932 1.369 692 HD22 LEU 84 2HD2 LEU 84 7.039 -3.832 0.277 693 HD23 LEU 84 3HD2 LEU 84 8.595 -4.508 -0.190 694 H ASN 85 H ASN 85 10.122 -5.427 -2.273 695 HA ASN 85 HA ASN 85 12.708 -5.214 -1.573 696 HB2 ASN 85 2HB ASN 85 11.649 -3.494 -2.995 697 HB3 ASN 85 1HB ASN 85 10.825 -2.804 -1.600 698 HD21 ASN 85 1HD2 ASN 85 11.769 -0.778 -2.114 699 HD22 ASN 85 2HD2 ASN 85 13.424 -0.437 -1.772 700 H HIS 86 H HIS 86 10.133 -4.456 0.718 701 HA HIS 86 HA HIS 86 10.030 -4.643 2.965 702 HB2 HIS 86 2HB HIS 86 11.860 -6.365 2.799 703 HB3 HIS 86 1HB HIS 86 13.045 -5.083 2.996 704 HD1 HIS 86 HD1 HIS 86 10.312 -6.891 4.905 705 HD2 HIS 86 HD2 HIS 86 13.568 -4.408 5.657 706 HE1 HIS 86 HE1 HIS 86 10.639 -6.924 7.398 707 HE2 HIS 86 HE2 HIS 86 12.558 -5.359 7.825 708 H ASP 87 H ASP 87 11.598 -2.292 1.288 709 HA ASP 87 HA ASP 87 12.533 -0.597 3.384 710 HB2 ASP 87 2HB ASP 87 13.631 -0.382 1.260 711 HB3 ASP 87 1HB ASP 87 12.127 -0.147 0.385 712 H LEU 88 H LEU 88 9.303 -1.267 2.313 713 HA LEU 88 HA LEU 88 8.332 1.058 3.861 714 HB2 LEU 88 2HB LEU 88 6.315 1.214 2.445 715 HB3 LEU 88 1HB LEU 88 7.785 1.651 1.604 716 HG LEU 88 HG LEU 88 6.831 -1.185 1.203 717 HD11 LEU 88 1HD1 LEU 88 5.206 -0.524 -0.535 718 HD12 LEU 88 2HD1 LEU 88 5.410 1.169 -0.085 719 HD13 LEU 88 3HD1 LEU 88 4.713 0.028 1.066 720 HD21 LEU 88 1HD2 LEU 88 8.881 -0.333 0.080 721 HD22 LEU 88 2HD2 LEU 88 7.921 0.884 -0.747 722 HD23 LEU 88 3HD2 LEU 88 7.653 -0.827 -1.080 723 H SER 89 H SER 89 8.905 -1.648 4.731 724 HA SER 89 HA SER 89 6.538 -3.143 5.112 725 HB2 SER 89 2HB SER 89 8.979 -2.973 6.912 726 HB3 SER 89 1HB SER 89 7.742 -4.236 6.972 727 HG SER 89 HG SER 89 9.858 -3.998 5.342 728 H GLU 90 H GLU 90 7.748 -0.266 6.596 729 HA GLU 90 HA GLU 90 6.323 0.112 8.904 730 HB2 GLU 90 2HB GLU 90 6.615 2.482 8.567 731 HB3 GLU 90 1HB GLU 90 8.023 1.687 7.876 732 HG2 GLU 90 2HG GLU 90 7.009 1.976 5.588 733 HG3 GLU 90 1HG GLU 90 5.670 2.845 6.325 734 H LEU 91 H LEU 91 5.138 0.372 5.572 735 HA LEU 91 HA LEU 91 2.594 1.532 6.134 736 HB2 LEU 91 2HB LEU 91 3.608 1.758 3.935 737 HB3 LEU 91 1HB LEU 91 3.651 0.020 3.718 738 HG LEU 91 HG LEU 91 1.149 -0.026 3.620 739 HD11 LEU 91 1HD1 LEU 91 -0.136 2.061 3.412 740 HD12 LEU 91 2HD1 LEU 91 1.316 2.998 3.778 741 HD13 LEU 91 3HD1 LEU 91 0.632 1.915 4.992 742 HD21 LEU 91 1HD2 LEU 91 2.417 1.861 1.611 743 HD22 LEU 91 2HD2 LEU 91 0.898 0.986 1.394 744 HD23 LEU 91 3HD2 LEU 91 2.413 0.098 1.532 745 H TYR 92 H TYR 92 3.707 -1.791 5.517 746 HA TYR 92 HA TYR 92 1.246 -3.125 5.652 747 HB2 TYR 92 2HB TYR 92 3.270 -4.163 4.715 748 HB3 TYR 92 1HB TYR 92 4.032 -4.148 6.304 749 HD1 TYR 92 HD1 TYR 92 4.316 -6.389 6.991 750 HD2 TYR 92 HD2 TYR 92 0.594 -5.286 5.181 751 HE1 TYR 92 HE1 TYR 92 3.427 -8.638 7.423 752 HE2 TYR 92 HE2 TYR 92 -0.278 -7.528 5.608 753 HH TYR 92 HH TYR 92 0.558 -9.799 6.006 754 H LYS 93 H LYS 93 3.521 -2.070 8.109 755 HA LYS 93 HA LYS 93 2.210 -3.474 10.313 756 HB2 LYS 93 2HB LYS 93 4.728 -1.857 10.030 757 HB3 LYS 93 1HB LYS 93 3.986 -1.881 11.621 758 HG2 LYS 93 2HG LYS 93 4.914 -4.335 10.073 759 HG3 LYS 93 1HG LYS 93 5.754 -3.571 11.426 760 HD2 LYS 93 2HD LYS 93 3.776 -4.083 12.890 761 HD3 LYS 93 1HD LYS 93 3.016 -4.927 11.535 762 HE2 LYS 93 2HE LYS 93 4.948 -6.502 11.486 763 HE3 LYS 93 1HE LYS 93 5.633 -5.682 12.889 764 HZ1 LYS 93 1HZ LYS 93 3.699 -6.329 14.169 765 HZ2 LYS 93 2HZ LYS 93 4.437 -7.690 13.494 766 HZ3 LYS 93 3HZ LYS 93 3.017 -7.080 12.819 767 H PHE 94 H PHE 94 2.143 -0.317 8.823 768 HA PHE 94 HA PHE 94 0.973 1.124 10.986 769 HB2 PHE 94 2HB PHE 94 2.089 2.393 9.260 770 HB3 PHE 94 1HB PHE 94 1.082 1.691 8.000 771 HD1 PHE 94 HD1 PHE 94 -0.749 2.966 7.199 772 HD2 PHE 94 HD2 PHE 94 0.761 3.797 11.130 773 HE1 PHE 94 HE1 PHE 94 -2.304 4.849 7.416 774 HE2 PHE 94 HE2 PHE 94 -0.805 5.684 11.319 775 HZ PHE 94 HZ PHE 94 -2.331 6.216 9.462 776 H ILE 95 H ILE 95 -0.390 -0.613 8.170 777 HA ILE 95 HA ILE 95 -3.102 0.108 8.807 778 HB ILE 95 HB ILE 95 -3.852 -1.254 7.022 779 HG12 ILE 95 2HG1 ILE 95 -1.257 -2.825 7.237 780 HG13 ILE 95 1HG1 ILE 95 -2.908 -3.404 7.232 781 HG21 ILE 95 1HG2 ILE 95 -2.542 -0.429 5.108 782 HG22 ILE 95 2HG2 ILE 95 -1.191 -0.063 6.184 783 HG23 ILE 95 3HG2 ILE 95 -2.713 0.801 6.362 784 HD11 ILE 95 1HD1 ILE 95 -3.099 -2.934 4.866 785 HD12 ILE 95 2HD1 ILE 95 -1.741 -4.008 5.202 786 HD13 ILE 95 3HD1 ILE 95 -1.447 -2.312 4.838 787 H THR 96 H THR 96 -1.017 -1.996 10.389 788 HA THR 96 HA THR 96 -3.262 -3.480 11.649 789 HB THR 96 HB THR 96 -1.425 -5.066 12.498 790 HG1 THR 96 HG1 THR 96 0.311 -3.542 11.912 791 HG21 THR 96 1HG2 THR 96 -1.345 -6.426 10.491 792 HG22 THR 96 2HG2 THR 96 -1.727 -5.036 9.488 793 HG23 THR 96 3HG2 THR 96 -2.942 -5.672 10.594 794 H SER 97 H SER 97 -1.740 -0.718 12.120 795 HA SER 97 HA SER 97 -0.716 -0.964 14.802 796 HB2 SER 97 2HB SER 97 0.158 0.762 13.268 797 HB3 SER 97 1HB SER 97 -1.432 1.509 13.182 798 HG SER 97 HG SER 97 0.443 1.509 15.254 799 H SER 98 H SER 98 -1.641 0.619 16.511 800 HA SER 98 HA SER 98 -4.056 -0.456 17.445 801 HB2 SER 98 2HB SER 98 -3.831 1.323 19.254 802 HB3 SER 98 1HB SER 98 -2.394 0.332 19.006 803 HG SER 98 HG SER 98 -2.487 2.919 18.987 804 H LYS 99 H LYS 99 -3.522 2.328 15.439 805 HA LYS 99 HA LYS 99 -5.835 3.867 15.928 806 HB2 LYS 99 2HB LYS 99 -4.396 3.569 13.249 807 HB3 LYS 99 1HB LYS 99 -5.391 4.926 13.759 808 HG2 LYS 99 2HG LYS 99 -2.757 4.152 15.065 809 HG3 LYS 99 1HG LYS 99 -2.916 5.359 13.786 810 HD2 LYS 99 2HD LYS 99 -4.292 5.522 16.499 811 HD3 LYS 99 1HD LYS 99 -2.781 6.338 16.088 812 HE2 LYS 99 2HE LYS 99 -5.470 6.812 14.747 813 HE3 LYS 99 1HE LYS 99 -4.702 7.874 15.927 814 HZ1 LYS 99 1HZ LYS 99 -4.364 8.663 13.684 815 HZ2 LYS 99 2HZ LYS 99 -3.627 7.209 13.237 816 HZ3 LYS 99 3HZ LYS 99 -2.884 8.218 14.371 817 H ALA 100 H ALA 100 -5.203 1.183 13.716 818 HA ALA 100 HA ALA 100 -7.910 1.135 12.613 819 HB1 ALA 100 1HB ALA 100 -5.467 -0.572 11.993 820 HB2 ALA 100 2HB ALA 100 -5.991 0.844 11.084 821 HB3 ALA 100 3HB ALA 100 -6.993 -0.612 11.103 822 H SER 101 H SER 101 -5.849 -0.700 14.823 823 HA SER 101 HA SER 101 -7.449 -3.122 14.604 824 HB2 SER 101 2HB SER 101 -4.904 -2.589 16.177 825 HB3 SER 101 1HB SER 101 -5.646 -4.170 15.910 826 HG SER 101 HG SER 101 -4.419 -2.448 14.031 827 H ASN 102 H ASN 102 -6.284 -1.093 17.358 828 HA ASN 102 HA ASN 102 -7.799 -2.454 19.349 829 HB2 ASN 102 2HB ASN 102 -6.500 0.303 19.380 830 HB3 ASN 102 1HB ASN 102 -7.293 -0.397 20.789 831 HD21 ASN 102 1HD2 ASN 102 -5.370 -0.312 21.950 832 HD22 ASN 102 2HD2 ASN 102 -4.077 -1.421 21.662 833 H LYS 103 H LYS 103 -8.259 0.726 17.816 834 HA LYS 103 HA LYS 103 -10.954 1.046 18.863 835 HB2 LYS 103 2HB LYS 103 -9.457 2.697 16.774 836 HB3 LYS 103 1HB LYS 103 -10.950 3.161 17.593 837 HG2 LYS 103 2HG LYS 103 -9.707 3.211 19.758 838 HG3 LYS 103 1HG LYS 103 -8.216 2.831 18.886 839 HD2 LYS 103 2HD LYS 103 -9.936 5.324 18.519 840 HD3 LYS 103 1HD LYS 103 -8.375 5.248 19.339 841 HE2 LYS 103 2HE LYS 103 -7.258 4.681 17.231 842 HE3 LYS 103 1HE LYS 103 -8.810 4.626 16.391 843 HZ1 LYS 103 1HZ LYS 103 -7.706 6.699 15.975 844 HZ2 LYS 103 2HZ LYS 103 -7.578 7.024 17.628 845 HZ3 LYS 103 3HZ LYS 103 -9.095 6.980 16.891 846 H ASN 104 H ASN 104 -12.829 1.362 17.388 847 HA ASN 104 HA ASN 104 -13.092 -0.339 15.124 848 HB2 ASN 104 2HB ASN 104 -14.644 2.164 15.940 849 HB3 ASN 104 1HB ASN 104 -15.071 1.203 14.530 850 HD21 ASN 104 1HD2 ASN 104 -15.861 -0.904 14.832 851 HD22 ASN 104 2HD2 ASN 104 -16.556 -1.388 16.339 852 H LEU 105 H LEU 105 -12.729 0.065 12.978 853 HA LEU 105 HA LEU 105 -10.546 1.598 12.311 854 HB2 LEU 105 2HB LEU 105 -10.813 -0.220 10.881 855 HB3 LEU 105 1HB LEU 105 -12.544 -0.094 10.855 856 HG LEU 105 HG LEU 105 -11.465 0.020 8.610 857 HD11 LEU 105 1HD1 LEU 105 -13.706 0.919 8.894 858 HD12 LEU 105 2HD1 LEU 105 -12.815 1.786 7.649 859 HD13 LEU 105 3HD1 LEU 105 -13.050 2.520 9.237 860 HD21 LEU 105 1HD2 LEU 105 -9.433 1.329 9.145 861 HD22 LEU 105 2HD2 LEU 105 -10.419 2.783 9.298 862 HD23 LEU 105 3HD2 LEU 105 -10.314 1.949 7.758 863 H GLY 106 H GLY 106 -13.965 2.417 12.000 864 HA2 GLY 106 2HA GLY 106 -14.719 4.662 12.306 865 HA3 GLY 106 1HA GLY 106 -13.241 5.254 11.566 866 H GLY 107 H GLY 107 -16.349 3.712 10.966 867 HA2 GLY 107 2HA GLY 107 -17.821 4.159 9.218 868 HA3 GLY 107 1HA GLY 107 -16.538 4.970 8.332 869 H GLY 108 H GLY 108 -16.642 1.734 9.760 870 HA2 GLY 108 2HA GLY 108 -17.074 0.178 7.472 871 HA3 GLY 108 1HA GLY 108 -15.333 0.449 7.606 872 H LEU 109 H LEU 109 -18.175 -0.631 9.412 873 HA LEU 109 HA LEU 109 -16.827 -1.616 11.698 874 HB2 LEU 109 2HB LEU 109 -19.263 -0.981 11.601 875 HB3 LEU 109 1HB LEU 109 -19.570 -2.438 10.669 876 HG LEU 109 HG LEU 109 -18.744 -3.816 12.630 877 HD11 LEU 109 1HD1 LEU 109 -18.725 -1.177 14.124 878 HD12 LEU 109 2HD1 LEU 109 -17.315 -2.153 13.708 879 HD13 LEU 109 3HD1 LEU 109 -18.512 -2.780 14.838 880 HD21 LEU 109 1HD2 LEU 109 -21.098 -2.003 13.218 881 HD22 LEU 109 2HD2 LEU 109 -20.756 -3.544 14.013 882 HD23 LEU 109 3HD2 LEU 109 -21.132 -3.505 12.292 883 H ILE 110 H ILE 110 -17.694 -3.024 8.637 884 HA ILE 110 HA ILE 110 -17.270 -4.925 7.555 885 HB ILE 110 HB ILE 110 -15.213 -5.284 9.764 886 HG12 ILE 110 2HG1 ILE 110 -14.690 -3.585 8.087 887 HG13 ILE 110 1HG1 ILE 110 -13.584 -4.939 7.889 888 HG21 ILE 110 1HG2 ILE 110 -15.588 -7.286 7.511 889 HG22 ILE 110 2HG2 ILE 110 -15.844 -7.586 9.229 890 HG23 ILE 110 3HG2 ILE 110 -14.221 -7.241 8.630 891 HD11 ILE 110 1HD1 ILE 110 -14.307 -4.111 5.748 892 HD12 ILE 110 2HD1 ILE 110 -15.999 -4.335 6.182 893 HD13 ILE 110 3HD1 ILE 110 -14.942 -5.738 5.993 894 H MET 111 H MET 111 -18.955 -6.234 7.449 895 HA MET 111 HA MET 111 -20.103 -7.474 9.841 896 HB2 MET 111 2HB MET 111 -21.057 -7.463 6.941 897 HB3 MET 111 1HB MET 111 -21.955 -8.111 8.309 898 HG2 MET 111 2HG MET 111 -21.199 -5.212 7.892 899 HG3 MET 111 1HG MET 111 -22.804 -5.916 7.687 900 HE1 MET 111 1HE MET 111 -22.835 -3.626 10.996 901 HE2 MET 111 2HE MET 111 -23.442 -3.747 9.342 902 HE3 MET 111 3HE MET 111 -21.737 -3.386 9.641 903 H SER 112 H SER 112 -18.170 -8.809 10.159 904 HA SER 112 HA SER 112 -18.339 -11.432 8.943 905 HB2 SER 112 2HB SER 112 -17.034 -10.084 7.234 906 HB3 SER 112 1HB SER 112 -15.793 -9.814 8.455 907 HG SER 112 HG SER 112 -16.533 -12.462 7.997 908 H TRP 113 H TRP 113 -18.231 -9.958 11.658 909 HA TRP 113 HA TRP 113 -16.546 -11.922 13.031 910 HB2 TRP 113 2HB TRP 113 -15.375 -10.258 14.419 911 HB3 TRP 113 1HB TRP 113 -15.015 -9.974 12.718 912 HD1 TRP 113 HD1 TRP 113 -16.312 -7.807 11.570 913 HE1 TRP 113 HE1 TRP 113 -17.082 -5.590 12.604 914 HE3 TRP 113 HE3 TRP 113 -16.224 -9.128 16.508 915 HZ2 TRP 113 HZ2 TRP 113 -17.561 -4.521 15.152 916 HZ3 TRP 113 HZ3 TRP 113 -16.851 -7.440 18.187 917 HH2 TRP 113 HH2 TRP 113 -17.507 -5.181 17.521 918 H GLY 114 H GLY 114 -16.805 -11.427 15.547 919 HA2 GLY 114 2HA GLY 114 -18.139 -11.124 17.398 920 HA3 GLY 114 1HA GLY 114 -19.356 -10.335 16.396 921 H ARG 115 H ARG 115 -21.212 -11.427 16.351 922 HA ARG 115 HA ARG 115 -21.357 -14.330 16.682 923 HB2 ARG 115 2HB ARG 115 -22.990 -12.914 17.871 924 HB3 ARG 115 1HB ARG 115 -23.519 -12.198 16.353 925 HG2 ARG 115 2HG ARG 115 -24.441 -14.373 15.634 926 HG3 ARG 115 1HG ARG 115 -23.861 -15.119 17.123 927 HD2 ARG 115 2HD ARG 115 -26.285 -14.621 17.204 928 HD3 ARG 115 1HD ARG 115 -25.383 -13.752 18.448 929 HE ARG 115 HE ARG 115 -25.611 -12.089 16.189 930 HH11 ARG 115 1HH1 ARG 115 -27.733 -13.450 18.654 931 HH12 ARG 115 2HH1 ARG 115 -28.868 -12.142 18.560 932 HH21 ARG 115 1HH2 ARG 115 -27.092 -10.377 16.113 933 HH22 ARG 115 2HH2 ARG 115 -28.507 -10.398 17.120 934 H LEU 116 H LEU 116 -21.374 -11.930 14.154 935 HA LEU 116 HA LEU 116 -22.567 -13.599 12.115 936 HB2 LEU 116 2HB LEU 116 -22.590 -11.026 12.234 937 HB3 LEU 116 1HB LEU 116 -20.930 -11.079 11.682 938 HG LEU 116 HG LEU 116 -23.275 -12.208 10.084 939 HD11 LEU 116 1HD1 LEU 116 -23.596 -9.826 10.364 940 HD12 LEU 116 2HD1 LEU 116 -23.153 -10.186 8.698 941 HD13 LEU 116 3HD1 LEU 116 -21.956 -9.504 9.803 942 HD21 LEU 116 1HD2 LEU 116 -20.433 -11.588 9.173 943 HD22 LEU 116 2HD2 LEU 116 -21.754 -12.121 8.129 944 HD23 LEU 116 3HD2 LEU 116 -21.134 -13.194 9.378 945 H PHE 117 H PHE 117 -21.479 -15.331 11.415 946 HA PHE 117 HA PHE 117 -18.718 -14.977 10.456 947 HB2 PHE 117 2HB PHE 117 -18.230 -17.376 11.039 948 HB3 PHE 117 1HB PHE 117 -18.436 -16.329 12.426 949 HD1 PHE 117 HD1 PHE 117 -19.589 -19.363 10.792 950 HD2 PHE 117 HD2 PHE 117 -20.596 -16.474 13.784 951 HE1 PHE 117 HE1 PHE 117 -21.180 -20.945 11.790 952 HE2 PHE 117 HE2 PHE 117 -22.193 -18.068 14.770 953 HZ PHE 117 HZ PHE 117 -22.482 -20.307 13.779 Start of MODEL 7 1 H1 MET 1 1H MET 1 16.870 6.420 -16.038 2 H2 MET 1 2H MET 1 16.560 5.252 -14.867 3 H3 MET 1 3H MET 1 17.844 5.042 -15.934 4 HA MET 1 HA MET 1 18.591 5.720 -13.746 5 HB2 MET 1 2HB MET 1 18.966 7.786 -15.951 6 HB3 MET 1 1HB MET 1 19.920 7.754 -14.474 7 HG2 MET 1 2HG MET 1 20.747 5.505 -15.082 8 HG3 MET 1 1HG MET 1 19.832 5.597 -16.589 9 HE1 MET 1 1HE MET 1 23.363 8.431 -15.595 10 HE2 MET 1 2HE MET 1 22.790 7.186 -14.491 11 HE3 MET 1 3HE MET 1 21.778 8.593 -14.835 12 H SER 2 H SER 2 18.935 7.869 -12.462 13 HA SER 2 HA SER 2 16.326 8.628 -11.465 14 HB2 SER 2 2HB SER 2 19.100 9.517 -10.545 15 HB3 SER 2 1HB SER 2 17.596 9.653 -9.635 16 HG SER 2 HG SER 2 17.614 7.192 -10.184 17 H GLY 3 H GLY 3 15.226 10.429 -11.992 18 HA2 GLY 3 2HA GLY 3 15.645 12.998 -12.089 19 HA3 GLY 3 1HA GLY 3 16.506 12.592 -13.571 20 H SER 4 H SER 4 13.669 10.745 -12.695 21 HA SER 4 HA SER 4 12.237 11.599 -15.025 22 HB2 SER 4 2HB SER 4 11.302 9.919 -12.649 23 HB3 SER 4 1HB SER 4 10.404 10.145 -14.154 24 HG SER 4 HG SER 4 12.419 9.298 -15.177 25 H HIS 5 H HIS 5 11.556 13.684 -15.056 26 HA HIS 5 HA HIS 5 10.706 15.191 -12.819 27 HB2 HIS 5 2HB HIS 5 11.470 16.282 -14.927 28 HB3 HIS 5 1HB HIS 5 10.030 15.699 -15.758 29 HD1 HIS 5 HD1 HIS 5 7.910 17.074 -15.494 30 HD2 HIS 5 HD2 HIS 5 10.899 18.259 -12.882 31 HE1 HIS 5 HE1 HIS 5 7.025 19.109 -14.348 32 HE2 HIS 5 HE2 HIS 5 8.944 19.921 -12.948 33 H HIS 6 H HIS 6 8.718 15.555 -11.964 34 HA HIS 6 HA HIS 6 6.236 14.702 -13.103 35 HB2 HIS 6 2HB HIS 6 5.689 12.919 -11.539 36 HB3 HIS 6 1HB HIS 6 7.231 12.514 -12.277 37 HD1 HIS 6 HD1 HIS 6 5.610 13.095 -9.030 38 HD2 HIS 6 HD2 HIS 6 9.496 12.833 -10.462 39 HE1 HIS 6 HE1 HIS 6 7.057 12.738 -7.015 40 HE2 HIS 6 HE2 HIS 6 9.342 12.352 -7.943 41 H HIS 7 H HIS 7 4.545 14.770 -11.175 42 HA HIS 7 HA HIS 7 4.767 17.365 -9.920 43 HB2 HIS 7 2HB HIS 7 2.654 16.501 -10.976 44 HB3 HIS 7 1HB HIS 7 2.535 15.303 -9.693 45 HD1 HIS 7 HD1 HIS 7 1.709 16.111 -7.396 46 HD2 HIS 7 HD2 HIS 7 2.074 19.158 -10.194 47 HE1 HIS 7 HE1 HIS 7 0.538 18.095 -6.399 48 HE2 HIS 7 HE2 HIS 7 0.721 19.891 -8.140 49 H HIS 8 H HIS 8 6.475 17.057 -8.483 50 HA HIS 8 HA HIS 8 6.193 15.225 -6.192 51 HB2 HIS 8 2HB HIS 8 8.508 15.921 -5.609 52 HB3 HIS 8 1HB HIS 8 8.405 15.306 -7.258 53 HD1 HIS 8 HD1 HIS 8 8.833 18.539 -5.346 54 HD2 HIS 8 HD2 HIS 8 9.097 17.124 -9.241 55 HE1 HIS 8 HE1 HIS 8 9.818 20.415 -6.685 56 HE2 HIS 8 HE2 HIS 8 10.209 19.420 -8.950 57 H HIS 9 H HIS 9 5.230 18.332 -6.957 58 HA HIS 9 HA HIS 9 5.623 19.643 -4.412 59 HB2 HIS 9 2HB HIS 9 5.396 20.898 -6.574 60 HB3 HIS 9 1HB HIS 9 3.753 20.306 -6.749 61 HD1 HIS 9 HD1 HIS 9 5.690 23.068 -5.352 62 HD2 HIS 9 HD2 HIS 9 1.912 21.442 -4.762 63 HE1 HIS 9 HE1 HIS 9 4.371 24.836 -4.157 64 HE2 HIS 9 HE2 HIS 9 2.185 23.735 -3.618 65 H HIS 10 H HIS 10 4.752 18.209 -2.850 66 HA HIS 10 HA HIS 10 2.184 16.971 -3.110 67 HB2 HIS 10 2HB HIS 10 4.028 15.983 -1.739 68 HB3 HIS 10 1HB HIS 10 3.864 17.305 -0.591 69 HD1 HIS 10 HD1 HIS 10 2.307 14.076 -1.617 70 HD2 HIS 10 HD2 HIS 10 1.544 17.123 1.085 71 HE1 HIS 10 HE1 HIS 10 0.632 13.141 -0.011 72 HE2 HIS 10 HE2 HIS 10 0.128 15.037 1.555 73 H SER 11 H SER 11 0.648 18.521 -3.455 74 HA SER 11 HA SER 11 0.090 20.714 -1.666 75 HB2 SER 11 2HB SER 11 -1.618 19.456 -3.858 76 HB3 SER 11 1HB SER 11 -1.895 21.030 -3.108 77 HG SER 11 HG SER 11 -0.170 21.856 -4.130 78 H SER 12 H SER 12 -2.626 20.636 -1.211 79 HA SER 12 HA SER 12 -2.867 18.801 0.989 80 HB2 SER 12 2HB SER 12 -4.910 20.728 -0.200 81 HB3 SER 12 1HB SER 12 -5.050 19.917 1.361 82 HG SER 12 HG SER 12 -4.119 21.691 2.025 83 H GLY 13 H GLY 13 -2.657 16.833 -0.293 84 HA2 GLY 13 2HA GLY 13 -4.624 15.897 -2.128 85 HA3 GLY 13 1HA GLY 13 -3.418 14.940 -1.287 86 H ILE 14 H ILE 14 -6.625 16.262 -1.152 87 HA ILE 14 HA ILE 14 -7.375 14.435 1.057 88 HB ILE 14 HB ILE 14 -7.877 17.449 0.998 89 HG12 ILE 14 2HG1 ILE 14 -6.834 15.570 3.174 90 HG13 ILE 14 1HG1 ILE 14 -5.894 16.746 2.280 91 HG21 ILE 14 1HG2 ILE 14 -10.113 16.478 1.300 92 HG22 ILE 14 2HG2 ILE 14 -9.575 17.212 2.808 93 HG23 ILE 14 3HG2 ILE 14 -9.532 15.458 2.617 94 HD11 ILE 14 1HD1 ILE 14 -8.063 17.384 4.270 95 HD12 ILE 14 2HD1 ILE 14 -7.108 18.557 3.358 96 HD13 ILE 14 3HD1 ILE 14 -6.320 17.492 4.517 97 H GLU 15 H GLU 15 -8.818 13.161 0.229 98 HA GLU 15 HA GLU 15 -11.026 14.205 -1.452 99 HB2 GLU 15 2HB GLU 15 -9.713 11.447 -1.611 100 HB3 GLU 15 1HB GLU 15 -11.195 11.888 -2.446 101 HG2 GLU 15 2HG GLU 15 -8.413 12.986 -2.960 102 HG3 GLU 15 1HG GLU 15 -9.383 11.980 -4.029 103 H GLY 16 H GLY 16 -10.351 13.578 1.568 104 HA2 GLY 16 2HA GLY 16 -12.628 12.021 2.408 105 HA3 GLY 16 1HA GLY 16 -11.624 13.066 3.406 106 H ARG 17 H ARG 17 -13.783 13.503 0.636 107 HA ARG 17 HA ARG 17 -14.753 16.088 1.671 108 HB2 ARG 17 2HB ARG 17 -14.952 14.776 -1.076 109 HB3 ARG 17 1HB ARG 17 -15.454 16.421 -0.689 110 HG2 ARG 17 2HG ARG 17 -13.230 17.183 -0.432 111 HG3 ARG 17 1HG ARG 17 -12.586 15.551 -0.230 112 HD2 ARG 17 2HD ARG 17 -11.973 16.496 -2.412 113 HD3 ARG 17 1HD ARG 17 -13.001 15.072 -2.599 114 HE ARG 17 HE ARG 17 -14.533 17.479 -2.614 115 HH11 ARG 17 1HH1 ARG 17 -12.432 15.533 -4.693 116 HH12 ARG 17 2HH1 ARG 17 -13.166 16.113 -6.155 117 HH21 ARG 17 1HH2 ARG 17 -15.476 18.203 -4.542 118 HH22 ARG 17 2HH2 ARG 17 -14.886 17.623 -6.067 119 H GLY 18 H GLY 18 -15.607 12.886 1.633 120 HA2 GLY 18 2HA GLY 18 -18.295 13.507 2.597 121 HA3 GLY 18 1HA GLY 18 -18.133 12.296 1.317 122 H ARG 19 H ARG 19 -16.552 13.170 4.375 123 HA ARG 19 HA ARG 19 -14.987 10.993 4.851 124 HB2 ARG 19 2HB ARG 19 -16.415 12.706 6.941 125 HB3 ARG 19 1HB ARG 19 -15.056 11.638 7.287 126 HG2 ARG 19 2HG ARG 19 -13.575 12.983 5.904 127 HG3 ARG 19 1HG ARG 19 -14.927 13.991 5.387 128 HD2 ARG 19 2HD ARG 19 -15.255 14.639 7.823 129 HD3 ARG 19 1HD ARG 19 -13.736 13.801 8.174 130 HE ARG 19 HE ARG 19 -13.511 15.757 6.076 131 HH11 ARG 19 1HH1 ARG 19 -13.426 15.374 9.578 132 HH12 ARG 19 2HH1 ARG 19 -12.486 16.811 9.831 133 HH21 ARG 19 1HH2 ARG 19 -12.264 17.631 6.415 134 HH22 ARG 19 2HH2 ARG 19 -11.827 18.090 8.032 135 H MET 20 H MET 20 -18.439 11.142 5.440 136 HA MET 20 HA MET 20 -18.854 9.168 7.345 137 HB2 MET 20 2HB MET 20 -20.596 9.791 4.932 138 HB3 MET 20 1HB MET 20 -21.115 8.851 6.325 139 HG2 MET 20 2HG MET 20 -20.335 11.774 6.341 140 HG3 MET 20 1HG MET 20 -21.972 11.132 6.442 141 HE1 MET 20 1HE MET 20 -21.474 8.608 8.494 142 HE2 MET 20 2HE MET 20 -22.857 9.703 8.586 143 HE3 MET 20 3HE MET 20 -21.874 9.401 10.016 144 H LYS 21 H LYS 21 -18.146 8.782 3.904 145 HA LYS 21 HA LYS 21 -17.577 5.936 4.266 146 HB2 LYS 21 2HB LYS 21 -19.003 5.325 2.241 147 HB3 LYS 21 1HB LYS 21 -19.881 5.716 3.712 148 HG2 LYS 21 2HG LYS 21 -20.271 8.031 2.792 149 HG3 LYS 21 1HG LYS 21 -19.550 7.493 1.270 150 HD2 LYS 21 2HD LYS 21 -21.315 5.809 0.987 151 HD3 LYS 21 1HD LYS 21 -21.996 6.208 2.569 152 HE2 LYS 21 2HE LYS 21 -23.325 7.229 0.780 153 HE3 LYS 21 1HE LYS 21 -22.546 8.484 1.744 154 HZ1 LYS 21 1HZ LYS 21 -20.843 8.658 0.010 155 HZ2 LYS 21 2HZ LYS 21 -22.383 8.997 -0.585 156 HZ3 LYS 21 3HZ LYS 21 -21.657 7.511 -0.922 157 H LYS 22 H LYS 22 -16.471 8.760 3.180 158 HA LYS 22 HA LYS 22 -14.886 7.618 0.980 159 HB2 LYS 22 2HB LYS 22 -16.711 8.837 -0.143 160 HB3 LYS 22 1HB LYS 22 -16.366 10.283 0.804 161 HG2 LYS 22 2HG LYS 22 -14.152 10.472 -0.284 162 HG3 LYS 22 1HG LYS 22 -14.482 9.025 -1.230 163 HD2 LYS 22 2HD LYS 22 -16.220 11.508 -1.396 164 HD3 LYS 22 1HD LYS 22 -14.784 11.297 -2.388 165 HE2 LYS 22 2HE LYS 22 -16.708 10.684 -3.693 166 HE3 LYS 22 1HE LYS 22 -15.799 9.216 -3.339 167 HZ1 LYS 22 1HZ LYS 22 -17.393 8.632 -1.668 168 HZ2 LYS 22 2HZ LYS 22 -18.224 8.974 -3.096 169 HZ3 LYS 22 3HZ LYS 22 -18.206 10.102 -1.840 170 H LYS 23 H LYS 23 -13.187 7.500 2.394 171 HA LYS 23 HA LYS 23 -11.248 8.007 3.321 172 HB2 LYS 23 2HB LYS 23 -11.546 10.329 1.446 173 HB3 LYS 23 1HB LYS 23 -10.231 10.378 2.609 174 HG2 LYS 23 2HG LYS 23 -9.319 9.493 0.605 175 HG3 LYS 23 1HG LYS 23 -9.458 8.145 1.728 176 HD2 LYS 23 2HD LYS 23 -10.127 7.382 -0.452 177 HD3 LYS 23 1HD LYS 23 -11.577 7.474 0.552 178 HE2 LYS 23 2HE LYS 23 -12.125 9.651 -0.497 179 HE3 LYS 23 1HE LYS 23 -10.693 9.497 -1.523 180 HZ1 LYS 23 1HZ LYS 23 -12.737 8.772 -2.612 181 HZ2 LYS 23 2HZ LYS 23 -12.930 7.548 -1.469 182 HZ3 LYS 23 3HZ LYS 23 -11.596 7.536 -2.508 183 H GLN 24 H GLN 24 -10.033 9.225 4.834 184 HA GLN 24 HA GLN 24 -11.559 10.943 6.710 185 HB2 GLN 24 2HB GLN 24 -9.935 8.441 7.450 186 HB3 GLN 24 1HB GLN 24 -10.678 9.551 8.600 187 HG2 GLN 24 2HG GLN 24 -12.910 8.907 7.840 188 HG3 GLN 24 1HG GLN 24 -12.216 7.878 6.589 189 HE21 GLN 24 1HE2 GLN 24 -14.045 7.141 8.660 190 HE22 GLN 24 2HE2 GLN 24 -13.281 5.929 9.611 191 H ILE 25 H ILE 25 -10.191 12.615 7.475 192 HA ILE 25 HA ILE 25 -8.230 13.193 5.533 193 HB ILE 25 HB ILE 25 -9.366 14.695 7.901 194 HG12 ILE 25 2HG1 ILE 25 -9.978 16.441 6.334 195 HG13 ILE 25 1HG1 ILE 25 -8.971 15.787 5.060 196 HG21 ILE 25 1HG2 ILE 25 -6.840 15.684 6.532 197 HG22 ILE 25 2HG2 ILE 25 -6.997 15.190 8.216 198 HG23 ILE 25 3HG2 ILE 25 -7.829 16.636 7.646 199 HD11 ILE 25 1HD1 ILE 25 -11.539 14.629 6.135 200 HD12 ILE 25 2HD1 ILE 25 -10.558 13.889 4.865 201 HD13 ILE 25 3HD1 ILE 25 -11.296 15.460 4.610 202 H GLU 26 H GLU 26 -7.884 12.090 8.855 203 HA GLU 26 HA GLU 26 -5.133 12.910 9.139 204 HB2 GLU 26 2HB GLU 26 -6.766 10.972 10.840 205 HB3 GLU 26 1HB GLU 26 -5.193 11.624 11.273 206 HG2 GLU 26 2HG GLU 26 -6.845 12.826 12.513 207 HG3 GLU 26 1HG GLU 26 -6.201 13.916 11.290 208 H PHE 27 H PHE 27 -6.745 9.756 8.800 209 HA PHE 27 HA PHE 27 -4.330 8.231 8.677 210 HB2 PHE 27 2HB PHE 27 -6.704 7.473 9.477 211 HB3 PHE 27 1HB PHE 27 -7.060 7.225 7.773 212 HD1 PHE 27 HD1 PHE 27 -5.029 6.109 10.642 213 HD2 PHE 27 HD2 PHE 27 -6.044 5.319 6.553 214 HE1 PHE 27 HE1 PHE 27 -3.977 3.890 10.795 215 HE2 PHE 27 HE2 PHE 27 -4.972 3.104 6.743 216 HZ PHE 27 HZ PHE 27 -3.943 2.394 8.850 217 H GLU 28 H GLU 28 -6.679 9.429 6.293 218 HA GLU 28 HA GLU 28 -5.532 8.455 3.939 219 HB2 GLU 28 2HB GLU 28 -7.727 9.530 3.869 220 HB3 GLU 28 1HB GLU 28 -7.039 11.061 4.383 221 HG2 GLU 28 2HG GLU 28 -5.703 11.109 2.245 222 HG3 GLU 28 1HG GLU 28 -6.555 9.657 1.738 223 H ASN 29 H ASN 29 -4.766 11.318 5.942 224 HA ASN 29 HA ASN 29 -2.980 12.590 4.142 225 HB2 ASN 29 2HB ASN 29 -3.931 13.635 6.285 226 HB3 ASN 29 1HB ASN 29 -2.717 12.748 7.188 227 HD21 ASN 29 1HD2 ASN 29 -3.062 15.563 7.119 228 HD22 ASN 29 2HD2 ASN 29 -1.618 16.248 6.461 229 H GLU 30 H GLU 30 -2.430 10.179 6.712 230 HA GLU 30 HA GLU 30 0.464 10.277 6.424 231 HB2 GLU 30 2HB GLU 30 -1.369 8.510 8.077 232 HB3 GLU 30 1HB GLU 30 0.369 8.248 8.006 233 HG2 GLU 30 2HG GLU 30 0.667 10.637 8.828 234 HG3 GLU 30 1HG GLU 30 -1.073 10.680 9.109 235 H LEU 31 H LEU 31 -2.137 8.249 5.222 236 HA LEU 31 HA LEU 31 -0.368 6.136 4.282 237 HB2 LEU 31 2HB LEU 31 -2.736 5.523 4.820 238 HB3 LEU 31 1HB LEU 31 -3.297 6.588 3.555 239 HG LEU 31 HG LEU 31 -1.818 4.924 1.985 240 HD11 LEU 31 1HD1 LEU 31 -2.646 3.037 4.218 241 HD12 LEU 31 2HD1 LEU 31 -1.003 3.361 3.663 242 HD13 LEU 31 3HD1 LEU 31 -2.135 2.553 2.607 243 HD21 LEU 31 1HD2 LEU 31 -4.667 4.312 2.842 244 HD22 LEU 31 2HD2 LEU 31 -3.865 3.628 1.434 245 HD23 LEU 31 3HD2 LEU 31 -4.163 5.360 1.508 246 H ARG 32 H ARG 32 -2.319 8.642 2.654 247 HA ARG 32 HA ARG 32 -1.476 8.412 0.035 248 HB2 ARG 32 2HB ARG 32 -3.329 9.833 0.547 249 HB3 ARG 32 1HB ARG 32 -2.413 10.798 1.678 250 HG2 ARG 32 2HG ARG 32 -2.893 12.093 -0.295 251 HG3 ARG 32 1HG ARG 32 -1.155 11.793 -0.214 252 HD2 ARG 32 2HD ARG 32 -1.974 11.512 -2.496 253 HD3 ARG 32 1HD ARG 32 -1.422 9.955 -1.864 254 HE ARG 32 HE ARG 32 -4.210 10.366 -1.416 255 HH11 ARG 32 1HH1 ARG 32 -1.931 9.382 -3.881 256 HH12 ARG 32 2HH1 ARG 32 -3.108 8.486 -4.769 257 HH21 ARG 32 1HH2 ARG 32 -5.773 9.245 -2.615 258 HH22 ARG 32 2HH2 ARG 32 -5.293 8.403 -4.055 259 H SER 33 H SER 33 0.142 10.129 2.730 260 HA SER 33 HA SER 33 2.072 11.472 1.107 261 HB2 SER 33 2HB SER 33 1.431 12.335 3.305 262 HB3 SER 33 1HB SER 33 2.039 10.880 4.088 263 HG SER 33 HG SER 33 3.980 11.682 4.019 264 H MET 34 H MET 34 2.212 8.517 3.151 265 HA MET 34 HA MET 34 4.994 8.006 2.567 266 HB2 MET 34 2HB MET 34 2.903 6.205 3.876 267 HB3 MET 34 1HB MET 34 4.589 5.757 3.696 268 HG2 MET 34 2HG MET 34 5.215 7.687 5.160 269 HG3 MET 34 1HG MET 34 3.501 8.021 5.394 270 HE1 MET 34 1HE MET 34 2.291 5.005 5.547 271 HE2 MET 34 2HE MET 34 1.812 6.285 6.666 272 HE3 MET 34 3HE MET 34 2.354 4.726 7.283 273 H LEU 35 H LEU 35 1.974 7.095 1.101 274 HA LEU 35 HA LEU 35 2.987 4.840 -0.387 275 HB2 LEU 35 2HB LEU 35 0.474 5.335 0.214 276 HB3 LEU 35 1HB LEU 35 0.472 6.404 -1.164 277 HG LEU 35 HG LEU 35 1.074 3.407 -1.402 278 HD11 LEU 35 1HD1 LEU 35 -1.246 3.066 -2.088 279 HD12 LEU 35 2HD1 LEU 35 -1.626 4.746 -1.698 280 HD13 LEU 35 3HD1 LEU 35 -1.137 3.631 -0.426 281 HD21 LEU 35 1HD2 LEU 35 1.824 4.711 -3.320 282 HD22 LEU 35 2HD2 LEU 35 0.236 5.455 -3.473 283 HD23 LEU 35 3HD2 LEU 35 0.432 3.723 -3.761 284 H ALA 36 H ALA 36 2.336 8.274 -1.077 285 HA ALA 36 HA ALA 36 3.205 8.422 -3.723 286 HB1 ALA 36 1HB ALA 36 3.412 10.512 -1.541 287 HB2 ALA 36 2HB ALA 36 2.048 10.254 -2.630 288 HB3 ALA 36 3HB ALA 36 3.585 10.822 -3.274 289 H THR 37 H THR 37 5.085 8.992 -0.722 290 HA THR 37 HA THR 37 7.593 9.458 -1.842 291 HB THR 37 HB THR 37 7.103 8.074 0.839 292 HG1 THR 37 HG1 THR 37 6.107 9.836 1.386 293 HG21 THR 37 1HG2 THR 37 9.118 9.281 1.583 294 HG22 THR 37 2HG2 THR 37 9.300 10.001 -0.017 295 HG23 THR 37 3HG2 THR 37 9.505 8.261 0.190 296 H ALA 38 H ALA 38 5.981 6.404 -1.019 297 HA ALA 38 HA ALA 38 8.196 4.680 -1.560 298 HB1 ALA 38 1HB ALA 38 6.561 2.843 -1.409 299 HB2 ALA 38 2HB ALA 38 5.242 4.017 -1.389 300 HB3 ALA 38 3HB ALA 38 6.402 3.979 -0.069 301 H LEU 39 H LEU 39 5.629 6.039 -3.613 302 HA LEU 39 HA LEU 39 6.221 4.416 -5.934 303 HB2 LEU 39 2HB LEU 39 4.967 7.200 -5.917 304 HB3 LEU 39 1HB LEU 39 4.934 6.067 -7.252 305 HG LEU 39 HG LEU 39 3.428 5.715 -4.627 306 HD11 LEU 39 1HD1 LEU 39 2.504 7.545 -5.918 307 HD12 LEU 39 2HD1 LEU 39 1.396 6.177 -5.870 308 HD13 LEU 39 3HD1 LEU 39 2.343 6.494 -7.328 309 HD21 LEU 39 1HD2 LEU 39 2.188 3.907 -5.887 310 HD22 LEU 39 2HD2 LEU 39 3.830 3.511 -5.428 311 HD23 LEU 39 3HD2 LEU 39 3.470 3.970 -7.098 312 H GLU 40 H GLU 40 7.465 7.374 -4.563 313 HA GLU 40 HA GLU 40 9.213 8.067 -6.769 314 HB2 GLU 40 2HB GLU 40 9.071 9.076 -3.887 315 HB3 GLU 40 1HB GLU 40 10.133 9.750 -5.129 316 HG2 GLU 40 2HG GLU 40 8.276 10.520 -6.437 317 HG3 GLU 40 1HG GLU 40 7.127 9.616 -5.458 318 H LYS 41 H LYS 41 9.398 6.035 -3.943 319 HA LYS 41 HA LYS 41 12.259 5.556 -4.114 320 HB2 LYS 41 2HB LYS 41 10.009 4.058 -2.699 321 HB3 LYS 41 1HB LYS 41 11.701 3.586 -2.602 322 HG2 LYS 41 2HG LYS 41 10.558 6.222 -1.657 323 HG3 LYS 41 1HG LYS 41 10.929 4.826 -0.626 324 HD2 LYS 41 2HD LYS 41 13.370 5.027 -1.479 325 HD3 LYS 41 1HD LYS 41 12.905 6.535 -2.237 326 HE2 LYS 41 2HE LYS 41 12.539 7.555 0.021 327 HE3 LYS 41 1HE LYS 41 12.998 6.022 0.788 328 HZ1 LYS 41 1HZ LYS 41 15.166 6.195 -0.148 329 HZ2 LYS 41 2HZ LYS 41 14.809 7.655 0.628 330 HZ3 LYS 41 3HZ LYS 41 14.742 7.558 -1.050 331 H ASP 42 H ASP 42 13.217 3.548 -4.847 332 HA ASP 42 HA ASP 42 12.163 2.410 -7.246 333 HB2 ASP 42 2HB ASP 42 14.462 1.430 -5.473 334 HB3 ASP 42 1HB ASP 42 14.094 0.800 -7.074 335 H ILE 43 H ILE 43 10.117 1.497 -6.767 336 HA ILE 43 HA ILE 43 10.100 -0.894 -5.011 337 HB ILE 43 HB ILE 43 7.580 -0.809 -5.262 338 HG12 ILE 43 2HG1 ILE 43 8.105 1.921 -6.523 339 HG13 ILE 43 1HG1 ILE 43 7.365 0.538 -7.319 340 HG21 ILE 43 1HG2 ILE 43 7.269 1.000 -3.605 341 HG22 ILE 43 2HG2 ILE 43 8.879 1.617 -3.983 342 HG23 ILE 43 3HG2 ILE 43 8.696 0.022 -3.252 343 HD11 ILE 43 1HD1 ILE 43 6.213 2.187 -5.077 344 HD12 ILE 43 2HD1 ILE 43 5.497 0.684 -5.670 345 HD13 ILE 43 3HD1 ILE 43 5.650 2.076 -6.746 346 H SER 44 H SER 44 9.665 -2.881 -5.805 347 HA SER 44 HA SER 44 10.473 -3.501 -8.477 348 HB2 SER 44 2HB SER 44 9.166 -5.392 -6.444 349 HB3 SER 44 1HB SER 44 10.180 -5.852 -7.805 350 HG SER 44 HG SER 44 10.990 -4.294 -5.578 351 H GLN 45 H GLN 45 9.196 -4.415 -10.237 352 HA GLN 45 HA GLN 45 7.011 -3.149 -11.084 353 HB2 GLN 45 2HB GLN 45 8.333 -4.701 -12.481 354 HB3 GLN 45 1HB GLN 45 7.581 -6.083 -11.700 355 HG2 GLN 45 2HG GLN 45 6.503 -5.809 -13.819 356 HG3 GLN 45 1HG GLN 45 5.345 -5.261 -12.603 357 HE21 GLN 45 1HE2 GLN 45 4.220 -3.907 -13.988 358 HE22 GLN 45 2HE2 GLN 45 4.900 -2.488 -14.693 359 H GLU 46 H GLU 46 6.845 -5.916 -8.966 360 HA GLU 46 HA GLU 46 3.991 -6.352 -9.257 361 HB2 GLU 46 2HB GLU 46 4.249 -8.329 -7.903 362 HB3 GLU 46 1HB GLU 46 5.554 -8.289 -9.078 363 HG2 GLU 46 2HG GLU 46 7.201 -7.806 -7.405 364 HG3 GLU 46 1HG GLU 46 5.980 -7.354 -6.220 365 H GLU 47 H GLU 47 6.094 -4.843 -7.045 366 HA GLU 47 HA GLU 47 4.261 -4.639 -4.803 367 HB2 GLU 47 2HB GLU 47 6.677 -4.972 -4.400 368 HB3 GLU 47 1HB GLU 47 7.086 -3.566 -5.374 369 HG2 GLU 47 2HG GLU 47 6.069 -2.104 -3.661 370 HG3 GLU 47 1HG GLU 47 5.699 -3.529 -2.685 371 H ARG 48 H ARG 48 5.649 -2.694 -7.358 372 HA ARG 48 HA ARG 48 4.330 -0.260 -7.065 373 HB2 ARG 48 2HB ARG 48 6.237 -0.657 -8.596 374 HB3 ARG 48 1HB ARG 48 5.198 -1.665 -9.593 375 HG2 ARG 48 2HG ARG 48 3.761 0.298 -10.046 376 HG3 ARG 48 1HG ARG 48 4.858 1.298 -9.094 377 HD2 ARG 48 2HD ARG 48 6.695 0.691 -10.701 378 HD3 ARG 48 1HD ARG 48 5.492 -0.157 -11.677 379 HE ARG 48 HE ARG 48 4.331 2.128 -11.706 380 HH11 ARG 48 1HH1 ARG 48 7.826 1.706 -11.827 381 HH12 ARG 48 2HH1 ARG 48 8.093 3.179 -12.701 382 HH21 ARG 48 1HH2 ARG 48 4.688 4.062 -12.796 383 HH22 ARG 48 2HH2 ARG 48 6.298 4.522 -13.251 384 H ASN 49 H ASN 49 3.455 -3.275 -8.719 385 HA ASN 49 HA ASN 49 1.029 -2.572 -9.878 386 HB2 ASN 49 2HB ASN 49 2.350 -4.713 -10.190 387 HB3 ASN 49 1HB ASN 49 1.687 -5.292 -8.671 388 HD21 ASN 49 1HD2 ASN 49 1.486 -6.283 -11.463 389 HD22 ASN 49 2HD2 ASN 49 -0.211 -6.460 -11.754 390 H ALA 50 H ALA 50 1.698 -3.807 -6.619 391 HA ALA 50 HA ALA 50 -0.909 -3.968 -5.575 392 HB1 ALA 50 1HB ALA 50 0.183 -4.054 -3.391 393 HB2 ALA 50 2HB ALA 50 1.684 -3.441 -4.093 394 HB3 ALA 50 3HB ALA 50 1.068 -5.027 -4.565 395 H LEU 51 H LEU 51 1.495 -1.298 -5.171 396 HA LEU 51 HA LEU 51 -0.343 0.351 -3.696 397 HB2 LEU 51 2HB LEU 51 2.231 1.240 -5.044 398 HB3 LEU 51 1HB LEU 51 1.370 2.106 -3.793 399 HG LEU 51 HG LEU 51 2.954 -0.476 -3.455 400 HD11 LEU 51 1HD1 LEU 51 3.446 2.270 -2.254 401 HD12 LEU 51 2HD1 LEU 51 4.290 1.623 -3.652 402 HD13 LEU 51 3HD1 LEU 51 4.464 0.838 -2.090 403 HD21 LEU 51 1HD2 LEU 51 2.539 -0.190 -0.983 404 HD22 LEU 51 2HD2 LEU 51 1.140 -0.717 -1.894 405 HD23 LEU 51 3HD2 LEU 51 1.269 0.969 -1.375 406 H ASN 52 H ASN 52 0.322 0.027 -7.098 407 HA ASN 52 HA ASN 52 -0.954 2.392 -8.017 408 HB2 ASN 52 2HB ASN 52 -0.192 -0.188 -9.363 409 HB3 ASN 52 1HB ASN 52 -1.265 0.915 -10.204 410 HD21 ASN 52 1HD2 ASN 52 0.018 1.615 -11.781 411 HD22 ASN 52 2HD2 ASN 52 1.513 2.450 -11.563 412 H ILE 53 H ILE 53 -2.091 -0.936 -7.499 413 HA ILE 53 HA ILE 53 -4.772 -0.570 -8.380 414 HB ILE 53 HB ILE 53 -3.558 -2.632 -6.481 415 HG12 ILE 53 2HG1 ILE 53 -4.492 -2.883 -9.386 416 HG13 ILE 53 1HG1 ILE 53 -2.822 -2.806 -8.853 417 HG21 ILE 53 1HG2 ILE 53 -5.660 -3.954 -6.692 418 HG22 ILE 53 2HG2 ILE 53 -6.410 -2.602 -7.542 419 HG23 ILE 53 3HG2 ILE 53 -5.918 -2.417 -5.861 420 HD11 ILE 53 1HD1 ILE 53 -3.090 -4.928 -7.672 421 HD12 ILE 53 2HD1 ILE 53 -3.433 -5.067 -9.395 422 HD13 ILE 53 3HD1 ILE 53 -4.762 -5.030 -8.236 423 H ALA 54 H ALA 54 -3.156 -0.190 -5.254 424 HA ALA 54 HA ALA 54 -5.311 0.386 -3.570 425 HB1 ALA 54 1HB ALA 54 -3.651 1.487 -2.131 426 HB2 ALA 54 2HB ALA 54 -2.498 1.522 -3.469 427 HB3 ALA 54 3HB ALA 54 -3.015 -0.022 -2.788 428 H GLU 55 H GLU 55 -3.238 2.694 -5.408 429 HA GLU 55 HA GLU 55 -4.565 5.015 -4.402 430 HB2 GLU 55 2HB GLU 55 -2.243 5.169 -5.022 431 HB3 GLU 55 1HB GLU 55 -2.592 4.656 -6.667 432 HG2 GLU 55 2HG GLU 55 -3.911 6.734 -7.021 433 HG3 GLU 55 1HG GLU 55 -3.462 7.277 -5.408 434 H LYS 56 H LYS 56 -4.742 3.294 -7.533 435 HA LYS 56 HA LYS 56 -6.396 5.092 -8.886 436 HB2 LYS 56 2HB LYS 56 -6.847 3.387 -10.530 437 HB3 LYS 56 1HB LYS 56 -5.176 3.250 -10.016 438 HG2 LYS 56 2HG LYS 56 -5.799 1.029 -10.149 439 HG3 LYS 56 1HG LYS 56 -6.065 1.348 -8.441 440 HD2 LYS 56 2HD LYS 56 -8.510 1.674 -8.933 441 HD3 LYS 56 1HD LYS 56 -8.200 1.231 -10.614 442 HE2 LYS 56 2HE LYS 56 -7.702 -0.541 -8.195 443 HE3 LYS 56 1HE LYS 56 -9.070 -0.669 -9.301 444 HZ1 LYS 56 1HZ LYS 56 -7.345 -2.275 -9.813 445 HZ2 LYS 56 2HZ LYS 56 -6.220 -1.044 -10.055 446 HZ3 LYS 56 3HZ LYS 56 -7.547 -1.194 -11.090 447 H ALA 57 H ALA 57 -7.105 2.669 -6.520 448 HA ALA 57 HA ALA 57 -9.965 2.748 -6.815 449 HB1 ALA 57 1HB ALA 57 -8.198 1.411 -4.786 450 HB2 ALA 57 2HB ALA 57 -8.874 0.679 -6.241 451 HB3 ALA 57 3HB ALA 57 -9.947 1.193 -4.931 452 H LEU 58 H LEU 58 -7.530 4.249 -4.649 453 HA LEU 58 HA LEU 58 -9.379 5.439 -2.829 454 HB2 LEU 58 2HB LEU 58 -6.832 6.814 -3.792 455 HB3 LEU 58 1HB LEU 58 -7.671 7.110 -2.281 456 HG LEU 58 HG LEU 58 -5.876 4.721 -2.998 457 HD11 LEU 58 1HD1 LEU 58 -4.405 5.343 -1.185 458 HD12 LEU 58 2HD1 LEU 58 -5.422 6.709 -0.748 459 HD13 LEU 58 3HD1 LEU 58 -4.574 6.689 -2.303 460 HD21 LEU 58 1HD2 LEU 58 -7.566 3.628 -1.671 461 HD22 LEU 58 2HD2 LEU 58 -7.506 4.889 -0.428 462 HD23 LEU 58 3HD2 LEU 58 -6.134 3.821 -0.677 463 H ASP 59 H ASP 59 -8.298 6.356 -6.037 464 HA ASP 59 HA ASP 59 -9.678 8.857 -6.251 465 HB2 ASP 59 2HB ASP 59 -7.777 8.151 -7.725 466 HB3 ASP 59 1HB ASP 59 -8.827 6.944 -8.457 467 H ASN 60 H ASN 60 -10.510 5.512 -7.269 468 HA ASN 60 HA ASN 60 -13.141 6.210 -8.242 469 HB2 ASN 60 2HB ASN 60 -11.942 3.454 -7.692 470 HB3 ASN 60 1HB ASN 60 -13.502 3.725 -8.455 471 HD21 ASN 60 1HD2 ASN 60 -11.243 2.295 -9.515 472 HD22 ASN 60 2HD2 ASN 60 -10.762 3.100 -10.968 473 H SER 61 H SER 61 -11.866 5.740 -5.148 474 HA SER 61 HA SER 61 -12.671 5.692 -3.077 475 HB2 SER 61 2HB SER 61 -14.081 7.598 -4.040 476 HB3 SER 61 1HB SER 61 -15.414 6.449 -4.151 477 HG SER 61 HG SER 61 -15.442 6.264 -1.968 478 H GLU 62 H GLU 62 -12.404 3.257 -4.039 479 HA GLU 62 HA GLU 62 -14.778 1.611 -3.612 480 HB2 GLU 62 2HB GLU 62 -11.887 0.927 -4.294 481 HB3 GLU 62 1HB GLU 62 -13.195 -0.250 -4.219 482 HG2 GLU 62 2HG GLU 62 -14.366 0.839 -6.058 483 HG3 GLU 62 1HG GLU 62 -13.179 2.140 -6.085 484 H TYR 63 H TYR 63 -13.862 3.140 -1.409 485 HA TYR 63 HA TYR 63 -14.165 3.075 0.794 486 HB2 TYR 63 2HB TYR 63 -14.416 0.056 0.529 487 HB3 TYR 63 1HB TYR 63 -14.771 0.974 1.985 488 HD1 TYR 63 HD1 TYR 63 -16.689 2.737 1.863 489 HD2 TYR 63 HD2 TYR 63 -16.122 -0.304 -1.094 490 HE1 TYR 63 HE1 TYR 63 -19.036 2.964 1.155 491 HE2 TYR 63 HE2 TYR 63 -18.458 -0.064 -1.797 492 HH TYR 63 HH TYR 63 -20.586 0.695 -0.821 493 H LEU 64 H LEU 64 -13.029 2.768 2.767 494 HA LEU 64 HA LEU 64 -10.147 2.593 2.169 495 HB2 LEU 64 2HB LEU 64 -11.619 3.844 4.455 496 HB3 LEU 64 1HB LEU 64 -10.129 3.076 4.905 497 HG LEU 64 HG LEU 64 -9.900 5.487 4.632 498 HD11 LEU 64 1HD1 LEU 64 -7.851 5.574 3.481 499 HD12 LEU 64 2HD1 LEU 64 -8.230 4.181 2.485 500 HD13 LEU 64 3HD1 LEU 64 -7.960 3.977 4.209 501 HD21 LEU 64 1HD2 LEU 64 -11.499 6.013 2.911 502 HD22 LEU 64 2HD2 LEU 64 -10.523 5.181 1.696 503 HD23 LEU 64 3HD2 LEU 64 -9.908 6.606 2.495 504 HA PRO 65 HA PRO 65 -10.552 -0.996 5.523 505 HB2 PRO 65 2HB PRO 65 -13.064 -2.166 5.675 506 HB3 PRO 65 1HB PRO 65 -12.513 -0.884 6.771 507 HG2 PRO 65 2HG PRO 65 -14.184 -0.621 4.286 508 HG3 PRO 65 1HG PRO 65 -14.458 0.076 5.901 509 HD2 PRO 65 2HD PRO 65 -13.393 1.563 3.987 510 HD3 PRO 65 1HD PRO 65 -12.762 1.673 5.647 511 H LYS 66 H LYS 66 -12.401 -0.892 2.493 512 HA LYS 66 HA LYS 66 -12.102 -3.675 1.839 513 HB2 LYS 66 2HB LYS 66 -13.991 -2.438 0.919 514 HB3 LYS 66 1HB LYS 66 -12.928 -1.278 0.126 515 HG2 LYS 66 2HG LYS 66 -12.067 -3.102 -1.340 516 HG3 LYS 66 1HG LYS 66 -13.169 -4.238 -0.565 517 HD2 LYS 66 2HD LYS 66 -13.993 -1.776 -2.146 518 HD3 LYS 66 1HD LYS 66 -14.019 -3.429 -2.756 519 HE2 LYS 66 2HE LYS 66 -15.683 -2.352 -0.457 520 HE3 LYS 66 1HE LYS 66 -16.261 -2.699 -2.082 521 HZ1 LYS 66 1HZ LYS 66 -15.174 -4.714 -0.197 522 HZ2 LYS 66 2HZ LYS 66 -15.783 -5.027 -1.740 523 HZ3 LYS 66 3HZ LYS 66 -16.811 -4.460 -0.527 524 H ILE 67 H ILE 67 -10.423 -0.658 0.927 525 HA ILE 67 HA ILE 67 -8.558 -1.969 -0.852 526 HB ILE 67 HB ILE 67 -8.619 0.859 0.293 527 HG12 ILE 67 2HG1 ILE 67 -9.417 -0.235 -2.429 528 HG13 ILE 67 1HG1 ILE 67 -10.539 0.199 -1.155 529 HG21 ILE 67 1HG2 ILE 67 -7.001 1.469 -1.495 530 HG22 ILE 67 2HG2 ILE 67 -6.855 -0.230 -1.933 531 HG23 ILE 67 3HG2 ILE 67 -6.301 0.317 -0.352 532 HD11 ILE 67 1HD1 ILE 67 -10.387 1.872 -2.922 533 HD12 ILE 67 2HD1 ILE 67 -8.692 2.149 -2.517 534 HD13 ILE 67 3HD1 ILE 67 -9.959 2.498 -1.340 535 H ILE 68 H ILE 68 -8.625 -1.175 2.564 536 HA ILE 68 HA ILE 68 -5.853 -1.613 3.102 537 HB ILE 68 HB ILE 68 -8.328 -1.549 4.861 538 HG12 ILE 68 2HG1 ILE 68 -5.831 0.212 4.767 539 HG13 ILE 68 1HG1 ILE 68 -7.371 0.600 4.013 540 HG21 ILE 68 1HG2 ILE 68 -6.905 -3.267 5.877 541 HG22 ILE 68 2HG2 ILE 68 -6.925 -1.811 6.873 542 HG23 ILE 68 3HG2 ILE 68 -5.528 -2.164 5.852 543 HD11 ILE 68 1HD1 ILE 68 -6.837 0.355 6.962 544 HD12 ILE 68 2HD1 ILE 68 -8.416 0.654 6.233 545 HD13 ILE 68 3HD1 ILE 68 -7.121 1.833 6.039 546 H LEU 69 H LEU 69 -8.773 -3.691 3.177 547 HA LEU 69 HA LEU 69 -7.504 -6.134 3.794 548 HB2 LEU 69 2HB LEU 69 -10.064 -5.535 3.570 549 HB3 LEU 69 1HB LEU 69 -9.871 -6.000 1.890 550 HG LEU 69 HG LEU 69 -9.567 -7.787 4.379 551 HD11 LEU 69 1HD1 LEU 69 -11.917 -7.553 3.680 552 HD12 LEU 69 2HD1 LEU 69 -11.336 -9.200 3.535 553 HD13 LEU 69 3HD1 LEU 69 -11.517 -8.212 2.088 554 HD21 LEU 69 1HD2 LEU 69 -7.783 -8.473 2.834 555 HD22 LEU 69 2HD2 LEU 69 -8.978 -8.772 1.568 556 HD23 LEU 69 3HD2 LEU 69 -8.996 -9.734 3.047 557 H ASN 70 H ASN 70 -8.108 -4.495 0.654 558 HA ASN 70 HA ASN 70 -7.165 -6.623 -0.982 559 HB2 ASN 70 2HB ASN 70 -8.766 -4.857 -1.769 560 HB3 ASN 70 1HB ASN 70 -7.467 -3.668 -1.719 561 HD21 ASN 70 1HD2 ASN 70 -7.622 -3.255 -3.913 562 HD22 ASN 70 2HD2 ASN 70 -7.141 -4.376 -5.132 563 H LEU 71 H LEU 71 -5.556 -3.808 0.438 564 HA LEU 71 HA LEU 71 -3.183 -3.981 -1.207 565 HB2 LEU 71 2HB LEU 71 -4.273 -1.922 0.197 566 HB3 LEU 71 1HB LEU 71 -3.167 -2.488 1.426 567 HG LEU 71 HG LEU 71 -2.392 -1.476 -1.345 568 HD11 LEU 71 1HD1 LEU 71 -2.051 -0.153 1.367 569 HD12 LEU 71 2HD1 LEU 71 -3.186 0.322 0.100 570 HD13 LEU 71 3HD1 LEU 71 -1.453 0.470 -0.177 571 HD21 LEU 71 1HD2 LEU 71 -0.567 -2.324 0.922 572 HD22 LEU 71 2HD2 LEU 71 -0.056 -1.512 -0.561 573 HD23 LEU 71 3HD2 LEU 71 -0.747 -3.126 -0.641 574 H ARG 72 H ARG 72 -4.326 -5.081 1.950 575 HA ARG 72 HA ARG 72 -1.802 -6.340 2.660 576 HB2 ARG 72 2HB ARG 72 -3.384 -5.402 4.408 577 HB3 ARG 72 1HB ARG 72 -4.503 -6.716 4.058 578 HG2 ARG 72 2HG ARG 72 -2.699 -8.335 4.636 579 HG3 ARG 72 1HG ARG 72 -1.672 -6.975 5.082 580 HD2 ARG 72 2HD ARG 72 -3.330 -6.349 6.818 581 HD3 ARG 72 1HD ARG 72 -4.272 -7.784 6.402 582 HE ARG 72 HE ARG 72 -1.659 -8.621 6.877 583 HH11 ARG 72 1HH1 ARG 72 -4.309 -7.222 8.743 584 HH12 ARG 72 2HH1 ARG 72 -3.794 -7.962 10.215 585 HH21 ARG 72 1HH2 ARG 72 -1.019 -9.561 8.805 586 HH22 ARG 72 2HH2 ARG 72 -1.927 -9.290 10.257 587 H LYS 73 H LYS 73 -4.622 -7.259 0.824 588 HA LYS 73 HA LYS 73 -4.246 -10.128 1.062 589 HB2 LYS 73 2HB LYS 73 -6.495 -9.137 0.564 590 HB3 LYS 73 1HB LYS 73 -5.885 -8.513 -0.963 591 HG2 LYS 73 2HG LYS 73 -7.213 -10.514 -1.350 592 HG3 LYS 73 1HG LYS 73 -5.526 -10.827 -1.765 593 HD2 LYS 73 2HD LYS 73 -5.218 -11.998 0.402 594 HD3 LYS 73 1HD LYS 73 -6.907 -11.689 0.813 595 HE2 LYS 73 2HE LYS 73 -7.644 -13.078 -1.074 596 HE3 LYS 73 1HE LYS 73 -5.968 -13.319 -1.577 597 HZ1 LYS 73 1HZ LYS 73 -7.198 -14.267 0.956 598 HZ2 LYS 73 2HZ LYS 73 -5.568 -14.421 0.568 599 HZ3 LYS 73 3HZ LYS 73 -6.727 -15.224 -0.357 600 H ALA 74 H ALA 74 -3.115 -7.476 -0.899 601 HA ALA 74 HA ALA 74 -1.531 -9.060 -2.700 602 HB1 ALA 74 1HB ALA 74 -1.262 -6.144 -1.902 603 HB2 ALA 74 2HB ALA 74 -2.221 -6.759 -3.248 604 HB3 ALA 74 3HB ALA 74 -0.464 -6.925 -3.274 605 H LEU 75 H LEU 75 -0.718 -7.123 0.239 606 HA LEU 75 HA LEU 75 2.077 -7.830 -0.040 607 HB2 LEU 75 2HB LEU 75 0.645 -5.865 1.735 608 HB3 LEU 75 1HB LEU 75 2.208 -6.443 2.263 609 HG LEU 75 HG LEU 75 3.246 -5.626 0.154 610 HD11 LEU 75 1HD1 LEU 75 2.034 -4.095 -1.349 611 HD12 LEU 75 2HD1 LEU 75 0.530 -4.501 -0.522 612 HD13 LEU 75 3HD1 LEU 75 1.410 -5.741 -1.411 613 HD21 LEU 75 1HD2 LEU 75 1.730 -3.453 1.635 614 HD22 LEU 75 2HD2 LEU 75 3.197 -3.236 0.674 615 HD23 LEU 75 3HD2 LEU 75 3.249 -4.191 2.153 616 H THR 76 H THR 76 -0.412 -9.014 2.241 617 HA THR 76 HA THR 76 1.448 -10.227 3.999 618 HB THR 76 HB THR 76 -1.497 -10.858 3.576 619 HG1 THR 76 HG1 THR 76 0.064 -9.456 5.398 620 HG21 THR 76 1HG2 THR 76 -0.442 -12.991 4.275 621 HG22 THR 76 2HG2 THR 76 -1.391 -12.300 5.588 622 HG23 THR 76 3HG2 THR 76 0.369 -12.159 5.606 623 HA PRO 77 HA PRO 77 1.083 -14.354 1.331 624 HB2 PRO 77 2HB PRO 77 0.364 -13.316 -1.397 625 HB3 PRO 77 1HB PRO 77 -0.163 -14.798 -0.572 626 HG2 PRO 77 2HG PRO 77 -1.846 -12.761 -0.822 627 HG3 PRO 77 1HG PRO 77 -1.782 -13.700 0.690 628 HD2 PRO 77 2HD PRO 77 -0.538 -11.013 0.092 629 HD3 PRO 77 1HD PRO 77 -1.468 -11.539 1.499 630 H LEU 78 H LEU 78 2.035 -11.343 -0.357 631 HA LEU 78 HA LEU 78 4.351 -12.465 -1.609 632 HB2 LEU 78 2HB LEU 78 3.961 -9.505 -0.990 633 HB3 LEU 78 1HB LEU 78 5.078 -10.181 -2.158 634 HG LEU 78 HG LEU 78 2.037 -10.180 -2.390 635 HD11 LEU 78 1HD1 LEU 78 2.297 -8.658 -4.280 636 HD12 LEU 78 2HD1 LEU 78 4.036 -8.607 -4.030 637 HD13 LEU 78 3HD1 LEU 78 2.953 -7.948 -2.814 638 HD21 LEU 78 1HD2 LEU 78 2.360 -11.024 -4.713 639 HD22 LEU 78 2HD2 LEU 78 2.777 -12.192 -3.478 640 HD23 LEU 78 3HD2 LEU 78 4.056 -11.332 -4.344 641 H ALA 79 H ALA 79 3.806 -10.993 1.499 642 HA ALA 79 HA ALA 79 6.541 -10.711 2.278 643 HB1 ALA 79 1HB ALA 79 4.739 -9.449 3.382 644 HB2 ALA 79 2HB ALA 79 5.655 -10.403 4.552 645 HB3 ALA 79 3HB ALA 79 4.061 -10.948 4.017 646 H ILE 80 H ILE 80 4.034 -13.209 2.888 647 HA ILE 80 HA ILE 80 5.561 -15.025 4.408 648 HB ILE 80 HB ILE 80 3.206 -15.600 2.535 649 HG12 ILE 80 2HG1 ILE 80 3.234 -15.213 5.577 650 HG13 ILE 80 1HG1 ILE 80 2.653 -14.042 4.403 651 HG21 ILE 80 1HG2 ILE 80 2.900 -17.743 3.778 652 HG22 ILE 80 2HG2 ILE 80 4.408 -17.441 4.642 653 HG23 ILE 80 3HG2 ILE 80 4.432 -17.690 2.897 654 HD11 ILE 80 1HD1 ILE 80 1.439 -16.751 4.935 655 HD12 ILE 80 2HD1 ILE 80 0.872 -15.579 3.743 656 HD13 ILE 80 3HD1 ILE 80 0.815 -15.185 5.459 657 H ASN 81 H ASN 81 5.091 -14.786 0.905 658 HA ASN 81 HA ASN 81 6.834 -16.965 0.209 659 HB2 ASN 81 2HB ASN 81 5.628 -14.687 -1.420 660 HB3 ASN 81 1HB ASN 81 6.650 -15.940 -2.130 661 HD21 ASN 81 1HD2 ASN 81 4.929 -16.599 -3.462 662 HD22 ASN 81 2HD2 ASN 81 3.589 -17.501 -2.848 663 H ARG 82 H ARG 82 7.319 -13.630 1.068 664 HA ARG 82 HA ARG 82 9.144 -12.382 1.419 665 HB2 ARG 82 2HB ARG 82 10.682 -15.005 1.241 666 HB3 ARG 82 1HB ARG 82 11.375 -13.480 1.781 667 HG2 ARG 82 2HG ARG 82 9.700 -13.456 3.666 668 HG3 ARG 82 1HG ARG 82 9.189 -15.074 3.163 669 HD2 ARG 82 2HD ARG 82 10.772 -15.215 5.011 670 HD3 ARG 82 1HD ARG 82 11.478 -15.916 3.555 671 HE ARG 82 HE ARG 82 12.944 -14.089 3.378 672 HH11 ARG 82 1HH1 ARG 82 10.926 -13.781 6.271 673 HH12 ARG 82 2HH1 ARG 82 11.956 -12.583 6.993 674 HH21 ARG 82 1HH2 ARG 82 14.244 -12.506 4.322 675 HH22 ARG 82 2HH2 ARG 82 13.833 -11.867 5.882 676 H THR 83 H THR 83 8.336 -11.796 -0.895 677 HA THR 83 HA THR 83 10.771 -11.488 -2.557 678 HB THR 83 HB THR 83 9.306 -13.276 -3.559 679 HG1 THR 83 HG1 THR 83 9.553 -10.886 -5.116 680 HG21 THR 83 1HG2 THR 83 7.341 -11.023 -4.075 681 HG22 THR 83 2HG2 THR 83 7.119 -12.326 -2.913 682 HG23 THR 83 3HG2 THR 83 7.210 -12.694 -4.633 683 H LEU 84 H LEU 84 8.461 -9.956 -0.783 684 HA LEU 84 HA LEU 84 8.018 -7.561 -2.314 685 HB2 LEU 84 2HB LEU 84 6.574 -8.364 -0.387 686 HB3 LEU 84 1HB LEU 84 7.910 -8.064 0.701 687 HG LEU 84 HG LEU 84 7.694 -5.553 -0.075 688 HD11 LEU 84 1HD1 LEU 84 5.323 -4.920 -0.632 689 HD12 LEU 84 2HD1 LEU 84 5.018 -6.619 -0.999 690 HD13 LEU 84 3HD1 LEU 84 6.210 -5.708 -1.926 691 HD21 LEU 84 1HD2 LEU 84 6.015 -5.090 1.672 692 HD22 LEU 84 2HD2 LEU 84 7.202 -6.279 2.201 693 HD23 LEU 84 3HD2 LEU 84 5.587 -6.804 1.717 694 H ASN 85 H ASN 85 9.168 -5.462 -1.941 695 HA ASN 85 HA ASN 85 12.022 -5.858 -1.463 696 HB2 ASN 85 2HB ASN 85 11.304 -4.152 -3.146 697 HB3 ASN 85 1HB ASN 85 10.646 -3.150 -1.841 698 HD21 ASN 85 1HD2 ASN 85 12.076 -1.438 -2.234 699 HD22 ASN 85 2HD2 ASN 85 13.763 -1.518 -1.938 700 H HIS 86 H HIS 86 9.311 -4.505 0.336 701 HA HIS 86 HA HIS 86 8.903 -4.525 2.569 702 HB2 HIS 86 2HB HIS 86 10.179 -6.684 2.518 703 HB3 HIS 86 1HB HIS 86 11.661 -5.805 2.842 704 HD1 HIS 86 HD1 HIS 86 12.291 -5.551 5.235 705 HD2 HIS 86 HD2 HIS 86 8.305 -6.614 4.771 706 HE1 HIS 86 HE1 HIS 86 11.456 -6.061 7.543 707 HE2 HIS 86 HE2 HIS 86 9.101 -6.862 7.210 708 H ASP 87 H ASP 87 10.920 -2.536 1.079 709 HA ASP 87 HA ASP 87 12.251 -1.200 3.258 710 HB2 ASP 87 2HB ASP 87 13.223 -1.289 0.931 711 HB3 ASP 87 1HB ASP 87 11.929 -0.261 0.339 712 H LEU 88 H LEU 88 9.051 -1.245 2.267 713 HA LEU 88 HA LEU 88 8.468 1.139 3.900 714 HB2 LEU 88 2HB LEU 88 6.242 1.320 2.703 715 HB3 LEU 88 1HB LEU 88 7.635 1.904 1.825 716 HG LEU 88 HG LEU 88 6.763 -0.931 1.198 717 HD11 LEU 88 1HD1 LEU 88 4.609 0.276 1.321 718 HD12 LEU 88 2HD1 LEU 88 5.010 -0.169 -0.334 719 HD13 LEU 88 3HD1 LEU 88 5.222 1.499 0.206 720 HD21 LEU 88 1HD2 LEU 88 8.709 0.115 0.104 721 HD22 LEU 88 2HD2 LEU 88 7.668 1.387 -0.534 722 HD23 LEU 88 3HD2 LEU 88 7.437 -0.284 -1.042 723 H SER 89 H SER 89 9.007 -1.345 4.917 724 HA SER 89 HA SER 89 6.808 -2.999 5.439 725 HB2 SER 89 2HB SER 89 8.127 -3.688 7.485 726 HB3 SER 89 1HB SER 89 9.041 -3.735 5.982 727 HG SER 89 HG SER 89 10.359 -2.330 6.771 728 H GLU 90 H GLU 90 7.608 0.159 6.685 729 HA GLU 90 HA GLU 90 5.932 0.155 9.016 730 HB2 GLU 90 2HB GLU 90 7.183 2.429 7.405 731 HB3 GLU 90 1HB GLU 90 6.208 2.721 8.840 732 HG2 GLU 90 2HG GLU 90 7.844 1.566 10.255 733 HG3 GLU 90 1HG GLU 90 8.794 1.107 8.839 734 H LEU 91 H LEU 91 5.283 0.737 5.592 735 HA LEU 91 HA LEU 91 2.726 1.994 5.912 736 HB2 LEU 91 2HB LEU 91 4.250 1.897 3.802 737 HB3 LEU 91 1HB LEU 91 3.629 0.287 3.523 738 HG LEU 91 HG LEU 91 2.576 2.097 2.109 739 HD11 LEU 91 1HD1 LEU 91 0.549 0.675 3.860 740 HD12 LEU 91 2HD1 LEU 91 1.344 0.002 2.437 741 HD13 LEU 91 3HD1 LEU 91 0.259 1.375 2.264 742 HD21 LEU 91 1HD2 LEU 91 1.397 3.070 4.728 743 HD22 LEU 91 2HD2 LEU 91 0.926 3.625 3.124 744 HD23 LEU 91 3HD2 LEU 91 2.560 3.915 3.706 745 H TYR 92 H TYR 92 3.827 -1.373 5.464 746 HA TYR 92 HA TYR 92 1.272 -2.607 5.445 747 HB2 TYR 92 2HB TYR 92 3.168 -3.774 4.489 748 HB3 TYR 92 1HB TYR 92 4.045 -3.688 6.007 749 HD1 TYR 92 HD1 TYR 92 4.147 -5.660 7.274 750 HD2 TYR 92 HD2 TYR 92 0.771 -5.074 4.728 751 HE1 TYR 92 HE1 TYR 92 3.292 -7.862 7.918 752 HE2 TYR 92 HE2 TYR 92 -0.080 -7.282 5.369 753 HH TYR 92 HH TYR 92 1.228 -9.075 7.993 754 H LYS 93 H LYS 93 3.606 -1.768 7.936 755 HA LYS 93 HA LYS 93 2.322 -2.984 10.178 756 HB2 LYS 93 2HB LYS 93 4.736 -2.405 10.160 757 HB3 LYS 93 1HB LYS 93 4.332 -0.693 10.060 758 HG2 LYS 93 2HG LYS 93 3.251 -0.820 12.290 759 HG3 LYS 93 1HG LYS 93 3.665 -2.532 12.389 760 HD2 LYS 93 2HD LYS 93 5.672 -0.256 12.179 761 HD3 LYS 93 1HD LYS 93 5.238 -1.086 13.673 762 HE2 LYS 93 2HE LYS 93 6.151 -3.182 12.813 763 HE3 LYS 93 1HE LYS 93 6.496 -2.426 11.256 764 HZ1 LYS 93 1HZ LYS 93 8.058 -0.939 12.402 765 HZ2 LYS 93 2HZ LYS 93 8.473 -2.562 12.591 766 HZ3 LYS 93 3HZ LYS 93 7.744 -1.731 13.860 767 H PHE 94 H PHE 94 2.222 0.206 8.658 768 HA PHE 94 HA PHE 94 0.934 1.706 10.646 769 HB2 PHE 94 2HB PHE 94 2.008 2.829 8.812 770 HB3 PHE 94 1HB PHE 94 1.065 1.965 7.615 771 HD1 PHE 94 HD1 PHE 94 -0.756 3.052 6.626 772 HD2 PHE 94 HD2 PHE 94 0.662 4.456 10.410 773 HE1 PHE 94 HE1 PHE 94 -2.266 4.967 6.483 774 HE2 PHE 94 HE2 PHE 94 -0.860 6.377 10.257 775 HZ PHE 94 HZ PHE 94 -2.320 6.642 8.291 776 H ILE 95 H ILE 95 -0.440 -0.097 7.876 777 HA ILE 95 HA ILE 95 -3.164 0.572 8.541 778 HB ILE 95 HB ILE 95 -3.900 -0.760 6.722 779 HG12 ILE 95 2HG1 ILE 95 -1.303 -2.334 6.950 780 HG13 ILE 95 1HG1 ILE 95 -2.957 -2.911 6.975 781 HG21 ILE 95 1HG2 ILE 95 -2.697 1.284 6.091 782 HG22 ILE 95 2HG2 ILE 95 -2.562 0.061 4.836 783 HG23 ILE 95 3HG2 ILE 95 -1.197 0.382 5.910 784 HD11 ILE 95 1HD1 ILE 95 -1.563 -1.836 4.526 785 HD12 ILE 95 2HD1 ILE 95 -3.185 -2.528 4.615 786 HD13 ILE 95 3HD1 ILE 95 -1.776 -3.536 4.940 787 H THR 96 H THR 96 -1.062 -1.539 10.118 788 HA THR 96 HA THR 96 -3.307 -3.095 11.279 789 HB THR 96 HB THR 96 -1.431 -4.633 12.180 790 HG1 THR 96 HG1 THR 96 0.101 -3.662 10.012 791 HG21 THR 96 1HG2 THR 96 -2.942 -5.303 10.319 792 HG22 THR 96 2HG2 THR 96 -1.321 -5.991 10.174 793 HG23 THR 96 3HG2 THR 96 -1.782 -4.614 9.181 794 H SER 97 H SER 97 -1.272 -0.484 11.847 795 HA SER 97 HA SER 97 -0.650 -1.036 14.646 796 HB2 SER 97 2HB SER 97 -0.081 1.327 12.814 797 HB3 SER 97 1HB SER 97 0.335 1.333 14.525 798 HG SER 97 HG SER 97 1.161 -0.849 13.012 799 H SER 98 H SER 98 -2.711 1.218 12.824 800 HA SER 98 HA SER 98 -3.795 2.398 15.270 801 HB2 SER 98 2HB SER 98 -4.288 3.061 12.339 802 HB3 SER 98 1HB SER 98 -4.798 4.035 13.721 803 HG SER 98 HG SER 98 -2.904 4.881 12.955 804 H LYS 99 H LYS 99 -4.492 -0.438 14.503 805 HA LYS 99 HA LYS 99 -6.236 -1.885 14.486 806 HB2 LYS 99 2HB LYS 99 -7.691 0.501 15.709 807 HB3 LYS 99 1HB LYS 99 -8.375 -1.118 15.632 808 HG2 LYS 99 2HG LYS 99 -5.821 -0.388 17.099 809 HG3 LYS 99 1HG LYS 99 -7.407 -0.581 17.850 810 HD2 LYS 99 2HD LYS 99 -7.455 -2.957 17.094 811 HD3 LYS 99 1HD LYS 99 -5.852 -2.746 16.385 812 HE2 LYS 99 2HE LYS 99 -4.964 -2.229 18.654 813 HE3 LYS 99 1HE LYS 99 -6.559 -2.559 19.331 814 HZ1 LYS 99 1HZ LYS 99 -4.865 -4.496 17.849 815 HZ2 LYS 99 2HZ LYS 99 -6.396 -4.820 18.472 816 HZ3 LYS 99 3HZ LYS 99 -5.117 -4.475 19.515 817 H ALA 100 H ALA 100 -5.860 -0.015 12.169 818 HA ALA 100 HA ALA 100 -8.455 0.613 11.069 819 HB1 ALA 100 1HB ALA 100 -6.588 2.156 10.870 820 HB2 ALA 100 2HB ALA 100 -7.087 1.614 9.275 821 HB3 ALA 100 3HB ALA 100 -5.633 0.940 10.015 822 H SER 101 H SER 101 -9.338 -1.467 10.830 823 HA SER 101 HA SER 101 -8.034 -3.388 8.979 824 HB2 SER 101 2HB SER 101 -10.122 -3.855 11.172 825 HB3 SER 101 1HB SER 101 -9.328 -5.104 10.201 826 HG SER 101 HG SER 101 -7.757 -3.285 11.631 827 H ASN 102 H ASN 102 -9.907 -4.950 8.111 828 HA ASN 102 HA ASN 102 -11.662 -3.413 6.440 829 HB2 ASN 102 2HB ASN 102 -10.649 -5.456 5.567 830 HB3 ASN 102 1HB ASN 102 -11.413 -6.419 6.823 831 HD21 ASN 102 1HD2 ASN 102 -11.933 -4.636 3.868 832 HD22 ASN 102 2HD2 ASN 102 -13.477 -5.313 3.507 833 H LYS 103 H LYS 103 -12.259 -5.940 8.910 834 HA LYS 103 HA LYS 103 -15.066 -5.682 8.980 835 HB2 LYS 103 2HB LYS 103 -13.868 -7.691 9.787 836 HB3 LYS 103 1HB LYS 103 -13.176 -6.767 11.116 837 HG2 LYS 103 2HG LYS 103 -15.421 -6.435 12.077 838 HG3 LYS 103 1HG LYS 103 -16.144 -7.308 10.726 839 HD2 LYS 103 2HD LYS 103 -15.993 -8.724 12.743 840 HD3 LYS 103 1HD LYS 103 -15.007 -9.382 11.437 841 HE2 LYS 103 2HE LYS 103 -12.980 -8.502 12.492 842 HE3 LYS 103 1HE LYS 103 -13.942 -7.724 13.751 843 HZ1 LYS 103 1HZ LYS 103 -13.876 -10.662 13.288 844 HZ2 LYS 103 2HZ LYS 103 -14.613 -9.852 14.575 845 HZ3 LYS 103 3HZ LYS 103 -12.929 -9.859 14.439 846 H ASN 104 H ASN 104 -12.535 -4.031 10.788 847 HA ASN 104 HA ASN 104 -14.508 -2.053 11.700 848 HB2 ASN 104 2HB ASN 104 -13.387 -1.921 13.949 849 HB3 ASN 104 1HB ASN 104 -14.226 -3.439 13.678 850 HD21 ASN 104 1HD2 ASN 104 -11.121 -1.942 14.163 851 HD22 ASN 104 2HD2 ASN 104 -10.229 -3.408 14.341 852 H LEU 105 H LEU 105 -13.835 -0.602 10.200 853 HA LEU 105 HA LEU 105 -11.141 0.120 9.685 854 HB2 LEU 105 2HB LEU 105 -12.675 0.671 7.947 855 HB3 LEU 105 1HB LEU 105 -13.853 1.322 9.062 856 HG LEU 105 HG LEU 105 -12.095 3.309 9.342 857 HD11 LEU 105 1HD1 LEU 105 -10.208 2.612 8.107 858 HD12 LEU 105 2HD1 LEU 105 -10.974 3.846 7.138 859 HD13 LEU 105 3HD1 LEU 105 -11.178 2.146 6.712 860 HD21 LEU 105 1HD2 LEU 105 -14.349 3.582 8.442 861 HD22 LEU 105 2HD2 LEU 105 -13.799 3.051 6.850 862 HD23 LEU 105 3HD2 LEU 105 -13.187 4.557 7.541 863 H GLY 106 H GLY 106 -9.844 1.604 10.670 864 HA2 GLY 106 2HA GLY 106 -9.034 3.117 12.164 865 HA3 GLY 106 1HA GLY 106 -10.651 3.798 12.245 866 H GLY 107 H GLY 107 -10.723 4.147 14.431 867 HA2 GLY 107 2HA GLY 107 -11.209 3.687 16.620 868 HA3 GLY 107 1HA GLY 107 -11.467 2.009 16.167 869 H GLY 108 H GLY 108 -8.600 4.087 15.940 870 HA2 GLY 108 2HA GLY 108 -6.829 2.054 16.916 871 HA3 GLY 108 1HA GLY 108 -6.414 3.710 16.521 872 H LEU 109 H LEU 109 -7.891 1.671 18.980 873 HA LEU 109 HA LEU 109 -7.826 3.548 21.117 874 HB2 LEU 109 2HB LEU 109 -7.823 0.499 21.195 875 HB3 LEU 109 1HB LEU 109 -8.109 1.536 22.584 876 HG LEU 109 HG LEU 109 -9.903 1.305 20.130 877 HD11 LEU 109 1HD1 LEU 109 -10.058 -0.640 21.606 878 HD12 LEU 109 2HD1 LEU 109 -11.542 0.306 21.653 879 HD13 LEU 109 3HD1 LEU 109 -10.389 0.408 22.988 880 HD21 LEU 109 1HD2 LEU 109 -11.479 2.784 21.311 881 HD22 LEU 109 2HD2 LEU 109 -9.959 3.604 20.963 882 HD23 LEU 109 3HD2 LEU 109 -10.295 3.032 22.598 883 H ILE 110 H ILE 110 -5.595 1.059 19.987 884 HA ILE 110 HA ILE 110 -3.343 2.505 21.270 885 HB ILE 110 HB ILE 110 -2.083 0.474 21.536 886 HG12 ILE 110 2HG1 ILE 110 -4.230 -0.978 19.907 887 HG13 ILE 110 1HG1 ILE 110 -2.587 -0.641 19.398 888 HG21 ILE 110 1HG2 ILE 110 -4.927 -0.197 22.397 889 HG22 ILE 110 2HG2 ILE 110 -3.737 0.705 23.340 890 HG23 ILE 110 3HG2 ILE 110 -3.471 -1.000 22.989 891 HD11 ILE 110 1HD1 ILE 110 -2.882 -2.976 19.947 892 HD12 ILE 110 2HD1 ILE 110 -3.394 -2.564 21.583 893 HD13 ILE 110 3HD1 ILE 110 -1.739 -2.230 21.061 894 H MET 111 H MET 111 -1.404 2.575 19.937 895 HA MET 111 HA MET 111 -1.857 2.163 17.035 896 HB2 MET 111 2HB MET 111 -0.234 4.341 18.406 897 HB3 MET 111 1HB MET 111 -0.186 4.027 16.676 898 HG2 MET 111 2HG MET 111 -2.616 4.516 16.544 899 HG3 MET 111 1HG MET 111 -2.599 4.903 18.266 900 HE1 MET 111 1HE MET 111 -1.315 5.933 14.694 901 HE2 MET 111 2HE MET 111 0.212 5.747 15.563 902 HE3 MET 111 3HE MET 111 -0.330 7.348 15.059 903 H SER 112 H SER 112 -0.070 1.136 19.701 904 HA SER 112 HA SER 112 1.749 -0.137 20.040 905 HB2 SER 112 2HB SER 112 0.511 -1.650 18.485 906 HB3 SER 112 1HB SER 112 1.393 -0.955 17.128 907 HG SER 112 HG SER 112 2.608 -2.258 19.347 908 H TRP 113 H TRP 113 3.014 1.766 20.377 909 HA TRP 113 HA TRP 113 4.632 2.861 18.212 910 HB2 TRP 113 2HB TRP 113 4.500 3.572 21.170 911 HB3 TRP 113 1HB TRP 113 5.446 4.446 19.969 912 HD1 TRP 113 HD1 TRP 113 1.807 3.895 21.090 913 HE1 TRP 113 HE1 TRP 113 0.339 5.729 20.055 914 HE3 TRP 113 HE3 TRP 113 5.245 6.080 17.993 915 HZ2 TRP 113 HZ2 TRP 113 0.579 7.812 18.188 916 HZ3 TRP 113 HZ3 TRP 113 4.549 7.992 16.612 917 HH2 TRP 113 HH2 TRP 113 2.257 8.845 16.708 918 H GLY 114 H GLY 114 6.020 1.198 17.628 919 HA2 GLY 114 2HA GLY 114 7.528 -0.398 19.475 920 HA3 GLY 114 1HA GLY 114 7.716 -0.362 17.727 921 H ARG 115 H ARG 115 8.153 2.607 17.832 922 HA ARG 115 HA ARG 115 11.046 2.570 18.293 923 HB2 ARG 115 2HB ARG 115 9.432 4.947 17.277 924 HB3 ARG 115 1HB ARG 115 11.128 4.575 16.988 925 HG2 ARG 115 2HG ARG 115 10.499 2.746 15.485 926 HG3 ARG 115 1HG ARG 115 8.792 3.013 15.849 927 HD2 ARG 115 2HD ARG 115 10.659 4.944 14.440 928 HD3 ARG 115 1HD ARG 115 9.346 4.018 13.709 929 HE ARG 115 HE ARG 115 8.708 5.948 15.846 930 HH11 ARG 115 1HH1 ARG 115 8.560 5.153 12.401 931 HH12 ARG 115 2HH1 ARG 115 7.382 6.375 12.062 932 HH21 ARG 115 1HH2 ARG 115 7.180 7.549 15.363 933 HH22 ARG 115 2HH2 ARG 115 6.594 7.742 13.736 934 H LEU 116 H LEU 116 8.510 2.996 20.281 935 HA LEU 116 HA LEU 116 7.858 4.108 22.100 936 HB2 LEU 116 2HB LEU 116 10.562 5.495 22.088 937 HB3 LEU 116 1HB LEU 116 9.385 5.594 23.388 938 HG LEU 116 HG LEU 116 10.867 3.078 22.513 939 HD11 LEU 116 1HD1 LEU 116 12.320 4.620 23.712 940 HD12 LEU 116 2HD1 LEU 116 11.971 3.205 24.700 941 HD13 LEU 116 3HD1 LEU 116 11.156 4.736 25.037 942 HD21 LEU 116 1HD2 LEU 116 9.833 1.970 24.446 943 HD22 LEU 116 2HD2 LEU 116 8.625 2.479 23.272 944 HD23 LEU 116 3HD2 LEU 116 8.852 3.403 24.761 945 H PHE 117 H PHE 117 9.701 6.471 20.153 946 HA PHE 117 HA PHE 117 7.230 8.068 19.773 947 HB2 PHE 117 2HB PHE 117 10.141 9.014 19.648 948 HB3 PHE 117 1HB PHE 117 8.725 10.024 19.380 949 HD1 PHE 117 HD1 PHE 117 10.894 8.505 21.900 950 HD2 PHE 117 HD2 PHE 117 7.175 10.545 21.302 951 HE1 PHE 117 HE1 PHE 117 10.779 9.011 24.305 952 HE2 PHE 117 HE2 PHE 117 7.074 11.048 23.710 953 HZ PHE 117 HZ PHE 117 8.872 10.281 25.212 Start of MODEL 8 1 H1 MET 1 1H MET 1 -3.022 35.469 8.650 2 H2 MET 1 2H MET 1 -3.613 33.891 8.672 3 H3 MET 1 3H MET 1 -4.390 35.099 9.566 4 HA MET 1 HA MET 1 -5.606 34.552 7.557 5 HB2 MET 1 2HB MET 1 -4.339 37.329 7.537 6 HB3 MET 1 1HB MET 1 -5.817 36.893 6.686 7 HG2 MET 1 2HG MET 1 -6.903 36.395 8.863 8 HG3 MET 1 1HG MET 1 -5.428 36.903 9.696 9 HE1 MET 1 1HE MET 1 -6.693 38.720 11.169 10 HE2 MET 1 2HE MET 1 -8.225 38.205 10.459 11 HE3 MET 1 3HE MET 1 -7.801 39.915 10.498 12 H SER 2 H SER 2 -5.534 35.475 5.106 13 HA SER 2 HA SER 2 -2.913 34.969 3.836 14 HB2 SER 2 2HB SER 2 -4.042 33.643 2.071 15 HB3 SER 2 1HB SER 2 -4.277 32.893 3.645 16 HG SER 2 HG SER 2 -6.141 34.428 2.149 17 H GLY 3 H GLY 3 -3.510 35.461 1.242 18 HA2 GLY 3 2HA GLY 3 -3.541 38.226 0.981 19 HA3 GLY 3 1HA GLY 3 -3.856 37.097 -0.319 20 H SER 4 H SER 4 -6.231 36.009 0.221 21 HA SER 4 HA SER 4 -8.180 38.239 0.293 22 HB2 SER 4 2HB SER 4 -9.775 36.521 -0.627 23 HB3 SER 4 1HB SER 4 -8.350 36.725 -1.647 24 HG SER 4 HG SER 4 -7.479 34.869 -0.677 25 H HIS 5 H HIS 5 -10.138 37.953 1.577 26 HA HIS 5 HA HIS 5 -9.622 37.287 4.288 27 HB2 HIS 5 2HB HIS 5 -11.230 39.090 3.546 28 HB3 HIS 5 1HB HIS 5 -12.344 37.845 2.987 29 HD1 HIS 5 HD1 HIS 5 -13.656 36.519 4.814 30 HD2 HIS 5 HD2 HIS 5 -11.117 39.438 6.341 31 HE1 HIS 5 HE1 HIS 5 -14.244 36.723 7.241 32 HE2 HIS 5 HE2 HIS 5 -12.735 38.534 8.128 33 H HIS 6 H HIS 6 -10.364 35.597 5.539 34 HA HIS 6 HA HIS 6 -10.456 33.035 4.349 35 HB2 HIS 6 2HB HIS 6 -9.495 33.597 6.614 36 HB3 HIS 6 1HB HIS 6 -11.128 33.820 7.225 37 HD1 HIS 6 HD1 HIS 6 -12.449 31.723 7.822 38 HD2 HIS 6 HD2 HIS 6 -8.773 30.893 6.104 39 HE1 HIS 6 HE1 HIS 6 -12.098 29.267 8.139 40 HE2 HIS 6 HE2 HIS 6 -9.780 28.844 7.283 41 H HIS 7 H HIS 7 -12.207 32.347 3.218 42 HA HIS 7 HA HIS 7 -14.951 33.126 4.016 43 HB2 HIS 7 2HB HIS 7 -13.988 31.951 1.368 44 HB3 HIS 7 1HB HIS 7 -15.615 32.526 1.712 45 HD1 HIS 7 HD1 HIS 7 -12.946 33.508 -0.198 46 HD2 HIS 7 HD2 HIS 7 -15.190 35.523 2.652 47 HE1 HIS 7 HE1 HIS 7 -12.652 35.940 -0.707 48 HE2 HIS 7 HE2 HIS 7 -14.007 37.139 1.034 49 H HIS 8 H HIS 8 -15.164 31.511 5.703 50 HA HIS 8 HA HIS 8 -16.166 28.972 4.641 51 HB2 HIS 8 2HB HIS 8 -14.008 29.053 6.823 52 HB3 HIS 8 1HB HIS 8 -15.049 27.659 6.570 53 HD1 HIS 8 HD1 HIS 8 -14.634 26.231 4.436 54 HD2 HIS 8 HD2 HIS 8 -11.937 29.340 4.940 55 HE1 HIS 8 HE1 HIS 8 -12.760 25.763 2.851 56 HE2 HIS 8 HE2 HIS 8 -11.045 27.529 3.348 57 H HIS 9 H HIS 9 -17.918 30.743 5.236 58 HA HIS 9 HA HIS 9 -18.742 30.908 7.969 59 HB2 HIS 9 2HB HIS 9 -20.866 31.805 7.142 60 HB3 HIS 9 1HB HIS 9 -19.534 32.531 6.264 61 HD1 HIS 9 HD1 HIS 9 -22.645 30.595 5.816 62 HD2 HIS 9 HD2 HIS 9 -19.391 31.661 3.479 63 HE1 HIS 9 HE1 HIS 9 -23.368 30.243 3.446 64 HE2 HIS 9 HE2 HIS 9 -21.314 30.714 2.079 65 H HIS 10 H HIS 10 -19.169 29.140 9.118 66 HA HIS 10 HA HIS 10 -19.444 27.002 9.742 67 HB2 HIS 10 2HB HIS 10 -21.612 26.911 7.587 68 HB3 HIS 10 1HB HIS 10 -21.385 25.689 8.836 69 HD1 HIS 10 HD1 HIS 10 -23.236 28.709 8.145 70 HD2 HIS 10 HD2 HIS 10 -21.767 26.838 11.544 71 HE1 HIS 10 HE1 HIS 10 -24.533 29.672 10.059 72 HE2 HIS 10 HE2 HIS 10 -23.721 28.417 12.079 73 H SER 11 H SER 11 -17.530 26.081 9.268 74 HA SER 11 HA SER 11 -16.384 25.767 6.716 75 HB2 SER 11 2HB SER 11 -15.680 24.336 9.310 76 HB3 SER 11 1HB SER 11 -14.616 24.549 7.917 77 HG SER 11 HG SER 11 -14.262 26.564 8.491 78 H SER 12 H SER 12 -17.920 24.670 5.443 79 HA SER 12 HA SER 12 -17.832 21.757 5.439 80 HB2 SER 12 2HB SER 12 -20.471 23.297 5.679 81 HB3 SER 12 1HB SER 12 -20.345 21.579 5.286 82 HG SER 12 HG SER 12 -18.970 21.714 7.412 83 H GLY 13 H GLY 13 -17.394 21.242 3.364 84 HA2 GLY 13 2HA GLY 13 -18.009 23.041 1.142 85 HA3 GLY 13 1HA GLY 13 -17.089 21.544 1.078 86 H ILE 14 H ILE 14 -18.438 19.534 1.606 87 HA ILE 14 HA ILE 14 -21.210 19.444 1.009 88 HB ILE 14 HB ILE 14 -20.563 19.930 -1.286 89 HG12 ILE 14 2HG1 ILE 14 -21.313 16.977 -1.009 90 HG13 ILE 14 1HG1 ILE 14 -22.414 18.347 -1.011 91 HG21 ILE 14 1HG2 ILE 14 -18.218 19.320 -1.272 92 HG22 ILE 14 2HG2 ILE 14 -19.025 18.541 -2.632 93 HG23 ILE 14 3HG2 ILE 14 -18.619 17.602 -1.191 94 HD11 ILE 14 1HD1 ILE 14 -22.461 17.205 -3.123 95 HD12 ILE 14 2HD1 ILE 14 -20.729 17.448 -3.343 96 HD13 ILE 14 3HD1 ILE 14 -21.826 18.835 -3.326 97 H GLU 15 H GLU 15 -21.925 17.710 2.042 98 HA GLU 15 HA GLU 15 -21.135 15.075 1.760 99 HB2 GLU 15 2HB GLU 15 -20.065 14.427 3.855 100 HB3 GLU 15 1HB GLU 15 -19.090 15.680 3.098 101 HG2 GLU 15 2HG GLU 15 -20.028 17.352 4.661 102 HG3 GLU 15 1HG GLU 15 -20.998 16.095 5.424 103 H GLY 16 H GLY 16 -22.809 13.841 2.413 104 HA2 GLY 16 2HA GLY 16 -24.793 14.914 4.360 105 HA3 GLY 16 1HA GLY 16 -25.134 13.734 3.093 106 H ARG 17 H ARG 17 -22.933 12.084 3.355 107 HA ARG 17 HA ARG 17 -23.602 10.505 5.707 108 HB2 ARG 17 2HB ARG 17 -21.702 10.025 3.364 109 HB3 ARG 17 1HB ARG 17 -21.839 8.910 4.716 110 HG2 ARG 17 2HG ARG 17 -23.144 8.043 2.914 111 HG3 ARG 17 1HG ARG 17 -24.252 8.597 4.165 112 HD2 ARG 17 2HD ARG 17 -24.739 10.631 2.847 113 HD3 ARG 17 1HD ARG 17 -23.584 10.116 1.611 114 HE ARG 17 HE ARG 17 -25.387 8.041 1.901 115 HH11 ARG 17 1HH1 ARG 17 -25.581 11.406 0.884 116 HH12 ARG 17 2HH1 ARG 17 -26.939 11.127 -0.154 117 HH21 ARG 17 1HH2 ARG 17 -27.153 7.716 0.539 118 HH22 ARG 17 2HH2 ARG 17 -27.823 9.043 -0.351 119 H GLY 18 H GLY 18 -21.866 9.620 7.085 120 HA2 GLY 18 2HA GLY 18 -20.467 11.662 8.428 121 HA3 GLY 18 1HA GLY 18 -20.303 9.937 8.716 122 H ARG 19 H ARG 19 -18.544 12.529 8.026 123 HA ARG 19 HA ARG 19 -16.971 12.101 5.796 124 HB2 ARG 19 2HB ARG 19 -17.002 14.156 7.198 125 HB3 ARG 19 1HB ARG 19 -16.140 13.300 8.473 126 HG2 ARG 19 2HG ARG 19 -14.201 13.014 6.896 127 HG3 ARG 19 1HG ARG 19 -15.081 13.978 5.705 128 HD2 ARG 19 2HD ARG 19 -14.212 14.926 8.457 129 HD3 ARG 19 1HD ARG 19 -13.434 15.336 6.927 130 HE ARG 19 HE ARG 19 -16.089 16.062 6.672 131 HH11 ARG 19 1HH1 ARG 19 -13.399 17.034 8.715 132 HH12 ARG 19 2HH1 ARG 19 -13.994 18.650 8.915 133 HH21 ARG 19 1HH2 ARG 19 -16.820 18.182 6.922 134 HH22 ARG 19 2HH2 ARG 19 -15.921 19.298 7.902 135 H MET 20 H MET 20 -16.326 11.094 9.133 136 HA MET 20 HA MET 20 -13.913 9.654 8.548 137 HB2 MET 20 2HB MET 20 -15.651 9.672 11.054 138 HB3 MET 20 1HB MET 20 -14.048 8.954 10.944 139 HG2 MET 20 2HG MET 20 -13.897 11.097 12.046 140 HG3 MET 20 1HG MET 20 -13.099 11.196 10.476 141 HE1 MET 20 1HE MET 20 -13.154 13.871 10.958 142 HE2 MET 20 2HE MET 20 -14.201 13.774 12.378 143 HE3 MET 20 3HE MET 20 -14.643 14.815 11.025 144 H LYS 21 H LYS 21 -17.318 8.800 8.919 145 HA LYS 21 HA LYS 21 -17.167 5.989 9.024 146 HB2 LYS 21 2HB LYS 21 -19.244 7.238 9.465 147 HB3 LYS 21 1HB LYS 21 -19.304 7.790 7.797 148 HG2 LYS 21 2HG LYS 21 -19.684 5.455 7.041 149 HG3 LYS 21 1HG LYS 21 -19.606 4.902 8.714 150 HD2 LYS 21 2HD LYS 21 -21.698 6.790 7.555 151 HD3 LYS 21 1HD LYS 21 -21.948 5.089 7.944 152 HE2 LYS 21 2HE LYS 21 -21.507 5.605 10.350 153 HE3 LYS 21 1HE LYS 21 -21.330 7.310 9.929 154 HZ1 LYS 21 1HZ LYS 21 -23.526 7.026 10.692 155 HZ2 LYS 21 2HZ LYS 21 -23.781 5.649 9.751 156 HZ3 LYS 21 3HZ LYS 21 -23.648 7.163 9.011 157 H LYS 22 H LYS 22 -17.135 8.246 6.312 158 HA LYS 22 HA LYS 22 -16.867 6.221 4.252 159 HB2 LYS 22 2HB LYS 22 -16.478 9.247 4.131 160 HB3 LYS 22 1HB LYS 22 -16.538 8.176 2.735 161 HG2 LYS 22 2HG LYS 22 -18.870 7.659 3.161 162 HG3 LYS 22 1HG LYS 22 -18.843 8.577 4.671 163 HD2 LYS 22 2HD LYS 22 -18.379 9.760 1.904 164 HD3 LYS 22 1HD LYS 22 -19.911 9.827 2.777 165 HE2 LYS 22 2HE LYS 22 -18.858 11.166 4.556 166 HE3 LYS 22 1HE LYS 22 -17.294 11.044 3.744 167 HZ1 LYS 22 1HZ LYS 22 -18.197 13.128 3.205 168 HZ2 LYS 22 2HZ LYS 22 -19.703 12.482 2.801 169 HZ3 LYS 22 3HZ LYS 22 -18.365 12.178 1.815 170 H LYS 23 H LYS 23 -14.747 9.041 4.630 171 HA LYS 23 HA LYS 23 -12.349 7.380 4.908 172 HB2 LYS 23 2HB LYS 23 -12.702 9.446 2.679 173 HB3 LYS 23 1HB LYS 23 -11.224 8.554 3.035 174 HG2 LYS 23 2HG LYS 23 -12.385 6.433 2.446 175 HG3 LYS 23 1HG LYS 23 -13.834 7.348 2.045 176 HD2 LYS 23 2HD LYS 23 -11.147 7.645 0.643 177 HD3 LYS 23 1HD LYS 23 -12.485 6.659 0.054 178 HE2 LYS 23 2HE LYS 23 -12.541 8.724 -1.162 179 HE3 LYS 23 1HE LYS 23 -13.889 8.769 -0.031 180 HZ1 LYS 23 1HZ LYS 23 -11.273 10.045 0.529 181 HZ2 LYS 23 2HZ LYS 23 -12.741 10.291 1.334 182 HZ3 LYS 23 3HZ LYS 23 -12.534 10.848 -0.247 183 H GLN 24 H GLN 24 -11.431 8.203 6.654 184 HA GLN 24 HA GLN 24 -11.743 10.780 7.777 185 HB2 GLN 24 2HB GLN 24 -9.414 8.825 8.090 186 HB3 GLN 24 1HB GLN 24 -9.796 10.134 9.203 187 HG2 GLN 24 2HG GLN 24 -11.764 9.034 9.973 188 HG3 GLN 24 1HG GLN 24 -11.706 7.846 8.669 189 HE21 GLN 24 1HE2 GLN 24 -9.965 6.305 8.694 190 HE22 GLN 24 2HE2 GLN 24 -9.232 5.845 10.182 191 H ILE 25 H ILE 25 -10.580 12.684 7.412 192 HA ILE 25 HA ILE 25 -9.310 12.947 4.863 193 HB ILE 25 HB ILE 25 -9.440 15.082 7.058 194 HG12 ILE 25 2HG1 ILE 25 -11.783 14.618 6.442 195 HG13 ILE 25 1HG1 ILE 25 -11.320 16.149 5.752 196 HG21 ILE 25 1HG2 ILE 25 -8.996 16.720 5.238 197 HG22 ILE 25 2HG2 ILE 25 -8.839 15.393 4.087 198 HG23 ILE 25 3HG2 ILE 25 -7.681 15.554 5.408 199 HD11 ILE 25 1HD1 ILE 25 -11.751 13.539 4.334 200 HD12 ILE 25 2HD1 ILE 25 -10.984 14.935 3.567 201 HD13 ILE 25 3HD1 ILE 25 -12.635 15.052 4.169 202 H GLU 26 H GLU 26 -8.194 13.213 8.240 203 HA GLU 26 HA GLU 26 -5.485 13.792 7.702 204 HB2 GLU 26 2HB GLU 26 -6.583 14.174 9.904 205 HB3 GLU 26 1HB GLU 26 -6.676 12.433 10.159 206 HG2 GLU 26 2HG GLU 26 -4.203 12.300 10.135 207 HG3 GLU 26 1HG GLU 26 -4.113 14.044 9.881 208 H PHE 27 H PHE 27 -7.137 10.682 8.378 209 HA PHE 27 HA PHE 27 -4.813 9.073 8.395 210 HB2 PHE 27 2HB PHE 27 -7.110 8.418 9.331 211 HB3 PHE 27 1HB PHE 27 -7.603 8.067 7.678 212 HD1 PHE 27 HD1 PHE 27 -6.605 6.084 6.460 213 HD2 PHE 27 HD2 PHE 27 -5.535 6.985 10.509 214 HE1 PHE 27 HE1 PHE 27 -5.547 3.868 6.693 215 HE2 PHE 27 HE2 PHE 27 -4.492 4.777 10.705 216 HZ PHE 27 HZ PHE 27 -4.488 3.225 8.806 217 H GLU 28 H GLU 28 -7.071 9.978 5.814 218 HA GLU 28 HA GLU 28 -6.032 8.270 3.791 219 HB2 GLU 28 2HB GLU 28 -8.282 9.271 3.589 220 HB3 GLU 28 1HB GLU 28 -7.580 10.880 3.501 221 HG2 GLU 28 2HG GLU 28 -6.457 10.294 1.392 222 HG3 GLU 28 1HG GLU 28 -7.113 8.664 1.481 223 H ASN 29 H ASN 29 -5.340 11.580 4.852 224 HA ASN 29 HA ASN 29 -3.496 12.275 2.816 225 HB2 ASN 29 2HB ASN 29 -3.969 13.406 5.596 226 HB3 ASN 29 1HB ASN 29 -2.669 14.006 4.573 227 HD21 ASN 29 1HD2 ASN 29 -3.700 16.052 4.602 228 HD22 ASN 29 2HD2 ASN 29 -5.076 16.374 3.615 229 H GLU 30 H GLU 30 -3.133 10.576 5.879 230 HA GLU 30 HA GLU 30 -0.248 10.742 6.014 231 HB2 GLU 30 2HB GLU 30 -2.321 9.140 7.563 232 HB3 GLU 30 1HB GLU 30 -0.600 8.873 7.809 233 HG2 GLU 30 2HG GLU 30 -2.076 11.489 8.295 234 HG3 GLU 30 1HG GLU 30 -1.529 10.357 9.525 235 H LEU 31 H LEU 31 -2.587 8.260 5.068 236 HA LEU 31 HA LEU 31 -0.713 6.197 4.430 237 HB2 LEU 31 2HB LEU 31 -3.051 5.478 4.666 238 HB3 LEU 31 1HB LEU 31 -3.570 6.601 3.431 239 HG LEU 31 HG LEU 31 -1.997 5.050 1.846 240 HD11 LEU 31 1HD1 LEU 31 -1.244 3.445 3.537 241 HD12 LEU 31 2HD1 LEU 31 -2.195 2.675 2.290 242 HD13 LEU 31 3HD1 LEU 31 -2.919 2.986 3.863 243 HD21 LEU 31 1HD2 LEU 31 -4.871 4.331 2.524 244 HD22 LEU 31 2HD2 LEU 31 -3.975 3.758 1.120 245 HD23 LEU 31 3HD2 LEU 31 -4.318 5.472 1.285 246 H ARG 32 H ARG 32 -2.354 8.628 2.436 247 HA ARG 32 HA ARG 32 -1.272 7.803 -0.046 248 HB2 ARG 32 2HB ARG 32 -3.439 9.102 0.326 249 HB3 ARG 32 1HB ARG 32 -2.447 10.535 0.556 250 HG2 ARG 32 2HG ARG 32 -1.632 10.404 -1.717 251 HG3 ARG 32 1HG ARG 32 -2.409 8.846 -1.958 252 HD2 ARG 32 2HD ARG 32 -4.617 9.928 -1.759 253 HD3 ARG 32 1HD ARG 32 -3.831 11.493 -1.522 254 HE ARG 32 HE ARG 32 -2.959 11.317 -3.782 255 HH11 ARG 32 1HH1 ARG 32 -5.575 9.085 -3.050 256 HH12 ARG 32 2HH1 ARG 32 -6.011 8.872 -4.716 257 HH21 ARG 32 1HH2 ARG 32 -3.547 10.997 -5.963 258 HH22 ARG 32 2HH2 ARG 32 -4.874 9.941 -6.340 259 H SER 33 H SER 33 -0.166 10.004 2.453 260 HA SER 33 HA SER 33 1.759 11.468 0.943 261 HB2 SER 33 2HB SER 33 0.810 12.213 3.145 262 HB3 SER 33 1HB SER 33 1.746 10.957 3.947 263 HG SER 33 HG SER 33 2.688 13.229 2.534 264 H MET 34 H MET 34 2.039 8.564 3.043 265 HA MET 34 HA MET 34 4.896 8.261 2.612 266 HB2 MET 34 2HB MET 34 2.867 6.260 3.722 267 HB3 MET 34 1HB MET 34 4.598 5.974 3.660 268 HG2 MET 34 2HG MET 34 4.912 7.925 5.213 269 HG3 MET 34 1HG MET 34 3.154 8.022 5.365 270 HE1 MET 34 1HE MET 34 2.387 4.872 5.231 271 HE2 MET 34 2HE MET 34 1.654 5.997 6.378 272 HE3 MET 34 3HE MET 34 2.357 4.485 6.950 273 H LEU 35 H LEU 35 1.977 7.120 1.094 274 HA LEU 35 HA LEU 35 3.139 5.010 -0.458 275 HB2 LEU 35 2HB LEU 35 0.586 5.456 0.046 276 HB3 LEU 35 1HB LEU 35 0.655 6.548 -1.317 277 HG LEU 35 HG LEU 35 1.240 3.559 -1.551 278 HD11 LEU 35 1HD1 LEU 35 -1.040 3.863 -0.729 279 HD12 LEU 35 2HD1 LEU 35 -1.021 3.255 -2.378 280 HD13 LEU 35 3HD1 LEU 35 -1.398 4.953 -2.070 281 HD21 LEU 35 1HD2 LEU 35 0.579 5.635 -3.674 282 HD22 LEU 35 2HD2 LEU 35 0.794 3.908 -3.958 283 HD23 LEU 35 3HD2 LEU 35 2.152 4.882 -3.411 284 H ALA 36 H ALA 36 2.533 8.474 -1.030 285 HA ALA 36 HA ALA 36 3.422 8.819 -3.641 286 HB1 ALA 36 1HB ALA 36 3.806 10.714 -1.290 287 HB2 ALA 36 2HB ALA 36 2.405 10.642 -2.351 288 HB3 ALA 36 3HB ALA 36 3.956 11.155 -2.996 289 H THR 37 H THR 37 5.277 8.913 -0.606 290 HA THR 37 HA THR 37 7.833 9.428 -1.580 291 HB THR 37 HB THR 37 7.064 7.769 0.862 292 HG1 THR 37 HG1 THR 37 7.225 10.555 0.385 293 HG21 THR 37 1HG2 THR 37 9.608 9.360 0.314 294 HG22 THR 37 2HG2 THR 37 9.490 7.596 0.350 295 HG23 THR 37 3HG2 THR 37 9.214 8.536 1.819 296 H ALA 38 H ALA 38 6.160 6.320 -1.028 297 HA ALA 38 HA ALA 38 8.319 4.624 -1.787 298 HB1 ALA 38 1HB ALA 38 6.615 2.817 -1.808 299 HB2 ALA 38 2HB ALA 38 5.346 4.026 -1.618 300 HB3 ALA 38 3HB ALA 38 6.539 3.805 -0.346 301 H LEU 39 H LEU 39 5.835 6.302 -3.686 302 HA LEU 39 HA LEU 39 6.294 4.845 -6.129 303 HB2 LEU 39 2HB LEU 39 5.223 7.678 -5.820 304 HB3 LEU 39 1HB LEU 39 5.150 6.729 -7.289 305 HG LEU 39 HG LEU 39 3.631 6.019 -4.746 306 HD11 LEU 39 1HD1 LEU 39 1.621 6.895 -5.815 307 HD12 LEU 39 2HD1 LEU 39 2.595 7.492 -7.163 308 HD13 LEU 39 3HD1 LEU 39 2.827 8.151 -5.540 309 HD21 LEU 39 1HD2 LEU 39 3.860 4.025 -6.066 310 HD22 LEU 39 2HD2 LEU 39 3.452 4.889 -7.550 311 HD23 LEU 39 3HD2 LEU 39 2.225 4.621 -6.311 312 H GLU 40 H GLU 40 7.912 7.528 -4.545 313 HA GLU 40 HA GLU 40 9.637 8.093 -6.839 314 HB2 GLU 40 2HB GLU 40 9.682 9.173 -3.981 315 HB3 GLU 40 1HB GLU 40 10.778 9.689 -5.264 316 HG2 GLU 40 2HG GLU 40 7.776 10.077 -5.155 317 HG3 GLU 40 1HG GLU 40 9.020 11.319 -5.028 318 H LYS 41 H LYS 41 9.674 6.129 -3.950 319 HA LYS 41 HA LYS 41 12.489 5.482 -4.042 320 HB2 LYS 41 2HB LYS 41 10.154 4.112 -2.636 321 HB3 LYS 41 1HB LYS 41 11.838 3.633 -2.440 322 HG2 LYS 41 2HG LYS 41 10.616 6.293 -1.670 323 HG3 LYS 41 1HG LYS 41 11.069 4.979 -0.567 324 HD2 LYS 41 2HD LYS 41 13.484 5.251 -1.267 325 HD3 LYS 41 1HD LYS 41 13.025 6.557 -2.344 326 HE2 LYS 41 2HE LYS 41 12.451 7.978 -0.349 327 HE3 LYS 41 1HE LYS 41 12.946 6.657 0.724 328 HZ1 LYS 41 1HZ LYS 41 14.667 8.060 -1.231 329 HZ2 LYS 41 2HZ LYS 41 15.154 6.792 -0.226 330 HZ3 LYS 41 3HZ LYS 41 14.674 8.270 0.444 331 H ASP 42 H ASP 42 13.417 3.482 -4.752 332 HA ASP 42 HA ASP 42 12.350 2.352 -7.163 333 HB2 ASP 42 2HB ASP 42 14.691 1.528 -5.373 334 HB3 ASP 42 1HB ASP 42 14.315 0.718 -6.889 335 H ILE 43 H ILE 43 10.498 1.105 -7.026 336 HA ILE 43 HA ILE 43 10.315 -0.884 -4.827 337 HB ILE 43 HB ILE 43 7.844 -0.760 -4.977 338 HG12 ILE 43 2HG1 ILE 43 8.277 1.610 -6.860 339 HG13 ILE 43 1HG1 ILE 43 7.508 0.081 -7.272 340 HG21 ILE 43 1HG2 ILE 43 9.047 0.509 -3.279 341 HG22 ILE 43 2HG2 ILE 43 7.594 1.366 -3.782 342 HG23 ILE 43 3HG2 ILE 43 9.173 1.891 -4.370 343 HD11 ILE 43 1HD1 ILE 43 5.836 1.800 -6.935 344 HD12 ILE 43 2HD1 ILE 43 6.445 2.135 -5.319 345 HD13 ILE 43 3HD1 ILE 43 5.692 0.576 -5.676 346 H SER 44 H SER 44 9.224 -2.805 -5.210 347 HA SER 44 HA SER 44 10.146 -4.169 -7.564 348 HB2 SER 44 2HB SER 44 8.329 -5.252 -5.340 349 HB3 SER 44 1HB SER 44 9.367 -6.192 -6.419 350 HG SER 44 HG SER 44 10.872 -4.355 -5.207 351 H GLN 45 H GLN 45 8.869 -5.155 -9.245 352 HA GLN 45 HA GLN 45 6.995 -3.540 -10.413 353 HB2 GLN 45 2HB GLN 45 8.304 -5.075 -11.723 354 HB3 GLN 45 1HB GLN 45 7.590 -6.467 -10.923 355 HG2 GLN 45 2HG GLN 45 5.409 -5.981 -11.986 356 HG3 GLN 45 1HG GLN 45 6.114 -4.565 -12.775 357 HE21 GLN 45 1HE2 GLN 45 6.176 -8.064 -12.593 358 HE22 GLN 45 2HE2 GLN 45 6.862 -8.326 -14.160 359 H GLU 46 H GLU 46 6.253 -6.418 -8.431 360 HA GLU 46 HA GLU 46 3.433 -6.428 -9.071 361 HB2 GLU 46 2HB GLU 46 5.230 -8.125 -7.316 362 HB3 GLU 46 1HB GLU 46 3.485 -8.240 -7.128 363 HG2 GLU 46 2HG GLU 46 4.565 -9.981 -8.628 364 HG3 GLU 46 1HG GLU 46 3.176 -9.125 -9.291 365 H GLU 47 H GLU 47 5.432 -4.950 -6.815 366 HA GLU 47 HA GLU 47 3.422 -4.477 -4.770 367 HB2 GLU 47 2HB GLU 47 5.823 -5.009 -4.187 368 HB3 GLU 47 1HB GLU 47 6.343 -3.558 -4.999 369 HG2 GLU 47 2HG GLU 47 4.431 -3.210 -2.714 370 HG3 GLU 47 1HG GLU 47 6.051 -3.755 -2.326 371 H ARG 48 H ARG 48 5.157 -2.841 -7.363 372 HA ARG 48 HA ARG 48 4.084 -0.245 -7.153 373 HB2 ARG 48 2HB ARG 48 6.062 -0.820 -8.559 374 HB3 ARG 48 1HB ARG 48 4.999 -1.718 -9.641 375 HG2 ARG 48 2HG ARG 48 3.796 0.369 -10.188 376 HG3 ARG 48 1HG ARG 48 4.866 1.260 -9.106 377 HD2 ARG 48 2HD ARG 48 5.521 1.517 -11.477 378 HD3 ARG 48 1HD ARG 48 6.788 0.737 -10.525 379 HE ARG 48 HE ARG 48 4.911 -0.870 -12.146 380 HH11 ARG 48 1HH1 ARG 48 8.207 0.120 -11.437 381 HH12 ARG 48 2HH1 ARG 48 8.926 -1.079 -12.463 382 HH21 ARG 48 1HH2 ARG 48 5.867 -2.464 -13.482 383 HH22 ARG 48 2HH2 ARG 48 7.594 -2.543 -13.621 384 H ASN 49 H ASN 49 3.048 -3.220 -8.831 385 HA ASN 49 HA ASN 49 0.682 -2.308 -10.042 386 HB2 ASN 49 2HB ASN 49 1.302 -5.082 -8.932 387 HB3 ASN 49 1HB ASN 49 -0.159 -4.721 -9.846 388 HD21 ASN 49 1HD2 ASN 49 1.548 -6.675 -10.664 389 HD22 ASN 49 2HD2 ASN 49 2.351 -6.205 -12.113 390 H ALA 50 H ALA 50 1.248 -3.619 -6.767 391 HA ALA 50 HA ALA 50 -1.409 -3.674 -5.839 392 HB1 ALA 50 1HB ALA 50 -0.423 -3.885 -3.590 393 HB2 ALA 50 2HB ALA 50 1.143 -3.357 -4.213 394 HB3 ALA 50 3HB ALA 50 0.453 -4.889 -4.751 395 H LEU 51 H LEU 51 1.089 -1.091 -5.493 396 HA LEU 51 HA LEU 51 -0.669 0.625 -3.965 397 HB2 LEU 51 2HB LEU 51 1.999 1.355 -5.221 398 HB3 LEU 51 1HB LEU 51 1.128 2.296 -4.035 399 HG LEU 51 HG LEU 51 2.635 -0.304 -3.590 400 HD11 LEU 51 1HD1 LEU 51 4.017 1.709 -3.649 401 HD12 LEU 51 2HD1 LEU 51 3.969 1.042 -2.023 402 HD13 LEU 51 3HD1 LEU 51 3.010 2.472 -2.417 403 HD21 LEU 51 1HD2 LEU 51 2.038 -0.074 -1.156 404 HD22 LEU 51 2HD2 LEU 51 0.721 -0.592 -2.184 405 HD23 LEU 51 3HD2 LEU 51 0.786 1.083 -1.619 406 H ASN 52 H ASN 52 0.116 0.326 -7.375 407 HA ASN 52 HA ASN 52 -1.077 2.777 -8.222 408 HB2 ASN 52 2HB ASN 52 -0.406 0.214 -9.690 409 HB3 ASN 52 1HB ASN 52 -1.375 1.450 -10.487 410 HD21 ASN 52 1HD2 ASN 52 0.178 1.871 -12.037 411 HD22 ASN 52 2HD2 ASN 52 1.653 2.699 -11.676 412 H ILE 53 H ILE 53 -2.268 -0.525 -7.849 413 HA ILE 53 HA ILE 53 -4.960 -0.094 -8.657 414 HB ILE 53 HB ILE 53 -3.709 -2.245 -6.890 415 HG12 ILE 53 2HG1 ILE 53 -4.797 -2.422 -9.748 416 HG13 ILE 53 1HG1 ILE 53 -3.101 -2.265 -9.326 417 HG21 ILE 53 1HG2 ILE 53 -5.833 -3.543 -7.044 418 HG22 ILE 53 2HG2 ILE 53 -6.615 -2.156 -7.807 419 HG23 ILE 53 3HG2 ILE 53 -6.037 -2.040 -6.146 420 HD11 ILE 53 1HD1 ILE 53 -3.183 -4.430 -8.183 421 HD12 ILE 53 2HD1 ILE 53 -3.601 -4.538 -9.890 422 HD13 ILE 53 3HD1 ILE 53 -4.873 -4.613 -8.670 423 H ALA 54 H ALA 54 -3.208 0.239 -5.616 424 HA ALA 54 HA ALA 54 -5.348 0.593 -3.817 425 HB1 ALA 54 1HB ALA 54 -3.693 1.524 -2.277 426 HB2 ALA 54 2HB ALA 54 -2.550 1.760 -3.602 427 HB3 ALA 54 3HB ALA 54 -3.006 0.131 -3.117 428 H GLU 55 H GLU 55 -3.315 3.044 -5.495 429 HA GLU 55 HA GLU 55 -4.635 5.283 -4.326 430 HB2 GLU 55 2HB GLU 55 -2.343 5.552 -5.017 431 HB3 GLU 55 1HB GLU 55 -2.719 5.110 -6.677 432 HG2 GLU 55 2HG GLU 55 -3.955 7.167 -7.028 433 HG3 GLU 55 1HG GLU 55 -3.845 7.588 -5.320 434 H LYS 56 H LYS 56 -4.869 3.764 -7.567 435 HA LYS 56 HA LYS 56 -6.673 5.676 -8.675 436 HB2 LYS 56 2HB LYS 56 -6.189 2.775 -9.446 437 HB3 LYS 56 1HB LYS 56 -7.257 3.834 -10.350 438 HG2 LYS 56 2HG LYS 56 -4.263 4.219 -9.978 439 HG3 LYS 56 1HG LYS 56 -5.068 3.633 -11.430 440 HD2 LYS 56 2HD LYS 56 -6.208 5.821 -11.689 441 HD3 LYS 56 1HD LYS 56 -5.427 6.407 -10.217 442 HE2 LYS 56 2HE LYS 56 -3.209 6.079 -11.312 443 HE3 LYS 56 1HE LYS 56 -4.037 5.606 -12.797 444 HZ1 LYS 56 1HZ LYS 56 -4.359 8.235 -11.455 445 HZ2 LYS 56 2HZ LYS 56 -4.990 7.778 -12.959 446 HZ3 LYS 56 3HZ LYS 56 -3.321 7.945 -12.756 447 H ALA 57 H ALA 57 -7.125 2.853 -6.661 448 HA ALA 57 HA ALA 57 -9.981 2.700 -6.888 449 HB1 ALA 57 1HB ALA 57 -8.737 0.706 -6.292 450 HB2 ALA 57 2HB ALA 57 -9.783 1.159 -4.940 451 HB3 ALA 57 3HB ALA 57 -8.064 1.510 -4.875 452 H LEU 58 H LEU 58 -7.700 4.304 -4.599 453 HA LEU 58 HA LEU 58 -9.574 5.189 -2.661 454 HB2 LEU 58 2HB LEU 58 -7.177 6.848 -3.557 455 HB3 LEU 58 1HB LEU 58 -8.000 6.955 -2.012 456 HG LEU 58 HG LEU 58 -6.043 4.772 -2.940 457 HD11 LEU 58 1HD1 LEU 58 -4.869 6.782 -2.196 458 HD12 LEU 58 2HD1 LEU 58 -4.560 5.407 -1.155 459 HD13 LEU 58 3HD1 LEU 58 -5.658 6.670 -0.612 460 HD21 LEU 58 1HD2 LEU 58 -6.147 3.729 -0.661 461 HD22 LEU 58 2HD2 LEU 58 -7.586 3.473 -1.615 462 HD23 LEU 58 3HD2 LEU 58 -7.593 4.675 -0.311 463 H ASP 59 H ASP 59 -8.405 6.764 -5.625 464 HA ASP 59 HA ASP 59 -10.066 9.078 -5.435 465 HB2 ASP 59 2HB ASP 59 -8.650 7.875 -7.858 466 HB3 ASP 59 1HB ASP 59 -9.417 9.457 -7.842 467 H ASN 60 H ASN 60 -10.544 5.894 -6.903 468 HA ASN 60 HA ASN 60 -13.077 6.620 -8.152 469 HB2 ASN 60 2HB ASN 60 -11.495 4.919 -9.144 470 HB3 ASN 60 1HB ASN 60 -11.852 3.843 -7.803 471 HD21 ASN 60 1HD2 ASN 60 -12.784 2.229 -9.032 472 HD22 ASN 60 2HD2 ASN 60 -14.265 2.408 -9.898 473 H SER 61 H SER 61 -12.087 5.844 -4.999 474 HA SER 61 HA SER 61 -13.191 5.776 -3.040 475 HB2 SER 61 2HB SER 61 -14.626 7.576 -4.059 476 HB3 SER 61 1HB SER 61 -15.740 6.331 -4.613 477 HG SER 61 HG SER 61 -15.997 5.757 -2.357 478 H GLU 62 H GLU 62 -12.607 3.439 -4.309 479 HA GLU 62 HA GLU 62 -14.779 1.533 -4.061 480 HB2 GLU 62 2HB GLU 62 -11.841 1.221 -4.788 481 HB3 GLU 62 1HB GLU 62 -12.974 -0.121 -4.736 482 HG2 GLU 62 2HG GLU 62 -13.151 2.295 -6.571 483 HG3 GLU 62 1HG GLU 62 -12.693 0.658 -7.047 484 H TYR 63 H TYR 63 -13.833 2.992 -1.666 485 HA TYR 63 HA TYR 63 -14.196 2.685 0.492 486 HB2 TYR 63 2HB TYR 63 -14.560 -0.247 -0.214 487 HB3 TYR 63 1HB TYR 63 -14.839 0.404 1.399 488 HD1 TYR 63 HD1 TYR 63 -16.825 1.793 1.862 489 HD2 TYR 63 HD2 TYR 63 -16.118 0.293 -2.084 490 HE1 TYR 63 HE1 TYR 63 -19.125 2.376 1.214 491 HE2 TYR 63 HE2 TYR 63 -18.407 0.883 -2.715 492 HH TYR 63 HH TYR 63 -20.522 1.327 -1.748 493 H LEU 64 H LEU 64 -12.606 3.070 1.881 494 HA LEU 64 HA LEU 64 -9.980 2.136 1.690 495 HB2 LEU 64 2HB LEU 64 -11.363 3.097 4.231 496 HB3 LEU 64 1HB LEU 64 -9.643 2.811 4.123 497 HG LEU 64 HG LEU 64 -11.047 5.001 2.535 498 HD11 LEU 64 1HD1 LEU 64 -11.420 5.364 4.954 499 HD12 LEU 64 2HD1 LEU 64 -10.326 6.566 4.284 500 HD13 LEU 64 3HD1 LEU 64 -9.685 5.233 5.246 501 HD21 LEU 64 1HD2 LEU 64 -8.891 4.789 1.537 502 HD22 LEU 64 2HD2 LEU 64 -8.122 4.389 3.068 503 HD23 LEU 64 3HD2 LEU 64 -8.642 6.032 2.739 504 HA PRO 65 HA PRO 65 -11.128 -1.351 5.051 505 HB2 PRO 65 2HB PRO 65 -13.745 -2.335 4.615 506 HB3 PRO 65 1HB PRO 65 -13.240 -1.307 5.970 507 HG2 PRO 65 2HG PRO 65 -14.528 -0.501 3.384 508 HG3 PRO 65 1HG PRO 65 -14.865 0.070 5.037 509 HD2 PRO 65 2HD PRO 65 -13.419 1.586 3.407 510 HD3 PRO 65 1HD PRO 65 -12.931 1.424 5.109 511 H LYS 66 H LYS 66 -12.755 -1.305 1.871 512 HA LYS 66 HA LYS 66 -12.256 -4.000 1.174 513 HB2 LYS 66 2HB LYS 66 -13.998 -2.743 0.023 514 HB3 LYS 66 1HB LYS 66 -12.844 -1.570 -0.594 515 HG2 LYS 66 2HG LYS 66 -12.548 -4.476 -1.372 516 HG3 LYS 66 1HG LYS 66 -13.814 -3.519 -2.139 517 HD2 LYS 66 2HD LYS 66 -12.137 -1.938 -3.009 518 HD3 LYS 66 1HD LYS 66 -10.849 -2.778 -2.147 519 HE2 LYS 66 2HE LYS 66 -10.851 -3.342 -4.538 520 HE3 LYS 66 1HE LYS 66 -11.191 -4.767 -3.555 521 HZ1 LYS 66 1HZ LYS 66 -12.653 -4.664 -5.462 522 HZ2 LYS 66 2HZ LYS 66 -13.201 -3.131 -5.015 523 HZ3 LYS 66 3HZ LYS 66 -13.555 -4.468 -4.048 524 H ILE 67 H ILE 67 -10.406 -1.021 0.659 525 HA ILE 67 HA ILE 67 -8.494 -2.241 -1.151 526 HB ILE 67 HB ILE 67 -8.514 0.564 0.061 527 HG12 ILE 67 2HG1 ILE 67 -9.530 -0.383 -2.647 528 HG13 ILE 67 1HG1 ILE 67 -10.557 -0.026 -1.274 529 HG21 ILE 67 1HG2 ILE 67 -7.010 1.189 -1.816 530 HG22 ILE 67 2HG2 ILE 67 -6.980 -0.492 -2.349 531 HG23 ILE 67 3HG2 ILE 67 -6.270 -0.048 -0.796 532 HD11 ILE 67 1HD1 ILE 67 -9.983 2.276 -1.334 533 HD12 ILE 67 2HD1 ILE 67 -10.474 1.773 -2.947 534 HD13 ILE 67 3HD1 ILE 67 -8.767 2.008 -2.582 535 H ILE 68 H ILE 68 -8.644 -1.429 2.261 536 HA ILE 68 HA ILE 68 -5.862 -1.753 2.816 537 HB ILE 68 HB ILE 68 -8.310 -1.626 4.595 538 HG12 ILE 68 2HG1 ILE 68 -5.894 0.235 4.333 539 HG13 ILE 68 1HG1 ILE 68 -7.448 0.496 3.554 540 HG21 ILE 68 1HG2 ILE 68 -5.463 -2.139 5.501 541 HG22 ILE 68 2HG2 ILE 68 -6.861 -3.184 5.741 542 HG23 ILE 68 3HG2 ILE 68 -6.769 -1.632 6.575 543 HD11 ILE 68 1HD1 ILE 68 -8.496 0.681 5.776 544 HD12 ILE 68 2HD1 ILE 68 -7.263 1.903 5.471 545 HD13 ILE 68 3HD1 ILE 68 -6.898 0.529 6.514 546 H LEU 69 H LEU 69 -8.762 -3.804 2.960 547 HA LEU 69 HA LEU 69 -7.515 -6.220 3.758 548 HB2 LEU 69 2HB LEU 69 -10.029 -5.531 3.603 549 HB3 LEU 69 1HB LEU 69 -9.946 -6.052 1.933 550 HG LEU 69 HG LEU 69 -9.495 -7.837 4.409 551 HD11 LEU 69 1HD1 LEU 69 -11.881 -7.349 4.238 552 HD12 LEU 69 2HD1 LEU 69 -11.562 -9.032 3.869 553 HD13 LEU 69 3HD1 LEU 69 -11.911 -7.910 2.557 554 HD21 LEU 69 1HD2 LEU 69 -9.408 -9.797 3.003 555 HD22 LEU 69 2HD2 LEU 69 -8.155 -8.667 2.508 556 HD23 LEU 69 3HD2 LEU 69 -9.623 -8.830 1.542 557 H ASN 70 H ASN 70 -8.138 -4.775 0.554 558 HA ASN 70 HA ASN 70 -7.296 -6.990 -1.019 559 HB2 ASN 70 2HB ASN 70 -8.853 -5.386 -1.967 560 HB3 ASN 70 1HB ASN 70 -7.727 -4.057 -1.745 561 HD21 ASN 70 1HD2 ASN 70 -6.002 -3.820 -3.216 562 HD22 ASN 70 2HD2 ASN 70 -5.945 -4.678 -4.715 563 H LEU 71 H LEU 71 -5.602 -4.103 0.180 564 HA LEU 71 HA LEU 71 -3.219 -4.517 -1.356 565 HB2 LEU 71 2HB LEU 71 -3.818 -2.260 -0.568 566 HB3 LEU 71 1HB LEU 71 -3.742 -2.802 1.084 567 HG LEU 71 HG LEU 71 -1.239 -3.166 0.802 568 HD11 LEU 71 1HD1 LEU 71 -0.122 -1.897 -1.052 569 HD12 LEU 71 2HD1 LEU 71 -1.688 -1.788 -1.851 570 HD13 LEU 71 3HD1 LEU 71 -0.947 -3.360 -1.554 571 HD21 LEU 71 1HD2 LEU 71 -2.099 -1.206 1.960 572 HD22 LEU 71 2HD2 LEU 71 -2.249 -0.334 0.434 573 HD23 LEU 71 3HD2 LEU 71 -0.653 -0.789 1.040 574 H ARG 72 H ARG 72 -4.292 -5.136 1.973 575 HA ARG 72 HA ARG 72 -1.897 -6.375 2.882 576 HB2 ARG 72 2HB ARG 72 -3.712 -5.570 4.447 577 HB3 ARG 72 1HB ARG 72 -4.726 -6.914 3.943 578 HG2 ARG 72 2HG ARG 72 -2.803 -8.438 4.729 579 HG3 ARG 72 1HG ARG 72 -2.144 -6.996 5.505 580 HD2 ARG 72 2HD ARG 72 -3.416 -8.246 7.116 581 HD3 ARG 72 1HD ARG 72 -4.284 -6.753 6.751 582 HE ARG 72 HE ARG 72 -5.581 -8.284 5.135 583 HH11 ARG 72 1HH1 ARG 72 -4.394 -9.272 8.287 584 HH12 ARG 72 2HH1 ARG 72 -5.639 -10.456 8.521 585 HH21 ARG 72 1HH2 ARG 72 -7.171 -9.888 5.432 586 HH22 ARG 72 2HH2 ARG 72 -7.203 -10.800 6.909 587 H LYS 73 H LYS 73 -4.532 -7.515 0.837 588 HA LYS 73 HA LYS 73 -3.880 -10.335 1.113 589 HB2 LYS 73 2HB LYS 73 -6.210 -9.546 0.682 590 HB3 LYS 73 1HB LYS 73 -5.700 -8.915 -0.882 591 HG2 LYS 73 2HG LYS 73 -5.078 -11.267 -1.557 592 HG3 LYS 73 1HG LYS 73 -5.731 -11.831 -0.016 593 HD2 LYS 73 2HD LYS 73 -7.302 -10.392 -2.184 594 HD3 LYS 73 1HD LYS 73 -7.344 -12.127 -1.868 595 HE2 LYS 73 2HE LYS 73 -8.296 -11.701 0.365 596 HE3 LYS 73 1HE LYS 73 -8.229 -9.960 0.066 597 HZ1 LYS 73 1HZ LYS 73 -9.778 -10.216 -1.734 598 HZ2 LYS 73 2HZ LYS 73 -10.427 -10.895 -0.329 599 HZ3 LYS 73 3HZ LYS 73 -9.805 -11.899 -1.542 600 H ALA 74 H ALA 74 -3.026 -7.611 -0.894 601 HA ALA 74 HA ALA 74 -1.697 -9.206 -2.938 602 HB1 ALA 74 1HB ALA 74 -1.085 -7.010 -3.912 603 HB2 ALA 74 2HB ALA 74 -1.794 -6.194 -2.517 604 HB3 ALA 74 3HB ALA 74 -2.816 -7.130 -3.603 605 H LEU 75 H LEU 75 -0.822 -7.806 0.172 606 HA LEU 75 HA LEU 75 2.042 -8.050 -0.525 607 HB2 LEU 75 2HB LEU 75 0.980 -6.532 1.875 608 HB3 LEU 75 1HB LEU 75 2.627 -6.542 1.279 609 HG LEU 75 HG LEU 75 0.223 -5.103 0.127 610 HD11 LEU 75 1HD1 LEU 75 1.622 -3.103 0.339 611 HD12 LEU 75 2HD1 LEU 75 2.889 -4.074 1.096 612 HD13 LEU 75 3HD1 LEU 75 1.315 -3.901 1.873 613 HD21 LEU 75 1HD2 LEU 75 1.654 -4.274 -1.730 614 HD22 LEU 75 2HD2 LEU 75 1.244 -5.970 -1.861 615 HD23 LEU 75 3HD2 LEU 75 2.859 -5.499 -1.316 616 H THR 76 H THR 76 -0.304 -9.270 1.843 617 HA THR 76 HA THR 76 1.584 -10.312 3.664 618 HB THR 76 HB THR 76 -1.297 -11.126 3.214 619 HG1 THR 76 HG1 THR 76 0.090 -9.420 4.941 620 HG21 THR 76 1HG2 THR 76 0.522 -12.110 5.445 621 HG22 THR 76 2HG2 THR 76 -0.184 -13.111 4.178 622 HG23 THR 76 3HG2 THR 76 -1.223 -12.337 5.375 623 HA PRO 77 HA PRO 77 1.383 -14.646 1.301 624 HB2 PRO 77 2HB PRO 77 0.945 -13.771 -1.542 625 HB3 PRO 77 1HB PRO 77 0.302 -15.184 -0.689 626 HG2 PRO 77 2HG PRO 77 -1.281 -13.124 -1.267 627 HG3 PRO 77 1HG PRO 77 -1.435 -13.991 0.280 628 HD2 PRO 77 2HD PRO 77 -0.092 -11.347 -0.265 629 HD3 PRO 77 1HD PRO 77 -1.159 -11.814 1.061 630 H LEU 78 H LEU 78 2.471 -11.722 -0.417 631 HA LEU 78 HA LEU 78 4.931 -12.847 -1.356 632 HB2 LEU 78 2HB LEU 78 4.423 -9.860 -1.006 633 HB3 LEU 78 1HB LEU 78 5.598 -10.616 -2.067 634 HG LEU 78 HG LEU 78 2.562 -10.592 -2.449 635 HD11 LEU 78 1HD1 LEU 78 3.597 -8.443 -3.020 636 HD12 LEU 78 2HD1 LEU 78 2.944 -9.251 -4.432 637 HD13 LEU 78 3HD1 LEU 78 4.685 -9.253 -4.152 638 HD21 LEU 78 1HD2 LEU 78 2.901 -11.690 -4.622 639 HD22 LEU 78 2HD2 LEU 78 3.416 -12.730 -3.314 640 HD23 LEU 78 3HD2 LEU 78 4.619 -11.888 -4.281 641 H ALA 79 H ALA 79 3.947 -11.252 1.578 642 HA ALA 79 HA ALA 79 6.572 -10.643 2.587 643 HB1 ALA 79 1HB ALA 79 4.594 -9.376 3.333 644 HB2 ALA 79 2HB ALA 79 5.406 -10.138 4.701 645 HB3 ALA 79 3HB ALA 79 3.914 -10.835 4.059 646 H ILE 80 H ILE 80 4.139 -13.181 3.230 647 HA ILE 80 HA ILE 80 5.611 -14.733 5.073 648 HB ILE 80 HB ILE 80 3.421 -15.634 3.130 649 HG12 ILE 80 2HG1 ILE 80 3.185 -14.829 6.077 650 HG13 ILE 80 1HG1 ILE 80 2.649 -13.873 4.704 651 HG21 ILE 80 1HG2 ILE 80 3.082 -17.606 4.601 652 HG22 ILE 80 2HG2 ILE 80 4.479 -17.124 5.566 653 HG23 ILE 80 3HG2 ILE 80 4.692 -17.597 3.881 654 HD11 ILE 80 1HD1 ILE 80 0.777 -14.963 5.779 655 HD12 ILE 80 2HD1 ILE 80 1.513 -16.546 5.529 656 HD13 ILE 80 3HD1 ILE 80 0.995 -15.583 4.142 657 H ASN 81 H ASN 81 5.496 -14.735 1.521 658 HA ASN 81 HA ASN 81 7.343 -16.948 1.230 659 HB2 ASN 81 2HB ASN 81 5.585 -16.438 -0.469 660 HB3 ASN 81 1HB ASN 81 6.425 -14.944 -0.870 661 HD21 ASN 81 1HD2 ASN 81 6.534 -15.793 -3.030 662 HD22 ASN 81 2HD2 ASN 81 7.745 -16.939 -3.470 663 H ARG 82 H ARG 82 7.668 -13.548 1.794 664 HA ARG 82 HA ARG 82 9.394 -12.138 2.019 665 HB2 ARG 82 2HB ARG 82 11.001 -14.716 2.313 666 HB3 ARG 82 1HB ARG 82 11.730 -13.130 2.523 667 HG2 ARG 82 2HG ARG 82 10.191 -12.693 4.431 668 HG3 ARG 82 1HG ARG 82 9.505 -14.310 4.243 669 HD2 ARG 82 2HD ARG 82 11.689 -15.325 4.775 670 HD3 ARG 82 1HD ARG 82 12.438 -13.725 4.873 671 HE ARG 82 HE ARG 82 10.203 -14.343 6.679 672 HH11 ARG 82 1HH1 ARG 82 13.672 -13.864 6.309 673 HH12 ARG 82 2HH1 ARG 82 13.949 -13.669 8.010 674 HH21 ARG 82 1HH2 ARG 82 10.582 -14.081 8.898 675 HH22 ARG 82 2HH2 ARG 82 12.195 -13.796 9.474 676 H THR 83 H THR 83 8.688 -11.919 -0.398 677 HA THR 83 HA THR 83 11.205 -11.775 -1.972 678 HB THR 83 HB THR 83 9.407 -13.442 -2.866 679 HG1 THR 83 HG1 THR 83 10.507 -11.370 -4.491 680 HG21 THR 83 1HG2 THR 83 8.140 -10.854 -3.854 681 HG22 THR 83 2HG2 THR 83 7.437 -11.933 -2.660 682 HG23 THR 83 3HG2 THR 83 7.668 -12.486 -4.314 683 H LEU 84 H LEU 84 8.775 -10.055 -0.414 684 HA LEU 84 HA LEU 84 8.577 -7.798 -2.228 685 HB2 LEU 84 2HB LEU 84 6.625 -8.505 -0.952 686 HB3 LEU 84 1HB LEU 84 7.485 -8.350 0.564 687 HG LEU 84 HG LEU 84 7.116 -5.830 -1.075 688 HD11 LEU 84 1HD1 LEU 84 4.882 -7.049 0.565 689 HD12 LEU 84 2HD1 LEU 84 4.896 -6.837 -1.190 690 HD13 LEU 84 3HD1 LEU 84 4.886 -5.424 -0.136 691 HD21 LEU 84 1HD2 LEU 84 6.991 -6.376 1.916 692 HD22 LEU 84 2HD2 LEU 84 6.879 -4.786 1.153 693 HD23 LEU 84 3HD2 LEU 84 8.372 -5.713 1.039 694 H ASN 85 H ASN 85 9.652 -5.882 -2.016 695 HA ASN 85 HA ASN 85 12.352 -6.041 -1.291 696 HB2 ASN 85 2HB ASN 85 11.563 -4.363 -2.951 697 HB3 ASN 85 1HB ASN 85 10.783 -3.442 -1.659 698 HD21 ASN 85 1HD2 ASN 85 11.993 -1.593 -2.153 699 HD22 ASN 85 2HD2 ASN 85 13.678 -1.463 -1.802 700 H HIS 86 H HIS 86 9.705 -4.594 0.599 701 HA HIS 86 HA HIS 86 9.326 -4.562 2.820 702 HB2 HIS 86 2HB HIS 86 10.652 -6.700 2.869 703 HB3 HIS 86 1HB HIS 86 12.102 -5.764 3.192 704 HD1 HIS 86 HD1 HIS 86 8.859 -6.866 4.779 705 HD2 HIS 86 HD2 HIS 86 12.436 -5.083 5.894 706 HE1 HIS 86 HE1 HIS 86 8.904 -6.952 7.282 707 HE2 HIS 86 HE2 HIS 86 10.977 -5.687 7.919 708 H ASP 87 H ASP 87 11.450 -2.657 1.244 709 HA ASP 87 HA ASP 87 12.603 -1.143 3.396 710 HB2 ASP 87 2HB ASP 87 13.746 -1.220 1.216 711 HB3 ASP 87 1HB ASP 87 12.387 -0.451 0.407 712 H LEU 88 H LEU 88 9.419 -1.300 2.265 713 HA LEU 88 HA LEU 88 8.728 1.075 3.881 714 HB2 LEU 88 2HB LEU 88 6.594 1.274 2.518 715 HB3 LEU 88 1HB LEU 88 8.056 1.870 1.767 716 HG LEU 88 HG LEU 88 7.174 -0.945 1.042 717 HD11 LEU 88 1HD1 LEU 88 5.651 -0.135 -0.694 718 HD12 LEU 88 2HD1 LEU 88 5.850 1.524 -0.121 719 HD13 LEU 88 3HD1 LEU 88 5.076 0.319 0.909 720 HD21 LEU 88 1HD2 LEU 88 8.187 -0.415 -1.088 721 HD22 LEU 88 2HD2 LEU 88 9.306 0.076 0.175 722 HD23 LEU 88 3HD2 LEU 88 8.339 1.290 -0.658 723 H SER 89 H SER 89 9.196 -1.517 4.783 724 HA SER 89 HA SER 89 7.023 -3.136 5.345 725 HB2 SER 89 2HB SER 89 9.297 -3.703 6.030 726 HB3 SER 89 1HB SER 89 9.345 -2.341 7.149 727 HG SER 89 HG SER 89 8.161 -3.428 8.545 728 H GLU 90 H GLU 90 7.806 0.026 6.609 729 HA GLU 90 HA GLU 90 6.156 0.220 8.856 730 HB2 GLU 90 2HB GLU 90 7.367 2.214 6.925 731 HB3 GLU 90 1HB GLU 90 6.246 2.786 8.150 732 HG2 GLU 90 2HG GLU 90 8.843 1.307 8.687 733 HG3 GLU 90 1HG GLU 90 8.578 3.045 8.869 734 H LEU 91 H LEU 91 5.374 0.652 5.405 735 HA LEU 91 HA LEU 91 2.801 1.826 5.769 736 HB2 LEU 91 2HB LEU 91 4.102 1.922 3.635 737 HB3 LEU 91 1HB LEU 91 3.844 0.200 3.413 738 HG LEU 91 HG LEU 91 1.353 0.633 3.274 739 HD11 LEU 91 1HD1 LEU 91 0.542 2.921 2.957 740 HD12 LEU 91 2HD1 LEU 91 2.152 3.556 3.302 741 HD13 LEU 91 3HD1 LEU 91 1.246 2.704 4.556 742 HD21 LEU 91 1HD2 LEU 91 1.366 1.552 1.007 743 HD22 LEU 91 2HD2 LEU 91 2.681 0.402 1.229 744 HD23 LEU 91 3HD2 LEU 91 3.020 2.133 1.233 745 H TYR 92 H TYR 92 3.909 -1.534 5.314 746 HA TYR 92 HA TYR 92 1.389 -2.793 5.380 747 HB2 TYR 92 2HB TYR 92 3.350 -3.976 4.523 748 HB3 TYR 92 1HB TYR 92 4.129 -3.901 6.100 749 HD1 TYR 92 HD1 TYR 92 0.720 -5.019 4.864 750 HD2 TYR 92 HD2 TYR 92 4.203 -6.019 7.134 751 HE1 TYR 92 HE1 TYR 92 -0.264 -7.194 5.407 752 HE2 TYR 92 HE2 TYR 92 3.216 -8.193 7.688 753 HH TYR 92 HH TYR 92 0.934 -9.217 7.834 754 H LYS 93 H LYS 93 3.699 -1.897 7.887 755 HA LYS 93 HA LYS 93 2.359 -3.054 10.131 756 HB2 LYS 93 2HB LYS 93 4.773 -2.623 10.143 757 HB3 LYS 93 1HB LYS 93 4.509 -0.895 9.930 758 HG2 LYS 93 2HG LYS 93 3.554 -0.703 12.152 759 HG3 LYS 93 1HG LYS 93 3.566 -2.459 12.355 760 HD2 LYS 93 2HD LYS 93 6.033 -2.463 12.304 761 HD3 LYS 93 1HD LYS 93 6.044 -0.716 12.054 762 HE2 LYS 93 2HE LYS 93 4.888 -2.073 14.522 763 HE3 LYS 93 1HE LYS 93 6.522 -1.417 14.420 764 HZ1 LYS 93 1HZ LYS 93 4.064 0.183 13.996 765 HZ2 LYS 93 2HZ LYS 93 5.642 0.762 14.076 766 HZ3 LYS 93 3HZ LYS 93 4.919 0.112 15.456 767 H PHE 94 H PHE 94 2.060 -0.079 8.379 768 HA PHE 94 HA PHE 94 0.789 1.527 10.363 769 HB2 PHE 94 2HB PHE 94 2.002 2.479 8.426 770 HB3 PHE 94 1HB PHE 94 0.823 1.796 7.324 771 HD1 PHE 94 HD1 PHE 94 1.304 4.308 10.038 772 HD2 PHE 94 HD2 PHE 94 -1.212 3.012 6.815 773 HE1 PHE 94 HE1 PHE 94 0.050 6.420 10.149 774 HE2 PHE 94 HE2 PHE 94 -2.459 5.126 6.949 775 HZ PHE 94 HZ PHE 94 -1.825 6.831 8.606 776 H ILE 95 H ILE 95 -0.466 -0.328 7.506 777 HA ILE 95 HA ILE 95 -3.209 0.317 8.214 778 HB ILE 95 HB ILE 95 -3.973 -0.782 6.294 779 HG12 ILE 95 2HG1 ILE 95 -1.423 -2.461 6.249 780 HG13 ILE 95 1HG1 ILE 95 -3.073 -3.004 6.463 781 HG21 ILE 95 1HG2 ILE 95 -2.742 1.241 5.768 782 HG22 ILE 95 2HG2 ILE 95 -2.595 0.090 4.442 783 HG23 ILE 95 3HG2 ILE 95 -1.245 0.331 5.555 784 HD11 ILE 95 1HD1 ILE 95 -3.599 -2.516 4.178 785 HD12 ILE 95 2HD1 ILE 95 -2.173 -3.550 4.260 786 HD13 ILE 95 3HD1 ILE 95 -1.990 -1.835 3.904 787 H THR 96 H THR 96 -1.063 -1.924 9.517 788 HA THR 96 HA THR 96 -3.209 -3.750 10.429 789 HB THR 96 HB THR 96 -1.316 -5.079 11.473 790 HG1 THR 96 HG1 THR 96 0.532 -3.790 9.826 791 HG21 THR 96 1HG2 THR 96 -2.227 -5.740 9.279 792 HG22 THR 96 2HG2 THR 96 -0.499 -6.070 9.376 793 HG23 THR 96 3HG2 THR 96 -1.078 -4.674 8.469 794 H SER 97 H SER 97 -2.252 -0.816 11.240 795 HA SER 97 HA SER 97 -3.219 -1.058 13.965 796 HB2 SER 97 2HB SER 97 -0.730 -1.481 14.139 797 HB3 SER 97 1HB SER 97 -0.443 0.130 13.476 798 HG SER 97 HG SER 97 -0.925 -0.567 15.999 799 H SER 98 H SER 98 -2.226 1.731 14.577 800 HA SER 98 HA SER 98 -2.619 3.909 14.219 801 HB2 SER 98 2HB SER 98 -3.083 3.245 11.279 802 HB3 SER 98 1HB SER 98 -2.575 4.792 11.961 803 HG SER 98 HG SER 98 -1.062 2.805 11.131 804 H LYS 99 H LYS 99 -4.749 2.098 14.891 805 HA LYS 99 HA LYS 99 -6.919 2.043 15.433 806 HB2 LYS 99 2HB LYS 99 -6.828 4.524 15.644 807 HB3 LYS 99 1HB LYS 99 -7.250 4.678 13.945 808 HG2 LYS 99 2HG LYS 99 -9.456 3.626 14.414 809 HG3 LYS 99 1HG LYS 99 -9.026 3.509 16.120 810 HD2 LYS 99 2HD LYS 99 -8.935 5.965 16.292 811 HD3 LYS 99 1HD LYS 99 -9.260 6.119 14.563 812 HE2 LYS 99 2HE LYS 99 -11.484 5.081 14.902 813 HE3 LYS 99 1HE LYS 99 -11.144 4.925 16.624 814 HZ1 LYS 99 1HZ LYS 99 -11.031 7.319 16.797 815 HZ2 LYS 99 2HZ LYS 99 -12.518 6.838 16.149 816 HZ3 LYS 99 3HZ LYS 99 -11.328 7.487 15.139 817 H ALA 100 H ALA 100 -5.808 1.905 12.254 818 HA ALA 100 HA ALA 100 -8.276 1.141 10.947 819 HB1 ALA 100 1HB ALA 100 -6.434 2.083 9.626 820 HB2 ALA 100 2HB ALA 100 -6.795 0.443 9.096 821 HB3 ALA 100 3HB ALA 100 -5.376 0.750 10.098 822 H SER 101 H SER 101 -5.258 -0.602 11.719 823 HA SER 101 HA SER 101 -4.706 -2.709 12.229 824 HB2 SER 101 2HB SER 101 -7.339 -2.563 13.706 825 HB3 SER 101 1HB SER 101 -6.168 -3.868 13.931 826 HG SER 101 HG SER 101 -4.843 -2.531 14.953 827 H ASN 102 H ASN 102 -6.188 -2.292 9.740 828 HA ASN 102 HA ASN 102 -7.479 -3.211 8.129 829 HB2 ASN 102 2HB ASN 102 -6.607 -5.328 7.245 830 HB3 ASN 102 1HB ASN 102 -5.291 -4.306 7.792 831 HD21 ASN 102 1HD2 ASN 102 -7.121 -7.218 8.457 832 HD22 ASN 102 2HD2 ASN 102 -5.983 -7.920 9.550 833 H LYS 103 H LYS 103 -8.922 -3.179 10.504 834 HA LYS 103 HA LYS 103 -10.733 -5.471 10.196 835 HB2 LYS 103 2HB LYS 103 -8.984 -5.881 12.054 836 HB3 LYS 103 1HB LYS 103 -9.749 -4.584 12.953 837 HG2 LYS 103 2HG LYS 103 -11.220 -7.093 12.050 838 HG3 LYS 103 1HG LYS 103 -10.407 -6.962 13.607 839 HD2 LYS 103 2HD LYS 103 -12.766 -5.290 12.648 840 HD3 LYS 103 1HD LYS 103 -12.807 -6.566 13.866 841 HE2 LYS 103 2HE LYS 103 -11.423 -5.231 15.372 842 HE3 LYS 103 1HE LYS 103 -11.222 -3.988 14.136 843 HZ1 LYS 103 1HZ LYS 103 -13.637 -3.625 14.234 844 HZ2 LYS 103 2HZ LYS 103 -12.863 -3.301 15.698 845 HZ3 LYS 103 3HZ LYS 103 -13.738 -4.734 15.507 846 H ASN 104 H ASN 104 -10.169 -2.474 12.117 847 HA ASN 104 HA ASN 104 -12.885 -1.671 12.310 848 HB2 ASN 104 2HB ASN 104 -10.305 -0.055 12.467 849 HB3 ASN 104 1HB ASN 104 -11.890 0.656 12.767 850 HD21 ASN 104 1HD2 ASN 104 -9.520 0.210 14.556 851 HD22 ASN 104 2HD2 ASN 104 -10.161 -0.618 15.920 852 H LEU 105 H LEU 105 -10.327 -0.327 10.160 853 HA LEU 105 HA LEU 105 -12.287 -0.516 7.944 854 HB2 LEU 105 2HB LEU 105 -9.820 1.271 7.904 855 HB3 LEU 105 1HB LEU 105 -11.135 1.254 6.748 856 HG LEU 105 HG LEU 105 -11.661 2.185 9.596 857 HD11 LEU 105 1HD1 LEU 105 -11.081 4.476 8.992 858 HD12 LEU 105 2HD1 LEU 105 -10.503 3.939 7.412 859 HD13 LEU 105 3HD1 LEU 105 -9.679 3.421 8.884 860 HD21 LEU 105 1HD2 LEU 105 -13.259 3.781 8.386 861 HD22 LEU 105 2HD2 LEU 105 -13.720 2.099 8.345 862 HD23 LEU 105 3HD2 LEU 105 -12.975 2.837 6.921 863 H GLY 106 H GLY 106 -11.912 -2.445 7.285 864 HA2 GLY 106 2HA GLY 106 -9.942 -3.184 5.567 865 HA3 GLY 106 1HA GLY 106 -9.364 -3.758 7.134 866 H GLY 107 H GLY 107 -11.509 -4.542 8.452 867 HA2 GLY 107 2HA GLY 107 -13.040 -6.215 8.764 868 HA3 GLY 107 1HA GLY 107 -13.394 -6.156 7.043 869 H GLY 108 H GLY 108 -10.103 -6.650 7.597 870 HA2 GLY 108 2HA GLY 108 -10.209 -9.306 6.462 871 HA3 GLY 108 1HA GLY 108 -8.782 -8.319 6.736 872 H LEU 109 H LEU 109 -10.429 -11.007 7.748 873 HA LEU 109 HA LEU 109 -9.481 -11.095 10.503 874 HB2 LEU 109 2HB LEU 109 -11.068 -13.006 8.755 875 HB3 LEU 109 1HB LEU 109 -10.423 -13.521 10.305 876 HG LEU 109 HG LEU 109 -11.757 -11.716 11.432 877 HD11 LEU 109 1HD1 LEU 109 -12.027 -10.129 9.622 878 HD12 LEU 109 2HD1 LEU 109 -13.597 -10.608 10.263 879 HD13 LEU 109 3HD1 LEU 109 -13.028 -11.276 8.731 880 HD21 LEU 109 1HD2 LEU 109 -12.586 -14.014 11.336 881 HD22 LEU 109 2HD2 LEU 109 -13.409 -13.665 9.811 882 HD23 LEU 109 3HD2 LEU 109 -13.909 -12.849 11.296 883 H ILE 110 H ILE 110 -8.391 -13.271 11.156 884 HA ILE 110 HA ILE 110 -5.817 -13.418 9.986 885 HB ILE 110 HB ILE 110 -7.252 -15.197 12.014 886 HG12 ILE 110 2HG1 ILE 110 -5.427 -14.416 13.566 887 HG13 ILE 110 1HG1 ILE 110 -4.722 -13.478 12.262 888 HG21 ILE 110 1HG2 ILE 110 -5.882 -16.784 10.735 889 HG22 ILE 110 2HG2 ILE 110 -5.223 -16.564 12.355 890 HG23 ILE 110 3HG2 ILE 110 -4.450 -15.780 10.978 891 HD11 ILE 110 1HD1 ILE 110 -7.367 -12.977 13.633 892 HD12 ILE 110 2HD1 ILE 110 -6.756 -12.055 12.255 893 HD13 ILE 110 3HD1 ILE 110 -5.881 -12.040 13.785 894 H MET 111 H MET 111 -5.414 -14.163 8.032 895 HA MET 111 HA MET 111 -5.583 -15.049 5.998 896 HB2 MET 111 2HB MET 111 -5.094 -17.192 7.220 897 HB3 MET 111 1HB MET 111 -6.821 -17.497 7.335 898 HG2 MET 111 2HG MET 111 -6.947 -17.548 4.846 899 HG3 MET 111 1HG MET 111 -5.197 -17.329 4.774 900 HE1 MET 111 1HE MET 111 -3.476 -19.138 5.907 901 HE2 MET 111 2HE MET 111 -4.008 -20.686 6.556 902 HE3 MET 111 3HE MET 111 -4.392 -19.194 7.417 903 H SER 112 H SER 112 -7.075 -13.340 5.585 904 HA SER 112 HA SER 112 -9.915 -13.720 5.611 905 HB2 SER 112 2HB SER 112 -9.908 -11.567 4.259 906 HB3 SER 112 1HB SER 112 -9.084 -11.461 5.813 907 HG SER 112 HG SER 112 -7.645 -12.076 3.472 908 H TRP 113 H TRP 113 -10.209 -15.640 4.532 909 HA TRP 113 HA TRP 113 -10.332 -15.612 1.643 910 HB2 TRP 113 2HB TRP 113 -7.980 -16.368 2.064 911 HB3 TRP 113 1HB TRP 113 -8.564 -17.651 3.117 912 HD1 TRP 113 HD1 TRP 113 -8.355 -16.686 -0.613 913 HE1 TRP 113 HE1 TRP 113 -8.738 -18.797 -2.024 914 HE3 TRP 113 HE3 TRP 113 -9.671 -19.948 3.110 915 HZ2 TRP 113 HZ2 TRP 113 -9.522 -21.473 -1.636 916 HZ3 TRP 113 HZ3 TRP 113 -10.237 -22.267 2.505 917 HH2 TRP 113 HH2 TRP 113 -10.162 -23.014 0.175 918 H GLY 114 H GLY 114 -11.605 -17.433 0.859 919 HA2 GLY 114 2HA GLY 114 -13.129 -19.188 1.049 920 HA3 GLY 114 1HA GLY 114 -13.089 -19.051 2.807 921 H ARG 115 H ARG 115 -13.788 -16.722 3.515 922 HA ARG 115 HA ARG 115 -16.339 -15.978 2.167 923 HB2 ARG 115 2HB ARG 115 -15.806 -15.331 5.096 924 HB3 ARG 115 1HB ARG 115 -17.336 -15.506 4.259 925 HG2 ARG 115 2HG ARG 115 -17.265 -17.345 5.712 926 HG3 ARG 115 1HG ARG 115 -16.806 -18.032 4.152 927 HD2 ARG 115 2HD ARG 115 -15.399 -18.846 6.081 928 HD3 ARG 115 1HD ARG 115 -14.459 -18.070 4.798 929 HE ARG 115 HE ARG 115 -15.245 -16.251 6.873 930 HH11 ARG 115 1HH1 ARG 115 -12.758 -18.601 6.039 931 HH12 ARG 115 2HH1 ARG 115 -11.581 -17.890 7.095 932 HH21 ARG 115 1HH2 ARG 115 -13.662 -15.292 8.175 933 HH22 ARG 115 2HH2 ARG 115 -12.094 -16.020 8.294 934 H LEU 116 H LEU 116 -16.864 -13.586 2.530 935 HA LEU 116 HA LEU 116 -14.756 -11.792 1.949 936 HB2 LEU 116 2HB LEU 116 -17.076 -11.205 1.423 937 HB3 LEU 116 1HB LEU 116 -17.522 -11.262 3.117 938 HG LEU 116 HG LEU 116 -16.117 -9.247 3.565 939 HD11 LEU 116 1HD1 LEU 116 -14.402 -9.480 1.866 940 HD12 LEU 116 2HD1 LEU 116 -15.189 -7.912 1.720 941 HD13 LEU 116 3HD1 LEU 116 -15.585 -9.202 0.582 942 HD21 LEU 116 1HD2 LEU 116 -17.536 -7.592 2.429 943 HD22 LEU 116 2HD2 LEU 116 -18.475 -8.933 3.080 944 HD23 LEU 116 3HD2 LEU 116 -18.143 -8.853 1.348 945 H PHE 117 H PHE 117 -16.605 -12.272 4.925 946 HA PHE 117 HA PHE 117 -14.592 -10.989 6.602 947 HB2 PHE 117 2HB PHE 117 -16.272 -11.363 8.451 948 HB3 PHE 117 1HB PHE 117 -16.872 -10.368 7.139 949 HD1 PHE 117 HD1 PHE 117 -17.455 -13.351 9.124 950 HD2 PHE 117 HD2 PHE 117 -18.495 -11.426 5.441 951 HE1 PHE 117 HE1 PHE 117 -19.425 -14.798 8.920 952 HE2 PHE 117 HE2 PHE 117 -20.465 -12.890 5.252 953 HZ PHE 117 HZ PHE 117 -20.928 -14.574 6.986 Start of MODEL 9 1 H1 MET 1 1H MET 1 7.294 36.257 -24.802 2 H2 MET 1 2H MET 1 6.738 36.767 -26.307 3 H3 MET 1 3H MET 1 8.308 37.142 -25.821 4 HA MET 1 HA MET 1 8.195 35.334 -27.452 5 HB2 MET 1 2HB MET 1 9.240 34.570 -24.687 6 HB3 MET 1 1HB MET 1 9.699 33.776 -26.191 7 HG2 MET 1 2HG MET 1 10.683 35.886 -26.995 8 HG3 MET 1 1HG MET 1 10.244 36.660 -25.471 9 HE1 MET 1 1HE MET 1 13.198 36.718 -26.623 10 HE2 MET 1 2HE MET 1 14.164 36.296 -25.210 11 HE3 MET 1 3HE MET 1 12.820 37.420 -25.046 12 H SER 2 H SER 2 7.516 33.239 -27.968 13 HA SER 2 HA SER 2 4.999 32.396 -26.756 14 HB2 SER 2 2HB SER 2 6.462 31.375 -29.238 15 HB3 SER 2 1HB SER 2 4.808 30.962 -28.768 16 HG SER 2 HG SER 2 4.858 33.549 -28.750 17 H GLY 3 H GLY 3 4.909 30.851 -25.237 18 HA2 GLY 3 2HA GLY 3 5.460 28.304 -25.132 19 HA3 GLY 3 1HA GLY 3 7.096 28.893 -24.855 20 H SER 4 H SER 4 3.942 28.414 -23.464 21 HA SER 4 HA SER 4 4.538 29.887 -21.011 22 HB2 SER 4 2HB SER 4 2.212 29.074 -20.349 23 HB3 SER 4 1HB SER 4 2.266 30.077 -21.797 24 HG SER 4 HG SER 4 0.968 28.319 -22.218 25 H HIS 5 H HIS 5 5.862 28.934 -19.575 26 HA HIS 5 HA HIS 5 6.268 26.083 -19.328 27 HB2 HIS 5 2HB HIS 5 8.121 27.725 -19.080 28 HB3 HIS 5 1HB HIS 5 7.343 28.413 -17.662 29 HD1 HIS 5 HD1 HIS 5 7.826 27.297 -15.445 30 HD2 HIS 5 HD2 HIS 5 9.210 25.068 -18.653 31 HE1 HIS 5 HE1 HIS 5 9.264 25.517 -14.450 32 HE2 HIS 5 HE2 HIS 5 9.855 24.040 -16.386 33 H HIS 6 H HIS 6 4.148 28.380 -17.935 34 HA HIS 6 HA HIS 6 2.329 28.205 -16.642 35 HB2 HIS 6 2HB HIS 6 2.844 25.209 -16.689 36 HB3 HIS 6 1HB HIS 6 1.378 25.954 -16.059 37 HD1 HIS 6 HD1 HIS 6 2.589 24.377 -18.997 38 HD2 HIS 6 HD2 HIS 6 0.101 27.610 -18.249 39 HE1 HIS 6 HE1 HIS 6 1.278 24.719 -21.102 40 HE2 HIS 6 HE2 HIS 6 -0.381 26.510 -20.525 41 H HIS 7 H HIS 7 3.169 29.387 -14.887 42 HA HIS 7 HA HIS 7 4.323 28.036 -12.601 43 HB2 HIS 7 2HB HIS 7 4.136 30.132 -11.406 44 HB3 HIS 7 1HB HIS 7 4.618 30.532 -13.046 45 HD1 HIS 7 HD1 HIS 7 2.084 31.230 -10.512 46 HD2 HIS 7 HD2 HIS 7 2.400 31.664 -14.625 47 HE1 HIS 7 HE1 HIS 7 0.235 32.789 -11.167 48 HE2 HIS 7 HE2 HIS 7 0.303 32.820 -13.674 49 H HIS 8 H HIS 8 3.229 27.161 -10.861 50 HA HIS 8 HA HIS 8 1.620 25.933 -9.861 51 HB2 HIS 8 2HB HIS 8 0.670 28.097 -9.193 52 HB3 HIS 8 1HB HIS 8 -0.165 28.259 -10.729 53 HD1 HIS 8 HD1 HIS 8 -2.375 26.977 -11.014 54 HD2 HIS 8 HD2 HIS 8 -0.565 26.357 -7.330 55 HE1 HIS 8 HE1 HIS 8 -4.121 25.878 -9.584 56 HE2 HIS 8 HE2 HIS 8 -2.938 25.362 -7.424 57 H HIS 9 H HIS 9 1.933 24.248 -11.384 58 HA HIS 9 HA HIS 9 0.689 24.093 -13.931 59 HB2 HIS 9 2HB HIS 9 1.962 21.953 -12.172 60 HB3 HIS 9 1HB HIS 9 1.373 21.633 -13.804 61 HD1 HIS 9 HD1 HIS 9 4.206 23.118 -11.945 62 HD2 HIS 9 HD2 HIS 9 2.866 22.880 -15.865 63 HE1 HIS 9 HE1 HIS 9 6.134 23.870 -13.363 64 HE2 HIS 9 HE2 HIS 9 5.241 23.869 -15.711 65 H HIS 10 H HIS 10 -1.242 23.395 -14.536 66 HA HIS 10 HA HIS 10 -3.342 22.938 -12.649 67 HB2 HIS 10 2HB HIS 10 -3.665 24.141 -14.834 68 HB3 HIS 10 1HB HIS 10 -3.390 22.627 -15.688 69 HD1 HIS 10 HD1 HIS 10 -5.296 20.829 -15.577 70 HD2 HIS 10 HD2 HIS 10 -6.204 24.420 -13.690 71 HE1 HIS 10 HE1 HIS 10 -7.762 20.745 -15.106 72 HE2 HIS 10 HE2 HIS 10 -8.252 22.877 -13.859 73 H SER 11 H SER 11 -2.701 21.087 -11.533 74 HA SER 11 HA SER 11 -2.064 18.569 -12.615 75 HB2 SER 11 2HB SER 11 -2.810 17.722 -10.302 76 HB3 SER 11 1HB SER 11 -1.553 18.955 -10.303 77 HG SER 11 HG SER 11 -4.327 19.408 -9.876 78 H SER 12 H SER 12 -3.293 17.217 -13.722 79 HA SER 12 HA SER 12 -6.124 16.807 -13.269 80 HB2 SER 12 2HB SER 12 -5.992 18.875 -14.762 81 HB3 SER 12 1HB SER 12 -5.203 17.880 -15.984 82 HG SER 12 HG SER 12 -7.803 17.498 -14.901 83 H GLY 13 H GLY 13 -6.760 15.337 -15.522 84 HA2 GLY 13 2HA GLY 13 -6.353 13.429 -16.740 85 HA3 GLY 13 1HA GLY 13 -4.650 13.527 -16.323 86 H ILE 14 H ILE 14 -6.428 13.738 -13.546 87 HA ILE 14 HA ILE 14 -6.939 11.181 -12.644 88 HB ILE 14 HB ILE 14 -4.941 10.750 -11.051 89 HG12 ILE 14 2HG1 ILE 14 -3.229 12.312 -13.068 90 HG13 ILE 14 1HG1 ILE 14 -3.569 12.789 -11.399 91 HG21 ILE 14 1HG2 ILE 14 -5.518 9.160 -12.757 92 HG22 ILE 14 2HG2 ILE 14 -3.768 9.231 -12.574 93 HG23 ILE 14 3HG2 ILE 14 -4.545 10.014 -13.954 94 HD11 ILE 14 1HD1 ILE 14 -1.366 11.784 -11.683 95 HD12 ILE 14 2HD1 ILE 14 -2.110 10.278 -12.207 96 HD13 ILE 14 3HD1 ILE 14 -2.377 10.874 -10.566 97 H GLU 15 H GLU 15 -8.228 11.666 -10.962 98 HA GLU 15 HA GLU 15 -7.575 13.899 -9.145 99 HB2 GLU 15 2HB GLU 15 -10.196 13.634 -10.693 100 HB3 GLU 15 1HB GLU 15 -9.925 14.767 -9.371 101 HG2 GLU 15 2HG GLU 15 -8.099 15.832 -10.731 102 HG3 GLU 15 1HG GLU 15 -8.520 14.766 -12.068 103 H GLY 16 H GLY 16 -9.377 13.960 -7.413 104 HA2 GLY 16 2HA GLY 16 -10.469 11.369 -6.637 105 HA3 GLY 16 1HA GLY 16 -9.158 11.988 -5.635 106 H ARG 17 H ARG 17 -11.957 13.395 -7.250 107 HA ARG 17 HA ARG 17 -12.513 15.358 -5.281 108 HB2 ARG 17 2HB ARG 17 -14.402 14.250 -7.404 109 HB3 ARG 17 1HB ARG 17 -14.541 15.807 -6.588 110 HG2 ARG 17 2HG ARG 17 -12.471 16.575 -7.712 111 HG3 ARG 17 1HG ARG 17 -12.333 15.009 -8.523 112 HD2 ARG 17 2HD ARG 17 -14.563 15.418 -9.591 113 HD3 ARG 17 1HD ARG 17 -14.590 17.025 -8.850 114 HE ARG 17 HE ARG 17 -12.210 16.773 -10.303 115 HH11 ARG 17 1HH1 ARG 17 -15.666 16.912 -10.985 116 HH12 ARG 17 2HH1 ARG 17 -15.448 17.597 -12.564 117 HH21 ARG 17 1HH2 ARG 17 -11.940 17.671 -12.378 118 HH22 ARG 17 2HH2 ARG 17 -13.338 18.031 -13.346 119 H GLY 18 H GLY 18 -12.984 14.619 -3.263 120 HA2 GLY 18 2HA GLY 18 -14.266 12.142 -2.687 121 HA3 GLY 18 1HA GLY 18 -13.773 13.376 -1.539 122 H ARG 19 H ARG 19 -16.354 12.252 -3.602 123 HA ARG 19 HA ARG 19 -18.330 14.171 -2.855 124 HB2 ARG 19 2HB ARG 19 -18.549 12.893 -4.938 125 HB3 ARG 19 1HB ARG 19 -18.532 11.371 -4.053 126 HG2 ARG 19 2HG ARG 19 -20.793 11.893 -4.789 127 HG3 ARG 19 1HG ARG 19 -20.707 11.931 -3.028 128 HD2 ARG 19 2HD ARG 19 -20.504 14.437 -3.159 129 HD3 ARG 19 1HD ARG 19 -20.778 14.325 -4.904 130 HE ARG 19 HE ARG 19 -22.910 13.036 -4.015 131 HH11 ARG 19 1HH1 ARG 19 -21.546 16.046 -2.772 132 HH12 ARG 19 2HH1 ARG 19 -23.083 16.648 -2.222 133 HH21 ARG 19 1HH2 ARG 19 -24.892 13.818 -3.283 134 HH22 ARG 19 2HH2 ARG 19 -24.987 15.377 -2.515 135 H MET 20 H MET 20 -17.542 10.866 -1.820 136 HA MET 20 HA MET 20 -19.531 10.652 0.245 137 HB2 MET 20 2HB MET 20 -18.639 8.699 -1.015 138 HB3 MET 20 1HB MET 20 -17.037 8.991 -0.357 139 HG2 MET 20 2HG MET 20 -17.883 8.477 1.911 140 HG3 MET 20 1HG MET 20 -19.487 8.178 1.238 141 HE1 MET 20 1HE MET 20 -19.987 6.157 -0.497 142 HE2 MET 20 2HE MET 20 -18.770 4.983 -0.989 143 HE3 MET 20 3HE MET 20 -18.654 6.651 -1.551 144 H LYS 21 H LYS 21 -16.207 11.652 0.002 145 HA LYS 21 HA LYS 21 -14.825 12.864 1.245 146 HB2 LYS 21 2HB LYS 21 -16.833 14.100 2.068 147 HB3 LYS 21 1HB LYS 21 -16.921 12.990 3.429 148 HG2 LYS 21 2HG LYS 21 -14.757 13.786 4.264 149 HG3 LYS 21 1HG LYS 21 -14.563 14.820 2.849 150 HD2 LYS 21 2HD LYS 21 -16.787 15.107 4.907 151 HD3 LYS 21 1HD LYS 21 -15.302 16.062 4.896 152 HE2 LYS 21 2HE LYS 21 -15.897 17.003 2.708 153 HE3 LYS 21 1HE LYS 21 -17.355 16.008 2.654 154 HZ1 LYS 21 1HZ LYS 21 -17.826 18.270 3.353 155 HZ2 LYS 21 2HZ LYS 21 -16.782 18.109 4.670 156 HZ3 LYS 21 3HZ LYS 21 -18.184 17.175 4.586 157 H LYS 22 H LYS 22 -16.070 9.882 2.418 158 HA LYS 22 HA LYS 22 -15.278 8.189 3.666 159 HB2 LYS 22 2HB LYS 22 -12.646 9.526 2.972 160 HB3 LYS 22 1HB LYS 22 -12.718 7.983 3.818 161 HG2 LYS 22 2HG LYS 22 -13.719 6.883 1.924 162 HG3 LYS 22 1HG LYS 22 -14.026 8.414 1.103 163 HD2 LYS 22 2HD LYS 22 -11.220 7.395 1.720 164 HD3 LYS 22 1HD LYS 22 -12.058 7.052 0.204 165 HE2 LYS 22 2HE LYS 22 -12.145 9.402 -0.360 166 HE3 LYS 22 1HE LYS 22 -11.532 9.864 1.229 167 HZ1 LYS 22 1HZ LYS 22 -10.029 8.319 -0.803 168 HZ2 LYS 22 2HZ LYS 22 -9.443 8.812 0.703 169 HZ3 LYS 22 3HZ LYS 22 -9.828 9.962 -0.478 170 H LYS 23 H LYS 23 -13.178 8.045 5.711 171 HA LYS 23 HA LYS 23 -14.608 9.655 7.776 172 HB2 LYS 23 2HB LYS 23 -13.700 6.767 8.055 173 HB3 LYS 23 1HB LYS 23 -14.501 7.718 9.301 174 HG2 LYS 23 2HG LYS 23 -15.724 6.915 6.638 175 HG3 LYS 23 1HG LYS 23 -16.040 6.139 8.192 176 HD2 LYS 23 2HD LYS 23 -17.021 8.251 9.051 177 HD3 LYS 23 1HD LYS 23 -16.695 9.039 7.501 178 HE2 LYS 23 2HE LYS 23 -19.039 8.375 7.603 179 HE3 LYS 23 1HE LYS 23 -18.215 7.396 6.388 180 HZ1 LYS 23 1HZ LYS 23 -18.046 5.608 8.069 181 HZ2 LYS 23 2HZ LYS 23 -19.642 6.013 7.706 182 HZ3 LYS 23 3HZ LYS 23 -18.946 6.544 9.147 183 H GLN 24 H GLN 24 -11.543 7.797 7.278 184 HA GLN 24 HA GLN 24 -10.344 8.952 9.677 185 HB2 GLN 24 2HB GLN 24 -9.197 7.006 7.615 186 HB3 GLN 24 1HB GLN 24 -8.352 7.545 9.065 187 HG2 GLN 24 2HG GLN 24 -9.245 5.391 9.559 188 HG3 GLN 24 1HG GLN 24 -10.236 6.560 10.436 189 HE21 GLN 24 1HE2 GLN 24 -12.108 5.343 10.550 190 HE22 GLN 24 2HE2 GLN 24 -13.008 4.838 9.167 191 H ILE 25 H ILE 25 -9.398 10.880 9.635 192 HA ILE 25 HA ILE 25 -8.535 12.152 7.153 193 HB ILE 25 HB ILE 25 -8.905 13.087 10.032 194 HG12 ILE 25 2HG1 ILE 25 -10.303 14.888 9.133 195 HG13 ILE 25 1HG1 ILE 25 -9.864 14.506 7.483 196 HG21 ILE 25 1HG2 ILE 25 -7.313 14.723 8.046 197 HG22 ILE 25 2HG2 ILE 25 -6.688 13.985 9.517 198 HG23 ILE 25 3HG2 ILE 25 -7.867 15.294 9.621 199 HD11 ILE 25 1HD1 ILE 25 -11.552 12.838 9.342 200 HD12 ILE 25 2HD1 ILE 25 -11.126 12.395 7.685 201 HD13 ILE 25 3HD1 ILE 25 -12.104 13.823 7.993 202 H GLU 26 H GLU 26 -7.100 11.277 10.282 203 HA GLU 26 HA GLU 26 -4.426 12.027 9.684 204 HB2 GLU 26 2HB GLU 26 -5.361 10.047 11.807 205 HB3 GLU 26 1HB GLU 26 -3.850 10.960 11.801 206 HG2 GLU 26 2HG GLU 26 -5.060 13.051 12.106 207 HG3 GLU 26 1HG GLU 26 -6.607 12.205 11.987 208 H PHE 27 H PHE 27 -6.103 8.902 9.787 209 HA PHE 27 HA PHE 27 -3.880 7.237 9.287 210 HB2 PHE 27 2HB PHE 27 -6.289 6.635 10.201 211 HB3 PHE 27 1HB PHE 27 -6.716 6.428 8.512 212 HD1 PHE 27 HD1 PHE 27 -5.993 4.404 7.300 213 HD2 PHE 27 HD2 PHE 27 -4.587 5.169 11.271 214 HE1 PHE 27 HE1 PHE 27 -5.100 2.107 7.460 215 HE2 PHE 27 HE2 PHE 27 -3.718 2.872 11.406 216 HZ PHE 27 HZ PHE 27 -3.985 1.345 9.496 217 H GLU 28 H GLU 28 -6.237 8.770 7.140 218 HA GLU 28 HA GLU 28 -5.409 7.517 4.733 219 HB2 GLU 28 2HB GLU 28 -7.632 8.568 5.013 220 HB3 GLU 28 1HB GLU 28 -6.872 10.147 5.076 221 HG2 GLU 28 2HG GLU 28 -6.039 9.877 2.779 222 HG3 GLU 28 1HG GLU 28 -6.754 8.265 2.693 223 H ASN 29 H ASN 29 -4.557 10.640 6.304 224 HA ASN 29 HA ASN 29 -3.077 11.674 4.088 225 HB2 ASN 29 2HB ASN 29 -3.036 12.482 7.028 226 HB3 ASN 29 1HB ASN 29 -2.148 13.341 5.772 227 HD21 ASN 29 1HD2 ASN 29 -3.919 14.685 7.288 228 HD22 ASN 29 2HD2 ASN 29 -5.295 15.130 6.342 229 H GLU 30 H GLU 30 -2.235 9.801 6.952 230 HA GLU 30 HA GLU 30 0.627 10.028 6.667 231 HB2 GLU 30 2HB GLU 30 -1.147 8.273 8.397 232 HB3 GLU 30 1HB GLU 30 0.595 8.022 8.333 233 HG2 GLU 30 2HG GLU 30 0.947 10.349 9.128 234 HG3 GLU 30 1HG GLU 30 -0.802 10.555 9.269 235 H LEU 31 H LEU 31 -1.844 7.714 5.773 236 HA LEU 31 HA LEU 31 -0.103 5.597 4.880 237 HB2 LEU 31 2HB LEU 31 -2.531 5.197 5.372 238 HB3 LEU 31 1HB LEU 31 -2.958 6.100 3.932 239 HG LEU 31 HG LEU 31 -1.194 3.657 3.617 240 HD11 LEU 31 1HD1 LEU 31 -2.981 2.759 5.020 241 HD12 LEU 31 2HD1 LEU 31 -3.131 2.149 3.380 242 HD13 LEU 31 3HD1 LEU 31 -4.211 3.427 3.942 243 HD21 LEU 31 1HD2 LEU 31 -1.639 4.984 1.596 244 HD22 LEU 31 2HD2 LEU 31 -3.380 4.735 1.793 245 HD23 LEU 31 3HD2 LEU 31 -2.321 3.366 1.470 246 H ARG 32 H ARG 32 -1.670 8.335 3.251 247 HA ARG 32 HA ARG 32 -0.829 7.484 0.657 248 HB2 ARG 32 2HB ARG 32 -3.007 8.693 1.153 249 HB3 ARG 32 1HB ARG 32 -2.063 10.171 1.328 250 HG2 ARG 32 2HG ARG 32 -1.380 10.114 -0.957 251 HG3 ARG 32 1HG ARG 32 -1.937 8.459 -1.164 252 HD2 ARG 32 2HD ARG 32 -4.280 9.274 -0.874 253 HD3 ARG 32 1HD ARG 32 -3.654 10.933 -0.824 254 HE ARG 32 HE ARG 32 -2.568 10.034 -3.092 255 HH11 ARG 32 1HH1 ARG 32 -5.912 9.799 -1.989 256 HH12 ARG 32 2HH1 ARG 32 -6.551 9.809 -3.605 257 HH21 ARG 32 1HH2 ARG 32 -3.421 10.037 -5.157 258 HH22 ARG 32 2HH2 ARG 32 -5.143 9.943 -5.386 259 H SER 33 H SER 33 0.326 9.782 3.052 260 HA SER 33 HA SER 33 2.123 11.245 1.393 261 HB2 SER 33 2HB SER 33 1.313 12.087 3.595 262 HB3 SER 33 1HB SER 33 2.256 10.841 4.415 263 HG SER 33 HG SER 33 3.383 12.739 2.633 264 H MET 34 H MET 34 2.400 8.241 3.244 265 HA MET 34 HA MET 34 5.274 7.988 2.763 266 HB2 MET 34 2HB MET 34 3.295 6.016 4.013 267 HB3 MET 34 1HB MET 34 5.023 5.731 3.872 268 HG2 MET 34 2HG MET 34 5.418 7.723 5.347 269 HG3 MET 34 1HG MET 34 3.669 7.851 5.559 270 HE1 MET 34 1HE MET 34 2.193 5.968 6.836 271 HE2 MET 34 2HE MET 34 2.887 4.462 7.436 272 HE3 MET 34 3HE MET 34 2.786 4.750 5.702 273 H LEU 35 H LEU 35 2.260 6.760 1.409 274 HA LEU 35 HA LEU 35 3.469 4.840 -0.352 275 HB2 LEU 35 2HB LEU 35 0.946 4.969 0.271 276 HB3 LEU 35 1HB LEU 35 0.817 6.247 -0.912 277 HG LEU 35 HG LEU 35 1.778 3.478 -1.747 278 HD11 LEU 35 1HD1 LEU 35 -1.118 4.305 -1.504 279 HD12 LEU 35 2HD1 LEU 35 -0.290 3.035 -0.595 280 HD13 LEU 35 3HD1 LEU 35 -0.518 2.861 -2.327 281 HD21 LEU 35 1HD2 LEU 35 2.024 5.283 -3.398 282 HD22 LEU 35 2HD2 LEU 35 0.307 5.643 -3.271 283 HD23 LEU 35 3HD2 LEU 35 0.838 4.093 -3.926 284 H ALA 36 H ALA 36 2.899 8.297 -0.478 285 HA ALA 36 HA ALA 36 3.507 8.943 -3.114 286 HB1 ALA 36 1HB ALA 36 4.234 10.496 -0.604 287 HB2 ALA 36 2HB ALA 36 2.703 10.579 -1.461 288 HB3 ALA 36 3HB ALA 36 4.167 11.152 -2.246 289 H THR 37 H THR 37 5.713 8.662 -0.306 290 HA THR 37 HA THR 37 8.141 9.088 -1.647 291 HB THR 37 HB THR 37 7.711 7.426 0.866 292 HG1 THR 37 HG1 THR 37 8.524 10.103 0.935 293 HG21 THR 37 1HG2 THR 37 10.171 8.937 -0.123 294 HG22 THR 37 2HG2 THR 37 9.991 7.177 -0.079 295 HG23 THR 37 3HG2 THR 37 10.032 8.113 1.418 296 H ALA 38 H ALA 38 6.306 6.142 -0.981 297 HA ALA 38 HA ALA 38 8.172 4.260 -2.013 298 HB1 ALA 38 1HB ALA 38 5.173 3.991 -1.612 299 HB2 ALA 38 2HB ALA 38 6.418 3.634 -0.419 300 HB3 ALA 38 3HB ALA 38 6.299 2.660 -1.885 301 H LEU 39 H LEU 39 5.695 6.255 -3.590 302 HA LEU 39 HA LEU 39 5.827 4.906 -6.130 303 HB2 LEU 39 2HB LEU 39 4.936 7.759 -5.538 304 HB3 LEU 39 1HB LEU 39 4.768 6.977 -7.094 305 HG LEU 39 HG LEU 39 3.276 6.183 -4.562 306 HD11 LEU 39 1HD1 LEU 39 1.284 7.101 -5.652 307 HD12 LEU 39 2HD1 LEU 39 2.285 7.677 -6.989 308 HD13 LEU 39 3HD1 LEU 39 2.518 8.328 -5.364 309 HD21 LEU 39 1HD2 LEU 39 3.135 5.017 -7.356 310 HD22 LEU 39 2HD2 LEU 39 1.812 4.868 -6.203 311 HD23 LEU 39 3HD2 LEU 39 3.371 4.167 -5.822 312 H GLU 40 H GLU 40 7.515 7.614 -4.637 313 HA GLU 40 HA GLU 40 8.947 8.391 -7.002 314 HB2 GLU 40 2HB GLU 40 9.562 9.070 -4.087 315 HB3 GLU 40 1HB GLU 40 10.249 9.862 -5.502 316 HG2 GLU 40 2HG GLU 40 7.360 9.939 -4.604 317 HG3 GLU 40 1HG GLU 40 8.516 11.266 -4.568 318 H LYS 41 H LYS 41 9.531 6.060 -4.451 319 HA LYS 41 HA LYS 41 12.297 5.593 -5.305 320 HB2 LYS 41 2HB LYS 41 10.591 4.257 -3.174 321 HB3 LYS 41 1HB LYS 41 12.239 3.769 -3.571 322 HG2 LYS 41 2HG LYS 41 12.914 6.193 -3.063 323 HG3 LYS 41 1HG LYS 41 11.303 6.361 -2.327 324 HD2 LYS 41 2HD LYS 41 11.805 4.476 -0.770 325 HD3 LYS 41 1HD LYS 41 13.350 4.216 -1.556 326 HE2 LYS 41 2HE LYS 41 14.264 6.279 -0.554 327 HE3 LYS 41 1HE LYS 41 12.689 6.696 0.137 328 HZ1 LYS 41 1HZ LYS 41 14.179 5.666 1.728 329 HZ2 LYS 41 2HZ LYS 41 14.253 4.267 0.794 330 HZ3 LYS 41 3HZ LYS 41 12.790 4.732 1.490 331 H ASP 42 H ASP 42 13.024 3.534 -6.037 332 HA ASP 42 HA ASP 42 11.342 2.426 -8.110 333 HB2 ASP 42 2HB ASP 42 14.183 1.702 -7.237 334 HB3 ASP 42 1HB ASP 42 13.380 1.050 -8.661 335 H ILE 43 H ILE 43 9.714 1.187 -7.274 336 HA ILE 43 HA ILE 43 10.355 -0.999 -5.372 337 HB ILE 43 HB ILE 43 7.895 -1.133 -4.964 338 HG12 ILE 43 2HG1 ILE 43 7.728 1.295 -6.819 339 HG13 ILE 43 1HG1 ILE 43 6.967 -0.273 -7.070 340 HG21 ILE 43 1HG2 ILE 43 7.709 0.926 -3.620 341 HG22 ILE 43 2HG2 ILE 43 9.043 1.647 -4.525 342 HG23 ILE 43 3HG2 ILE 43 9.328 0.245 -3.508 343 HD11 ILE 43 1HD1 ILE 43 5.613 0.169 -4.986 344 HD12 ILE 43 2HD1 ILE 43 5.292 1.217 -6.353 345 HD13 ILE 43 3HD1 ILE 43 6.264 1.811 -5.015 346 H SER 44 H SER 44 9.172 -3.091 -5.757 347 HA SER 44 HA SER 44 9.924 -4.171 -8.298 348 HB2 SER 44 2HB SER 44 8.948 -6.339 -7.287 349 HB3 SER 44 1HB SER 44 10.171 -5.549 -6.308 350 HG SER 44 HG SER 44 8.524 -4.695 -5.026 351 H GLN 45 H GLN 45 8.542 -5.185 -9.943 352 HA GLN 45 HA GLN 45 6.566 -3.642 -10.942 353 HB2 GLN 45 2HB GLN 45 7.677 -5.318 -12.287 354 HB3 GLN 45 1HB GLN 45 6.921 -6.629 -11.392 355 HG2 GLN 45 2HG GLN 45 4.742 -6.083 -12.309 356 HG3 GLN 45 1HG GLN 45 5.375 -4.617 -13.054 357 HE21 GLN 45 1HE2 GLN 45 6.763 -4.810 -14.857 358 HE22 GLN 45 2HE2 GLN 45 6.771 -6.228 -15.841 359 H GLU 46 H GLU 46 6.008 -6.331 -8.688 360 HA GLU 46 HA GLU 46 3.126 -6.342 -9.033 361 HB2 GLU 46 2HB GLU 46 4.878 -7.824 -7.023 362 HB3 GLU 46 1HB GLU 46 3.154 -8.088 -7.243 363 HG2 GLU 46 2HG GLU 46 4.365 -9.873 -8.326 364 HG3 GLU 46 1HG GLU 46 3.582 -8.877 -9.553 365 H GLU 47 H GLU 47 5.444 -4.819 -7.018 366 HA GLU 47 HA GLU 47 3.695 -4.170 -4.793 367 HB2 GLU 47 2HB GLU 47 6.108 -4.658 -4.469 368 HB3 GLU 47 1HB GLU 47 6.551 -3.331 -5.511 369 HG2 GLU 47 2HG GLU 47 5.812 -1.732 -3.847 370 HG3 GLU 47 1HG GLU 47 5.202 -3.029 -2.818 371 H ARG 48 H ARG 48 5.192 -2.495 -7.550 372 HA ARG 48 HA ARG 48 4.005 0.030 -7.447 373 HB2 ARG 48 2HB ARG 48 5.742 -0.341 -9.050 374 HB3 ARG 48 1HB ARG 48 4.929 -1.740 -9.712 375 HG2 ARG 48 2HG ARG 48 4.807 0.030 -11.329 376 HG3 ARG 48 1HG ARG 48 3.189 -0.252 -10.697 377 HD2 ARG 48 2HD ARG 48 3.405 1.731 -9.258 378 HD3 ARG 48 1HD ARG 48 5.043 2.001 -9.873 379 HE ARG 48 HE ARG 48 3.141 1.918 -11.987 380 HH11 ARG 48 1HH1 ARG 48 4.303 4.010 -9.402 381 HH12 ARG 48 2HH1 ARG 48 3.852 5.471 -10.225 382 HH21 ARG 48 1HH2 ARG 48 2.525 3.840 -13.031 383 HH22 ARG 48 2HH2 ARG 48 2.842 5.371 -12.275 384 H ASN 49 H ASN 49 2.889 -2.994 -8.931 385 HA ASN 49 HA ASN 49 0.451 -2.171 -10.011 386 HB2 ASN 49 2HB ASN 49 1.660 -4.340 -10.435 387 HB3 ASN 49 1HB ASN 49 1.148 -4.905 -8.854 388 HD21 ASN 49 1HD2 ASN 49 0.644 -6.033 -11.483 389 HD22 ASN 49 2HD2 ASN 49 -1.076 -6.139 -11.635 390 H ALA 50 H ALA 50 1.138 -3.569 -6.789 391 HA ALA 50 HA ALA 50 -1.488 -3.645 -5.796 392 HB1 ALA 50 1HB ALA 50 1.115 -3.437 -4.250 393 HB2 ALA 50 2HB ALA 50 0.388 -4.926 -4.858 394 HB3 ALA 50 3HB ALA 50 -0.442 -3.992 -3.613 395 H LEU 51 H LEU 51 1.059 -1.125 -5.322 396 HA LEU 51 HA LEU 51 -0.596 0.507 -3.633 397 HB2 LEU 51 2HB LEU 51 1.957 1.307 -5.085 398 HB3 LEU 51 1HB LEU 51 1.188 2.213 -3.798 399 HG LEU 51 HG LEU 51 2.627 -0.460 -3.526 400 HD11 LEU 51 1HD1 LEU 51 4.103 1.503 -3.773 401 HD12 LEU 51 2HD1 LEU 51 4.246 0.763 -2.186 402 HD13 LEU 51 3HD1 LEU 51 3.331 2.261 -2.381 403 HD21 LEU 51 1HD2 LEU 51 0.875 -0.602 -1.892 404 HD22 LEU 51 2HD2 LEU 51 1.107 1.075 -1.388 405 HD23 LEU 51 3HD2 LEU 51 2.331 -0.138 -1.027 406 H ASN 52 H ASN 52 -0.080 0.382 -7.103 407 HA ASN 52 HA ASN 52 -1.411 2.808 -7.761 408 HB2 ASN 52 2HB ASN 52 -0.823 0.310 -9.367 409 HB3 ASN 52 1HB ASN 52 -1.842 1.585 -10.034 410 HD21 ASN 52 1HD2 ASN 52 -0.384 2.012 -11.661 411 HD22 ASN 52 2HD2 ASN 52 1.113 2.819 -11.393 412 H ILE 53 H ILE 53 -2.534 -0.560 -7.431 413 HA ILE 53 HA ILE 53 -5.267 -0.213 -8.062 414 HB ILE 53 HB ILE 53 -3.883 -2.239 -6.242 415 HG12 ILE 53 2HG1 ILE 53 -5.116 -2.560 -9.021 416 HG13 ILE 53 1HG1 ILE 53 -3.400 -2.481 -8.658 417 HG21 ILE 53 1HG2 ILE 53 -6.149 -2.038 -5.352 418 HG22 ILE 53 2HG2 ILE 53 -5.989 -3.581 -6.187 419 HG23 ILE 53 3HG2 ILE 53 -6.843 -2.245 -6.960 420 HD11 ILE 53 1HD1 ILE 53 -5.275 -4.678 -7.776 421 HD12 ILE 53 2HD1 ILE 53 -3.543 -4.587 -7.436 422 HD13 ILE 53 3HD1 ILE 53 -4.107 -4.753 -9.097 423 H ALA 54 H ALA 54 -3.438 0.175 -5.094 424 HA ALA 54 HA ALA 54 -5.566 0.510 -3.261 425 HB1 ALA 54 1HB ALA 54 -2.687 1.464 -3.067 426 HB2 ALA 54 2HB ALA 54 -3.292 -0.115 -2.565 427 HB3 ALA 54 3HB ALA 54 -3.835 1.335 -1.720 428 H GLU 55 H GLU 55 -3.430 2.915 -4.876 429 HA GLU 55 HA GLU 55 -4.641 5.159 -3.611 430 HB2 GLU 55 2HB GLU 55 -2.354 5.381 -4.283 431 HB3 GLU 55 1HB GLU 55 -2.728 4.978 -5.953 432 HG2 GLU 55 2HG GLU 55 -3.909 7.083 -6.266 433 HG3 GLU 55 1HG GLU 55 -3.734 7.481 -4.562 434 H LYS 56 H LYS 56 -4.991 3.786 -6.899 435 HA LYS 56 HA LYS 56 -6.662 5.778 -7.945 436 HB2 LYS 56 2HB LYS 56 -7.186 4.330 -9.756 437 HB3 LYS 56 1HB LYS 56 -5.535 3.954 -9.288 438 HG2 LYS 56 2HG LYS 56 -6.347 1.920 -8.108 439 HG3 LYS 56 1HG LYS 56 -7.995 2.303 -8.612 440 HD2 LYS 56 2HD LYS 56 -7.055 0.606 -10.100 441 HD3 LYS 56 1HD LYS 56 -7.295 2.106 -10.999 442 HE2 LYS 56 2HE LYS 56 -4.849 2.610 -10.676 443 HE3 LYS 56 1HE LYS 56 -4.670 1.033 -9.906 444 HZ1 LYS 56 1HZ LYS 56 -5.489 0.043 -12.005 445 HZ2 LYS 56 2HZ LYS 56 -4.019 0.851 -12.166 446 HZ3 LYS 56 3HZ LYS 56 -5.446 1.565 -12.720 447 H ALA 57 H ALA 57 -7.346 3.049 -5.896 448 HA ALA 57 HA ALA 57 -10.216 3.263 -6.033 449 HB1 ALA 57 1HB ALA 57 -10.165 1.531 -4.265 450 HB2 ALA 57 2HB ALA 57 -8.404 1.655 -4.234 451 HB3 ALA 57 3HB ALA 57 -9.217 1.086 -5.692 452 H LEU 58 H LEU 58 -7.629 4.483 -3.867 453 HA LEU 58 HA LEU 58 -9.292 5.495 -1.778 454 HB2 LEU 58 2HB LEU 58 -6.755 6.871 -2.775 455 HB3 LEU 58 1HB LEU 58 -7.485 7.069 -1.192 456 HG LEU 58 HG LEU 58 -5.868 4.663 -2.223 457 HD11 LEU 58 1HD1 LEU 58 -5.152 6.473 0.104 458 HD12 LEU 58 2HD1 LEU 58 -4.415 6.501 -1.507 459 HD13 LEU 58 3HD1 LEU 58 -4.242 5.085 -0.488 460 HD21 LEU 58 1HD2 LEU 58 -5.977 3.624 0.061 461 HD22 LEU 58 2HD2 LEU 58 -7.477 3.543 -0.827 462 HD23 LEU 58 3HD2 LEU 58 -7.287 4.726 0.478 463 H ASP 59 H ASP 59 -8.290 6.831 -4.886 464 HA ASP 59 HA ASP 59 -9.548 9.394 -4.589 465 HB2 ASP 59 2HB ASP 59 -8.599 7.929 -7.083 466 HB3 ASP 59 1HB ASP 59 -9.176 9.590 -7.079 467 H ASN 60 H ASN 60 -10.581 6.290 -5.885 468 HA ASN 60 HA ASN 60 -13.164 7.326 -6.767 469 HB2 ASN 60 2HB ASN 60 -12.066 4.475 -6.745 470 HB3 ASN 60 1HB ASN 60 -13.673 4.908 -7.325 471 HD21 ASN 60 1HD2 ASN 60 -11.480 3.708 -8.790 472 HD22 ASN 60 2HD2 ASN 60 -11.141 4.775 -10.106 473 H SER 61 H SER 61 -11.763 6.360 -3.858 474 HA SER 61 HA SER 61 -12.504 6.178 -1.753 475 HB2 SER 61 2HB SER 61 -15.056 7.377 -2.882 476 HB3 SER 61 1HB SER 61 -14.619 7.318 -1.167 477 HG SER 61 HG SER 61 -13.140 8.623 -3.224 478 H GLU 62 H GLU 62 -12.653 3.918 -3.333 479 HA GLU 62 HA GLU 62 -15.025 2.385 -2.755 480 HB2 GLU 62 2HB GLU 62 -12.326 1.607 -3.922 481 HB3 GLU 62 1HB GLU 62 -13.672 0.489 -3.747 482 HG2 GLU 62 2HG GLU 62 -13.722 3.012 -5.434 483 HG3 GLU 62 1HG GLU 62 -13.478 1.379 -6.055 484 H TYR 63 H TYR 63 -13.625 3.472 -0.479 485 HA TYR 63 HA TYR 63 -14.013 3.060 1.629 486 HB2 TYR 63 2HB TYR 63 -14.681 0.257 0.708 487 HB3 TYR 63 1HB TYR 63 -14.665 0.675 2.417 488 HD1 TYR 63 HD1 TYR 63 -16.466 1.996 3.385 489 HD2 TYR 63 HD2 TYR 63 -16.350 1.348 -0.836 490 HE1 TYR 63 HE1 TYR 63 -18.743 2.891 3.181 491 HE2 TYR 63 HE2 TYR 63 -18.629 2.240 -1.038 492 HH TYR 63 HH TYR 63 -20.608 2.595 0.337 493 H LEU 64 H LEU 64 -12.897 2.533 3.477 494 HA LEU 64 HA LEU 64 -10.045 2.344 2.857 495 HB2 LEU 64 2HB LEU 64 -11.484 3.469 5.245 496 HB3 LEU 64 1HB LEU 64 -9.998 2.659 5.621 497 HG LEU 64 HG LEU 64 -9.665 5.041 5.555 498 HD11 LEU 64 1HD1 LEU 64 -7.665 5.197 4.410 499 HD12 LEU 64 2HD1 LEU 64 -8.148 4.129 3.113 500 HD13 LEU 64 3HD1 LEU 64 -7.821 3.475 4.719 501 HD21 LEU 64 1HD2 LEU 64 -9.815 6.468 3.601 502 HD22 LEU 64 2HD2 LEU 64 -11.386 5.830 4.020 503 HD23 LEU 64 3HD2 LEU 64 -10.502 5.176 2.640 504 HA PRO 65 HA PRO 65 -10.533 -1.540 5.833 505 HB2 PRO 65 2HB PRO 65 -13.066 -2.692 5.813 506 HB3 PRO 65 1HB PRO 65 -12.488 -1.597 7.082 507 HG2 PRO 65 2HG PRO 65 -14.211 -0.966 4.709 508 HG3 PRO 65 1HG PRO 65 -14.393 -0.446 6.402 509 HD2 PRO 65 2HD PRO 65 -13.338 1.201 4.574 510 HD3 PRO 65 1HD PRO 65 -12.706 1.166 6.234 511 H LYS 66 H LYS 66 -12.412 -1.043 2.845 512 HA LYS 66 HA LYS 66 -12.170 -3.697 1.837 513 HB2 LYS 66 2HB LYS 66 -13.898 -2.179 0.976 514 HB3 LYS 66 1HB LYS 66 -12.678 -1.092 0.334 515 HG2 LYS 66 2HG LYS 66 -13.575 -2.370 -1.498 516 HG3 LYS 66 1HG LYS 66 -11.926 -2.913 -1.214 517 HD2 LYS 66 2HD LYS 66 -13.191 -4.887 -1.633 518 HD3 LYS 66 1HD LYS 66 -12.925 -4.869 0.109 519 HE2 LYS 66 2HE LYS 66 -15.487 -3.883 -1.212 520 HE3 LYS 66 1HE LYS 66 -15.264 -5.527 -0.621 521 HZ1 LYS 66 1HZ LYS 66 -16.408 -4.268 1.041 522 HZ2 LYS 66 2HZ LYS 66 -15.244 -3.043 1.017 523 HZ3 LYS 66 3HZ LYS 66 -14.852 -4.572 1.608 524 H ILE 67 H ILE 67 -10.239 -0.735 1.436 525 HA ILE 67 HA ILE 67 -8.380 -1.966 -0.431 526 HB ILE 67 HB ILE 67 -8.356 0.801 0.847 527 HG12 ILE 67 2HG1 ILE 67 -9.360 -0.121 -1.882 528 HG13 ILE 67 1HG1 ILE 67 -10.395 0.245 -0.516 529 HG21 ILE 67 1HG2 ILE 67 -6.114 0.171 0.011 530 HG22 ILE 67 2HG2 ILE 67 -6.827 1.433 -0.996 531 HG23 ILE 67 3HG2 ILE 67 -6.811 -0.239 -1.558 532 HD11 ILE 67 1HD1 ILE 67 -10.341 2.030 -2.153 533 HD12 ILE 67 2HD1 ILE 67 -8.608 2.234 -1.889 534 HD13 ILE 67 3HD1 ILE 67 -9.750 2.546 -0.583 535 H ILE 68 H ILE 68 -8.495 -1.341 3.009 536 HA ILE 68 HA ILE 68 -5.799 -1.980 3.644 537 HB ILE 68 HB ILE 68 -8.365 -2.028 5.257 538 HG12 ILE 68 2HG1 ILE 68 -5.828 -0.343 5.544 539 HG13 ILE 68 1HG1 ILE 68 -7.298 0.185 4.733 540 HG21 ILE 68 1HG2 ILE 68 -7.018 -2.522 7.314 541 HG22 ILE 68 2HG2 ILE 68 -5.649 -2.914 6.273 542 HG23 ILE 68 3HG2 ILE 68 -7.116 -3.878 6.188 543 HD11 ILE 68 1HD1 ILE 68 -6.904 -0.368 7.657 544 HD12 ILE 68 2HD1 ILE 68 -8.490 -0.141 6.916 545 HD13 ILE 68 3HD1 ILE 68 -7.307 1.157 6.865 546 H LEU 69 H LEU 69 -8.752 -3.839 3.126 547 HA LEU 69 HA LEU 69 -7.660 -6.426 3.584 548 HB2 LEU 69 2HB LEU 69 -10.090 -5.946 3.610 549 HB3 LEU 69 1HB LEU 69 -10.018 -5.566 1.897 550 HG LEU 69 HG LEU 69 -9.425 -7.926 1.337 551 HD11 LEU 69 1HD1 LEU 69 -8.211 -8.554 3.385 552 HD12 LEU 69 2HD1 LEU 69 -9.420 -9.744 2.925 553 HD13 LEU 69 3HD1 LEU 69 -9.741 -8.652 4.270 554 HD21 LEU 69 1HD2 LEU 69 -11.843 -7.411 1.305 555 HD22 LEU 69 2HD2 LEU 69 -11.976 -7.881 3.006 556 HD23 LEU 69 3HD2 LEU 69 -11.536 -9.073 1.789 557 H ASN 70 H ASN 70 -7.958 -4.336 0.679 558 HA ASN 70 HA ASN 70 -7.124 -6.268 -1.233 559 HB2 ASN 70 2HB ASN 70 -6.928 -3.219 -1.455 560 HB3 ASN 70 1HB ASN 70 -6.670 -4.345 -2.783 561 HD21 ASN 70 1HD2 ASN 70 -8.608 -2.214 -2.541 562 HD22 ASN 70 2HD2 ASN 70 -10.165 -2.940 -2.719 563 H LEU 71 H LEU 71 -5.281 -3.948 0.756 564 HA LEU 71 HA LEU 71 -2.758 -4.552 -0.512 565 HB2 LEU 71 2HB LEU 71 -3.627 -2.751 1.739 566 HB3 LEU 71 1HB LEU 71 -1.938 -3.199 1.682 567 HG LEU 71 HG LEU 71 -3.273 -1.869 -0.707 568 HD11 LEU 71 1HD1 LEU 71 -2.389 0.305 0.125 569 HD12 LEU 71 2HD1 LEU 71 -1.993 -0.465 1.664 570 HD13 LEU 71 3HD1 LEU 71 -3.672 -0.345 1.138 571 HD21 LEU 71 1HD2 LEU 71 -1.107 -2.804 -1.258 572 HD22 LEU 71 2HD2 LEU 71 -0.386 -2.143 0.204 573 HD23 LEU 71 3HD2 LEU 71 -0.896 -1.069 -1.094 574 H ARG 72 H ARG 72 -4.569 -5.611 2.300 575 HA ARG 72 HA ARG 72 -2.342 -7.136 3.382 576 HB2 ARG 72 2HB ARG 72 -4.141 -6.143 4.868 577 HB3 ARG 72 1HB ARG 72 -5.284 -7.319 4.223 578 HG2 ARG 72 2HG ARG 72 -3.948 -9.158 5.130 579 HG3 ARG 72 1HG ARG 72 -2.730 -8.016 5.701 580 HD2 ARG 72 2HD ARG 72 -4.379 -7.021 7.244 581 HD3 ARG 72 1HD ARG 72 -5.612 -8.151 6.665 582 HE ARG 72 HE ARG 72 -3.768 -9.865 7.436 583 HH11 ARG 72 1HH1 ARG 72 -4.883 -7.017 9.214 584 HH12 ARG 72 2HH1 ARG 72 -4.515 -7.717 10.757 585 HH21 ARG 72 1HH2 ARG 72 -3.204 -10.681 9.403 586 HH22 ARG 72 2HH2 ARG 72 -3.562 -9.794 10.846 587 H LYS 73 H LYS 73 -4.794 -7.686 0.971 588 HA LYS 73 HA LYS 73 -4.499 -10.595 1.025 589 HB2 LYS 73 2HB LYS 73 -6.701 -9.364 0.421 590 HB3 LYS 73 1HB LYS 73 -5.967 -8.978 -1.122 591 HG2 LYS 73 2HG LYS 73 -6.274 -11.834 -0.140 592 HG3 LYS 73 1HG LYS 73 -7.553 -11.005 -1.024 593 HD2 LYS 73 2HD LYS 73 -6.068 -10.745 -2.971 594 HD3 LYS 73 1HD LYS 73 -4.738 -11.490 -2.082 595 HE2 LYS 73 2HE LYS 73 -5.733 -13.104 -3.616 596 HE3 LYS 73 1HE LYS 73 -6.031 -13.603 -1.950 597 HZ1 LYS 73 1HZ LYS 73 -8.273 -12.702 -2.126 598 HZ2 LYS 73 2HZ LYS 73 -8.007 -13.851 -3.335 599 HZ3 LYS 73 3HZ LYS 73 -7.983 -12.204 -3.709 600 H ALA 74 H ALA 74 -3.344 -7.776 -0.733 601 HA ALA 74 HA ALA 74 -1.990 -9.244 -2.826 602 HB1 ALA 74 1HB ALA 74 -2.851 -6.957 -3.221 603 HB2 ALA 74 2HB ALA 74 -1.116 -7.052 -3.533 604 HB3 ALA 74 3HB ALA 74 -1.709 -6.317 -2.039 605 H LEU 75 H LEU 75 -0.926 -7.559 0.145 606 HA LEU 75 HA LEU 75 1.875 -8.053 -0.527 607 HB2 LEU 75 2HB LEU 75 0.576 -6.177 1.450 608 HB3 LEU 75 1HB LEU 75 2.250 -6.626 1.677 609 HG LEU 75 HG LEU 75 2.855 -5.669 -0.516 610 HD11 LEU 75 1HD1 LEU 75 0.821 -5.993 -1.787 611 HD12 LEU 75 2HD1 LEU 75 1.307 -4.300 -1.823 612 HD13 LEU 75 3HD1 LEU 75 -0.021 -4.810 -0.782 613 HD21 LEU 75 1HD2 LEU 75 2.593 -3.295 0.034 614 HD22 LEU 75 2HD2 LEU 75 2.995 -4.236 1.467 615 HD23 LEU 75 3HD2 LEU 75 1.334 -3.692 1.207 616 H THR 76 H THR 76 -0.441 -9.410 1.704 617 HA THR 76 HA THR 76 1.401 -10.431 3.574 618 HB THR 76 HB THR 76 -1.388 -11.395 2.897 619 HG1 THR 76 HG1 THR 76 -0.232 -9.592 4.598 620 HG21 THR 76 1HG2 THR 76 0.398 -12.438 5.140 621 HG22 THR 76 2HG2 THR 76 -0.199 -13.380 3.770 622 HG23 THR 76 3HG2 THR 76 -1.326 -12.757 4.974 623 HA PRO 77 HA PRO 77 1.697 -14.577 0.898 624 HB2 PRO 77 2HB PRO 77 1.202 -13.581 -1.895 625 HB3 PRO 77 1HB PRO 77 0.686 -15.098 -1.134 626 HG2 PRO 77 2HG PRO 77 -1.084 -13.171 -1.602 627 HG3 PRO 77 1HG PRO 77 -1.153 -14.129 -0.103 628 HD2 PRO 77 2HD PRO 77 -0.048 -11.348 -0.505 629 HD3 PRO 77 1HD PRO 77 -1.096 -11.971 0.773 630 H LEU 78 H LEU 78 2.508 -11.480 -0.676 631 HA LEU 78 HA LEU 78 5.026 -12.341 -1.723 632 HB2 LEU 78 2HB LEU 78 4.274 -9.437 -1.182 633 HB3 LEU 78 1HB LEU 78 5.509 -10.018 -2.285 634 HG LEU 78 HG LEU 78 2.488 -10.342 -2.676 635 HD11 LEU 78 1HD1 LEU 78 2.612 -8.759 -4.462 636 HD12 LEU 78 2HD1 LEU 78 4.360 -8.611 -4.302 637 HD13 LEU 78 3HD1 LEU 78 3.305 -8.005 -3.031 638 HD21 LEU 78 1HD2 LEU 78 4.738 -11.184 -4.567 639 HD22 LEU 78 2HD2 LEU 78 3.022 -11.157 -4.970 640 HD23 LEU 78 3HD2 LEU 78 3.606 -12.253 -3.738 641 H ALA 79 H ALA 79 4.037 -10.981 1.326 642 HA ALA 79 HA ALA 79 6.607 -10.297 2.356 643 HB1 ALA 79 1HB ALA 79 4.532 -9.408 3.351 644 HB2 ALA 79 2HB ALA 79 5.496 -10.260 4.562 645 HB3 ALA 79 3HB ALA 79 4.067 -11.030 3.864 646 H ILE 80 H ILE 80 4.492 -13.148 2.761 647 HA ILE 80 HA ILE 80 6.190 -14.724 4.383 648 HB ILE 80 HB ILE 80 3.997 -15.625 2.441 649 HG12 ILE 80 2HG1 ILE 80 3.831 -15.149 5.467 650 HG13 ILE 80 1HG1 ILE 80 3.184 -14.078 4.233 651 HG21 ILE 80 1HG2 ILE 80 5.456 -17.532 2.934 652 HG22 ILE 80 2HG2 ILE 80 3.905 -17.749 3.744 653 HG23 ILE 80 3HG2 ILE 80 5.317 -17.232 4.669 654 HD11 ILE 80 1HD1 ILE 80 2.261 -16.890 4.791 655 HD12 ILE 80 2HD1 ILE 80 1.631 -15.825 3.530 656 HD13 ILE 80 3HD1 ILE 80 1.435 -15.392 5.227 657 H ASN 81 H ASN 81 5.794 -14.579 0.861 658 HA ASN 81 HA ASN 81 7.776 -16.557 0.215 659 HB2 ASN 81 2HB ASN 81 6.367 -14.433 -1.460 660 HB3 ASN 81 1HB ASN 81 7.536 -15.561 -2.146 661 HD21 ASN 81 1HD2 ASN 81 5.868 -16.332 -3.524 662 HD22 ASN 81 2HD2 ASN 81 4.651 -17.409 -2.936 663 H ARG 82 H ARG 82 7.908 -13.189 1.054 664 HA ARG 82 HA ARG 82 9.626 -11.802 1.518 665 HB2 ARG 82 2HB ARG 82 11.358 -14.309 1.291 666 HB3 ARG 82 1HB ARG 82 11.927 -12.772 1.928 667 HG2 ARG 82 2HG ARG 82 10.402 -12.950 3.836 668 HG3 ARG 82 1HG ARG 82 9.694 -14.428 3.182 669 HD2 ARG 82 2HD ARG 82 11.862 -15.591 3.443 670 HD3 ARG 82 1HD ARG 82 12.586 -14.105 4.069 671 HE ARG 82 HE ARG 82 10.315 -15.413 5.450 672 HH11 ARG 82 1HH1 ARG 82 13.613 -14.154 5.531 673 HH12 ARG 82 2HH1 ARG 82 13.778 -14.341 7.249 674 HH21 ARG 82 1HH2 ARG 82 10.539 -15.639 7.711 675 HH22 ARG 82 2HH2 ARG 82 12.024 -15.182 8.486 676 H THR 83 H THR 83 8.812 -11.317 -0.885 677 HA THR 83 HA THR 83 11.303 -10.658 -2.367 678 HB THR 83 HB THR 83 10.194 -12.563 -3.553 679 HG1 THR 83 HG1 THR 83 9.907 -10.236 -5.160 680 HG21 THR 83 1HG2 THR 83 7.893 -10.631 -4.016 681 HG22 THR 83 2HG2 THR 83 7.844 -12.076 -3.005 682 HG23 THR 83 3HG2 THR 83 8.070 -12.225 -4.746 683 H LEU 84 H LEU 84 9.042 -9.409 -0.577 684 HA LEU 84 HA LEU 84 8.266 -7.058 -2.110 685 HB2 LEU 84 2HB LEU 84 6.948 -8.271 -0.247 686 HB3 LEU 84 1HB LEU 84 8.064 -7.553 0.892 687 HG LEU 84 HG LEU 84 6.481 -5.735 -0.950 688 HD11 LEU 84 1HD1 LEU 84 4.630 -5.672 0.663 689 HD12 LEU 84 2HD1 LEU 84 5.379 -6.978 1.586 690 HD13 LEU 84 3HD1 LEU 84 4.816 -7.268 -0.063 691 HD21 LEU 84 1HD2 LEU 84 7.394 -5.366 1.928 692 HD22 LEU 84 2HD2 LEU 84 6.587 -4.159 0.921 693 HD23 LEU 84 3HD2 LEU 84 8.205 -4.711 0.508 694 H ASN 85 H ASN 85 9.354 -5.046 -2.007 695 HA ASN 85 HA ASN 85 12.161 -5.103 -1.607 696 HB2 ASN 85 2HB ASN 85 11.102 -3.385 -3.100 697 HB3 ASN 85 1HB ASN 85 10.479 -2.543 -1.675 698 HD21 ASN 85 1HD2 ASN 85 11.639 -0.643 -2.034 699 HD22 ASN 85 2HD2 ASN 85 13.356 -0.552 -1.951 700 H HIS 86 H HIS 86 9.594 -4.088 0.559 701 HA HIS 86 HA HIS 86 9.428 -4.291 2.805 702 HB2 HIS 86 2HB HIS 86 11.124 -6.097 2.711 703 HB3 HIS 86 1HB HIS 86 12.413 -4.910 2.854 704 HD1 HIS 86 HD1 HIS 86 12.782 -3.852 5.194 705 HD2 HIS 86 HD2 HIS 86 9.791 -6.730 5.093 706 HE1 HIS 86 HE1 HIS 86 12.273 -4.382 7.589 707 HE2 HIS 86 HE2 HIS 86 10.589 -6.239 7.493 708 H ASP 87 H ASP 87 11.317 -2.039 1.212 709 HA ASP 87 HA ASP 87 12.232 -0.400 3.323 710 HB2 ASP 87 2HB ASP 87 13.261 -0.230 1.105 711 HB3 ASP 87 1HB ASP 87 11.759 0.311 0.369 712 H LEU 88 H LEU 88 9.029 -0.942 2.329 713 HA LEU 88 HA LEU 88 8.126 1.313 3.989 714 HB2 LEU 88 2HB LEU 88 6.016 1.422 2.657 715 HB3 LEU 88 1HB LEU 88 7.426 2.025 1.816 716 HG LEU 88 HG LEU 88 6.621 -0.839 1.251 717 HD11 LEU 88 1HD1 LEU 88 4.962 -0.142 -0.412 718 HD12 LEU 88 2HD1 LEU 88 5.136 1.538 0.092 719 HD13 LEU 88 3HD1 LEU 88 4.475 0.342 1.210 720 HD21 LEU 88 1HD2 LEU 88 7.589 1.362 -0.611 721 HD22 LEU 88 2HD2 LEU 88 7.494 -0.365 -0.955 722 HD23 LEU 88 3HD2 LEU 88 8.659 0.235 0.215 723 H SER 89 H SER 89 8.848 -1.231 4.874 724 HA SER 89 HA SER 89 6.711 -3.045 5.166 725 HB2 SER 89 2HB SER 89 9.132 -3.540 5.676 726 HB3 SER 89 1HB SER 89 8.971 -2.600 7.158 727 HG SER 89 HG SER 89 7.381 -4.092 7.849 728 H GLU 90 H GLU 90 7.495 -0.050 6.770 729 HA GLU 90 HA GLU 90 5.816 -0.299 9.039 730 HB2 GLU 90 2HB GLU 90 7.736 1.306 8.845 731 HB3 GLU 90 1HB GLU 90 6.789 2.270 7.716 732 HG2 GLU 90 2HG GLU 90 6.724 3.248 9.963 733 HG3 GLU 90 1HG GLU 90 5.120 2.713 9.475 734 H LEU 91 H LEU 91 5.143 0.518 5.696 735 HA LEU 91 HA LEU 91 2.538 1.669 6.093 736 HB2 LEU 91 2HB LEU 91 4.070 1.784 3.987 737 HB3 LEU 91 1HB LEU 91 3.481 0.188 3.593 738 HG LEU 91 HG LEU 91 2.379 2.069 2.320 739 HD11 LEU 91 1HD1 LEU 91 0.396 0.475 3.966 740 HD12 LEU 91 2HD1 LEU 91 1.176 -0.058 2.478 741 HD13 LEU 91 3HD1 LEU 91 0.067 1.309 2.446 742 HD21 LEU 91 1HD2 LEU 91 2.334 3.785 4.042 743 HD22 LEU 91 2HD2 LEU 91 1.190 2.846 5.000 744 HD23 LEU 91 3HD2 LEU 91 0.701 3.499 3.442 745 H TYR 92 H TYR 92 3.814 -1.589 5.506 746 HA TYR 92 HA TYR 92 1.360 -3.005 5.367 747 HB2 TYR 92 2HB TYR 92 3.498 -3.901 4.503 748 HB3 TYR 92 1HB TYR 92 4.133 -3.975 6.141 749 HD1 TYR 92 HD1 TYR 92 4.294 -6.173 6.959 750 HD2 TYR 92 HD2 TYR 92 0.997 -5.180 4.415 751 HE1 TYR 92 HE1 TYR 92 3.457 -8.472 7.141 752 HE2 TYR 92 HE2 TYR 92 0.162 -7.478 4.604 753 HH TYR 92 HH TYR 92 1.190 -9.627 6.890 754 H LYS 93 H LYS 93 3.470 -2.017 7.969 755 HA LYS 93 HA LYS 93 2.036 -3.426 10.081 756 HB2 LYS 93 2HB LYS 93 4.522 -1.758 9.947 757 HB3 LYS 93 1HB LYS 93 3.663 -1.717 11.476 758 HG2 LYS 93 2HG LYS 93 4.605 -4.275 10.130 759 HG3 LYS 93 1HG LYS 93 5.506 -3.408 11.370 760 HD2 LYS 93 2HD LYS 93 2.670 -4.387 11.863 761 HD3 LYS 93 1HD LYS 93 4.068 -5.437 12.092 762 HE2 LYS 93 2HE LYS 93 3.472 -4.495 14.232 763 HE3 LYS 93 1HE LYS 93 4.994 -3.769 13.724 764 HZ1 LYS 93 1HZ LYS 93 2.317 -2.496 13.490 765 HZ2 LYS 93 2HZ LYS 93 3.786 -1.794 13.048 766 HZ3 LYS 93 3HZ LYS 93 3.476 -2.145 14.664 767 H PHE 94 H PHE 94 1.969 -0.323 8.550 768 HA PHE 94 HA PHE 94 0.610 1.171 10.539 769 HB2 PHE 94 2HB PHE 94 1.808 2.210 8.632 770 HB3 PHE 94 1HB PHE 94 0.636 1.537 7.511 771 HD1 PHE 94 HD1 PHE 94 1.011 3.944 10.357 772 HD2 PHE 94 HD2 PHE 94 -1.354 2.728 7.011 773 HE1 PHE 94 HE1 PHE 94 -0.348 5.978 10.575 774 HE2 PHE 94 HE2 PHE 94 -2.720 4.740 7.254 775 HZ PHE 94 HZ PHE 94 -2.211 6.384 9.020 776 H ILE 95 H ILE 95 -0.557 -0.761 7.724 777 HA ILE 95 HA ILE 95 -3.324 -0.166 8.256 778 HB ILE 95 HB ILE 95 -3.972 -1.624 6.508 779 HG12 ILE 95 2HG1 ILE 95 -1.286 -3.052 6.768 780 HG13 ILE 95 1HG1 ILE 95 -2.903 -3.709 6.949 781 HG21 ILE 95 1HG2 ILE 95 -2.581 -0.885 4.592 782 HG22 ILE 95 2HG2 ILE 95 -1.341 -0.339 5.730 783 HG23 ILE 95 3HG2 ILE 95 -2.939 0.402 5.742 784 HD11 ILE 95 1HD1 ILE 95 -1.904 -4.464 4.899 785 HD12 ILE 95 2HD1 ILE 95 -1.665 -2.804 4.359 786 HD13 ILE 95 3HD1 ILE 95 -3.300 -3.441 4.563 787 H THR 96 H THR 96 -1.189 -2.099 9.973 788 HA THR 96 HA THR 96 -3.373 -3.721 11.158 789 HB THR 96 HB THR 96 -1.470 -5.160 12.102 790 HG1 THR 96 HG1 THR 96 0.150 -4.195 10.015 791 HG21 THR 96 1HG2 THR 96 -1.209 -6.561 10.167 792 HG22 THR 96 2HG2 THR 96 -1.563 -5.232 9.082 793 HG23 THR 96 3HG2 THR 96 -2.844 -5.883 10.102 794 H SER 97 H SER 97 -1.744 -0.894 11.674 795 HA SER 97 HA SER 97 -0.583 -1.170 14.270 796 HB2 SER 97 2HB SER 97 -0.381 1.254 14.260 797 HB3 SER 97 1HB SER 97 -0.072 0.701 12.619 798 HG SER 97 HG SER 97 -2.129 1.366 12.035 799 H SER 98 H SER 98 -1.337 -0.062 16.258 800 HA SER 98 HA SER 98 -3.890 -0.883 17.089 801 HB2 SER 98 2HB SER 98 -1.998 1.118 18.403 802 HB3 SER 98 1HB SER 98 -3.420 0.415 19.177 803 HG SER 98 HG SER 98 -1.964 -1.566 18.160 804 H LYS 99 H LYS 99 -2.871 2.059 15.568 805 HA LYS 99 HA LYS 99 -4.934 3.838 16.235 806 HB2 LYS 99 2HB LYS 99 -2.874 4.533 15.057 807 HB3 LYS 99 1HB LYS 99 -3.337 3.587 13.645 808 HG2 LYS 99 2HG LYS 99 -3.752 5.960 13.258 809 HG3 LYS 99 1HG LYS 99 -5.280 5.072 13.277 810 HD2 LYS 99 2HD LYS 99 -5.715 5.848 15.577 811 HD3 LYS 99 1HD LYS 99 -4.161 6.685 15.610 812 HE2 LYS 99 2HE LYS 99 -4.939 8.154 13.763 813 HE3 LYS 99 1HE LYS 99 -6.497 7.323 13.778 814 HZ1 LYS 99 1HZ LYS 99 -6.820 8.065 16.051 815 HZ2 LYS 99 2HZ LYS 99 -6.583 9.378 15.017 816 HZ3 LYS 99 3HZ LYS 99 -5.337 8.862 16.031 817 H ALA 100 H ALA 100 -4.702 1.383 13.670 818 HA ALA 100 HA ALA 100 -7.426 1.744 12.740 819 HB1 ALA 100 1HB ALA 100 -5.368 -0.399 12.135 820 HB2 ALA 100 2HB ALA 100 -5.695 1.048 11.176 821 HB3 ALA 100 3HB ALA 100 -6.923 -0.206 11.322 822 H SER 101 H SER 101 -5.601 -0.729 14.428 823 HA SER 101 HA SER 101 -5.965 -2.318 15.928 824 HB2 SER 101 2HB SER 101 -7.072 -0.574 17.274 825 HB3 SER 101 1HB SER 101 -8.607 -0.901 16.460 826 HG SER 101 HG SER 101 -7.183 -2.494 18.309 827 H ASN 102 H ASN 102 -9.332 -1.985 14.853 828 HA ASN 102 HA ASN 102 -9.447 -4.239 13.182 829 HB2 ASN 102 2HB ASN 102 -8.968 -5.485 15.303 830 HB3 ASN 102 1HB ASN 102 -10.411 -4.798 16.038 831 HD21 ASN 102 1HD2 ASN 102 -12.464 -5.590 15.370 832 HD22 ASN 102 2HD2 ASN 102 -12.626 -7.041 14.445 833 H LYS 103 H LYS 103 -10.954 -2.024 15.410 834 HA LYS 103 HA LYS 103 -13.667 -2.180 14.756 835 HB2 LYS 103 2HB LYS 103 -12.082 0.338 15.443 836 HB3 LYS 103 1HB LYS 103 -13.828 0.142 15.599 837 HG2 LYS 103 2HG LYS 103 -13.550 -1.466 17.386 838 HG3 LYS 103 1HG LYS 103 -11.799 -1.493 17.152 839 HD2 LYS 103 2HD LYS 103 -11.720 0.934 17.833 840 HD3 LYS 103 1HD LYS 103 -13.454 0.866 18.161 841 HE2 LYS 103 2HE LYS 103 -13.051 -0.859 19.891 842 HE3 LYS 103 1HE LYS 103 -11.320 -0.798 19.550 843 HZ1 LYS 103 1HZ LYS 103 -12.972 1.431 20.610 844 HZ2 LYS 103 2HZ LYS 103 -11.336 1.534 20.224 845 HZ3 LYS 103 3HZ LYS 103 -11.838 0.526 21.478 846 H ASN 104 H ASN 104 -14.124 -2.394 12.607 847 HA ASN 104 HA ASN 104 -14.537 -1.984 10.456 848 HB2 ASN 104 2HB ASN 104 -13.650 0.892 10.917 849 HB3 ASN 104 1HB ASN 104 -14.537 0.296 9.517 850 HD21 ASN 104 1HD2 ASN 104 -16.751 -0.474 9.883 851 HD22 ASN 104 2HD2 ASN 104 -17.662 0.165 11.203 852 H LEU 105 H LEU 105 -11.655 0.020 11.085 853 HA LEU 105 HA LEU 105 -10.201 -1.165 8.802 854 HB2 LEU 105 2HB LEU 105 -8.894 0.930 10.562 855 HB3 LEU 105 1HB LEU 105 -8.842 0.752 8.831 856 HG LEU 105 HG LEU 105 -9.784 2.883 9.300 857 HD11 LEU 105 1HD1 LEU 105 -10.935 1.736 7.436 858 HD12 LEU 105 2HD1 LEU 105 -11.884 2.975 8.238 859 HD13 LEU 105 3HD1 LEU 105 -12.231 1.285 8.561 860 HD21 LEU 105 1HD2 LEU 105 -11.745 1.616 11.217 861 HD22 LEU 105 2HD2 LEU 105 -11.761 3.307 10.717 862 HD23 LEU 105 3HD2 LEU 105 -10.388 2.670 11.614 863 H GLY 106 H GLY 106 -8.186 -2.168 9.068 864 HA2 GLY 106 2HA GLY 106 -6.283 -2.887 10.294 865 HA3 GLY 106 1HA GLY 106 -7.180 -2.697 11.797 866 H GLY 107 H GLY 107 -6.595 -4.791 12.468 867 HA2 GLY 107 2HA GLY 107 -8.383 -6.878 11.938 868 HA3 GLY 107 1HA GLY 107 -6.948 -7.159 10.952 869 H GLY 108 H GLY 108 -8.287 -8.174 13.671 870 HA2 GLY 108 2HA GLY 108 -6.349 -7.851 15.720 871 HA3 GLY 108 1HA GLY 108 -7.635 -9.045 15.692 872 H LEU 109 H LEU 109 -6.436 -10.003 13.010 873 HA LEU 109 HA LEU 109 -4.671 -12.037 13.984 874 HB2 LEU 109 2HB LEU 109 -5.238 -11.123 11.127 875 HB3 LEU 109 1HB LEU 109 -4.298 -12.543 11.547 876 HG LEU 109 HG LEU 109 -6.425 -13.358 10.905 877 HD11 LEU 109 1HD1 LEU 109 -6.447 -13.367 13.938 878 HD12 LEU 109 2HD1 LEU 109 -5.551 -14.477 12.898 879 HD13 LEU 109 3HD1 LEU 109 -7.312 -14.485 12.878 880 HD21 LEU 109 1HD2 LEU 109 -7.723 -11.282 10.983 881 HD22 LEU 109 2HD2 LEU 109 -7.782 -11.359 12.745 882 HD23 LEU 109 3HD2 LEU 109 -8.589 -12.597 11.778 883 H ILE 110 H ILE 110 -2.401 -12.234 13.634 884 HA ILE 110 HA ILE 110 -0.926 -9.745 13.758 885 HB ILE 110 HB ILE 110 1.104 -11.257 14.087 886 HG12 ILE 110 2HG1 ILE 110 0.608 -13.758 14.551 887 HG13 ILE 110 1HG1 ILE 110 -0.946 -13.531 13.770 888 HG21 ILE 110 1HG2 ILE 110 -1.289 -11.805 15.890 889 HG22 ILE 110 2HG2 ILE 110 -0.072 -10.536 16.084 890 HG23 ILE 110 3HG2 ILE 110 0.379 -12.224 16.294 891 HD11 ILE 110 1HD1 ILE 110 0.254 -13.031 11.652 892 HD12 ILE 110 2HD1 ILE 110 0.581 -14.639 12.294 893 HD13 ILE 110 3HD1 ILE 110 1.781 -13.366 12.477 894 H MET 111 H MET 111 1.443 -10.076 12.511 895 HA MET 111 HA MET 111 0.846 -10.435 9.620 896 HB2 MET 111 2HB MET 111 2.367 -8.578 9.109 897 HB3 MET 111 1HB MET 111 1.093 -8.031 10.188 898 HG2 MET 111 2HG MET 111 3.932 -8.690 11.019 899 HG3 MET 111 1HG MET 111 3.270 -7.071 10.794 900 HE1 MET 111 1HE MET 111 0.314 -7.383 12.109 901 HE2 MET 111 2HE MET 111 1.387 -6.009 12.401 902 HE3 MET 111 3HE MET 111 0.669 -6.872 13.761 903 H SER 112 H SER 112 2.741 -10.944 8.324 904 HA SER 112 HA SER 112 4.227 -13.117 9.534 905 HB2 SER 112 2HB SER 112 4.946 -13.517 7.103 906 HB3 SER 112 1HB SER 112 3.213 -13.623 7.414 907 HG SER 112 HG SER 112 4.646 -11.503 6.209 908 H TRP 113 H TRP 113 5.847 -12.306 10.757 909 HA TRP 113 HA TRP 113 7.603 -10.180 9.900 910 HB2 TRP 113 2HB TRP 113 7.621 -12.019 12.332 911 HB3 TRP 113 1HB TRP 113 8.838 -10.773 12.057 912 HD1 TRP 113 HD1 TRP 113 5.204 -11.197 13.176 913 HE1 TRP 113 HE1 TRP 113 4.356 -8.933 14.052 914 HE3 TRP 113 HE3 TRP 113 9.106 -8.220 11.708 915 HZ2 TRP 113 HZ2 TRP 113 5.213 -6.261 14.098 916 HZ3 TRP 113 HZ3 TRP 113 9.000 -5.809 12.184 917 HH2 TRP 113 HH2 TRP 113 7.084 -4.854 13.359 918 H GLY 114 H GLY 114 9.187 -10.500 8.468 919 HA2 GLY 114 2HA GLY 114 10.575 -12.938 7.938 920 HA3 GLY 114 1HA GLY 114 11.101 -11.316 7.498 921 H ARG 115 H ARG 115 11.563 -9.973 9.671 922 HA ARG 115 HA ARG 115 12.747 -11.431 11.851 923 HB2 ARG 115 2HB ARG 115 15.041 -10.379 11.593 924 HB3 ARG 115 1HB ARG 115 14.669 -11.615 10.399 925 HG2 ARG 115 2HG ARG 115 14.356 -9.984 8.659 926 HG3 ARG 115 1HG ARG 115 14.368 -8.646 9.812 927 HD2 ARG 115 2HD ARG 115 16.726 -10.439 9.126 928 HD3 ARG 115 1HD ARG 115 16.501 -8.764 8.602 929 HE ARG 115 HE ARG 115 16.544 -8.158 11.024 930 HH11 ARG 115 1HH1 ARG 115 18.202 -11.090 9.981 931 HH12 ARG 115 2HH1 ARG 115 19.293 -11.080 11.330 932 HH21 ARG 115 1HH2 ARG 115 17.922 -8.211 12.797 933 HH22 ARG 115 2HH2 ARG 115 19.132 -9.458 12.923 934 H LEU 116 H LEU 116 12.007 -10.302 13.557 935 HA LEU 116 HA LEU 116 11.774 -7.378 13.478 936 HB2 LEU 116 2HB LEU 116 9.913 -8.618 14.476 937 HB3 LEU 116 1HB LEU 116 10.998 -9.392 15.619 938 HG LEU 116 HG LEU 116 11.430 -7.171 16.707 939 HD11 LEU 116 1HD1 LEU 116 10.078 -5.213 16.171 940 HD12 LEU 116 2HD1 LEU 116 9.328 -6.074 14.826 941 HD13 LEU 116 3HD1 LEU 116 11.053 -5.703 14.786 942 HD21 LEU 116 1HD2 LEU 116 9.249 -6.918 17.813 943 HD22 LEU 116 2HD2 LEU 116 9.688 -8.616 17.637 944 HD23 LEU 116 3HD2 LEU 116 8.487 -7.901 16.557 945 H PHE 117 H PHE 117 14.097 -7.183 13.175 946 HA PHE 117 HA PHE 117 15.332 -6.241 15.526 947 HB2 PHE 117 2HB PHE 117 15.914 -8.659 15.848 948 HB3 PHE 117 1HB PHE 117 16.736 -8.660 14.291 949 HD1 PHE 117 HD1 PHE 117 16.763 -6.973 17.637 950 HD2 PHE 117 HD2 PHE 117 19.066 -8.067 14.201 951 HE1 PHE 117 HE1 PHE 117 18.814 -6.194 18.753 952 HE2 PHE 117 HE2 PHE 117 21.108 -7.293 15.325 953 HZ PHE 117 HZ PHE 117 20.986 -6.356 17.601 Start of MODEL 10 1 H1 MET 1 1H MET 1 -38.482 18.973 16.852 2 H2 MET 1 2H MET 1 -38.756 19.479 15.261 3 H3 MET 1 3H MET 1 -37.477 18.436 15.606 4 HA MET 1 HA MET 1 -38.941 16.693 16.215 5 HB2 MET 1 2HB MET 1 -40.717 18.289 17.103 6 HB3 MET 1 1HB MET 1 -41.210 18.586 15.445 7 HG2 MET 1 2HG MET 1 -41.310 15.881 16.804 8 HG3 MET 1 1HG MET 1 -42.675 16.989 16.647 9 HE1 MET 1 1HE MET 1 -42.625 13.871 15.693 10 HE2 MET 1 2HE MET 1 -43.549 14.035 14.198 11 HE3 MET 1 3HE MET 1 -44.039 14.915 15.648 12 H SER 2 H SER 2 -38.530 15.322 14.585 13 HA SER 2 HA SER 2 -38.878 16.226 11.787 14 HB2 SER 2 2HB SER 2 -37.232 13.928 12.923 15 HB3 SER 2 1HB SER 2 -37.404 14.289 11.201 16 HG SER 2 HG SER 2 -36.235 15.897 13.220 17 H GLY 3 H GLY 3 -41.210 15.962 11.968 18 HA2 GLY 3 2HA GLY 3 -42.096 13.140 11.592 19 HA3 GLY 3 1HA GLY 3 -43.141 14.503 11.991 20 H SER 4 H SER 4 -43.215 16.272 10.431 21 HA SER 4 HA SER 4 -43.565 15.419 7.714 22 HB2 SER 4 2HB SER 4 -43.567 18.246 8.855 23 HB3 SER 4 1HB SER 4 -44.253 17.738 7.319 24 HG SER 4 HG SER 4 -45.665 16.340 8.610 25 H HIS 5 H HIS 5 -41.128 17.117 9.575 26 HA HIS 5 HA HIS 5 -39.425 18.056 7.548 27 HB2 HIS 5 2HB HIS 5 -39.201 18.791 9.880 28 HB3 HIS 5 1HB HIS 5 -38.782 17.163 10.400 29 HD1 HIS 5 HD1 HIS 5 -36.332 16.576 10.384 30 HD2 HIS 5 HD2 HIS 5 -37.149 20.049 8.242 31 HE1 HIS 5 HE1 HIS 5 -34.098 17.527 9.757 32 HE2 HIS 5 HE2 HIS 5 -34.619 19.556 8.380 33 H HIS 6 H HIS 6 -39.886 14.853 8.922 34 HA HIS 6 HA HIS 6 -37.531 13.684 7.688 35 HB2 HIS 6 2HB HIS 6 -38.415 12.734 9.814 36 HB3 HIS 6 1HB HIS 6 -39.926 12.323 9.002 37 HD1 HIS 6 HD1 HIS 6 -40.027 9.978 8.116 38 HD2 HIS 6 HD2 HIS 6 -36.111 11.281 8.562 39 HE1 HIS 6 HE1 HIS 6 -38.589 7.990 7.592 40 HE2 HIS 6 HE2 HIS 6 -36.246 8.775 7.999 41 H HIS 7 H HIS 7 -38.122 14.614 5.585 42 HA HIS 7 HA HIS 7 -39.822 12.807 3.971 43 HB2 HIS 7 2HB HIS 7 -41.042 14.926 4.219 44 HB3 HIS 7 1HB HIS 7 -39.619 15.853 3.756 45 HD1 HIS 7 HD1 HIS 7 -42.018 13.312 2.229 46 HD2 HIS 7 HD2 HIS 7 -39.471 16.388 1.058 47 HE1 HIS 7 HE1 HIS 7 -42.352 13.566 -0.248 48 HE2 HIS 7 HE2 HIS 7 -40.885 15.492 -0.912 49 H HIS 8 H HIS 8 -38.836 12.030 2.192 50 HA HIS 8 HA HIS 8 -36.092 12.692 1.588 51 HB2 HIS 8 2HB HIS 8 -38.113 10.919 0.134 52 HB3 HIS 8 1HB HIS 8 -36.429 11.097 -0.351 53 HD1 HIS 8 HD1 HIS 8 -38.201 8.587 1.027 54 HD2 HIS 8 HD2 HIS 8 -34.934 10.695 2.497 55 HE1 HIS 8 HE1 HIS 8 -37.114 7.060 2.705 56 HE2 HIS 8 HE2 HIS 8 -35.072 8.307 3.469 57 H HIS 9 H HIS 9 -36.061 14.841 1.081 58 HA HIS 9 HA HIS 9 -37.695 16.099 -0.925 59 HB2 HIS 9 2HB HIS 9 -35.016 16.953 0.288 60 HB3 HIS 9 1HB HIS 9 -36.017 17.955 -0.757 61 HD1 HIS 9 HD1 HIS 9 -38.161 18.990 0.264 62 HD2 HIS 9 HD2 HIS 9 -35.949 16.701 2.937 63 HE1 HIS 9 HE1 HIS 9 -39.120 19.483 2.531 64 HE2 HIS 9 HE2 HIS 9 -37.768 18.102 4.125 65 H HIS 10 H HIS 10 -34.525 14.541 -0.857 66 HA HIS 10 HA HIS 10 -33.134 13.700 -2.406 67 HB2 HIS 10 2HB HIS 10 -35.293 14.376 -4.449 68 HB3 HIS 10 1HB HIS 10 -33.782 13.569 -4.862 69 HD1 HIS 10 HD1 HIS 10 -33.742 11.079 -4.628 70 HD2 HIS 10 HD2 HIS 10 -36.982 12.777 -2.664 71 HE1 HIS 10 HE1 HIS 10 -35.127 9.148 -3.835 72 HE2 HIS 10 HE2 HIS 10 -37.186 10.205 -2.871 73 H SER 11 H SER 11 -34.237 16.947 -2.684 74 HA SER 11 HA SER 11 -32.115 17.992 -4.252 75 HB2 SER 11 2HB SER 11 -33.866 19.314 -2.138 76 HB3 SER 11 1HB SER 11 -32.867 20.172 -3.313 77 HG SER 11 HG SER 11 -34.147 19.296 -4.965 78 H SER 12 H SER 12 -30.224 19.135 -3.434 79 HA SER 12 HA SER 12 -28.671 17.481 -1.867 80 HB2 SER 12 2HB SER 12 -26.933 19.285 -2.031 81 HB3 SER 12 1HB SER 12 -27.716 18.933 -3.573 82 HG SER 12 HG SER 12 -28.338 21.090 -1.824 83 H GLY 13 H GLY 13 -29.196 17.040 0.183 84 HA2 GLY 13 2HA GLY 13 -28.435 18.695 2.301 85 HA3 GLY 13 1HA GLY 13 -30.188 18.774 2.166 86 H ILE 14 H ILE 14 -28.419 15.876 1.287 87 HA ILE 14 HA ILE 14 -29.790 14.408 3.468 88 HB ILE 14 HB ILE 14 -28.620 13.286 0.862 89 HG12 ILE 14 2HG1 ILE 14 -31.111 12.664 0.429 90 HG13 ILE 14 1HG1 ILE 14 -31.521 13.759 1.743 91 HG21 ILE 14 1HG2 ILE 14 -30.049 11.756 3.089 92 HG22 ILE 14 2HG2 ILE 14 -28.325 11.700 2.735 93 HG23 ILE 14 3HG2 ILE 14 -29.471 11.081 1.559 94 HD11 ILE 14 1HD1 ILE 14 -30.128 14.498 -0.822 95 HD12 ILE 14 2HD1 ILE 14 -30.594 15.613 0.465 96 HD13 ILE 14 3HD1 ILE 14 -31.831 14.745 -0.442 97 H GLU 15 H GLU 15 -28.453 14.510 5.164 98 HA GLU 15 HA GLU 15 -26.283 12.839 5.503 99 HB2 GLU 15 2HB GLU 15 -24.330 14.337 5.728 100 HB3 GLU 15 1HB GLU 15 -24.942 14.374 4.081 101 HG2 GLU 15 2HG GLU 15 -26.047 16.575 4.581 102 HG3 GLU 15 1HG GLU 15 -25.360 16.520 6.203 103 H GLY 16 H GLY 16 -26.296 12.406 7.627 104 HA2 GLY 16 2HA GLY 16 -27.095 14.449 9.613 105 HA3 GLY 16 1HA GLY 16 -26.934 12.712 9.886 106 H ARG 17 H ARG 17 -24.623 11.887 9.291 107 HA ARG 17 HA ARG 17 -22.538 13.686 10.429 108 HB2 ARG 17 2HB ARG 17 -22.637 10.636 10.698 109 HB3 ARG 17 1HB ARG 17 -21.480 11.719 11.453 110 HG2 ARG 17 2HG ARG 17 -24.434 11.609 12.086 111 HG3 ARG 17 1HG ARG 17 -23.164 10.843 13.032 112 HD2 ARG 17 2HD ARG 17 -22.194 13.112 13.473 113 HD3 ARG 17 1HD ARG 17 -23.570 13.822 12.619 114 HE ARG 17 HE ARG 17 -24.634 12.164 14.554 115 HH11 ARG 17 1HH1 ARG 17 -22.652 15.088 14.579 116 HH12 ARG 17 2HH1 ARG 17 -23.241 15.607 16.125 117 HH21 ARG 17 1HH2 ARG 17 -25.372 12.848 16.582 118 HH22 ARG 17 2HH2 ARG 17 -24.789 14.336 17.261 119 H GLY 18 H GLY 18 -23.464 12.918 7.574 120 HA2 GLY 18 2HA GLY 18 -21.838 10.941 6.401 121 HA3 GLY 18 1HA GLY 18 -22.695 12.210 5.545 122 H ARG 19 H ARG 19 -21.308 14.425 6.691 123 HA ARG 19 HA ARG 19 -19.059 14.549 4.958 124 HB2 ARG 19 2HB ARG 19 -18.648 16.778 5.821 125 HB3 ARG 19 1HB ARG 19 -20.359 16.545 5.505 126 HG2 ARG 19 2HG ARG 19 -20.777 16.263 7.930 127 HG3 ARG 19 1HG ARG 19 -19.055 16.478 8.246 128 HD2 ARG 19 2HD ARG 19 -19.157 18.768 7.334 129 HD3 ARG 19 1HD ARG 19 -20.877 18.566 6.989 130 HE ARG 19 HE ARG 19 -20.490 18.064 9.715 131 HH11 ARG 19 1HH1 ARG 19 -20.188 20.796 7.513 132 HH12 ARG 19 2HH1 ARG 19 -20.543 21.982 8.728 133 HH21 ARG 19 1HH2 ARG 19 -20.985 19.608 11.303 134 HH22 ARG 19 2HH2 ARG 19 -21.000 21.295 10.903 135 H MET 20 H MET 20 -19.383 13.624 8.276 136 HA MET 20 HA MET 20 -16.510 13.613 8.811 137 HB2 MET 20 2HB MET 20 -18.183 14.186 10.591 138 HB3 MET 20 1HB MET 20 -18.843 12.560 10.491 139 HG2 MET 20 2HG MET 20 -16.665 11.656 11.243 140 HG3 MET 20 1HG MET 20 -16.030 13.297 11.351 141 HE1 MET 20 1HE MET 20 -15.294 13.084 13.867 142 HE2 MET 20 2HE MET 20 -15.764 11.384 13.833 143 HE3 MET 20 3HE MET 20 -16.326 12.434 15.136 144 H LYS 21 H LYS 21 -19.131 11.425 8.018 145 HA LYS 21 HA LYS 21 -17.579 8.991 8.415 146 HB2 LYS 21 2HB LYS 21 -20.410 9.447 7.359 147 HB3 LYS 21 1HB LYS 21 -19.681 7.866 7.595 148 HG2 LYS 21 2HG LYS 21 -20.232 9.892 9.776 149 HG3 LYS 21 1HG LYS 21 -21.194 8.456 9.431 150 HD2 LYS 21 2HD LYS 21 -19.156 7.059 9.927 151 HD3 LYS 21 1HD LYS 21 -18.325 8.536 10.412 152 HE2 LYS 21 2HE LYS 21 -20.045 8.894 12.167 153 HE3 LYS 21 1HE LYS 21 -20.799 7.364 11.705 154 HZ1 LYS 21 1HZ LYS 21 -19.302 7.156 13.628 155 HZ2 LYS 21 2HZ LYS 21 -17.999 7.646 12.670 156 HZ3 LYS 21 3HZ LYS 21 -18.798 6.199 12.332 157 H LYS 22 H LYS 22 -15.914 9.336 6.961 158 HA LYS 22 HA LYS 22 -16.302 8.453 4.240 159 HB2 LYS 22 2HB LYS 22 -15.312 10.453 3.168 160 HB3 LYS 22 1HB LYS 22 -16.813 10.864 3.987 161 HG2 LYS 22 2HG LYS 22 -15.540 11.798 5.891 162 HG3 LYS 22 1HG LYS 22 -14.027 11.392 5.073 163 HD2 LYS 22 2HD LYS 22 -14.755 12.899 3.170 164 HD3 LYS 22 1HD LYS 22 -16.122 13.396 4.164 165 HE2 LYS 22 2HE LYS 22 -14.557 14.250 5.877 166 HE3 LYS 22 1HE LYS 22 -13.195 13.755 4.865 167 HZ1 LYS 22 1HZ LYS 22 -13.964 15.285 3.154 168 HZ2 LYS 22 2HZ LYS 22 -13.665 16.098 4.602 169 HZ3 LYS 22 3HZ LYS 22 -15.254 15.772 4.132 170 H LYS 23 H LYS 23 -13.784 8.966 3.190 171 HA LYS 23 HA LYS 23 -11.966 7.484 4.736 172 HB2 LYS 23 2HB LYS 23 -10.179 8.308 3.185 173 HB3 LYS 23 1HB LYS 23 -11.569 7.599 2.378 174 HG2 LYS 23 2HG LYS 23 -12.386 9.876 1.818 175 HG3 LYS 23 1HG LYS 23 -10.945 10.551 2.588 176 HD2 LYS 23 2HD LYS 23 -9.517 9.267 0.970 177 HD3 LYS 23 1HD LYS 23 -10.986 8.701 0.170 178 HE2 LYS 23 2HE LYS 23 -10.218 11.622 0.439 179 HE3 LYS 23 1HE LYS 23 -9.874 10.625 -0.972 180 HZ1 LYS 23 1HZ LYS 23 -12.157 10.378 -1.403 181 HZ2 LYS 23 2HZ LYS 23 -11.901 12.021 -1.136 182 HZ3 LYS 23 3HZ LYS 23 -12.607 11.066 0.062 183 H GLN 24 H GLN 24 -10.907 7.988 6.479 184 HA GLN 24 HA GLN 24 -11.436 10.386 7.898 185 HB2 GLN 24 2HB GLN 24 -9.400 8.186 8.475 186 HB3 GLN 24 1HB GLN 24 -9.989 9.353 9.653 187 HG2 GLN 24 2HG GLN 24 -11.738 7.290 8.267 188 HG3 GLN 24 1HG GLN 24 -10.991 7.080 9.849 189 HE21 GLN 24 1HE2 GLN 24 -12.963 6.836 10.895 190 HE22 GLN 24 2HE2 GLN 24 -14.076 8.132 11.139 191 H ILE 25 H ILE 25 -10.232 12.210 8.161 192 HA ILE 25 HA ILE 25 -8.702 12.987 5.934 193 HB ILE 25 HB ILE 25 -9.077 14.399 8.624 194 HG12 ILE 25 2HG1 ILE 25 -11.209 14.324 7.389 195 HG13 ILE 25 1HG1 ILE 25 -10.607 15.959 7.395 196 HG21 ILE 25 1HG2 ILE 25 -7.001 15.247 7.688 197 HG22 ILE 25 2HG2 ILE 25 -8.247 16.485 7.581 198 HG23 ILE 25 3HG2 ILE 25 -7.785 15.580 6.140 199 HD11 ILE 25 1HD1 ILE 25 -10.770 14.022 5.114 200 HD12 ILE 25 2HD1 ILE 25 -9.733 15.456 5.041 201 HD13 ILE 25 3HD1 ILE 25 -11.467 15.629 5.278 202 H GLU 26 H GLU 26 -7.631 12.417 9.298 203 HA GLU 26 HA GLU 26 -4.937 13.147 8.872 204 HB2 GLU 26 2HB GLU 26 -5.995 13.109 11.112 205 HB3 GLU 26 1HB GLU 26 -6.097 11.348 11.040 206 HG2 GLU 26 2HG GLU 26 -3.633 11.216 10.950 207 HG3 GLU 26 1HG GLU 26 -3.535 12.975 11.030 208 H PHE 27 H PHE 27 -6.485 9.899 9.026 209 HA PHE 27 HA PHE 27 -4.066 8.458 8.564 210 HB2 PHE 27 2HB PHE 27 -6.185 7.518 9.668 211 HB3 PHE 27 1HB PHE 27 -6.880 7.369 8.056 212 HD1 PHE 27 HD1 PHE 27 -4.139 6.196 10.283 213 HD2 PHE 27 HD2 PHE 27 -6.218 5.496 6.607 214 HE1 PHE 27 HE1 PHE 27 -2.968 4.058 10.013 215 HE2 PHE 27 HE2 PHE 27 -5.022 3.345 6.371 216 HZ PHE 27 HZ PHE 27 -3.405 2.638 8.059 217 H GLU 28 H GLU 28 -6.551 9.772 6.431 218 HA GLU 28 HA GLU 28 -5.794 8.446 4.046 219 HB2 GLU 28 2HB GLU 28 -7.974 9.591 4.219 220 HB3 GLU 28 1HB GLU 28 -7.180 11.151 4.320 221 HG2 GLU 28 2HG GLU 28 -6.088 10.228 1.986 222 HG3 GLU 28 1HG GLU 28 -7.641 9.395 1.945 223 H ASN 29 H ASN 29 -4.886 11.592 5.499 224 HA ASN 29 HA ASN 29 -3.252 12.515 3.359 225 HB2 ASN 29 2HB ASN 29 -3.382 13.317 6.309 226 HB3 ASN 29 1HB ASN 29 -2.254 14.063 5.183 227 HD21 ASN 29 1HD2 ASN 29 -3.189 16.090 5.482 228 HD22 ASN 29 2HD2 ASN 29 -4.730 16.515 4.831 229 H GLU 30 H GLU 30 -2.684 10.650 6.270 230 HA GLU 30 HA GLU 30 0.177 10.745 6.193 231 HB2 GLU 30 2HB GLU 30 -1.263 10.437 8.271 232 HB3 GLU 30 1HB GLU 30 -1.611 8.799 7.720 233 HG2 GLU 30 2HG GLU 30 0.115 8.792 9.424 234 HG3 GLU 30 1HG GLU 30 0.768 8.229 7.891 235 H LEU 31 H LEU 31 -2.315 8.464 5.161 236 HA LEU 31 HA LEU 31 -0.523 6.342 4.370 237 HB2 LEU 31 2HB LEU 31 -2.873 5.690 4.766 238 HB3 LEU 31 1HB LEU 31 -3.430 6.819 3.557 239 HG LEU 31 HG LEU 31 -2.082 5.289 1.842 240 HD11 LEU 31 1HD1 LEU 31 -2.455 3.262 4.060 241 HD12 LEU 31 2HD1 LEU 31 -0.963 3.691 3.218 242 HD13 LEU 31 3HD1 LEU 31 -2.237 2.850 2.368 243 HD21 LEU 31 1HD2 LEU 31 -4.468 5.585 1.590 244 HD22 LEU 31 2HD2 LEU 31 -4.807 4.470 2.918 245 HD23 LEU 31 3HD2 LEU 31 -4.096 3.873 1.425 246 H ARG 32 H ARG 32 -2.319 8.795 2.574 247 HA ARG 32 HA ARG 32 -1.486 8.154 -0.029 248 HB2 ARG 32 2HB ARG 32 -3.467 9.583 0.824 249 HB3 ARG 32 1HB ARG 32 -2.327 10.911 0.942 250 HG2 ARG 32 2HG ARG 32 -1.954 10.811 -1.488 251 HG3 ARG 32 1HG ARG 32 -3.074 9.447 -1.604 252 HD2 ARG 32 2HD ARG 32 -4.895 10.881 -0.709 253 HD3 ARG 32 1HD ARG 32 -3.773 12.245 -0.632 254 HE ARG 32 HE ARG 32 -3.652 11.495 -3.236 255 HH11 ARG 32 1HH1 ARG 32 -6.339 12.294 -1.099 256 HH12 ARG 32 2HH1 ARG 32 -7.338 12.913 -2.378 257 HH21 ARG 32 1HH2 ARG 32 -4.966 12.332 -4.910 258 HH22 ARG 32 2HH2 ARG 32 -6.556 12.936 -4.546 259 H SER 33 H SER 33 -0.014 10.120 2.525 260 HA SER 33 HA SER 33 1.993 11.377 0.881 261 HB2 SER 33 2HB SER 33 1.128 12.248 3.125 262 HB3 SER 33 1HB SER 33 2.081 10.982 3.902 263 HG SER 33 HG SER 33 2.881 13.383 2.948 264 H MET 34 H MET 34 1.893 8.552 3.052 265 HA MET 34 HA MET 34 4.687 7.879 2.755 266 HB2 MET 34 2HB MET 34 2.362 6.230 3.862 267 HB3 MET 34 1HB MET 34 4.028 5.690 3.864 268 HG2 MET 34 2HG MET 34 4.644 7.529 5.399 269 HG3 MET 34 1HG MET 34 2.980 8.101 5.377 270 HE1 MET 34 1HE MET 34 4.190 3.995 7.052 271 HE2 MET 34 2HE MET 34 5.326 5.114 6.304 272 HE3 MET 34 3HE MET 34 4.070 4.349 5.328 273 H LEU 35 H LEU 35 1.797 7.205 0.993 274 HA LEU 35 HA LEU 35 2.832 4.902 -0.448 275 HB2 LEU 35 2HB LEU 35 0.309 5.402 0.118 276 HB3 LEU 35 1HB LEU 35 0.341 6.476 -1.264 277 HG LEU 35 HG LEU 35 0.915 3.470 -1.466 278 HD11 LEU 35 1HD1 LEU 35 -1.338 3.758 -0.614 279 HD12 LEU 35 2HD1 LEU 35 -1.378 3.188 -2.273 280 HD13 LEU 35 3HD1 LEU 35 -1.732 4.881 -1.915 281 HD21 LEU 35 1HD2 LEU 35 0.207 5.490 -3.616 282 HD22 LEU 35 2HD2 LEU 35 0.435 3.755 -3.849 283 HD23 LEU 35 3HD2 LEU 35 1.792 4.759 -3.357 284 H ALA 36 H ALA 36 2.231 8.373 -1.078 285 HA ALA 36 HA ALA 36 3.295 8.654 -3.622 286 HB1 ALA 36 1HB ALA 36 3.871 10.964 -2.967 287 HB2 ALA 36 2HB ALA 36 3.641 10.534 -1.270 288 HB3 ALA 36 3HB ALA 36 2.273 10.507 -2.378 289 H THR 37 H THR 37 5.014 8.727 -0.503 290 HA THR 37 HA THR 37 7.638 9.077 -1.455 291 HB THR 37 HB THR 37 6.728 7.728 1.127 292 HG1 THR 37 HG1 THR 37 6.169 9.669 1.768 293 HG21 THR 37 1HG2 THR 37 8.871 8.547 2.070 294 HG22 THR 37 2HG2 THR 37 9.336 9.186 0.491 295 HG23 THR 37 3HG2 THR 37 9.167 7.444 0.730 296 H ALA 38 H ALA 38 5.759 6.143 -0.759 297 HA ALA 38 HA ALA 38 7.850 4.253 -1.171 298 HB1 ALA 38 1HB ALA 38 5.931 3.655 0.158 299 HB2 ALA 38 2HB ALA 38 6.025 2.568 -1.226 300 HB3 ALA 38 3HB ALA 38 4.845 3.876 -1.203 301 H LEU 39 H LEU 39 5.543 5.783 -3.375 302 HA LEU 39 HA LEU 39 6.063 4.122 -5.654 303 HB2 LEU 39 2HB LEU 39 5.087 7.012 -5.535 304 HB3 LEU 39 1HB LEU 39 5.087 6.038 -6.984 305 HG LEU 39 HG LEU 39 3.352 5.459 -4.556 306 HD11 LEU 39 1HD1 LEU 39 2.583 6.868 -7.110 307 HD12 LEU 39 2HD1 LEU 39 2.708 7.587 -5.505 308 HD13 LEU 39 3HD1 LEU 39 1.473 6.376 -5.825 309 HD21 LEU 39 1HD2 LEU 39 3.589 3.404 -5.736 310 HD22 LEU 39 2HD2 LEU 39 3.422 4.199 -7.301 311 HD23 LEU 39 3HD2 LEU 39 2.037 4.070 -6.220 312 H GLU 40 H GLU 40 7.649 6.930 -4.255 313 HA GLU 40 HA GLU 40 9.402 7.358 -6.537 314 HB2 GLU 40 2HB GLU 40 9.476 8.597 -3.751 315 HB3 GLU 40 1HB GLU 40 10.444 9.108 -5.129 316 HG2 GLU 40 2HG GLU 40 7.428 9.221 -4.950 317 HG3 GLU 40 1HG GLU 40 8.522 10.588 -4.773 318 H LYS 41 H LYS 41 9.509 5.625 -3.494 319 HA LYS 41 HA LYS 41 12.269 4.894 -3.549 320 HB2 LYS 41 2HB LYS 41 9.858 3.484 -2.310 321 HB3 LYS 41 1HB LYS 41 11.515 2.939 -2.110 322 HG2 LYS 41 2HG LYS 41 10.374 5.565 -1.142 323 HG3 LYS 41 1HG LYS 41 10.750 4.153 -0.152 324 HD2 LYS 41 2HD LYS 41 13.181 4.410 -0.860 325 HD3 LYS 41 1HD LYS 41 12.731 5.897 -1.686 326 HE2 LYS 41 2HE LYS 41 12.825 5.367 1.304 327 HE3 LYS 41 1HE LYS 41 13.678 6.586 0.370 328 HZ1 LYS 41 1HZ LYS 41 11.606 7.722 -0.021 329 HZ2 LYS 41 2HZ LYS 41 11.870 7.540 1.637 330 HZ3 LYS 41 3HZ LYS 41 10.757 6.546 0.846 331 H ASP 42 H ASP 42 13.255 3.049 -4.460 332 HA ASP 42 HA ASP 42 12.224 2.192 -6.978 333 HB2 ASP 42 2HB ASP 42 14.647 1.238 -5.390 334 HB3 ASP 42 1HB ASP 42 14.271 0.681 -7.020 335 H ILE 43 H ILE 43 10.412 0.972 -6.915 336 HA ILE 43 HA ILE 43 10.266 -1.372 -5.102 337 HB ILE 43 HB ILE 43 7.778 -1.168 -5.316 338 HG12 ILE 43 2HG1 ILE 43 8.406 1.461 -6.752 339 HG13 ILE 43 1HG1 ILE 43 7.586 0.067 -7.440 340 HG21 ILE 43 1HG2 ILE 43 8.914 -0.288 -3.351 341 HG22 ILE 43 2HG2 ILE 43 7.568 0.773 -3.773 342 HG23 ILE 43 3HG2 ILE 43 9.219 1.245 -4.173 343 HD11 ILE 43 1HD1 ILE 43 5.996 1.799 -6.936 344 HD12 ILE 43 2HD1 ILE 43 6.532 1.857 -5.256 345 HD13 ILE 43 3HD1 ILE 43 5.720 0.415 -5.876 346 H SER 44 H SER 44 9.393 -3.282 -5.861 347 HA SER 44 HA SER 44 10.244 -4.024 -8.530 348 HB2 SER 44 2HB SER 44 8.863 -5.786 -6.439 349 HB3 SER 44 1HB SER 44 9.929 -6.305 -7.744 350 HG SER 44 HG SER 44 10.560 -5.274 -5.280 351 H GLN 45 H GLN 45 8.865 -5.061 -10.186 352 HA GLN 45 HA GLN 45 6.786 -3.653 -11.042 353 HB2 GLN 45 2HB GLN 45 7.949 -5.248 -12.438 354 HB3 GLN 45 1HB GLN 45 7.232 -6.605 -11.580 355 HG2 GLN 45 2HG GLN 45 4.975 -5.818 -12.380 356 HG3 GLN 45 1HG GLN 45 5.801 -4.604 -13.358 357 HE21 GLN 45 1HE2 GLN 45 5.183 -8.017 -12.931 358 HE22 GLN 45 2HE2 GLN 45 5.688 -8.501 -14.514 359 H GLU 46 H GLU 46 6.274 -6.513 -8.883 360 HA GLU 46 HA GLU 46 3.386 -6.456 -9.262 361 HB2 GLU 46 2HB GLU 46 5.060 -8.092 -7.318 362 HB3 GLU 46 1HB GLU 46 3.324 -8.254 -7.531 363 HG2 GLU 46 2HG GLU 46 4.348 -10.052 -8.698 364 HG3 GLU 46 1HG GLU 46 3.741 -8.928 -9.910 365 H GLU 47 H GLU 47 5.675 -5.083 -7.049 366 HA GLU 47 HA GLU 47 3.800 -4.458 -4.930 367 HB2 GLU 47 2HB GLU 47 6.147 -4.778 -4.350 368 HB3 GLU 47 1HB GLU 47 6.673 -3.569 -5.506 369 HG2 GLU 47 2HG GLU 47 5.723 -1.790 -4.131 370 HG3 GLU 47 1HG GLU 47 5.051 -2.970 -3.004 371 H ARG 48 H ARG 48 5.392 -2.780 -7.610 372 HA ARG 48 HA ARG 48 4.260 -0.225 -7.408 373 HB2 ARG 48 2HB ARG 48 6.151 -0.941 -8.937 374 HB3 ARG 48 1HB ARG 48 4.948 -1.713 -9.960 375 HG2 ARG 48 2HG ARG 48 3.877 0.568 -10.257 376 HG3 ARG 48 1HG ARG 48 5.272 1.251 -9.417 377 HD2 ARG 48 2HD ARG 48 6.755 0.227 -11.156 378 HD3 ARG 48 1HD ARG 48 5.310 -0.317 -12.011 379 HE ARG 48 HE ARG 48 5.058 2.430 -11.673 380 HH11 ARG 48 1HH1 ARG 48 7.216 0.211 -13.359 381 HH12 ARG 48 2HH1 ARG 48 7.622 1.351 -14.605 382 HH21 ARG 48 1HH2 ARG 48 5.661 3.959 -13.282 383 HH22 ARG 48 2HH2 ARG 48 6.736 3.475 -14.555 384 H ASN 49 H ASN 49 3.161 -3.205 -8.916 385 HA ASN 49 HA ASN 49 0.817 -2.309 -10.174 386 HB2 ASN 49 2HB ASN 49 2.030 -4.530 -10.514 387 HB3 ASN 49 1HB ASN 49 1.271 -5.097 -9.033 388 HD21 ASN 49 1HD2 ASN 49 1.019 -6.084 -11.803 389 HD22 ASN 49 2HD2 ASN 49 -0.673 -6.045 -12.153 390 H ALA 50 H ALA 50 1.379 -3.749 -6.943 391 HA ALA 50 HA ALA 50 -1.272 -3.821 -6.020 392 HB1 ALA 50 1HB ALA 50 -0.308 -4.104 -3.792 393 HB2 ALA 50 2HB ALA 50 1.263 -3.551 -4.378 394 HB3 ALA 50 3HB ALA 50 0.577 -5.064 -4.979 395 H LEU 51 H LEU 51 1.202 -1.242 -5.557 396 HA LEU 51 HA LEU 51 -0.578 0.412 -3.989 397 HB2 LEU 51 2HB LEU 51 2.066 1.220 -5.273 398 HB3 LEU 51 1HB LEU 51 1.221 2.098 -4.020 399 HG LEU 51 HG LEU 51 2.670 -0.565 -3.696 400 HD11 LEU 51 1HD1 LEU 51 3.308 2.151 -2.487 401 HD12 LEU 51 2HD1 LEU 51 4.161 1.404 -3.831 402 HD13 LEU 51 3HD1 LEU 51 4.215 0.656 -2.243 403 HD21 LEU 51 1HD2 LEU 51 0.825 -0.744 -2.184 404 HD22 LEU 51 2HD2 LEU 51 1.012 0.925 -1.636 405 HD23 LEU 51 3HD2 LEU 51 2.222 -0.283 -1.221 406 H ASN 52 H ASN 52 0.160 0.162 -7.409 407 HA ASN 52 HA ASN 52 -1.182 2.558 -8.212 408 HB2 ASN 52 2HB ASN 52 -0.344 0.082 -9.702 409 HB3 ASN 52 1HB ASN 52 -1.420 1.228 -10.479 410 HD21 ASN 52 1HD2 ASN 52 0.075 1.775 -12.052 411 HD22 ASN 52 2HD2 ASN 52 1.495 2.706 -11.729 412 H ILE 53 H ILE 53 -2.216 -0.780 -7.706 413 HA ILE 53 HA ILE 53 -4.913 -0.581 -8.545 414 HB ILE 53 HB ILE 53 -3.549 -2.414 -6.517 415 HG12 ILE 53 2HG1 ILE 53 -4.644 -2.984 -9.318 416 HG13 ILE 53 1HG1 ILE 53 -2.949 -2.796 -8.901 417 HG21 ILE 53 1HG2 ILE 53 -5.612 -3.815 -6.484 418 HG22 ILE 53 2HG2 ILE 53 -6.456 -2.558 -7.391 419 HG23 ILE 53 3HG2 ILE 53 -5.858 -2.220 -5.769 420 HD11 ILE 53 1HD1 ILE 53 -4.760 -5.013 -7.941 421 HD12 ILE 53 2HD1 ILE 53 -3.062 -4.806 -7.504 422 HD13 ILE 53 3HD1 ILE 53 -3.507 -5.127 -9.178 423 H ALA 54 H ALA 54 -3.235 0.013 -5.489 424 HA ALA 54 HA ALA 54 -5.376 0.600 -3.804 425 HB1 ALA 54 1HB ALA 54 -3.768 1.757 -2.384 426 HB2 ALA 54 2HB ALA 54 -2.596 1.817 -3.703 427 HB3 ALA 54 3HB ALA 54 -3.073 0.266 -3.013 428 H GLU 55 H GLU 55 -3.347 2.948 -5.688 429 HA GLU 55 HA GLU 55 -4.776 5.233 -4.774 430 HB2 GLU 55 2HB GLU 55 -2.432 5.330 -5.554 431 HB3 GLU 55 1HB GLU 55 -2.952 4.962 -7.193 432 HG2 GLU 55 2HG GLU 55 -4.204 7.078 -7.297 433 HG3 GLU 55 1HG GLU 55 -3.723 7.460 -5.647 434 H LYS 56 H LYS 56 -5.017 3.339 -7.765 435 HA LYS 56 HA LYS 56 -6.777 5.054 -9.167 436 HB2 LYS 56 2HB LYS 56 -5.342 3.018 -10.028 437 HB3 LYS 56 1HB LYS 56 -6.725 2.048 -9.594 438 HG2 LYS 56 2HG LYS 56 -6.836 4.336 -11.569 439 HG3 LYS 56 1HG LYS 56 -6.544 2.662 -12.024 440 HD2 LYS 56 2HD LYS 56 -8.772 2.051 -11.072 441 HD3 LYS 56 1HD LYS 56 -9.063 3.756 -10.718 442 HE2 LYS 56 2HE LYS 56 -8.663 2.539 -13.476 443 HE3 LYS 56 1HE LYS 56 -10.195 3.085 -12.793 444 HZ1 LYS 56 1HZ LYS 56 -9.257 4.711 -14.304 445 HZ2 LYS 56 2HZ LYS 56 -7.853 4.812 -13.374 446 HZ3 LYS 56 3HZ LYS 56 -9.325 5.335 -12.736 447 H ALA 57 H ALA 57 -7.276 2.422 -6.835 448 HA ALA 57 HA ALA 57 -10.144 2.421 -7.065 449 HB1 ALA 57 1HB ALA 57 -10.120 0.845 -5.205 450 HB2 ALA 57 2HB ALA 57 -8.397 1.140 -4.948 451 HB3 ALA 57 3HB ALA 57 -8.952 0.373 -6.435 452 H LEU 58 H LEU 58 -7.772 4.082 -4.984 453 HA LEU 58 HA LEU 58 -9.561 5.093 -3.013 454 HB2 LEU 58 2HB LEU 58 -7.160 6.601 -4.158 455 HB3 LEU 58 1HB LEU 58 -7.938 6.947 -2.633 456 HG LEU 58 HG LEU 58 -6.108 4.553 -3.261 457 HD11 LEU 58 1HD1 LEU 58 -5.475 6.847 -1.357 458 HD12 LEU 58 2HD1 LEU 58 -4.752 6.590 -2.951 459 HD13 LEU 58 3HD1 LEU 58 -4.473 5.430 -1.665 460 HD21 LEU 58 1HD2 LEU 58 -7.611 3.620 -1.649 461 HD22 LEU 58 2HD2 LEU 58 -7.510 5.047 -0.610 462 HD23 LEU 58 3HD2 LEU 58 -6.120 3.996 -0.810 463 H ASP 59 H ASP 59 -8.650 6.219 -6.219 464 HA ASP 59 HA ASP 59 -10.220 8.585 -6.241 465 HB2 ASP 59 2HB ASP 59 -8.351 8.068 -7.849 466 HB3 ASP 59 1HB ASP 59 -9.393 6.895 -8.642 467 H ASN 60 H ASN 60 -10.944 5.199 -7.220 468 HA ASN 60 HA ASN 60 -13.622 5.742 -8.077 469 HB2 ASN 60 2HB ASN 60 -12.288 3.071 -7.410 470 HB3 ASN 60 1HB ASN 60 -13.958 3.216 -7.945 471 HD21 ASN 60 1HD2 ASN 60 -13.611 2.041 -9.806 472 HD22 ASN 60 2HD2 ASN 60 -12.708 2.657 -11.146 473 H SER 61 H SER 61 -12.212 5.370 -4.935 474 HA SER 61 HA SER 61 -13.050 5.718 -2.858 475 HB2 SER 61 2HB SER 61 -15.487 6.794 -4.360 476 HB3 SER 61 1HB SER 61 -14.993 7.194 -2.710 477 HG SER 61 HG SER 61 -13.110 7.627 -4.725 478 H GLU 62 H GLU 62 -13.387 3.076 -3.676 479 HA GLU 62 HA GLU 62 -16.056 2.134 -3.530 480 HB2 GLU 62 2HB GLU 62 -13.425 0.614 -3.296 481 HB3 GLU 62 1HB GLU 62 -15.003 -0.169 -3.316 482 HG2 GLU 62 2HG GLU 62 -15.423 0.816 -5.551 483 HG3 GLU 62 1HG GLU 62 -13.820 1.542 -5.524 484 H TYR 63 H TYR 63 -13.470 1.596 -1.076 485 HA TYR 63 HA TYR 63 -14.896 2.329 1.182 486 HB2 TYR 63 2HB TYR 63 -15.021 -0.636 0.564 487 HB3 TYR 63 1HB TYR 63 -14.871 -0.123 2.235 488 HD1 TYR 63 HD1 TYR 63 -17.187 -1.235 -0.059 489 HD2 TYR 63 HD2 TYR 63 -16.667 1.912 2.790 490 HE1 TYR 63 HE1 TYR 63 -19.629 -1.011 0.129 491 HE2 TYR 63 HE2 TYR 63 -19.108 2.137 2.964 492 HH TYR 63 HH TYR 63 -21.281 -0.159 1.741 493 H LEU 64 H LEU 64 -13.660 1.749 3.168 494 HA LEU 64 HA LEU 64 -10.790 2.026 2.484 495 HB2 LEU 64 2HB LEU 64 -12.319 2.915 4.904 496 HB3 LEU 64 1HB LEU 64 -10.708 2.330 5.214 497 HG LEU 64 HG LEU 64 -10.888 4.809 5.054 498 HD11 LEU 64 1HD1 LEU 64 -8.730 3.692 4.689 499 HD12 LEU 64 2HD1 LEU 64 -8.854 5.227 3.845 500 HD13 LEU 64 3HD1 LEU 64 -8.997 3.719 2.948 501 HD21 LEU 64 1HD2 LEU 64 -12.519 5.198 3.307 502 HD22 LEU 64 2HD2 LEU 64 -11.464 4.474 2.089 503 HD23 LEU 64 3HD2 LEU 64 -11.002 5.961 2.878 504 HA PRO 65 HA PRO 65 -10.818 -2.111 5.103 505 HB2 PRO 65 2HB PRO 65 -13.203 -3.518 4.922 506 HB3 PRO 65 1HB PRO 65 -12.766 -2.513 6.318 507 HG2 PRO 65 2HG PRO 65 -14.493 -1.795 3.963 508 HG3 PRO 65 1HG PRO 65 -14.790 -1.519 5.696 509 HD2 PRO 65 2HD PRO 65 -13.890 0.457 4.152 510 HD3 PRO 65 1HD PRO 65 -13.273 0.261 5.806 511 H LYS 66 H LYS 66 -12.463 -1.274 2.090 512 HA LYS 66 HA LYS 66 -12.300 -3.929 0.931 513 HB2 LYS 66 2HB LYS 66 -14.153 -2.455 0.300 514 HB3 LYS 66 1HB LYS 66 -13.056 -1.211 -0.270 515 HG2 LYS 66 2HG LYS 66 -14.113 -2.386 -2.130 516 HG3 LYS 66 1HG LYS 66 -12.370 -2.660 -2.128 517 HD2 LYS 66 2HD LYS 66 -12.667 -4.883 -1.182 518 HD3 LYS 66 1HD LYS 66 -14.413 -4.633 -1.028 519 HE2 LYS 66 2HE LYS 66 -13.768 -6.009 -3.004 520 HE3 LYS 66 1HE LYS 66 -14.648 -4.548 -3.456 521 HZ1 LYS 66 1HZ LYS 66 -12.513 -3.499 -3.993 522 HZ2 LYS 66 2HZ LYS 66 -12.747 -4.903 -4.903 523 HZ3 LYS 66 3HZ LYS 66 -11.695 -4.921 -3.581 524 H ILE 67 H ILE 67 -10.573 -0.815 0.634 525 HA ILE 67 HA ILE 67 -8.729 -1.850 -1.353 526 HB ILE 67 HB ILE 67 -8.613 0.783 0.177 527 HG12 ILE 67 2HG1 ILE 67 -9.933 -0.006 -2.443 528 HG13 ILE 67 1HG1 ILE 67 -10.699 0.668 -1.021 529 HG21 ILE 67 1HG2 ILE 67 -6.424 0.179 -0.812 530 HG22 ILE 67 2HG2 ILE 67 -7.131 1.548 -1.667 531 HG23 ILE 67 3HG2 ILE 67 -7.189 -0.064 -2.385 532 HD11 ILE 67 1HD1 ILE 67 -9.694 2.783 -1.397 533 HD12 ILE 67 2HD1 ILE 67 -10.489 2.251 -2.875 534 HD13 ILE 67 3HD1 ILE 67 -8.741 2.157 -2.737 535 H ILE 68 H ILE 68 -8.678 -1.282 2.172 536 HA ILE 68 HA ILE 68 -5.852 -1.723 2.418 537 HB ILE 68 HB ILE 68 -7.983 -1.766 4.594 538 HG12 ILE 68 2HG1 ILE 68 -5.855 0.343 3.919 539 HG13 ILE 68 1HG1 ILE 68 -7.565 0.496 3.557 540 HG21 ILE 68 1HG2 ILE 68 -6.121 -1.720 6.228 541 HG22 ILE 68 2HG2 ILE 68 -4.957 -1.877 4.911 542 HG23 ILE 68 3HG2 ILE 68 -6.079 -3.192 5.256 543 HD11 ILE 68 1HD1 ILE 68 -6.967 1.796 5.500 544 HD12 ILE 68 2HD1 ILE 68 -6.365 0.356 6.316 545 HD13 ILE 68 3HD1 ILE 68 -8.084 0.505 5.939 546 H LEU 69 H LEU 69 -8.756 -3.792 2.619 547 HA LEU 69 HA LEU 69 -7.505 -6.225 3.328 548 HB2 LEU 69 2HB LEU 69 -9.962 -5.956 3.277 549 HB3 LEU 69 1HB LEU 69 -9.913 -5.756 1.530 550 HG LEU 69 HG LEU 69 -9.222 -8.108 1.192 551 HD11 LEU 69 1HD1 LEU 69 -9.270 -8.567 4.192 552 HD12 LEU 69 2HD1 LEU 69 -7.828 -8.449 3.181 553 HD13 LEU 69 3HD1 LEU 69 -8.964 -9.764 2.932 554 HD21 LEU 69 1HD2 LEU 69 -11.682 -7.792 1.318 555 HD22 LEU 69 2HD2 LEU 69 -11.643 -8.138 3.053 556 HD23 LEU 69 3HD2 LEU 69 -11.185 -9.377 1.891 557 H ASN 70 H ASN 70 -8.166 -4.802 0.105 558 HA ASN 70 HA ASN 70 -7.186 -7.018 -1.378 559 HB2 ASN 70 2HB ASN 70 -8.839 -5.443 -2.318 560 HB3 ASN 70 1HB ASN 70 -7.650 -4.142 -2.292 561 HD21 ASN 70 1HD2 ASN 70 -5.975 -4.178 -3.850 562 HD22 ASN 70 2HD2 ASN 70 -6.028 -5.190 -5.248 563 H LEU 71 H LEU 71 -5.640 -4.045 -0.238 564 HA LEU 71 HA LEU 71 -3.224 -4.324 -1.779 565 HB2 LEU 71 2HB LEU 71 -4.321 -2.204 -0.515 566 HB3 LEU 71 1HB LEU 71 -3.314 -2.739 0.813 567 HG LEU 71 HG LEU 71 -2.360 -1.777 -1.916 568 HD11 LEU 71 1HD1 LEU 71 -2.085 -0.520 0.838 569 HD12 LEU 71 2HD1 LEU 71 -3.166 0.013 -0.450 570 HD13 LEU 71 3HD1 LEU 71 -1.423 0.122 -0.670 571 HD21 LEU 71 1HD2 LEU 71 -0.812 -3.505 -1.162 572 HD22 LEU 71 2HD2 LEU 71 -0.671 -2.731 0.416 573 HD23 LEU 71 3HD2 LEU 71 -0.063 -1.919 -1.027 574 H ARG 72 H ARG 72 -4.305 -5.027 1.508 575 HA ARG 72 HA ARG 72 -1.842 -6.054 2.529 576 HB2 ARG 72 2HB ARG 72 -3.561 -5.195 4.055 577 HB3 ARG 72 1HB ARG 72 -4.712 -6.411 3.552 578 HG2 ARG 72 2HG ARG 72 -3.252 -8.165 4.567 579 HG3 ARG 72 1HG ARG 72 -2.175 -6.882 5.140 580 HD2 ARG 72 2HD ARG 72 -3.730 -7.575 6.920 581 HD3 ARG 72 1HD ARG 72 -4.035 -5.905 6.445 582 HE ARG 72 HE ARG 72 -5.703 -8.210 5.612 583 HH11 ARG 72 1HH1 ARG 72 -5.465 -4.817 6.534 584 HH12 ARG 72 2HH1 ARG 72 -7.174 -4.543 6.423 585 HH21 ARG 72 1HH2 ARG 72 -7.938 -7.843 5.502 586 HH22 ARG 72 2HH2 ARG 72 -8.577 -6.263 5.834 587 H LYS 73 H LYS 73 -4.414 -7.484 0.571 588 HA LYS 73 HA LYS 73 -3.588 -10.231 1.141 589 HB2 LYS 73 2HB LYS 73 -6.031 -9.554 0.750 590 HB3 LYS 73 1HB LYS 73 -5.629 -9.275 -0.942 591 HG2 LYS 73 2HG LYS 73 -4.911 -11.698 -1.093 592 HG3 LYS 73 1HG LYS 73 -5.506 -11.923 0.557 593 HD2 LYS 73 2HD LYS 73 -7.784 -11.165 -0.222 594 HD3 LYS 73 1HD LYS 73 -7.153 -11.113 -1.872 595 HE2 LYS 73 2HE LYS 73 -7.300 -13.574 -0.107 596 HE3 LYS 73 1HE LYS 73 -8.384 -13.194 -1.443 597 HZ1 LYS 73 1HZ LYS 73 -5.481 -13.801 -1.621 598 HZ2 LYS 73 2HZ LYS 73 -6.409 -13.269 -2.919 599 HZ3 LYS 73 3HZ LYS 73 -6.753 -14.753 -2.195 600 H ALA 74 H ALA 74 -3.100 -7.685 -1.184 601 HA ALA 74 HA ALA 74 -1.839 -9.302 -3.202 602 HB1 ALA 74 1HB ALA 74 -1.208 -7.137 -4.212 603 HB2 ALA 74 2HB ALA 74 -1.790 -6.296 -2.775 604 HB3 ALA 74 3HB ALA 74 -2.921 -7.186 -3.789 605 H LEU 75 H LEU 75 -0.733 -7.630 -0.271 606 HA LEU 75 HA LEU 75 2.076 -8.171 -1.000 607 HB2 LEU 75 2HB LEU 75 1.068 -6.596 1.393 608 HB3 LEU 75 1HB LEU 75 2.735 -6.762 0.896 609 HG LEU 75 HG LEU 75 0.561 -5.100 -0.411 610 HD11 LEU 75 1HD1 LEU 75 2.165 -3.242 -0.032 611 HD12 LEU 75 2HD1 LEU 75 3.249 -4.367 0.791 612 HD13 LEU 75 3HD1 LEU 75 1.652 -4.028 1.452 613 HD21 LEU 75 1HD2 LEU 75 1.640 -6.043 -2.330 614 HD22 LEU 75 2HD2 LEU 75 3.250 -5.807 -1.637 615 HD23 LEU 75 3HD2 LEU 75 2.283 -4.419 -2.127 616 H THR 76 H THR 76 -0.344 -9.410 1.249 617 HA THR 76 HA THR 76 1.390 -10.383 3.224 618 HB THR 76 HB THR 76 -1.415 -11.257 2.459 619 HG1 THR 76 HG1 THR 76 -0.817 -9.263 3.694 620 HG21 THR 76 1HG2 THR 76 -0.365 -13.322 3.335 621 HG22 THR 76 2HG2 THR 76 -1.500 -12.661 4.509 622 HG23 THR 76 3HG2 THR 76 0.236 -12.439 4.738 623 HA PRO 77 HA PRO 77 1.856 -14.640 0.832 624 HB2 PRO 77 2HB PRO 77 1.705 -13.796 -2.029 625 HB3 PRO 77 1HB PRO 77 1.051 -15.242 -1.242 626 HG2 PRO 77 2HG PRO 77 -0.540 -13.234 -2.047 627 HG3 PRO 77 1HG PRO 77 -0.896 -14.185 -0.586 628 HD2 PRO 77 2HD PRO 77 0.265 -11.418 -0.814 629 HD3 PRO 77 1HD PRO 77 -0.889 -12.082 0.361 630 H LEU 78 H LEU 78 2.849 -11.668 -0.889 631 HA LEU 78 HA LEU 78 5.552 -12.531 -1.422 632 HB2 LEU 78 2HB LEU 78 4.649 -9.616 -1.367 633 HB3 LEU 78 1HB LEU 78 5.975 -10.318 -2.278 634 HG LEU 78 HG LEU 78 3.003 -10.770 -2.870 635 HD11 LEU 78 1HD1 LEU 78 3.276 -9.414 -4.859 636 HD12 LEU 78 2HD1 LEU 78 4.962 -9.098 -4.462 637 HD13 LEU 78 3HD1 LEU 78 3.678 -8.470 -3.431 638 HD21 LEU 78 1HD2 LEU 78 3.690 -11.859 -4.957 639 HD22 LEU 78 2HD2 LEU 78 4.354 -12.730 -3.586 640 HD23 LEU 78 3HD2 LEU 78 5.390 -11.669 -4.537 641 H ALA 79 H ALA 79 3.978 -11.158 1.322 642 HA ALA 79 HA ALA 79 6.304 -9.964 2.552 643 HB1 ALA 79 1HB ALA 79 4.845 -9.636 4.506 644 HB2 ALA 79 2HB ALA 79 3.591 -10.637 3.768 645 HB3 ALA 79 3HB ALA 79 4.042 -9.100 3.032 646 H ILE 80 H ILE 80 4.255 -12.808 3.259 647 HA ILE 80 HA ILE 80 5.822 -14.010 5.258 648 HB ILE 80 HB ILE 80 3.959 -15.385 3.250 649 HG12 ILE 80 2HG1 ILE 80 3.406 -14.376 6.087 650 HG13 ILE 80 1HG1 ILE 80 2.748 -13.713 4.599 651 HG21 ILE 80 1HG2 ILE 80 5.476 -17.041 4.235 652 HG22 ILE 80 2HG2 ILE 80 3.852 -17.278 4.877 653 HG23 ILE 80 3HG2 ILE 80 5.084 -16.482 5.861 654 HD11 ILE 80 1HD1 ILE 80 1.531 -15.813 4.225 655 HD12 ILE 80 2HD1 ILE 80 1.100 -15.015 5.736 656 HD13 ILE 80 3HD1 ILE 80 2.153 -16.426 5.761 657 H ASN 81 H ASN 81 5.732 -14.564 1.748 658 HA ASN 81 HA ASN 81 7.944 -16.425 1.788 659 HB2 ASN 81 2HB ASN 81 6.354 -15.204 -0.519 660 HB3 ASN 81 1HB ASN 81 7.648 -16.389 -0.723 661 HD21 ASN 81 1HD2 ASN 81 5.852 -17.549 -1.776 662 HD22 ASN 81 2HD2 ASN 81 4.835 -18.544 -0.795 663 H ARG 82 H ARG 82 7.841 -13.065 1.981 664 HA ARG 82 HA ARG 82 9.562 -11.649 2.386 665 HB2 ARG 82 2HB ARG 82 11.321 -14.129 2.107 666 HB3 ARG 82 1HB ARG 82 11.872 -12.574 2.716 667 HG2 ARG 82 2HG ARG 82 10.235 -12.777 4.612 668 HG3 ARG 82 1HG ARG 82 9.824 -14.393 4.027 669 HD2 ARG 82 2HD ARG 82 11.428 -14.523 5.864 670 HD3 ARG 82 1HD ARG 82 12.165 -15.111 4.368 671 HE ARG 82 HE ARG 82 12.988 -12.620 4.290 672 HH11 ARG 82 1HH1 ARG 82 12.943 -14.722 7.120 673 HH12 ARG 82 2HH1 ARG 82 14.296 -13.923 7.857 674 HH21 ARG 82 1HH2 ARG 82 14.720 -11.586 5.281 675 HH22 ARG 82 2HH2 ARG 82 15.305 -12.145 6.820 676 H THR 83 H THR 83 8.663 -12.044 -0.374 677 HA THR 83 HA THR 83 11.032 -11.553 -2.025 678 HB THR 83 HB THR 83 9.406 -11.623 -3.949 679 HG1 THR 83 HG1 THR 83 7.267 -12.217 -3.525 680 HG21 THR 83 1HG2 THR 83 10.555 -13.700 -3.307 681 HG22 THR 83 2HG2 THR 83 8.900 -14.050 -3.808 682 HG23 THR 83 3HG2 THR 83 9.316 -14.029 -2.096 683 H LEU 84 H LEU 84 8.417 -9.877 -0.472 684 HA LEU 84 HA LEU 84 8.619 -7.446 -1.978 685 HB2 LEU 84 2HB LEU 84 6.659 -8.193 -0.464 686 HB3 LEU 84 1HB LEU 84 7.656 -7.714 0.892 687 HG LEU 84 HG LEU 84 7.720 -5.352 -0.390 688 HD11 LEU 84 1HD1 LEU 84 5.544 -4.843 -1.470 689 HD12 LEU 84 2HD1 LEU 84 5.160 -6.564 -1.462 690 HD13 LEU 84 3HD1 LEU 84 6.529 -5.966 -2.396 691 HD21 LEU 84 1HD2 LEU 84 6.848 -5.661 1.871 692 HD22 LEU 84 2HD2 LEU 84 5.316 -6.248 1.229 693 HD23 LEU 84 3HD2 LEU 84 5.814 -4.578 0.944 694 H ASN 85 H ASN 85 9.957 -5.663 -1.592 695 HA ASN 85 HA ASN 85 12.560 -6.350 -0.769 696 HB2 ASN 85 2HB ASN 85 11.496 -3.545 -1.348 697 HB3 ASN 85 1HB ASN 85 13.196 -3.955 -1.130 698 HD21 ASN 85 1HD2 ASN 85 13.622 -3.166 -3.201 699 HD22 ASN 85 2HD2 ASN 85 13.242 -4.073 -4.618 700 H HIS 86 H HIS 86 10.023 -4.947 1.111 701 HA HIS 86 HA HIS 86 9.725 -4.937 3.330 702 HB2 HIS 86 2HB HIS 86 11.132 -7.032 3.227 703 HB3 HIS 86 1HB HIS 86 12.553 -6.055 3.586 704 HD1 HIS 86 HD1 HIS 86 9.568 -7.639 5.171 705 HD2 HIS 86 HD2 HIS 86 12.748 -5.224 6.301 706 HE1 HIS 86 HE1 HIS 86 9.623 -7.718 7.670 707 HE2 HIS 86 HE2 HIS 86 11.412 -6.092 8.328 708 H ASP 87 H ASP 87 11.878 -2.944 1.801 709 HA ASP 87 HA ASP 87 12.920 -1.477 4.053 710 HB2 ASP 87 2HB ASP 87 14.197 -1.510 1.946 711 HB3 ASP 87 1HB ASP 87 12.899 -0.735 1.070 712 H LEU 88 H LEU 88 9.824 -1.619 2.633 713 HA LEU 88 HA LEU 88 8.999 0.664 4.295 714 HB2 LEU 88 2HB LEU 88 6.967 0.913 2.761 715 HB3 LEU 88 1HB LEU 88 8.472 1.601 2.204 716 HG LEU 88 HG LEU 88 7.757 -1.163 1.209 717 HD11 LEU 88 1HD1 LEU 88 6.468 1.357 0.138 718 HD12 LEU 88 2HD1 LEU 88 5.650 0.034 0.965 719 HD13 LEU 88 3HD1 LEU 88 6.392 -0.244 -0.606 720 HD21 LEU 88 1HD2 LEU 88 8.879 -0.351 -0.835 721 HD22 LEU 88 2HD2 LEU 88 9.918 -0.155 0.571 722 HD23 LEU 88 3HD2 LEU 88 9.085 1.244 -0.102 723 H SER 89 H SER 89 9.359 -1.997 5.106 724 HA SER 89 HA SER 89 6.927 -3.425 5.317 725 HB2 SER 89 2HB SER 89 8.037 -4.521 7.318 726 HB3 SER 89 1HB SER 89 8.980 -4.551 5.828 727 HG SER 89 HG SER 89 9.593 -3.436 8.210 728 H GLU 90 H GLU 90 8.139 -0.617 6.989 729 HA GLU 90 HA GLU 90 6.265 -0.565 9.141 730 HB2 GLU 90 2HB GLU 90 8.071 1.555 7.943 731 HB3 GLU 90 1HB GLU 90 6.920 1.952 9.213 732 HG2 GLU 90 2HG GLU 90 9.182 -0.055 9.432 733 HG3 GLU 90 1HG GLU 90 9.140 1.552 10.148 734 H LEU 91 H LEU 91 5.959 0.254 5.760 735 HA LEU 91 HA LEU 91 3.563 1.847 6.082 736 HB2 LEU 91 2HB LEU 91 5.252 1.695 4.038 737 HB3 LEU 91 1HB LEU 91 4.226 0.376 3.497 738 HG LEU 91 HG LEU 91 3.263 3.236 4.012 739 HD11 LEU 91 1HD1 LEU 91 3.840 1.914 1.346 740 HD12 LEU 91 2HD1 LEU 91 4.796 3.184 2.118 741 HD13 LEU 91 3HD1 LEU 91 3.150 3.519 1.608 742 HD21 LEU 91 1HD2 LEU 91 1.224 2.613 2.811 743 HD22 LEU 91 2HD2 LEU 91 1.441 1.647 4.263 744 HD23 LEU 91 3HD2 LEU 91 1.791 0.945 2.684 745 H TYR 92 H TYR 92 4.278 -1.572 5.328 746 HA TYR 92 HA TYR 92 1.629 -2.523 5.205 747 HB2 TYR 92 2HB TYR 92 3.411 -3.958 4.425 748 HB3 TYR 92 1HB TYR 92 4.191 -3.941 5.998 749 HD1 TYR 92 HD1 TYR 92 3.903 -5.848 7.356 750 HD2 TYR 92 HD2 TYR 92 0.868 -4.919 4.484 751 HE1 TYR 92 HE1 TYR 92 2.687 -7.894 7.967 752 HE2 TYR 92 HE2 TYR 92 -0.333 -6.973 5.097 753 HH TYR 92 HH TYR 92 0.454 -8.798 7.875 754 H LYS 93 H LYS 93 3.841 -2.047 7.909 755 HA LYS 93 HA LYS 93 2.221 -2.909 10.068 756 HB2 LYS 93 2HB LYS 93 4.596 -2.688 10.391 757 HB3 LYS 93 1HB LYS 93 4.608 -1.028 9.842 758 HG2 LYS 93 2HG LYS 93 3.133 -1.725 12.378 759 HG3 LYS 93 1HG LYS 93 4.892 -1.606 12.398 760 HD2 LYS 93 2HD LYS 93 4.713 0.720 11.492 761 HD3 LYS 93 1HD LYS 93 2.954 0.594 11.582 762 HE2 LYS 93 2HE LYS 93 3.756 1.821 13.506 763 HE3 LYS 93 1HE LYS 93 3.170 0.251 14.062 764 HZ1 LYS 93 1HZ LYS 93 5.399 -0.536 14.239 765 HZ2 LYS 93 2HZ LYS 93 5.324 0.954 15.038 766 HZ3 LYS 93 3HZ LYS 93 6.025 0.852 13.503 767 H PHE 94 H PHE 94 2.538 0.151 8.365 768 HA PHE 94 HA PHE 94 1.045 1.756 10.159 769 HB2 PHE 94 2HB PHE 94 2.555 2.867 8.665 770 HB3 PHE 94 1HB PHE 94 1.840 2.113 7.243 771 HD1 PHE 94 HD1 PHE 94 1.110 4.538 10.006 772 HD2 PHE 94 HD2 PHE 94 0.117 3.208 6.064 773 HE1 PHE 94 HE1 PHE 94 -0.415 6.441 9.736 774 HE2 PHE 94 HE2 PHE 94 -1.394 5.103 5.815 775 HZ PHE 94 HZ PHE 94 -1.672 6.732 7.638 776 H ILE 95 H ILE 95 0.051 -0.182 7.297 777 HA ILE 95 HA ILE 95 -2.654 0.844 7.405 778 HB ILE 95 HB ILE 95 -3.271 -0.517 5.596 779 HG12 ILE 95 2HG1 ILE 95 -1.084 -2.471 6.410 780 HG13 ILE 95 1HG1 ILE 95 -2.794 -2.755 6.179 781 HG21 ILE 95 1HG2 ILE 95 -1.608 1.196 5.021 782 HG22 ILE 95 2HG2 ILE 95 -1.569 -0.154 3.895 783 HG23 ILE 95 3HG2 ILE 95 -0.320 0.003 5.133 784 HD11 ILE 95 1HD1 ILE 95 -0.837 -2.222 3.947 785 HD12 ILE 95 2HD1 ILE 95 -2.553 -2.600 3.780 786 HD13 ILE 95 3HD1 ILE 95 -1.444 -3.800 4.443 787 H THR 96 H THR 96 -1.025 -1.192 9.457 788 HA THR 96 HA THR 96 -3.518 -2.425 10.469 789 HB THR 96 HB THR 96 -1.879 -3.984 11.730 790 HG1 THR 96 HG1 THR 96 -0.135 -3.025 9.691 791 HG21 THR 96 1HG2 THR 96 -1.888 -4.320 8.722 792 HG22 THR 96 2HG2 THR 96 -3.256 -4.720 9.759 793 HG23 THR 96 3HG2 THR 96 -1.729 -5.585 9.939 794 H SER 97 H SER 97 -2.008 0.309 10.897 795 HA SER 97 HA SER 97 -1.019 0.352 13.565 796 HB2 SER 97 2HB SER 97 -1.164 2.814 13.368 797 HB3 SER 97 1HB SER 97 -0.479 2.114 11.905 798 HG SER 97 HG SER 97 -2.064 2.931 10.826 799 H SER 98 H SER 98 -1.997 1.660 15.359 800 HA SER 98 HA SER 98 -4.578 0.816 16.134 801 HB2 SER 98 2HB SER 98 -2.917 3.110 17.272 802 HB3 SER 98 1HB SER 98 -4.290 2.333 18.069 803 HG SER 98 HG SER 98 -3.141 0.474 18.281 804 H LYS 99 H LYS 99 -3.469 3.640 14.418 805 HA LYS 99 HA LYS 99 -5.842 5.216 14.514 806 HB2 LYS 99 2HB LYS 99 -3.517 5.129 12.536 807 HB3 LYS 99 1HB LYS 99 -4.810 6.317 12.444 808 HG2 LYS 99 2HG LYS 99 -2.973 5.993 14.836 809 HG3 LYS 99 1HG LYS 99 -2.736 7.161 13.536 810 HD2 LYS 99 2HD LYS 99 -4.884 8.235 14.079 811 HD3 LYS 99 1HD LYS 99 -5.165 7.048 15.361 812 HE2 LYS 99 2HE LYS 99 -4.352 9.168 16.279 813 HE3 LYS 99 1HE LYS 99 -3.177 7.891 16.572 814 HZ1 LYS 99 1HZ LYS 99 -2.081 9.889 15.837 815 HZ2 LYS 99 2HZ LYS 99 -3.039 9.961 14.449 816 HZ3 LYS 99 3HZ LYS 99 -1.927 8.706 14.632 817 H ALA 100 H ALA 100 -4.762 2.555 12.487 818 HA ALA 100 HA ALA 100 -7.003 2.701 10.640 819 HB1 ALA 100 1HB ALA 100 -4.810 1.971 9.834 820 HB2 ALA 100 2HB ALA 100 -6.011 0.703 9.610 821 HB3 ALA 100 3HB ALA 100 -4.833 0.596 10.928 822 H SER 101 H SER 101 -6.464 1.368 13.730 823 HA SER 101 HA SER 101 -8.027 -1.051 13.449 824 HB2 SER 101 2HB SER 101 -6.742 0.293 15.880 825 HB3 SER 101 1HB SER 101 -7.540 -1.284 15.917 826 HG SER 101 HG SER 101 -5.594 -0.930 13.962 827 H ASN 102 H ASN 102 -9.657 0.838 12.653 828 HA ASN 102 HA ASN 102 -11.440 1.979 14.523 829 HB2 ASN 102 2HB ASN 102 -11.258 2.789 12.231 830 HB3 ASN 102 1HB ASN 102 -11.709 1.211 11.587 831 HD21 ASN 102 1HD2 ASN 102 -13.431 2.028 10.436 832 HD22 ASN 102 2HD2 ASN 102 -14.869 2.610 11.175 833 H LYS 103 H LYS 103 -11.788 -0.865 12.392 834 HA LYS 103 HA LYS 103 -12.979 -2.474 14.466 835 HB2 LYS 103 2HB LYS 103 -14.939 -1.176 13.581 836 HB3 LYS 103 1HB LYS 103 -14.639 -1.845 11.980 837 HG2 LYS 103 2HG LYS 103 -15.072 -4.109 12.838 838 HG3 LYS 103 1HG LYS 103 -15.332 -3.456 14.458 839 HD2 LYS 103 2HD LYS 103 -17.279 -2.166 13.607 840 HD3 LYS 103 1HD LYS 103 -17.013 -2.852 12.001 841 HE2 LYS 103 2HE LYS 103 -17.418 -5.120 12.898 842 HE3 LYS 103 1HE LYS 103 -17.683 -4.431 14.504 843 HZ1 LYS 103 1HZ LYS 103 -19.328 -3.950 12.085 844 HZ2 LYS 103 2HZ LYS 103 -19.551 -3.161 13.559 845 HZ3 LYS 103 3HZ LYS 103 -19.778 -4.832 13.452 846 H ASN 104 H ASN 104 -13.000 -2.525 10.850 847 HA ASN 104 HA ASN 104 -11.133 -4.811 10.851 848 HB2 ASN 104 2HB ASN 104 -13.867 -4.855 9.487 849 HB3 ASN 104 1HB ASN 104 -12.601 -6.032 9.159 850 HD21 ASN 104 1HD2 ASN 104 -15.160 -5.153 11.259 851 HD22 ASN 104 2HD2 ASN 104 -14.988 -6.450 12.386 852 H LEU 105 H LEU 105 -11.224 -1.811 9.850 853 HA LEU 105 HA LEU 105 -10.736 -2.035 7.003 854 HB2 LEU 105 2HB LEU 105 -9.228 0.161 8.419 855 HB3 LEU 105 1HB LEU 105 -10.224 0.246 6.992 856 HG LEU 105 HG LEU 105 -11.204 0.362 9.854 857 HD11 LEU 105 1HD1 LEU 105 -11.669 2.741 9.383 858 HD12 LEU 105 2HD1 LEU 105 -10.956 2.563 7.776 859 HD13 LEU 105 3HD1 LEU 105 -9.957 2.352 9.213 860 HD21 LEU 105 1HD2 LEU 105 -13.380 1.113 8.906 861 HD22 LEU 105 2HD2 LEU 105 -13.026 -0.572 8.596 862 HD23 LEU 105 3HD2 LEU 105 -12.830 0.625 7.304 863 H GLY 106 H GLY 106 -8.543 -1.383 9.719 864 HA2 GLY 106 2HA GLY 106 -6.160 -1.695 8.297 865 HA3 GLY 106 1HA GLY 106 -6.324 -1.697 10.044 866 H GLY 107 H GLY 107 -7.985 -4.044 10.198 867 HA2 GLY 107 2HA GLY 107 -7.410 -6.374 9.058 868 HA3 GLY 107 1HA GLY 107 -5.901 -6.101 9.922 869 H GLY 108 H GLY 108 -9.391 -6.445 10.313 870 HA2 GLY 108 2HA GLY 108 -9.379 -6.746 13.168 871 HA3 GLY 108 1HA GLY 108 -10.691 -7.179 12.074 872 H LEU 109 H LEU 109 -9.610 -8.985 10.423 873 HA LEU 109 HA LEU 109 -8.523 -11.185 12.098 874 HB2 LEU 109 2HB LEU 109 -10.499 -11.391 9.768 875 HB3 LEU 109 1HB LEU 109 -9.782 -12.757 10.603 876 HG LEU 109 HG LEU 109 -11.663 -10.744 11.887 877 HD11 LEU 109 1HD1 LEU 109 -12.834 -12.087 10.200 878 HD12 LEU 109 2HD1 LEU 109 -13.370 -12.511 11.821 879 HD13 LEU 109 3HD1 LEU 109 -12.259 -13.576 10.956 880 HD21 LEU 109 1HD2 LEU 109 -10.110 -11.709 13.508 881 HD22 LEU 109 2HD2 LEU 109 -10.547 -13.338 12.993 882 HD23 LEU 109 3HD2 LEU 109 -11.744 -12.310 13.786 883 H ILE 110 H ILE 110 -6.394 -11.116 11.495 884 HA ILE 110 HA ILE 110 -5.491 -10.518 8.856 885 HB ILE 110 HB ILE 110 -4.088 -11.590 11.343 886 HG12 ILE 110 2HG1 ILE 110 -2.756 -9.467 11.141 887 HG13 ILE 110 1HG1 ILE 110 -3.662 -9.028 9.702 888 HG21 ILE 110 1HG2 ILE 110 -2.729 -11.280 8.629 889 HG22 ILE 110 2HG2 ILE 110 -2.996 -12.789 9.503 890 HG23 ILE 110 3HG2 ILE 110 -1.909 -11.573 10.164 891 HD11 ILE 110 1HD1 ILE 110 -4.425 -7.742 11.573 892 HD12 ILE 110 2HD1 ILE 110 -4.709 -9.186 12.538 893 HD13 ILE 110 3HD1 ILE 110 -5.709 -8.861 11.117 894 H MET 111 H MET 111 -5.963 -11.835 7.245 895 HA MET 111 HA MET 111 -5.723 -14.746 7.421 896 HB2 MET 111 2HB MET 111 -7.539 -13.841 6.039 897 HB3 MET 111 1HB MET 111 -6.410 -12.851 5.121 898 HG2 MET 111 2HG MET 111 -5.402 -14.869 4.160 899 HG3 MET 111 1HG MET 111 -6.481 -15.885 5.116 900 HE1 MET 111 1HE MET 111 -7.578 -12.471 3.459 901 HE2 MET 111 2HE MET 111 -8.072 -13.009 1.856 902 HE3 MET 111 3HE MET 111 -6.373 -13.067 2.312 903 H SER 112 H SER 112 -3.516 -15.037 7.855 904 HA SER 112 HA SER 112 -1.450 -13.967 6.119 905 HB2 SER 112 2HB SER 112 -1.356 -16.191 8.230 906 HB3 SER 112 1HB SER 112 0.056 -15.547 7.380 907 HG SER 112 HG SER 112 -0.674 -13.422 8.224 908 H TRP 113 H TRP 113 -3.426 -16.825 6.397 909 HA TRP 113 HA TRP 113 -3.770 -18.678 5.224 910 HB2 TRP 113 2HB TRP 113 -4.159 -16.938 3.395 911 HB3 TRP 113 1HB TRP 113 -2.530 -17.260 2.812 912 HD1 TRP 113 HD1 TRP 113 -2.133 -19.632 1.539 913 HE1 TRP 113 HE1 TRP 113 -3.770 -21.331 0.506 914 HE3 TRP 113 HE3 TRP 113 -6.496 -17.962 3.647 915 HZ2 TRP 113 HZ2 TRP 113 -6.534 -21.893 0.573 916 HZ3 TRP 113 HZ3 TRP 113 -8.595 -19.133 3.110 917 HH2 TRP 113 HH2 TRP 113 -8.611 -21.059 1.602 918 H GLY 114 H GLY 114 -2.267 -19.727 6.568 919 HA2 GLY 114 2HA GLY 114 0.513 -20.000 5.919 920 HA3 GLY 114 1HA GLY 114 -0.373 -20.880 7.154 921 H ARG 115 H ARG 115 0.286 -20.710 3.697 922 HA ARG 115 HA ARG 115 -0.876 -23.268 3.064 923 HB2 ARG 115 2HB ARG 115 -0.853 -21.440 1.402 924 HB3 ARG 115 1HB ARG 115 0.907 -21.418 1.419 925 HG2 ARG 115 2HG ARG 115 0.918 -23.743 0.519 926 HG3 ARG 115 1HG ARG 115 -0.846 -23.691 0.424 927 HD2 ARG 115 2HD ARG 115 0.093 -23.220 -1.761 928 HD3 ARG 115 1HD ARG 115 -0.655 -21.743 -1.141 929 HE ARG 115 HE ARG 115 2.063 -21.720 -0.427 930 HH11 ARG 115 1HH1 ARG 115 0.101 -21.480 -3.351 931 HH12 ARG 115 2HH1 ARG 115 1.277 -20.531 -4.206 932 HH21 ARG 115 1HH2 ARG 115 3.610 -20.503 -1.581 933 HH22 ARG 115 2HH2 ARG 115 3.260 -19.979 -3.202 934 H LEU 116 H LEU 116 2.479 -22.084 2.607 935 HA LEU 116 HA LEU 116 3.803 -24.134 4.009 936 HB2 LEU 116 2HB LEU 116 2.948 -25.603 2.197 937 HB3 LEU 116 1HB LEU 116 3.681 -24.567 0.986 938 HG LEU 116 HG LEU 116 5.950 -25.174 1.895 939 HD11 LEU 116 1HD1 LEU 116 4.441 -27.158 3.619 940 HD12 LEU 116 2HD1 LEU 116 5.343 -25.752 4.186 941 HD13 LEU 116 3HD1 LEU 116 6.196 -27.086 3.415 942 HD21 LEU 116 1HD2 LEU 116 6.024 -27.440 0.931 943 HD22 LEU 116 2HD2 LEU 116 5.060 -26.348 -0.061 944 HD23 LEU 116 3HD2 LEU 116 4.259 -27.527 0.981 945 H PHE 117 H PHE 117 5.091 -22.456 4.714 946 HA PHE 117 HA PHE 117 7.449 -22.043 3.163 947 HB2 PHE 117 2HB PHE 117 5.952 -20.154 2.302 948 HB3 PHE 117 1HB PHE 117 5.937 -19.487 3.932 949 HD1 PHE 117 HD1 PHE 117 7.801 -18.132 4.709 950 HD2 PHE 117 HD2 PHE 117 8.152 -20.337 1.058 951 HE1 PHE 117 HE1 PHE 117 9.931 -16.990 4.208 952 HE2 PHE 117 HE2 PHE 117 10.272 -19.187 0.570 953 HZ PHE 117 HZ PHE 117 11.164 -17.518 2.144 Start of MODEL 11 1 H1 MET 1 1H MET 1 14.991 13.128 -11.106 2 H2 MET 1 2H MET 1 16.154 12.038 -10.563 3 H3 MET 1 3H MET 1 15.989 12.339 -12.214 4 HA MET 1 HA MET 1 17.913 13.461 -11.360 5 HB2 MET 1 2HB MET 1 15.597 15.308 -12.087 6 HB3 MET 1 1HB MET 1 17.274 15.837 -12.008 7 HG2 MET 1 2HG MET 1 16.622 15.423 -14.315 8 HG3 MET 1 1HG MET 1 17.851 14.258 -13.813 9 HE1 MET 1 1HE MET 1 15.959 13.927 -16.447 10 HE2 MET 1 2HE MET 1 15.579 12.208 -16.336 11 HE3 MET 1 3HE MET 1 17.216 12.771 -16.003 12 H SER 2 H SER 2 18.840 15.007 -9.893 13 HA SER 2 HA SER 2 17.895 14.728 -7.209 14 HB2 SER 2 2HB SER 2 20.146 16.500 -8.272 15 HB3 SER 2 1HB SER 2 19.933 15.964 -6.602 16 HG SER 2 HG SER 2 20.194 13.811 -7.359 17 H GLY 3 H GLY 3 16.040 15.809 -6.687 18 HA2 GLY 3 2HA GLY 3 15.814 18.727 -7.261 19 HA3 GLY 3 1HA GLY 3 14.452 17.622 -7.173 20 H SER 4 H SER 4 17.282 18.122 -5.082 21 HA SER 4 HA SER 4 15.708 17.812 -2.684 22 HB2 SER 4 2HB SER 4 18.656 18.526 -2.999 23 HB3 SER 4 1HB SER 4 17.867 18.001 -1.508 24 HG SER 4 HG SER 4 17.293 16.194 -3.339 25 H HIS 5 H HIS 5 17.334 20.525 -4.328 26 HA HIS 5 HA HIS 5 16.796 22.480 -2.277 27 HB2 HIS 5 2HB HIS 5 18.672 22.737 -3.910 28 HB3 HIS 5 1HB HIS 5 17.504 22.934 -5.210 29 HD1 HIS 5 HD1 HIS 5 17.973 25.329 -5.857 30 HD2 HIS 5 HD2 HIS 5 17.413 24.876 -1.758 31 HE1 HIS 5 HE1 HIS 5 17.979 27.658 -4.904 32 HE2 HIS 5 HE2 HIS 5 17.713 27.349 -2.421 33 H HIS 6 H HIS 6 15.178 21.391 -5.206 34 HA HIS 6 HA HIS 6 12.810 23.056 -4.579 35 HB2 HIS 6 2HB HIS 6 13.569 21.505 -7.095 36 HB3 HIS 6 1HB HIS 6 12.003 22.274 -6.862 37 HD1 HIS 6 HD1 HIS 6 13.800 23.119 -9.220 38 HD2 HIS 6 HD2 HIS 6 13.767 25.053 -5.536 39 HE1 HIS 6 HE1 HIS 6 14.618 25.459 -9.664 40 HE2 HIS 6 HE2 HIS 6 14.371 26.644 -7.469 41 H HIS 7 H HIS 7 13.430 21.031 -2.815 42 HA HIS 7 HA HIS 7 12.219 18.563 -3.118 43 HB2 HIS 7 2HB HIS 7 11.987 18.575 -0.617 44 HB3 HIS 7 1HB HIS 7 13.578 19.082 -1.173 45 HD1 HIS 7 HD1 HIS 7 10.523 20.330 0.579 46 HD2 HIS 7 HD2 HIS 7 14.235 21.792 -0.600 47 HE1 HIS 7 HE1 HIS 7 10.762 22.567 1.706 48 HE2 HIS 7 HE2 HIS 7 13.079 23.338 1.116 49 H HIS 8 H HIS 8 10.172 17.910 -3.412 50 HA HIS 8 HA HIS 8 8.107 19.879 -3.750 51 HB2 HIS 8 2HB HIS 8 8.100 16.861 -4.136 52 HB3 HIS 8 1HB HIS 8 6.694 17.881 -4.452 53 HD1 HIS 8 HD1 HIS 8 8.421 16.183 -6.579 54 HD2 HIS 8 HD2 HIS 8 8.490 20.285 -6.008 55 HE1 HIS 8 HE1 HIS 8 9.194 17.135 -8.759 56 HE2 HIS 8 HE2 HIS 8 9.428 19.597 -8.307 57 H HIS 9 H HIS 9 7.919 20.693 -1.679 58 HA HIS 9 HA HIS 9 6.416 19.079 0.290 59 HB2 HIS 9 2HB HIS 9 8.471 20.122 1.202 60 HB3 HIS 9 1HB HIS 9 7.949 21.707 0.640 61 HD1 HIS 9 HD1 HIS 9 6.750 23.083 2.335 62 HD2 HIS 9 HD2 HIS 9 6.583 19.029 3.248 63 HE1 HIS 9 HE1 HIS 9 5.553 22.936 4.536 64 HE2 HIS 9 HE2 HIS 9 5.637 20.498 5.146 65 H HIS 10 H HIS 10 4.273 19.348 0.048 66 HA HIS 10 HA HIS 10 2.995 21.735 -0.958 67 HB2 HIS 10 2HB HIS 10 2.063 19.383 -1.219 68 HB3 HIS 10 1HB HIS 10 1.771 19.347 0.516 69 HD1 HIS 10 HD1 HIS 10 0.413 20.584 -2.675 70 HD2 HIS 10 HD2 HIS 10 -0.402 21.048 1.371 71 HE1 HIS 10 HE1 HIS 10 -1.852 21.637 -2.560 72 HE2 HIS 10 HE2 HIS 10 -2.222 22.099 -0.123 73 H SER 11 H SER 11 1.601 23.123 0.354 74 HA SER 11 HA SER 11 2.670 24.174 2.687 75 HB2 SER 11 2HB SER 11 -0.224 24.318 1.740 76 HB3 SER 11 1HB SER 11 0.530 25.430 2.881 77 HG SER 11 HG SER 11 0.384 26.099 0.603 78 H SER 12 H SER 12 2.166 24.103 4.844 79 HA SER 12 HA SER 12 1.682 21.682 6.082 80 HB2 SER 12 2HB SER 12 1.312 24.468 7.246 81 HB3 SER 12 1HB SER 12 1.546 22.984 8.174 82 HG SER 12 HG SER 12 3.607 22.795 7.342 83 H GLY 13 H GLY 13 -0.602 24.305 5.415 84 HA2 GLY 13 2HA GLY 13 -2.896 22.989 6.614 85 HA3 GLY 13 1HA GLY 13 -2.879 24.490 5.702 86 H ILE 14 H ILE 14 -2.308 21.027 5.194 87 HA ILE 14 HA ILE 14 -3.204 21.105 2.432 88 HB ILE 14 HB ILE 14 -1.341 19.646 2.947 89 HG12 ILE 14 2HG1 ILE 14 -3.851 18.056 2.234 90 HG13 ILE 14 1HG1 ILE 14 -2.763 18.876 1.123 91 HG21 ILE 14 1HG2 ILE 14 -1.458 17.695 4.444 92 HG22 ILE 14 2HG2 ILE 14 -3.108 18.127 4.895 93 HG23 ILE 14 3HG2 ILE 14 -1.776 19.200 5.316 94 HD11 ILE 14 1HD1 ILE 14 -2.122 16.440 2.777 95 HD12 ILE 14 2HD1 ILE 14 -0.987 17.287 1.721 96 HD13 ILE 14 3HD1 ILE 14 -2.413 16.512 1.039 97 H GLU 15 H GLU 15 -5.124 20.385 1.627 98 HA GLU 15 HA GLU 15 -7.088 18.785 2.761 99 HB2 GLU 15 2HB GLU 15 -8.819 20.354 3.539 100 HB3 GLU 15 1HB GLU 15 -7.372 20.487 4.527 101 HG2 GLU 15 2HG GLU 15 -6.765 22.588 3.436 102 HG3 GLU 15 1HG GLU 15 -8.103 22.419 2.300 103 H GLY 16 H GLY 16 -9.337 19.225 1.680 104 HA2 GLY 16 2HA GLY 16 -9.716 20.740 -0.610 105 HA3 GLY 16 1HA GLY 16 -8.911 19.270 -1.157 106 H ARG 17 H ARG 17 -10.049 17.477 0.688 107 HA ARG 17 HA ARG 17 -12.704 17.040 -0.425 108 HB2 ARG 17 2HB ARG 17 -11.166 15.460 1.696 109 HB3 ARG 17 1HB ARG 17 -12.591 14.902 0.818 110 HG2 ARG 17 2HG ARG 17 -11.337 14.886 -1.278 111 HG3 ARG 17 1HG ARG 17 -9.928 15.569 -0.468 112 HD2 ARG 17 2HD ARG 17 -9.735 13.508 0.899 113 HD3 ARG 17 1HD ARG 17 -11.125 12.822 0.041 114 HE ARG 17 HE ARG 17 -9.034 13.732 -1.707 115 HH11 ARG 17 1HH1 ARG 17 -10.074 10.959 0.229 116 HH12 ARG 17 2HH1 ARG 17 -9.166 9.829 -0.732 117 HH21 ARG 17 1HH2 ARG 17 -7.852 12.216 -2.906 118 HH22 ARG 17 2HH2 ARG 17 -7.929 10.536 -2.478 119 H GLY 18 H GLY 18 -14.626 16.903 0.868 120 HA2 GLY 18 2HA GLY 18 -15.014 18.959 2.750 121 HA3 GLY 18 1HA GLY 18 -16.151 17.675 2.378 122 H ARG 19 H ARG 19 -13.617 18.732 4.486 123 HA ARG 19 HA ARG 19 -12.873 16.431 5.852 124 HB2 ARG 19 2HB ARG 19 -12.911 19.306 6.866 125 HB3 ARG 19 1HB ARG 19 -12.011 17.986 7.610 126 HG2 ARG 19 2HG ARG 19 -10.559 17.790 5.692 127 HG3 ARG 19 1HG ARG 19 -11.549 18.925 4.763 128 HD2 ARG 19 2HD ARG 19 -9.518 20.018 5.590 129 HD3 ARG 19 1HD ARG 19 -10.951 20.737 6.327 130 HE ARG 19 HE ARG 19 -10.218 18.895 8.162 131 HH11 ARG 19 1HH1 ARG 19 -8.354 21.451 6.561 132 HH12 ARG 19 2HH1 ARG 19 -7.279 21.652 7.906 133 HH21 ARG 19 1HH2 ARG 19 -8.824 19.193 9.906 134 HH22 ARG 19 2HH2 ARG 19 -7.548 20.369 9.820 135 H MET 20 H MET 20 -15.646 18.518 6.389 136 HA MET 20 HA MET 20 -16.287 17.526 9.017 137 HB2 MET 20 2HB MET 20 -18.142 19.008 7.105 138 HB3 MET 20 1HB MET 20 -18.327 18.851 8.848 139 HG2 MET 20 2HG MET 20 -17.560 21.061 8.419 140 HG3 MET 20 1HG MET 20 -16.187 20.174 9.092 141 HE1 MET 20 1HE MET 20 -16.123 23.024 7.326 142 HE2 MET 20 2HE MET 20 -14.619 22.729 6.450 143 HE3 MET 20 3HE MET 20 -14.737 22.323 8.160 144 H LYS 21 H LYS 21 -17.071 16.644 5.724 145 HA LYS 21 HA LYS 21 -19.136 14.702 6.383 146 HB2 LYS 21 2HB LYS 21 -17.562 15.013 3.774 147 HB3 LYS 21 1HB LYS 21 -19.047 14.094 3.991 148 HG2 LYS 21 2HG LYS 21 -18.742 17.096 4.160 149 HG3 LYS 21 1HG LYS 21 -19.492 16.193 2.846 150 HD2 LYS 21 2HD LYS 21 -21.265 15.428 4.425 151 HD3 LYS 21 1HD LYS 21 -20.510 16.382 5.706 152 HE2 LYS 21 2HE LYS 21 -20.900 18.440 4.377 153 HE3 LYS 21 1HE LYS 21 -21.695 17.472 3.131 154 HZ1 LYS 21 1HZ LYS 21 -23.348 16.793 4.819 155 HZ2 LYS 21 2HZ LYS 21 -23.336 18.464 4.575 156 HZ3 LYS 21 3HZ LYS 21 -22.607 17.811 5.945 157 H LYS 22 H LYS 22 -15.687 14.758 6.171 158 HA LYS 22 HA LYS 22 -15.292 11.941 5.607 159 HB2 LYS 22 2HB LYS 22 -13.323 14.142 6.354 160 HB3 LYS 22 1HB LYS 22 -12.863 12.519 5.858 161 HG2 LYS 22 2HG LYS 22 -14.401 14.460 4.114 162 HG3 LYS 22 1HG LYS 22 -12.652 14.269 4.074 163 HD2 LYS 22 2HD LYS 22 -14.662 12.074 3.471 164 HD3 LYS 22 1HD LYS 22 -13.805 13.029 2.258 165 HE2 LYS 22 2HE LYS 22 -11.642 12.164 3.158 166 HE3 LYS 22 1HE LYS 22 -12.549 11.145 4.281 167 HZ1 LYS 22 1HZ LYS 22 -13.568 10.043 2.384 168 HZ2 LYS 22 2HZ LYS 22 -11.887 9.911 2.314 169 HZ3 LYS 22 3HZ LYS 22 -12.694 11.010 1.318 170 H LYS 23 H LYS 23 -15.025 10.374 7.036 171 HA LYS 23 HA LYS 23 -15.356 10.713 9.869 172 HB2 LYS 23 2HB LYS 23 -14.619 8.244 8.244 173 HB3 LYS 23 1HB LYS 23 -15.174 8.239 9.917 174 HG2 LYS 23 2HG LYS 23 -17.373 9.022 9.266 175 HG3 LYS 23 1HG LYS 23 -16.845 9.286 7.604 176 HD2 LYS 23 2HD LYS 23 -16.987 6.572 8.980 177 HD3 LYS 23 1HD LYS 23 -18.189 7.205 7.856 178 HE2 LYS 23 2HE LYS 23 -16.412 7.307 6.089 179 HE3 LYS 23 1HE LYS 23 -15.292 6.549 7.225 180 HZ1 LYS 23 1HZ LYS 23 -16.835 4.644 7.345 181 HZ2 LYS 23 2HZ LYS 23 -16.228 4.884 5.789 182 HZ3 LYS 23 3HZ LYS 23 -17.806 5.363 6.165 183 H GLN 24 H GLN 24 -12.647 9.898 7.737 184 HA GLN 24 HA GLN 24 -10.747 10.238 9.966 185 HB2 GLN 24 2HB GLN 24 -9.303 8.471 8.930 186 HB3 GLN 24 1HB GLN 24 -10.826 7.868 9.566 187 HG2 GLN 24 2HG GLN 24 -11.750 7.753 7.293 188 HG3 GLN 24 1HG GLN 24 -10.238 8.390 6.645 189 HE21 GLN 24 1HE2 GLN 24 -8.435 7.026 6.522 190 HE22 GLN 24 2HE2 GLN 24 -8.549 5.318 6.732 191 H ILE 25 H ILE 25 -9.853 12.115 9.595 192 HA ILE 25 HA ILE 25 -8.935 12.962 6.945 193 HB ILE 25 HB ILE 25 -8.868 14.301 9.694 194 HG12 ILE 25 2HG1 ILE 25 -10.171 16.125 8.733 195 HG13 ILE 25 1HG1 ILE 25 -9.999 15.506 7.102 196 HG21 ILE 25 1HG2 ILE 25 -6.663 14.758 8.729 197 HG22 ILE 25 2HG2 ILE 25 -7.629 16.232 8.763 198 HG23 ILE 25 3HG2 ILE 25 -7.411 15.356 7.248 199 HD11 ILE 25 1HD1 ILE 25 -11.625 14.299 9.339 200 HD12 ILE 25 2HD1 ILE 25 -11.462 13.613 7.717 201 HD13 ILE 25 3HD1 ILE 25 -12.224 15.181 7.941 202 H GLU 26 H GLU 26 -7.617 12.121 10.144 203 HA GLU 26 HA GLU 26 -4.890 12.505 9.577 204 HB2 GLU 26 2HB GLU 26 -5.873 12.465 11.852 205 HB3 GLU 26 1HB GLU 26 -6.208 10.744 11.692 206 HG2 GLU 26 2HG GLU 26 -3.764 10.315 11.519 207 HG3 GLU 26 1HG GLU 26 -3.463 12.036 11.756 208 H PHE 27 H PHE 27 -6.788 9.469 9.698 209 HA PHE 27 HA PHE 27 -4.589 7.726 9.229 210 HB2 PHE 27 2HB PHE 27 -6.813 7.136 10.378 211 HB3 PHE 27 1HB PHE 27 -7.531 7.026 8.783 212 HD1 PHE 27 HD1 PHE 27 -5.759 5.256 11.346 213 HD2 PHE 27 HD2 PHE 27 -6.466 5.263 7.128 214 HE1 PHE 27 HE1 PHE 27 -5.055 2.901 11.210 215 HE2 PHE 27 HE2 PHE 27 -5.741 2.908 7.024 216 HZ PHE 27 HZ PHE 27 -5.034 1.738 9.051 217 H GLU 28 H GLU 28 -7.202 8.973 7.102 218 HA GLU 28 HA GLU 28 -6.475 7.459 4.820 219 HB2 GLU 28 2HB GLU 28 -8.738 8.351 4.999 220 HB3 GLU 28 1HB GLU 28 -8.131 10.004 4.988 221 HG2 GLU 28 2HG GLU 28 -7.350 9.763 2.700 222 HG3 GLU 28 1HG GLU 28 -7.772 8.067 2.673 223 H ASN 29 H ASN 29 -5.648 10.709 5.968 224 HA ASN 29 HA ASN 29 -4.464 11.602 3.525 225 HB2 ASN 29 2HB ASN 29 -5.456 13.209 5.097 226 HB3 ASN 29 1HB ASN 29 -4.204 12.846 6.288 227 HD21 ASN 29 1HD2 ASN 29 -2.239 13.847 6.076 228 HD22 ASN 29 2HD2 ASN 29 -1.858 14.983 4.836 229 H GLU 30 H GLU 30 -3.119 10.375 6.599 230 HA GLU 30 HA GLU 30 -0.374 10.694 5.828 231 HB2 GLU 30 2HB GLU 30 -1.096 10.654 8.204 232 HB3 GLU 30 1HB GLU 30 -1.538 8.956 8.044 233 HG2 GLU 30 2HG GLU 30 0.837 8.407 7.544 234 HG3 GLU 30 1HG GLU 30 1.256 10.109 7.737 235 H LEU 31 H LEU 31 -2.660 7.978 5.773 236 HA LEU 31 HA LEU 31 -0.945 5.918 4.887 237 HB2 LEU 31 2HB LEU 31 -3.258 5.277 5.405 238 HB3 LEU 31 1HB LEU 31 -3.865 6.367 4.180 239 HG LEU 31 HG LEU 31 -2.505 4.703 2.513 240 HD11 LEU 31 1HD1 LEU 31 -2.752 2.359 3.080 241 HD12 LEU 31 2HD1 LEU 31 -3.262 2.772 4.708 242 HD13 LEU 31 3HD1 LEU 31 -1.626 3.147 4.169 243 HD21 LEU 31 1HD2 LEU 31 -4.575 3.435 2.052 244 HD22 LEU 31 2HD2 LEU 31 -4.865 5.163 2.168 245 HD23 LEU 31 3HD2 LEU 31 -5.308 4.098 3.510 246 H ARG 32 H ARG 32 -2.860 8.185 3.011 247 HA ARG 32 HA ARG 32 -2.062 7.415 0.420 248 HB2 ARG 32 2HB ARG 32 -4.158 8.519 0.874 249 HB3 ARG 32 1HB ARG 32 -3.337 9.902 1.554 250 HG2 ARG 32 2HG ARG 32 -2.503 10.512 -0.677 251 HG3 ARG 32 1HG ARG 32 -3.344 9.120 -1.362 252 HD2 ARG 32 2HD ARG 32 -4.619 11.229 -1.655 253 HD3 ARG 32 1HD ARG 32 -5.501 10.055 -0.676 254 HE ARG 32 HE ARG 32 -3.953 12.261 0.555 255 HH11 ARG 32 1HH1 ARG 32 -6.972 10.482 0.245 256 HH12 ARG 32 2HH1 ARG 32 -7.757 11.363 1.518 257 HH21 ARG 32 1HH2 ARG 32 -5.003 13.445 2.175 258 HH22 ARG 32 2HH2 ARG 32 -6.634 13.046 2.609 259 H SER 33 H SER 33 -0.701 9.652 2.762 260 HA SER 33 HA SER 33 1.054 11.040 0.942 261 HB2 SER 33 2HB SER 33 0.189 12.132 2.964 262 HB3 SER 33 1HB SER 33 0.999 10.940 3.983 263 HG SER 33 HG SER 33 2.190 12.873 2.278 264 H MET 34 H MET 34 1.399 8.370 3.267 265 HA MET 34 HA MET 34 4.264 8.058 2.876 266 HB2 MET 34 2HB MET 34 2.252 6.196 4.249 267 HB3 MET 34 1HB MET 34 3.987 5.939 4.231 268 HG2 MET 34 2HG MET 34 4.235 8.114 5.506 269 HG3 MET 34 1HG MET 34 2.481 8.150 5.654 270 HE1 MET 34 1HE MET 34 1.084 6.121 6.937 271 HE2 MET 34 2HE MET 34 1.904 4.764 7.701 272 HE3 MET 34 3HE MET 34 1.928 4.926 5.946 273 H LEU 35 H LEU 35 1.371 6.945 1.416 274 HA LEU 35 HA LEU 35 2.528 4.705 -0.021 275 HB2 LEU 35 2HB LEU 35 -0.054 5.188 0.602 276 HB3 LEU 35 1HB LEU 35 -0.053 6.074 -0.896 277 HG LEU 35 HG LEU 35 0.545 3.084 -0.683 278 HD11 LEU 35 1HD1 LEU 35 -1.737 2.725 -1.526 279 HD12 LEU 35 2HD1 LEU 35 -2.065 4.457 -1.414 280 HD13 LEU 35 3HD1 LEU 35 -1.741 3.523 0.045 281 HD21 LEU 35 1HD2 LEU 35 0.086 3.075 -3.112 282 HD22 LEU 35 2HD2 LEU 35 1.496 4.046 -2.711 283 HD23 LEU 35 3HD2 LEU 35 -0.032 4.834 -3.081 284 H ALA 36 H ALA 36 1.768 8.137 -0.621 285 HA ALA 36 HA ALA 36 2.611 8.423 -3.263 286 HB1 ALA 36 1HB ALA 36 2.944 10.404 -0.989 287 HB2 ALA 36 2HB ALA 36 1.531 10.234 -2.025 288 HB3 ALA 36 3HB ALA 36 3.050 10.787 -2.713 289 H THR 37 H THR 37 4.477 8.569 -0.248 290 HA THR 37 HA THR 37 7.050 9.018 -1.251 291 HB THR 37 HB THR 37 6.302 7.297 1.167 292 HG1 THR 37 HG1 THR 37 5.876 9.938 0.704 293 HG21 THR 37 1HG2 THR 37 8.420 8.074 2.128 294 HG22 THR 37 2HG2 THR 37 8.775 9.000 0.668 295 HG23 THR 37 3HG2 THR 37 8.714 7.237 0.602 296 H ALA 38 H ALA 38 5.274 6.008 -0.620 297 HA ALA 38 HA ALA 38 7.307 4.181 -1.356 298 HB1 ALA 38 1HB ALA 38 5.409 3.634 0.113 299 HB2 ALA 38 2HB ALA 38 5.550 2.493 -1.227 300 HB3 ALA 38 3HB ALA 38 4.311 3.746 -1.252 301 H LEU 39 H LEU 39 4.901 5.898 -3.312 302 HA LEU 39 HA LEU 39 5.272 4.363 -5.722 303 HB2 LEU 39 2HB LEU 39 4.382 7.272 -5.462 304 HB3 LEU 39 1HB LEU 39 4.257 6.316 -6.921 305 HG LEU 39 HG LEU 39 2.659 5.742 -4.398 306 HD11 LEU 39 1HD1 LEU 39 2.065 7.941 -5.275 307 HD12 LEU 39 2HD1 LEU 39 0.753 6.785 -5.455 308 HD13 LEU 39 3HD1 LEU 39 1.734 7.227 -6.856 309 HD21 LEU 39 1HD2 LEU 39 1.204 4.440 -5.973 310 HD22 LEU 39 2HD2 LEU 39 2.790 3.740 -5.732 311 HD23 LEU 39 3HD2 LEU 39 2.439 4.642 -7.212 312 H GLU 40 H GLU 40 6.862 7.120 -4.251 313 HA GLU 40 HA GLU 40 8.564 7.784 -6.492 314 HB2 GLU 40 2HB GLU 40 8.739 8.639 -3.567 315 HB3 GLU 40 1HB GLU 40 9.704 9.306 -4.885 316 HG2 GLU 40 2HG GLU 40 7.634 10.104 -5.986 317 HG3 GLU 40 1HG GLU 40 6.693 9.470 -4.633 318 H LYS 41 H LYS 41 8.737 5.627 -3.785 319 HA LYS 41 HA LYS 41 11.559 5.048 -3.988 320 HB2 LYS 41 2HB LYS 41 9.263 3.531 -2.681 321 HB3 LYS 41 1HB LYS 41 10.962 3.092 -2.519 322 HG2 LYS 41 2HG LYS 41 9.660 5.648 -1.594 323 HG3 LYS 41 1HG LYS 41 10.131 4.282 -0.566 324 HD2 LYS 41 2HD LYS 41 12.520 4.655 -1.080 325 HD3 LYS 41 1HD LYS 41 12.119 5.893 -2.257 326 HE2 LYS 41 2HE LYS 41 11.446 7.441 -0.425 327 HE3 LYS 41 1HE LYS 41 11.799 6.186 0.783 328 HZ1 LYS 41 1HZ LYS 41 13.748 7.296 -1.147 329 HZ2 LYS 41 2HZ LYS 41 14.072 6.187 0.084 330 HZ3 LYS 41 3HZ LYS 41 13.605 7.764 0.469 331 H ASP 42 H ASP 42 12.561 3.426 -5.174 332 HA ASP 42 HA ASP 42 11.263 2.351 -7.478 333 HB2 ASP 42 2HB ASP 42 13.989 1.726 -6.256 334 HB3 ASP 42 1HB ASP 42 13.424 1.021 -7.770 335 H ILE 43 H ILE 43 9.819 0.797 -7.352 336 HA ILE 43 HA ILE 43 9.997 -1.285 -5.243 337 HB ILE 43 HB ILE 43 7.431 -1.297 -5.375 338 HG12 ILE 43 2HG1 ILE 43 7.943 1.306 -6.897 339 HG13 ILE 43 1HG1 ILE 43 7.041 -0.092 -7.459 340 HG21 ILE 43 1HG2 ILE 43 7.214 0.642 -3.839 341 HG22 ILE 43 2HG2 ILE 43 8.828 1.169 -4.316 342 HG23 ILE 43 3HG2 ILE 43 8.617 -0.365 -3.472 343 HD11 ILE 43 1HD1 ILE 43 6.208 1.795 -5.265 344 HD12 ILE 43 2HD1 ILE 43 5.310 0.371 -5.790 345 HD13 ILE 43 3HD1 ILE 43 5.558 1.714 -6.904 346 H SER 44 H SER 44 9.501 -3.367 -5.809 347 HA SER 44 HA SER 44 10.262 -4.307 -8.359 348 HB2 SER 44 2HB SER 44 8.672 -5.892 -6.278 349 HB3 SER 44 1HB SER 44 9.811 -6.536 -7.449 350 HG SER 44 HG SER 44 11.359 -5.058 -6.230 351 H GLN 45 H GLN 45 8.918 -5.394 -10.046 352 HA GLN 45 HA GLN 45 6.966 -3.773 -10.986 353 HB2 GLN 45 2HB GLN 45 8.209 -5.367 -12.366 354 HB3 GLN 45 1HB GLN 45 7.308 -6.714 -11.679 355 HG2 GLN 45 2HG GLN 45 5.271 -5.983 -12.744 356 HG3 GLN 45 1HG GLN 45 6.013 -4.463 -13.239 357 HE21 GLN 45 1HE2 GLN 45 7.461 -4.451 -14.967 358 HE22 GLN 45 2HE2 GLN 45 7.547 -5.742 -16.108 359 H GLU 46 H GLU 46 6.338 -6.641 -8.947 360 HA GLU 46 HA GLU 46 3.481 -6.631 -9.279 361 HB2 GLU 46 2HB GLU 46 5.204 -7.979 -7.162 362 HB3 GLU 46 1HB GLU 46 3.471 -8.230 -7.333 363 HG2 GLU 46 2HG GLU 46 4.460 -10.107 -8.348 364 HG3 GLU 46 1HG GLU 46 3.957 -9.087 -9.690 365 H GLU 47 H GLU 47 5.715 -5.097 -7.118 366 HA GLU 47 HA GLU 47 3.870 -4.445 -4.993 367 HB2 GLU 47 2HB GLU 47 6.596 -4.748 -5.010 368 HB3 GLU 47 1HB GLU 47 6.554 -3.029 -5.307 369 HG2 GLU 47 2HG GLU 47 5.486 -4.486 -2.871 370 HG3 GLU 47 1HG GLU 47 6.920 -3.493 -2.963 371 H ARG 48 H ARG 48 5.460 -2.829 -7.695 372 HA ARG 48 HA ARG 48 4.282 -0.309 -7.572 373 HB2 ARG 48 2HB ARG 48 6.198 -0.910 -9.059 374 HB3 ARG 48 1HB ARG 48 5.077 -1.821 -10.071 375 HG2 ARG 48 2HG ARG 48 3.802 0.256 -10.493 376 HG3 ARG 48 1HG ARG 48 4.972 1.152 -9.528 377 HD2 ARG 48 2HD ARG 48 6.729 0.696 -11.139 378 HD3 ARG 48 1HD ARG 48 5.672 -0.387 -12.050 379 HE ARG 48 HE ARG 48 5.546 2.546 -11.952 380 HH11 ARG 48 1HH1 ARG 48 4.331 -0.448 -13.309 381 HH12 ARG 48 2HH1 ARG 48 3.488 0.333 -14.612 382 HH21 ARG 48 1HH2 ARG 48 4.410 3.573 -13.629 383 HH22 ARG 48 2HH2 ARG 48 3.534 2.625 -14.791 384 H ASN 49 H ASN 49 3.213 -3.327 -9.134 385 HA ASN 49 HA ASN 49 0.857 -2.366 -10.292 386 HB2 ASN 49 2HB ASN 49 1.533 -5.163 -9.318 387 HB3 ASN 49 1HB ASN 49 0.017 -4.792 -10.133 388 HD21 ASN 49 1HD2 ASN 49 1.747 -6.669 -11.119 389 HD22 ASN 49 2HD2 ASN 49 2.415 -6.115 -12.611 390 H ALA 50 H ALA 50 1.440 -3.616 -7.014 391 HA ALA 50 HA ALA 50 -1.244 -3.682 -6.122 392 HB1 ALA 50 1HB ALA 50 1.306 -3.355 -4.502 393 HB2 ALA 50 2HB ALA 50 0.576 -4.883 -4.996 394 HB3 ALA 50 3HB ALA 50 -0.278 -3.836 -3.864 395 H LEU 51 H LEU 51 1.256 -1.119 -5.868 396 HA LEU 51 HA LEU 51 -0.520 0.667 -4.432 397 HB2 LEU 51 2HB LEU 51 2.175 1.327 -5.670 398 HB3 LEU 51 1HB LEU 51 1.317 2.291 -4.492 399 HG LEU 51 HG LEU 51 2.694 -0.382 -4.004 400 HD11 LEU 51 1HD1 LEU 51 3.303 2.340 -2.815 401 HD12 LEU 51 2HD1 LEU 51 4.193 1.592 -4.135 402 HD13 LEU 51 3HD1 LEU 51 4.189 0.841 -2.546 403 HD21 LEU 51 1HD2 LEU 51 2.163 -0.014 -1.573 404 HD22 LEU 51 2HD2 LEU 51 0.792 -0.473 -2.561 405 HD23 LEU 51 3HD2 LEU 51 0.998 1.212 -2.062 406 H ASN 52 H ASN 52 0.294 0.239 -7.826 407 HA ASN 52 HA ASN 52 -0.886 2.686 -8.718 408 HB2 ASN 52 2HB ASN 52 -0.213 0.156 -10.233 409 HB3 ASN 52 1HB ASN 52 -1.066 1.485 -11.001 410 HD21 ASN 52 1HD2 ASN 52 0.419 2.325 -12.371 411 HD22 ASN 52 2HD2 ASN 52 1.992 2.873 -11.916 412 H ILE 53 H ILE 53 -2.043 -0.643 -8.356 413 HA ILE 53 HA ILE 53 -4.727 -0.212 -9.223 414 HB ILE 53 HB ILE 53 -3.507 -2.429 -7.509 415 HG12 ILE 53 2HG1 ILE 53 -4.521 -2.523 -10.396 416 HG13 ILE 53 1HG1 ILE 53 -2.839 -2.318 -9.944 417 HG21 ILE 53 1HG2 ILE 53 -5.615 -3.724 -7.839 418 HG22 ILE 53 2HG2 ILE 53 -6.368 -2.286 -8.533 419 HG23 ILE 53 3HG2 ILE 53 -5.849 -2.278 -6.851 420 HD11 ILE 53 1HD1 ILE 53 -4.528 -4.741 -9.357 421 HD12 ILE 53 2HD1 ILE 53 -2.843 -4.513 -8.876 422 HD13 ILE 53 3HD1 ILE 53 -3.269 -4.591 -10.585 423 H ALA 54 H ALA 54 -3.017 0.207 -6.159 424 HA ALA 54 HA ALA 54 -5.196 0.809 -4.493 425 HB1 ALA 54 1HB ALA 54 -2.911 0.555 -3.623 426 HB2 ALA 54 2HB ALA 54 -3.630 2.083 -3.108 427 HB3 ALA 54 3HB ALA 54 -2.428 2.060 -4.401 428 H GLU 55 H GLU 55 -3.249 3.051 -6.601 429 HA GLU 55 HA GLU 55 -4.712 5.399 -5.976 430 HB2 GLU 55 2HB GLU 55 -3.039 4.741 -8.401 431 HB3 GLU 55 1HB GLU 55 -4.069 6.138 -8.483 432 HG2 GLU 55 2HG GLU 55 -1.676 5.723 -6.704 433 HG3 GLU 55 1HG GLU 55 -1.940 6.930 -7.928 434 H LYS 56 H LYS 56 -5.225 3.188 -8.756 435 HA LYS 56 HA LYS 56 -7.328 4.608 -9.930 436 HB2 LYS 56 2HB LYS 56 -7.774 2.710 -11.316 437 HB3 LYS 56 1HB LYS 56 -6.034 2.823 -11.083 438 HG2 LYS 56 2HG LYS 56 -6.103 0.976 -9.463 439 HG3 LYS 56 1HG LYS 56 -7.855 0.895 -9.603 440 HD2 LYS 56 2HD LYS 56 -5.908 0.406 -11.886 441 HD3 LYS 56 1HD LYS 56 -6.649 -0.861 -10.907 442 HE2 LYS 56 2HE LYS 56 -8.137 1.108 -12.673 443 HE3 LYS 56 1HE LYS 56 -7.827 -0.589 -13.035 444 HZ1 LYS 56 1HZ LYS 56 -10.055 -0.259 -12.187 445 HZ2 LYS 56 2HZ LYS 56 -9.455 0.407 -10.757 446 HZ3 LYS 56 3HZ LYS 56 -9.155 -1.216 -11.126 447 H ALA 57 H ALA 57 -7.314 2.340 -7.278 448 HA ALA 57 HA ALA 57 -10.164 1.892 -7.217 449 HB1 ALA 57 1HB ALA 57 -8.662 0.125 -6.516 450 HB2 ALA 57 2HB ALA 57 -9.650 0.643 -5.140 451 HB3 ALA 57 3HB ALA 57 -7.968 1.155 -5.271 452 H LEU 58 H LEU 58 -7.825 3.972 -5.404 453 HA LEU 58 HA LEU 58 -9.670 4.910 -3.426 454 HB2 LEU 58 2HB LEU 58 -7.419 6.642 -4.534 455 HB3 LEU 58 1HB LEU 58 -8.149 6.749 -2.946 456 HG LEU 58 HG LEU 58 -6.045 4.754 -3.942 457 HD11 LEU 58 1HD1 LEU 58 -5.051 6.854 -3.163 458 HD12 LEU 58 2HD1 LEU 58 -4.578 5.484 -2.176 459 HD13 LEU 58 3HD1 LEU 58 -5.780 6.614 -1.563 460 HD21 LEU 58 1HD2 LEU 58 -7.473 4.450 -1.274 461 HD22 LEU 58 2HD2 LEU 58 -5.975 3.646 -1.719 462 HD23 LEU 58 3HD2 LEU 58 -7.434 3.294 -2.617 463 H ASP 59 H ASP 59 -8.859 5.964 -6.664 464 HA ASP 59 HA ASP 59 -10.337 8.373 -6.771 465 HB2 ASP 59 2HB ASP 59 -8.588 7.810 -8.414 466 HB3 ASP 59 1HB ASP 59 -9.562 6.469 -9.007 467 H ASN 60 H ASN 60 -11.216 5.041 -7.744 468 HA ASN 60 HA ASN 60 -13.963 5.767 -8.332 469 HB2 ASN 60 2HB ASN 60 -12.532 3.073 -8.268 470 HB3 ASN 60 1HB ASN 60 -14.259 3.236 -8.606 471 HD21 ASN 60 1HD2 ASN 60 -14.068 2.431 -10.698 472 HD22 ASN 60 2HD2 ASN 60 -13.275 3.292 -11.971 473 H SER 61 H SER 61 -12.237 5.142 -5.505 474 HA SER 61 HA SER 61 -12.726 4.874 -3.341 475 HB2 SER 61 2HB SER 61 -15.485 5.850 -4.184 476 HB3 SER 61 1HB SER 61 -14.928 5.731 -2.509 477 HG SER 61 HG SER 61 -13.221 7.095 -4.173 478 H GLU 62 H GLU 62 -12.446 2.585 -4.352 479 HA GLU 62 HA GLU 62 -14.752 0.835 -4.017 480 HB2 GLU 62 2HB GLU 62 -11.871 0.282 -4.812 481 HB3 GLU 62 1HB GLU 62 -13.136 -0.938 -4.755 482 HG2 GLU 62 2HG GLU 62 -13.042 1.473 -6.588 483 HG3 GLU 62 1HG GLU 62 -12.822 -0.211 -7.059 484 H TYR 63 H TYR 63 -13.791 2.251 -1.733 485 HA TYR 63 HA TYR 63 -14.341 1.932 0.396 486 HB2 TYR 63 2HB TYR 63 -14.402 -1.013 -0.314 487 HB3 TYR 63 1HB TYR 63 -14.644 -0.450 1.334 488 HD1 TYR 63 HD1 TYR 63 -16.757 0.557 2.011 489 HD2 TYR 63 HD2 TYR 63 -16.074 -0.423 -2.094 490 HE1 TYR 63 HE1 TYR 63 -19.136 0.929 1.521 491 HE2 TYR 63 HE2 TYR 63 -18.456 -0.046 -2.584 492 HH TYR 63 HH TYR 63 -20.626 -0.055 -1.344 493 H LEU 64 H LEU 64 -13.358 1.504 2.439 494 HA LEU 64 HA LEU 64 -10.467 1.891 2.052 495 HB2 LEU 64 2HB LEU 64 -12.313 2.815 4.216 496 HB3 LEU 64 1HB LEU 64 -10.764 2.283 4.794 497 HG LEU 64 HG LEU 64 -10.903 4.713 4.591 498 HD11 LEU 64 1HD1 LEU 64 -8.732 3.410 4.230 499 HD12 LEU 64 2HD1 LEU 64 -8.781 5.108 3.825 500 HD13 LEU 64 3HD1 LEU 64 -8.850 3.915 2.540 501 HD21 LEU 64 1HD2 LEU 64 -12.426 5.038 2.703 502 HD22 LEU 64 2HD2 LEU 64 -11.197 4.467 1.574 503 HD23 LEU 64 3HD2 LEU 64 -10.940 5.936 2.487 504 HA PRO 65 HA PRO 65 -10.497 -1.978 5.125 505 HB2 PRO 65 2HB PRO 65 -12.869 -3.440 4.915 506 HB3 PRO 65 1HB PRO 65 -12.463 -2.350 6.247 507 HG2 PRO 65 2HG PRO 65 -14.150 -1.796 3.835 508 HG3 PRO 65 1HG PRO 65 -14.450 -1.380 5.539 509 HD2 PRO 65 2HD PRO 65 -13.540 0.460 3.854 510 HD3 PRO 65 1HD PRO 65 -12.905 0.379 5.515 511 H LYS 66 H LYS 66 -12.155 -1.732 1.989 512 HA LYS 66 HA LYS 66 -11.582 -4.424 1.182 513 HB2 LYS 66 2HB LYS 66 -13.520 -3.372 0.205 514 HB3 LYS 66 1HB LYS 66 -12.567 -2.028 -0.407 515 HG2 LYS 66 2HG LYS 66 -13.168 -3.561 -2.219 516 HG3 LYS 66 1HG LYS 66 -11.419 -3.537 -1.983 517 HD2 LYS 66 2HD LYS 66 -11.693 -5.660 -0.593 518 HD3 LYS 66 1HD LYS 66 -13.374 -5.706 -1.128 519 HE2 LYS 66 2HE LYS 66 -12.620 -5.860 -3.475 520 HE3 LYS 66 1HE LYS 66 -10.937 -5.790 -2.942 521 HZ1 LYS 66 1HZ LYS 66 -12.892 -7.937 -2.285 522 HZ2 LYS 66 2HZ LYS 66 -11.310 -7.862 -1.704 523 HZ3 LYS 66 3HZ LYS 66 -11.593 -8.063 -3.356 524 H ILE 67 H ILE 67 -10.143 -1.220 0.554 525 HA ILE 67 HA ILE 67 -8.090 -2.254 -1.192 526 HB ILE 67 HB ILE 67 -8.422 0.513 0.060 527 HG12 ILE 67 2HG1 ILE 67 -9.126 -0.553 -2.698 528 HG13 ILE 67 1HG1 ILE 67 -10.278 -0.214 -1.428 529 HG21 ILE 67 1HG2 ILE 67 -6.065 0.152 -0.590 530 HG22 ILE 67 2HG2 ILE 67 -6.836 1.316 -1.667 531 HG23 ILE 67 3HG2 ILE 67 -6.575 -0.342 -2.206 532 HD11 ILE 67 1HD1 ILE 67 -8.570 1.861 -2.783 533 HD12 ILE 67 2HD1 ILE 67 -9.827 2.131 -1.576 534 HD13 ILE 67 3HD1 ILE 67 -10.253 1.491 -3.156 535 H ILE 68 H ILE 68 -8.411 -1.636 2.239 536 HA ILE 68 HA ILE 68 -5.624 -1.827 2.885 537 HB ILE 68 HB ILE 68 -8.128 -2.060 4.598 538 HG12 ILE 68 2HG1 ILE 68 -5.888 0.024 4.611 539 HG13 ILE 68 1HG1 ILE 68 -7.411 0.216 3.757 540 HG21 ILE 68 1HG2 ILE 68 -5.259 -2.380 5.525 541 HG22 ILE 68 2HG2 ILE 68 -6.545 -3.579 5.624 542 HG23 ILE 68 3HG2 ILE 68 -6.630 -2.116 6.604 543 HD11 ILE 68 1HD1 ILE 68 -6.984 0.088 6.721 544 HD12 ILE 68 2HD1 ILE 68 -8.574 0.022 5.960 545 HD13 ILE 68 3HD1 ILE 68 -7.556 1.445 5.755 546 H LEU 69 H LEU 69 -8.367 -4.095 2.743 547 HA LEU 69 HA LEU 69 -6.951 -6.428 3.583 548 HB2 LEU 69 2HB LEU 69 -9.573 -6.012 2.163 549 HB3 LEU 69 1HB LEU 69 -8.887 -7.621 2.149 550 HG LEU 69 HG LEU 69 -9.922 -6.039 4.570 551 HD11 LEU 69 1HD1 LEU 69 -10.737 -8.831 3.668 552 HD12 LEU 69 2HD1 LEU 69 -11.658 -7.346 3.385 553 HD13 LEU 69 3HD1 LEU 69 -11.385 -7.911 5.023 554 HD21 LEU 69 1HD2 LEU 69 -8.213 -8.548 4.732 555 HD22 LEU 69 2HD2 LEU 69 -9.180 -7.893 6.049 556 HD23 LEU 69 3HD2 LEU 69 -7.857 -6.948 5.396 557 H ASN 70 H ASN 70 -7.729 -5.068 0.416 558 HA ASN 70 HA ASN 70 -6.694 -7.225 -1.121 559 HB2 ASN 70 2HB ASN 70 -8.453 -5.770 -1.997 560 HB3 ASN 70 1HB ASN 70 -7.411 -4.360 -1.910 561 HD21 ASN 70 1HD2 ASN 70 -5.999 -3.976 -3.574 562 HD22 ASN 70 2HD2 ASN 70 -5.938 -4.921 -5.016 563 H LEU 71 H LEU 71 -5.283 -4.155 0.016 564 HA LEU 71 HA LEU 71 -2.814 -4.496 -1.384 565 HB2 LEU 71 2HB LEU 71 -3.603 -2.264 -0.579 566 HB3 LEU 71 1HB LEU 71 -3.428 -2.818 1.070 567 HG LEU 71 HG LEU 71 -0.913 -3.065 0.607 568 HD11 LEU 71 1HD1 LEU 71 -0.750 -3.073 -1.771 569 HD12 LEU 71 2HD1 LEU 71 -0.003 -1.592 -1.213 570 HD13 LEU 71 3HD1 LEU 71 -1.621 -1.545 -1.913 571 HD21 LEU 71 1HD2 LEU 71 -2.090 -0.268 0.511 572 HD22 LEU 71 2HD2 LEU 71 -0.440 -0.683 0.989 573 HD23 LEU 71 3HD2 LEU 71 -1.802 -1.234 1.961 574 H ARG 72 H ARG 72 -4.082 -5.386 1.783 575 HA ARG 72 HA ARG 72 -1.617 -6.441 2.842 576 HB2 ARG 72 2HB ARG 72 -3.534 -5.688 4.303 577 HB3 ARG 72 1HB ARG 72 -4.472 -7.081 3.786 578 HG2 ARG 72 2HG ARG 72 -2.660 -8.549 4.745 579 HG3 ARG 72 1HG ARG 72 -1.912 -7.088 5.398 580 HD2 ARG 72 2HD ARG 72 -3.218 -8.068 7.145 581 HD3 ARG 72 1HD ARG 72 -4.092 -6.628 6.611 582 HE ARG 72 HE ARG 72 -5.170 -8.654 5.152 583 HH11 ARG 72 1HH1 ARG 72 -4.800 -8.073 8.607 584 HH12 ARG 72 2HH1 ARG 72 -6.203 -9.001 9.024 585 HH21 ARG 72 1HH2 ARG 72 -6.938 -9.936 5.729 586 HH22 ARG 72 2HH2 ARG 72 -7.410 -10.057 7.396 587 H LYS 73 H LYS 73 -4.080 -7.686 0.684 588 HA LYS 73 HA LYS 73 -3.145 -10.452 0.847 589 HB2 LYS 73 2HB LYS 73 -5.223 -9.085 -0.930 590 HB3 LYS 73 1HB LYS 73 -4.818 -10.798 -1.034 591 HG2 LYS 73 2HG LYS 73 -5.611 -11.198 1.213 592 HG3 LYS 73 1HG LYS 73 -5.857 -9.472 1.481 593 HD2 LYS 73 2HD LYS 73 -7.618 -9.494 -0.310 594 HD3 LYS 73 1HD LYS 73 -7.413 -11.245 -0.441 595 HE2 LYS 73 2HE LYS 73 -8.328 -9.715 2.018 596 HE3 LYS 73 1HE LYS 73 -9.334 -10.726 0.981 597 HZ1 LYS 73 1HZ LYS 73 -7.945 -12.640 1.639 598 HZ2 LYS 73 2HZ LYS 73 -8.732 -11.926 2.951 599 HZ3 LYS 73 3HZ LYS 73 -7.090 -11.639 2.700 600 H ALA 74 H ALA 74 -2.548 -7.550 -0.907 601 HA ALA 74 HA ALA 74 -0.986 -8.805 -3.012 602 HB1 ALA 74 1HB ALA 74 -0.533 -6.463 -3.707 603 HB2 ALA 74 2HB ALA 74 -1.415 -5.889 -2.291 604 HB3 ALA 74 3HB ALA 74 -2.257 -6.801 -3.534 605 H LEU 75 H LEU 75 -0.337 -7.600 0.261 606 HA LEU 75 HA LEU 75 2.565 -7.673 -0.339 607 HB2 LEU 75 2HB LEU 75 1.367 -6.263 2.072 608 HB3 LEU 75 1HB LEU 75 3.016 -6.164 1.498 609 HG LEU 75 HG LEU 75 0.559 -4.866 0.297 610 HD11 LEU 75 1HD1 LEU 75 3.057 -3.647 1.475 611 HD12 LEU 75 2HD1 LEU 75 1.431 -3.642 2.160 612 HD13 LEU 75 3HD1 LEU 75 1.758 -2.753 0.682 613 HD21 LEU 75 1HD2 LEU 75 2.050 -3.852 -1.433 614 HD22 LEU 75 2HD2 LEU 75 1.784 -5.575 -1.645 615 HD23 LEU 75 3HD2 LEU 75 3.308 -4.991 -0.959 616 H THR 76 H THR 76 0.176 -9.011 1.988 617 HA THR 76 HA THR 76 2.118 -9.980 3.801 618 HB THR 76 HB THR 76 -0.773 -10.845 3.442 619 HG1 THR 76 HG1 THR 76 0.628 -9.172 5.206 620 HG21 THR 76 1HG2 THR 76 -0.601 -12.021 5.615 621 HG22 THR 76 2HG2 THR 76 1.148 -11.772 5.610 622 HG23 THR 76 3HG2 THR 76 0.400 -12.791 4.384 623 HA PRO 77 HA PRO 77 1.949 -14.333 1.522 624 HB2 PRO 77 2HB PRO 77 1.271 -13.553 -1.300 625 HB3 PRO 77 1HB PRO 77 0.786 -14.985 -0.373 626 HG2 PRO 77 2HG PRO 77 -0.976 -13.072 -0.823 627 HG3 PRO 77 1HG PRO 77 -0.896 -13.850 0.777 628 HD2 PRO 77 2HD PRO 77 0.253 -11.178 -0.072 629 HD3 PRO 77 1HD PRO 77 -0.695 -11.595 1.365 630 H LEU 78 H LEU 78 2.900 -11.417 -0.285 631 HA LEU 78 HA LEU 78 5.312 -12.509 -1.379 632 HB2 LEU 78 2HB LEU 78 4.829 -9.542 -0.881 633 HB3 LEU 78 1HB LEU 78 5.991 -10.244 -1.987 634 HG LEU 78 HG LEU 78 2.954 -10.154 -2.327 635 HD11 LEU 78 1HD1 LEU 78 5.127 -8.880 -4.018 636 HD12 LEU 78 2HD1 LEU 78 4.026 -8.046 -2.916 637 HD13 LEU 78 3HD1 LEU 78 3.396 -8.840 -4.348 638 HD21 LEU 78 1HD2 LEU 78 3.252 -11.219 -4.549 639 HD22 LEU 78 2HD2 LEU 78 3.623 -12.307 -3.226 640 HD23 LEU 78 3HD2 LEU 78 4.932 -11.571 -4.152 641 H ALA 79 H ALA 79 4.510 -10.929 1.630 642 HA ALA 79 HA ALA 79 7.169 -10.557 2.617 643 HB1 ALA 79 1HB ALA 79 6.079 -10.159 4.784 644 HB2 ALA 79 2HB ALA 79 4.549 -10.754 4.130 645 HB3 ALA 79 3HB ALA 79 5.266 -9.273 3.493 646 H ILE 80 H ILE 80 4.711 -13.094 3.034 647 HA ILE 80 HA ILE 80 6.090 -14.702 4.919 648 HB ILE 80 HB ILE 80 3.881 -15.491 2.949 649 HG12 ILE 80 2HG1 ILE 80 3.680 -14.655 5.895 650 HG13 ILE 80 1HG1 ILE 80 3.169 -13.700 4.513 651 HG21 ILE 80 1HG2 ILE 80 3.455 -17.447 4.411 652 HG22 ILE 80 2HG2 ILE 80 4.848 -17.010 5.400 653 HG23 ILE 80 3HG2 ILE 80 5.083 -17.491 3.722 654 HD11 ILE 80 1HD1 ILE 80 1.458 -15.385 3.994 655 HD12 ILE 80 2HD1 ILE 80 1.265 -14.685 5.600 656 HD13 ILE 80 3HD1 ILE 80 1.946 -16.302 5.422 657 H ASN 81 H ASN 81 5.887 -14.791 1.382 658 HA ASN 81 HA ASN 81 7.745 -16.991 1.104 659 HB2 ASN 81 2HB ASN 81 6.443 -15.115 -0.896 660 HB3 ASN 81 1HB ASN 81 7.628 -16.334 -1.375 661 HD21 ASN 81 1HD2 ASN 81 4.642 -15.955 -1.821 662 HD22 ASN 81 2HD2 ASN 81 3.962 -17.499 -1.442 663 H ARG 82 H ARG 82 8.128 -13.614 1.694 664 HA ARG 82 HA ARG 82 10.026 -12.490 2.290 665 HB2 ARG 82 2HB ARG 82 11.639 -15.030 1.714 666 HB3 ARG 82 1HB ARG 82 12.160 -13.689 2.700 667 HG2 ARG 82 2HG ARG 82 9.790 -15.225 3.696 668 HG3 ARG 82 1HG ARG 82 11.322 -16.071 3.685 669 HD2 ARG 82 2HD ARG 82 12.178 -13.954 5.053 670 HD3 ARG 82 1HD ARG 82 10.458 -13.731 5.413 671 HE ARG 82 HE ARG 82 10.830 -16.329 5.973 672 HH11 ARG 82 1HH1 ARG 82 12.527 -13.427 7.073 673 HH12 ARG 82 2HH1 ARG 82 12.969 -14.146 8.589 674 HH21 ARG 82 1HH2 ARG 82 11.518 -17.255 7.912 675 HH22 ARG 82 2HH2 ARG 82 12.405 -16.293 9.057 676 H THR 83 H THR 83 9.157 -12.212 -0.373 677 HA THR 83 HA THR 83 11.717 -11.607 -1.744 678 HB THR 83 HB THR 83 10.617 -13.601 -2.805 679 HG1 THR 83 HG1 THR 83 11.401 -11.328 -4.098 680 HG21 THR 83 1HG2 THR 83 8.428 -11.652 -3.579 681 HG22 THR 83 2HG2 THR 83 8.267 -13.002 -2.457 682 HG23 THR 83 3HG2 THR 83 8.594 -13.314 -4.158 683 H LEU 84 H LEU 84 9.452 -10.139 -0.128 684 HA LEU 84 HA LEU 84 8.735 -7.982 -1.943 685 HB2 LEU 84 2HB LEU 84 7.281 -8.753 -0.014 686 HB3 LEU 84 1HB LEU 84 8.502 -8.166 1.094 687 HG LEU 84 HG LEU 84 8.041 -5.817 0.022 688 HD11 LEU 84 1HD1 LEU 84 5.627 -5.577 -0.706 689 HD12 LEU 84 2HD1 LEU 84 5.614 -7.325 -0.932 690 HD13 LEU 84 3HD1 LEU 84 6.708 -6.322 -1.874 691 HD21 LEU 84 1HD2 LEU 84 6.204 -5.389 1.607 692 HD22 LEU 84 2HD2 LEU 84 7.477 -6.366 2.335 693 HD23 LEU 84 3HD2 LEU 84 5.974 -7.128 1.812 694 H ASN 85 H ASN 85 9.431 -5.736 -1.506 695 HA ASN 85 HA ASN 85 12.308 -5.560 -1.275 696 HB2 ASN 85 2HB ASN 85 11.122 -4.094 -2.896 697 HB3 ASN 85 1HB ASN 85 10.301 -3.249 -1.580 698 HD21 ASN 85 1HD2 ASN 85 11.206 -1.284 -2.315 699 HD22 ASN 85 2HD2 ASN 85 12.869 -0.884 -2.081 700 H HIS 86 H HIS 86 9.573 -4.752 0.799 701 HA HIS 86 HA HIS 86 9.371 -4.513 3.041 702 HB2 HIS 86 2HB HIS 86 10.892 -6.379 3.333 703 HB3 HIS 86 1HB HIS 86 12.294 -5.370 3.016 704 HD1 HIS 86 HD1 HIS 86 9.676 -5.980 5.711 705 HD2 HIS 86 HD2 HIS 86 13.439 -4.265 5.260 706 HE1 HIS 86 HE1 HIS 86 10.479 -5.476 8.034 707 HE2 HIS 86 HE2 HIS 86 12.830 -4.643 7.741 708 H ASP 87 H ASP 87 10.959 -2.388 1.155 709 HA ASP 87 HA ASP 87 12.099 -0.639 3.160 710 HB2 ASP 87 2HB ASP 87 13.236 -0.875 0.993 711 HB3 ASP 87 1HB ASP 87 11.830 -0.273 0.131 712 H LEU 88 H LEU 88 8.911 -1.129 2.221 713 HA LEU 88 HA LEU 88 8.183 1.410 3.554 714 HB2 LEU 88 2HB LEU 88 5.920 1.275 2.428 715 HB3 LEU 88 1HB LEU 88 7.255 1.802 1.434 716 HG LEU 88 HG LEU 88 6.515 -1.122 1.254 717 HD11 LEU 88 1HD1 LEU 88 4.312 -0.026 1.204 718 HD12 LEU 88 2HD1 LEU 88 4.740 -0.685 -0.373 719 HD13 LEU 88 3HD1 LEU 88 4.866 1.051 -0.078 720 HD21 LEU 88 1HD2 LEU 88 8.399 -0.201 -0.030 721 HD22 LEU 88 2HD2 LEU 88 7.319 0.955 -0.801 722 HD23 LEU 88 3HD2 LEU 88 7.115 -0.769 -1.088 723 H SER 89 H SER 89 8.961 -0.877 4.804 724 HA SER 89 HA SER 89 6.969 -2.658 5.614 725 HB2 SER 89 2HB SER 89 9.361 -3.048 5.969 726 HB3 SER 89 1HB SER 89 9.429 -1.731 7.137 727 HG SER 89 HG SER 89 7.489 -3.525 7.790 728 H GLU 90 H GLU 90 7.677 0.589 6.673 729 HA GLU 90 HA GLU 90 6.274 0.648 9.144 730 HB2 GLU 90 2HB GLU 90 7.097 2.835 7.180 731 HB3 GLU 90 1HB GLU 90 6.269 3.216 8.681 732 HG2 GLU 90 2HG GLU 90 8.147 2.503 10.014 733 HG3 GLU 90 1HG GLU 90 8.932 1.732 8.640 734 H LEU 91 H LEU 91 5.255 1.099 5.773 735 HA LEU 91 HA LEU 91 2.619 2.079 6.290 736 HB2 LEU 91 2HB LEU 91 3.789 2.356 4.121 737 HB3 LEU 91 1HB LEU 91 3.746 0.625 3.859 738 HG LEU 91 HG LEU 91 1.222 0.757 3.791 739 HD11 LEU 91 1HD1 LEU 91 0.143 2.928 3.496 740 HD12 LEU 91 2HD1 LEU 91 1.672 3.751 3.818 741 HD13 LEU 91 3HD1 LEU 91 0.895 2.795 5.083 742 HD21 LEU 91 1HD2 LEU 91 2.660 2.459 1.727 743 HD22 LEU 91 2HD2 LEU 91 1.096 1.660 1.520 744 HD23 LEU 91 3HD2 LEU 91 2.555 0.697 1.724 745 H TYR 92 H TYR 92 3.973 -1.160 5.686 746 HA TYR 92 HA TYR 92 1.574 -2.618 5.668 747 HB2 TYR 92 2HB TYR 92 3.593 -3.624 4.775 748 HB3 TYR 92 1HB TYR 92 4.381 -3.542 6.344 749 HD1 TYR 92 HD1 TYR 92 4.653 -5.678 7.278 750 HD2 TYR 92 HD2 TYR 92 1.045 -4.839 5.151 751 HE1 TYR 92 HE1 TYR 92 3.802 -7.910 7.834 752 HE2 TYR 92 HE2 TYR 92 0.197 -7.061 5.689 753 HH TYR 92 HH TYR 92 1.681 -9.102 8.006 754 H LYS 93 H LYS 93 3.805 -1.741 8.259 755 HA LYS 93 HA LYS 93 2.573 -3.096 10.422 756 HB2 LYS 93 2HB LYS 93 4.934 -2.146 10.306 757 HB3 LYS 93 1HB LYS 93 4.261 -0.542 10.495 758 HG2 LYS 93 2HG LYS 93 3.985 -2.752 12.565 759 HG3 LYS 93 1HG LYS 93 5.283 -1.568 12.572 760 HD2 LYS 93 2HD LYS 93 2.323 -1.069 13.012 761 HD3 LYS 93 1HD LYS 93 3.626 -0.898 14.186 762 HE2 LYS 93 2HE LYS 93 3.252 0.823 11.712 763 HE3 LYS 93 1HE LYS 93 2.840 1.285 13.361 764 HZ1 LYS 93 1HZ LYS 93 4.988 2.162 12.590 765 HZ2 LYS 93 2HZ LYS 93 5.576 0.585 12.478 766 HZ3 LYS 93 3HZ LYS 93 5.122 1.210 13.978 767 H PHE 94 H PHE 94 2.161 0.107 8.969 768 HA PHE 94 HA PHE 94 0.621 1.375 10.929 769 HB2 PHE 94 2HB PHE 94 1.684 2.668 9.181 770 HB3 PHE 94 1HB PHE 94 0.823 1.801 7.923 771 HD1 PHE 94 HD1 PHE 94 0.209 4.101 10.834 772 HD2 PHE 94 HD2 PHE 94 -1.114 2.774 6.986 773 HE1 PHE 94 HE1 PHE 94 -1.501 5.864 10.802 774 HE2 PHE 94 HE2 PHE 94 -2.823 4.542 6.974 775 HZ PHE 94 HZ PHE 94 -3.020 6.088 8.881 776 H ILE 95 H ILE 95 -0.433 -0.478 8.028 777 HA ILE 95 HA ILE 95 -3.236 -0.082 8.635 778 HB ILE 95 HB ILE 95 -3.814 -1.274 6.687 779 HG12 ILE 95 2HG1 ILE 95 -1.133 -2.685 6.835 780 HG13 ILE 95 1HG1 ILE 95 -2.741 -3.375 6.816 781 HG21 ILE 95 1HG2 ILE 95 -2.763 0.865 6.235 782 HG22 ILE 95 2HG2 ILE 95 -2.478 -0.250 4.901 783 HG23 ILE 95 3HG2 ILE 95 -1.186 0.099 6.056 784 HD11 ILE 95 1HD1 ILE 95 -1.372 -2.092 4.450 785 HD12 ILE 95 2HD1 ILE 95 -2.992 -2.796 4.464 786 HD13 ILE 95 3HD1 ILE 95 -1.586 -3.821 4.742 787 H THR 96 H THR 96 -0.981 -2.056 10.113 788 HA THR 96 HA THR 96 -3.067 -3.930 11.104 789 HB THR 96 HB THR 96 -1.110 -5.409 11.821 790 HG1 THR 96 HG1 THR 96 0.387 -3.860 9.964 791 HG21 THR 96 1HG2 THR 96 -2.433 -5.928 9.775 792 HG22 THR 96 2HG2 THR 96 -0.754 -6.462 9.679 793 HG23 THR 96 3HG2 THR 96 -1.264 -5.010 8.832 794 H SER 97 H SER 97 -1.768 -1.109 11.963 795 HA SER 97 HA SER 97 -0.213 -1.365 14.217 796 HB2 SER 97 2HB SER 97 -0.490 0.770 13.096 797 HB3 SER 97 1HB SER 97 -2.194 0.844 13.554 798 HG SER 97 HG SER 97 -1.601 1.120 15.680 799 H SER 98 H SER 98 -3.781 -1.011 14.183 800 HA SER 98 HA SER 98 -4.352 -2.975 16.062 801 HB2 SER 98 2HB SER 98 -3.278 -1.420 17.752 802 HB3 SER 98 1HB SER 98 -4.508 -0.211 17.381 803 HG SER 98 HG SER 98 -4.769 -1.865 19.240 804 H LYS 99 H LYS 99 -5.285 0.273 14.986 805 HA LYS 99 HA LYS 99 -8.064 0.107 15.501 806 HB2 LYS 99 2HB LYS 99 -6.663 2.209 15.265 807 HB3 LYS 99 1HB LYS 99 -6.645 1.944 13.525 808 HG2 LYS 99 2HG LYS 99 -9.072 2.240 13.422 809 HG3 LYS 99 1HG LYS 99 -9.151 2.379 15.183 810 HD2 LYS 99 2HD LYS 99 -7.721 4.422 15.060 811 HD3 LYS 99 1HD LYS 99 -7.729 4.305 13.299 812 HE2 LYS 99 2HE LYS 99 -10.162 4.736 15.062 813 HE3 LYS 99 1HE LYS 99 -9.339 5.975 14.117 814 HZ1 LYS 99 1HZ LYS 99 -10.684 3.586 12.999 815 HZ2 LYS 99 2HZ LYS 99 -9.938 4.803 12.105 816 HZ3 LYS 99 3HZ LYS 99 -11.321 5.149 13.013 817 H ALA 100 H ALA 100 -6.227 -0.148 12.455 818 HA ALA 100 HA ALA 100 -8.547 -1.216 11.012 819 HB1 ALA 100 1HB ALA 100 -7.146 0.538 9.950 820 HB2 ALA 100 2HB ALA 100 -7.195 -0.953 9.018 821 HB3 ALA 100 3HB ALA 100 -5.765 -0.566 9.978 822 H SER 101 H SER 101 -7.180 -2.755 13.158 823 HA SER 101 HA SER 101 -6.586 -5.203 11.608 824 HB2 SER 101 2HB SER 101 -4.498 -4.176 12.631 825 HB3 SER 101 1HB SER 101 -5.216 -4.396 14.223 826 HG SER 101 HG SER 101 -5.408 -6.741 13.265 827 H ASN 102 H ASN 102 -9.059 -4.039 12.907 828 HA ASN 102 HA ASN 102 -9.602 -5.950 15.079 829 HB2 ASN 102 2HB ASN 102 -11.323 -3.684 13.987 830 HB3 ASN 102 1HB ASN 102 -11.784 -4.737 15.319 831 HD21 ASN 102 1HD2 ASN 102 -11.395 -1.810 15.261 832 HD22 ASN 102 2HD2 ASN 102 -10.200 -1.471 16.461 833 H LYS 103 H LYS 103 -11.710 -4.877 12.334 834 HA LYS 103 HA LYS 103 -11.901 -7.436 11.091 835 HB2 LYS 103 2HB LYS 103 -13.125 -7.895 13.250 836 HB3 LYS 103 1HB LYS 103 -14.308 -6.675 12.806 837 HG2 LYS 103 2HG LYS 103 -15.007 -8.004 10.877 838 HG3 LYS 103 1HG LYS 103 -13.754 -9.201 11.212 839 HD2 LYS 103 2HD LYS 103 -16.130 -8.546 12.999 840 HD3 LYS 103 1HD LYS 103 -15.946 -9.991 12.004 841 HE2 LYS 103 2HE LYS 103 -14.000 -10.681 13.347 842 HE3 LYS 103 1HE LYS 103 -14.152 -9.225 14.334 843 HZ1 LYS 103 1HZ LYS 103 -16.354 -10.005 15.035 844 HZ2 LYS 103 2HZ LYS 103 -15.137 -11.099 15.447 845 HZ3 LYS 103 3HZ LYS 103 -16.147 -11.422 14.130 846 H ASN 104 H ASN 104 -13.876 -4.516 11.820 847 HA ASN 104 HA ASN 104 -15.283 -4.396 9.356 848 HB2 ASN 104 2HB ASN 104 -14.712 -2.197 11.397 849 HB3 ASN 104 1HB ASN 104 -15.775 -1.976 10.011 850 HD21 ASN 104 1HD2 ASN 104 -16.399 -1.759 12.844 851 HD22 ASN 104 2HD2 ASN 104 -17.666 -2.894 13.143 852 H LEU 105 H LEU 105 -12.278 -2.901 10.434 853 HA LEU 105 HA LEU 105 -11.566 -2.215 7.635 854 HB2 LEU 105 2HB LEU 105 -10.574 -0.827 10.185 855 HB3 LEU 105 1HB LEU 105 -10.013 -0.497 8.559 856 HG LEU 105 HG LEU 105 -12.454 0.228 8.043 857 HD11 LEU 105 1HD1 LEU 105 -13.767 1.074 9.934 858 HD12 LEU 105 2HD1 LEU 105 -12.600 0.383 11.064 859 HD13 LEU 105 3HD1 LEU 105 -13.554 -0.674 10.024 860 HD21 LEU 105 1HD2 LEU 105 -10.780 1.936 9.901 861 HD22 LEU 105 2HD2 LEU 105 -12.056 2.517 8.830 862 HD23 LEU 105 3HD2 LEU 105 -10.594 1.810 8.150 863 H GLY 106 H GLY 106 -9.805 -3.254 6.894 864 HA2 GLY 106 2HA GLY 106 -8.134 -4.811 6.736 865 HA3 GLY 106 1HA GLY 106 -7.583 -4.218 8.297 866 H GLY 107 H GLY 107 -7.546 -5.746 9.888 867 HA2 GLY 107 2HA GLY 107 -9.569 -7.092 10.984 868 HA3 GLY 107 1HA GLY 107 -9.177 -8.178 9.658 869 H GLY 108 H GLY 108 -9.091 -8.796 12.425 870 HA2 GLY 108 2HA GLY 108 -6.392 -8.832 13.409 871 HA3 GLY 108 1HA GLY 108 -7.758 -9.729 14.059 872 H LEU 109 H LEU 109 -8.445 -11.068 11.619 873 HA LEU 109 HA LEU 109 -6.568 -13.256 11.594 874 HB2 LEU 109 2HB LEU 109 -8.877 -12.693 9.686 875 HB3 LEU 109 1HB LEU 109 -8.061 -14.236 9.891 876 HG LEU 109 HG LEU 109 -9.825 -12.844 11.944 877 HD11 LEU 109 1HD1 LEU 109 -11.122 -13.827 10.131 878 HD12 LEU 109 2HD1 LEU 109 -11.359 -14.725 11.626 879 HD13 LEU 109 3HD1 LEU 109 -10.317 -15.382 10.361 880 HD21 LEU 109 1HD2 LEU 109 -8.366 -15.486 12.192 881 HD22 LEU 109 2HD2 LEU 109 -9.573 -14.868 13.323 882 HD23 LEU 109 3HD2 LEU 109 -8.051 -14.010 13.111 883 H ILE 110 H ILE 110 -4.749 -13.355 10.364 884 HA ILE 110 HA ILE 110 -4.129 -11.272 8.398 885 HB ILE 110 HB ILE 110 -1.824 -12.185 8.459 886 HG12 ILE 110 2HG1 ILE 110 -2.968 -14.405 10.231 887 HG13 ILE 110 1HG1 ILE 110 -2.341 -14.604 8.604 888 HG21 ILE 110 1HG2 ILE 110 -2.980 -11.913 11.266 889 HG22 ILE 110 2HG2 ILE 110 -2.303 -10.618 10.277 890 HG23 ILE 110 3HG2 ILE 110 -1.258 -11.892 10.889 891 HD11 ILE 110 1HD1 ILE 110 -0.693 -13.846 11.031 892 HD12 ILE 110 2HD1 ILE 110 -0.075 -14.116 9.398 893 HD13 ILE 110 3HD1 ILE 110 -0.797 -15.446 10.295 894 H MET 111 H MET 111 -6.110 -13.463 7.791 895 HA MET 111 HA MET 111 -5.057 -15.460 6.153 896 HB2 MET 111 2HB MET 111 -7.451 -15.751 5.362 897 HB3 MET 111 1HB MET 111 -7.220 -15.807 7.099 898 HG2 MET 111 2HG MET 111 -7.993 -13.452 7.249 899 HG3 MET 111 1HG MET 111 -8.319 -13.486 5.515 900 HE1 MET 111 1HE MET 111 -9.531 -16.477 5.122 901 HE2 MET 111 2HE MET 111 -10.226 -15.022 4.403 902 HE3 MET 111 3HE MET 111 -11.246 -16.123 5.323 903 H SER 112 H SER 112 -3.711 -14.859 4.608 904 HA SER 112 HA SER 112 -4.787 -13.494 2.210 905 HB2 SER 112 2HB SER 112 -1.933 -13.146 3.244 906 HB3 SER 112 1HB SER 112 -2.685 -12.314 1.884 907 HG SER 112 HG SER 112 -3.148 -11.987 4.645 908 H TRP 113 H TRP 113 -4.938 -15.177 0.829 909 HA TRP 113 HA TRP 113 -3.640 -17.658 1.183 910 HB2 TRP 113 2HB TRP 113 -5.067 -16.741 -1.350 911 HB3 TRP 113 1HB TRP 113 -4.785 -18.399 -0.833 912 HD1 TRP 113 HD1 TRP 113 -7.563 -16.198 -1.130 913 HE1 TRP 113 HE1 TRP 113 -9.432 -16.682 0.561 914 HE3 TRP 113 HE3 TRP 113 -4.950 -19.111 2.232 915 HZ2 TRP 113 HZ2 TRP 113 -9.776 -18.072 2.969 916 HZ3 TRP 113 HZ3 TRP 113 -6.149 -19.964 4.210 917 HH2 TRP 113 HH2 TRP 113 -8.514 -19.451 4.567 918 H GLY 114 H GLY 114 -1.473 -17.643 1.048 919 HA2 GLY 114 2HA GLY 114 -0.261 -17.313 -1.653 920 HA3 GLY 114 1HA GLY 114 0.573 -16.772 -0.192 921 H ARG 115 H ARG 115 0.994 -18.376 1.489 922 HA ARG 115 HA ARG 115 1.366 -21.111 0.542 923 HB2 ARG 115 2HB ARG 115 2.013 -19.840 3.246 924 HB3 ARG 115 1HB ARG 115 2.398 -21.494 2.783 925 HG2 ARG 115 2HG ARG 115 3.840 -20.557 0.934 926 HG3 ARG 115 1HG ARG 115 3.550 -18.953 1.605 927 HD2 ARG 115 2HD ARG 115 4.570 -19.694 3.756 928 HD3 ARG 115 1HD ARG 115 4.911 -21.270 3.028 929 HE ARG 115 HE ARG 115 6.024 -19.316 1.394 930 HH11 ARG 115 1HH1 ARG 115 6.560 -20.646 4.607 931 HH12 ARG 115 2HH1 ARG 115 8.253 -20.254 4.605 932 HH21 ARG 115 1HH2 ARG 115 8.200 -18.752 1.408 933 HH22 ARG 115 2HH2 ARG 115 9.187 -19.170 2.777 934 H LEU 116 H LEU 116 -0.728 -21.832 0.289 935 HA LEU 116 HA LEU 116 -2.645 -21.581 2.492 936 HB2 LEU 116 2HB LEU 116 -4.354 -22.334 0.887 937 HB3 LEU 116 1HB LEU 116 -3.534 -20.886 0.353 938 HG LEU 116 HG LEU 116 -2.768 -23.612 -0.760 939 HD11 LEU 116 1HD1 LEU 116 -4.950 -21.810 -1.855 940 HD12 LEU 116 2HD1 LEU 116 -5.179 -23.391 -1.103 941 HD13 LEU 116 3HD1 LEU 116 -4.314 -23.266 -2.631 942 HD21 LEU 116 1HD2 LEU 116 -1.996 -22.341 -2.703 943 HD22 LEU 116 2HD2 LEU 116 -1.211 -21.760 -1.238 944 HD23 LEU 116 3HD2 LEU 116 -2.526 -20.830 -1.957 945 H PHE 117 H PHE 117 -2.144 -23.099 3.993 946 HA PHE 117 HA PHE 117 -2.645 -25.891 3.288 947 HB2 PHE 117 2HB PHE 117 -0.632 -26.741 4.484 948 HB3 PHE 117 1HB PHE 117 -0.216 -25.799 3.066 949 HD1 PHE 117 HD1 PHE 117 0.743 -23.461 3.359 950 HD2 PHE 117 HD2 PHE 117 0.177 -26.117 6.667 951 HE1 PHE 117 HE1 PHE 117 2.298 -22.116 4.721 952 HE2 PHE 117 HE2 PHE 117 1.724 -24.761 8.016 953 HZ PHE 117 HZ PHE 117 2.784 -22.767 7.043 Start of MODEL 12 1 H1 MET 1 1H MET 1 -22.676 5.396 1.137 2 H2 MET 1 2H MET 1 -21.381 4.668 1.935 3 H3 MET 1 3H MET 1 -21.268 5.010 0.286 4 HA MET 1 HA MET 1 -20.006 6.582 1.556 5 HB2 MET 1 2HB MET 1 -22.547 7.771 0.350 6 HB3 MET 1 1HB MET 1 -21.095 8.696 0.724 7 HG2 MET 1 2HG MET 1 -21.157 8.225 -1.642 8 HG3 MET 1 1HG MET 1 -19.828 7.323 -0.914 9 HE1 MET 1 1HE MET 1 -20.931 6.636 -3.835 10 HE2 MET 1 2HE MET 1 -21.030 4.877 -3.756 11 HE3 MET 1 3HE MET 1 -19.642 5.709 -3.055 12 H SER 2 H SER 2 -20.226 8.608 2.937 13 HA SER 2 HA SER 2 -21.384 7.986 5.457 14 HB2 SER 2 2HB SER 2 -20.265 10.640 4.436 15 HB3 SER 2 1HB SER 2 -20.611 10.255 6.123 16 HG SER 2 HG SER 2 -18.887 8.633 4.592 17 H GLY 3 H GLY 3 -22.216 10.373 2.937 18 HA2 GLY 3 2HA GLY 3 -24.246 11.107 2.204 19 HA3 GLY 3 1HA GLY 3 -25.047 10.048 3.353 20 H SER 4 H SER 4 -24.816 10.796 5.699 21 HA SER 4 HA SER 4 -26.085 13.346 5.877 22 HB2 SER 4 2HB SER 4 -25.265 11.352 8.027 23 HB3 SER 4 1HB SER 4 -26.308 12.751 8.296 24 HG SER 4 HG SER 4 -27.045 11.075 6.219 25 H HIS 5 H HIS 5 -25.196 15.259 6.286 26 HA HIS 5 HA HIS 5 -22.853 15.532 8.053 27 HB2 HIS 5 2HB HIS 5 -23.142 17.028 5.398 28 HB3 HIS 5 1HB HIS 5 -21.903 17.343 6.608 29 HD1 HIS 5 HD1 HIS 5 -19.987 15.585 6.833 30 HD2 HIS 5 HD2 HIS 5 -22.662 14.804 3.752 31 HE1 HIS 5 HE1 HIS 5 -18.892 13.834 5.412 32 HE2 HIS 5 HE2 HIS 5 -20.470 13.482 3.488 33 H HIS 6 H HIS 6 -25.984 16.467 7.105 34 HA HIS 6 HA HIS 6 -26.022 18.706 9.051 35 HB2 HIS 6 2HB HIS 6 -27.575 19.961 7.566 36 HB3 HIS 6 1HB HIS 6 -26.004 19.720 6.810 37 HD1 HIS 6 HD1 HIS 6 -29.496 18.164 6.717 38 HD2 HIS 6 HD2 HIS 6 -26.180 18.706 4.275 39 HE1 HIS 6 HE1 HIS 6 -30.161 17.279 4.470 40 HE2 HIS 6 HE2 HIS 6 -28.195 17.760 2.976 41 H HIS 7 H HIS 7 -26.853 15.740 8.976 42 HA HIS 7 HA HIS 7 -29.668 15.561 9.287 43 HB2 HIS 7 2HB HIS 7 -28.317 13.541 8.999 44 HB3 HIS 7 1HB HIS 7 -27.434 13.862 10.488 45 HD1 HIS 7 HD1 HIS 7 -28.313 12.706 12.519 46 HD2 HIS 7 HD2 HIS 7 -31.193 12.936 9.533 47 HE1 HIS 7 HE1 HIS 7 -30.293 11.436 13.394 48 HE2 HIS 7 HE2 HIS 7 -32.076 11.770 11.657 49 H HIS 8 H HIS 8 -27.049 16.249 11.512 50 HA HIS 8 HA HIS 8 -28.928 17.477 13.447 51 HB2 HIS 8 2HB HIS 8 -27.385 15.555 14.244 52 HB3 HIS 8 1HB HIS 8 -26.026 16.625 13.946 53 HD1 HIS 8 HD1 HIS 8 -27.320 15.337 16.719 54 HD2 HIS 8 HD2 HIS 8 -27.161 19.316 15.513 55 HE1 HIS 8 HE1 HIS 8 -27.440 16.690 18.820 56 HE2 HIS 8 HE2 HIS 8 -27.375 19.087 18.073 57 H HIS 9 H HIS 9 -28.740 19.736 13.539 58 HA HIS 9 HA HIS 9 -27.062 20.985 11.497 59 HB2 HIS 9 2HB HIS 9 -29.220 22.185 13.276 60 HB3 HIS 9 1HB HIS 9 -28.423 23.017 11.945 61 HD1 HIS 9 HD1 HIS 9 -31.551 21.844 12.478 62 HD2 HIS 9 HD2 HIS 9 -28.767 20.847 9.568 63 HE1 HIS 9 HE1 HIS 9 -32.868 20.912 10.561 64 HE2 HIS 9 HE2 HIS 9 -31.147 20.149 8.908 65 H HIS 10 H HIS 10 -25.178 20.274 12.980 66 HA HIS 10 HA HIS 10 -23.923 22.602 13.985 67 HB2 HIS 10 2HB HIS 10 -25.276 22.093 16.033 68 HB3 HIS 10 1HB HIS 10 -24.592 20.475 16.090 69 HD1 HIS 10 HD1 HIS 10 -23.847 24.043 16.893 70 HD2 HIS 10 HD2 HIS 10 -21.898 20.370 17.063 71 HE1 HIS 10 HE1 HIS 10 -21.815 24.411 18.322 72 HE2 HIS 10 HE2 HIS 10 -20.740 22.150 18.522 73 H SER 11 H SER 11 -22.560 21.897 12.314 74 HA SER 11 HA SER 11 -21.221 19.350 12.365 75 HB2 SER 11 2HB SER 11 -19.884 20.337 10.484 76 HB3 SER 11 1HB SER 11 -21.621 20.445 10.227 77 HG SER 11 HG SER 11 -21.355 22.502 10.024 78 H SER 12 H SER 12 -19.142 18.909 13.032 79 HA SER 12 HA SER 12 -17.393 20.922 14.170 80 HB2 SER 12 2HB SER 12 -18.992 20.526 16.049 81 HB3 SER 12 1HB SER 12 -18.653 18.797 15.985 82 HG SER 12 HG SER 12 -16.435 20.447 16.240 83 H GLY 13 H GLY 13 -15.293 20.183 14.344 84 HA2 GLY 13 2HA GLY 13 -13.499 18.753 14.359 85 HA3 GLY 13 1HA GLY 13 -14.586 17.379 14.227 86 H ILE 14 H ILE 14 -15.522 19.485 11.833 87 HA ILE 14 HA ILE 14 -15.076 19.869 9.666 88 HB ILE 14 HB ILE 14 -12.284 19.026 10.416 89 HG12 ILE 14 2HG1 ILE 14 -12.900 21.396 10.686 90 HG13 ILE 14 1HG1 ILE 14 -11.679 21.281 9.444 91 HG21 ILE 14 1HG2 ILE 14 -12.552 17.772 8.308 92 HG22 ILE 14 2HG2 ILE 14 -11.376 19.069 8.116 93 HG23 ILE 14 3HG2 ILE 14 -13.018 19.253 7.484 94 HD11 ILE 14 1HD1 ILE 14 -14.643 21.631 9.000 95 HD12 ILE 14 2HD1 ILE 14 -13.428 21.477 7.726 96 HD13 ILE 14 3HD1 ILE 14 -13.382 22.852 8.827 97 H GLU 15 H GLU 15 -14.269 16.423 10.613 98 HA GLU 15 HA GLU 15 -15.353 14.540 10.049 99 HB2 GLU 15 2HB GLU 15 -16.877 16.179 8.002 100 HB3 GLU 15 1HB GLU 15 -17.122 14.455 8.239 101 HG2 GLU 15 2HG GLU 15 -17.863 14.878 10.555 102 HG3 GLU 15 1HG GLU 15 -17.628 16.613 10.304 103 H GLY 16 H GLY 16 -13.826 16.485 7.650 104 HA2 GLY 16 2HA GLY 16 -12.039 14.645 6.729 105 HA3 GLY 16 1HA GLY 16 -13.441 14.481 5.660 106 H ARG 17 H ARG 17 -10.667 15.623 5.327 107 HA ARG 17 HA ARG 17 -11.026 18.421 4.696 108 HB2 ARG 17 2HB ARG 17 -8.700 16.539 4.159 109 HB3 ARG 17 1HB ARG 17 -8.656 18.291 3.972 110 HG2 ARG 17 2HG ARG 17 -8.933 18.597 6.378 111 HG3 ARG 17 1HG ARG 17 -9.139 16.857 6.614 112 HD2 ARG 17 2HD ARG 17 -6.841 16.454 5.872 113 HD3 ARG 17 1HD ARG 17 -6.621 18.175 5.523 114 HE ARG 17 HE ARG 17 -7.387 17.748 8.226 115 HH11 ARG 17 1HH1 ARG 17 -4.581 17.559 6.107 116 HH12 ARG 17 2HH1 ARG 17 -3.446 17.788 7.403 117 HH21 ARG 17 1HH2 ARG 17 -5.906 18.045 9.891 118 HH22 ARG 17 2HH2 ARG 17 -4.206 18.062 9.547 119 H GLY 18 H GLY 18 -12.149 15.783 3.198 120 HA2 GLY 18 2HA GLY 18 -12.416 17.129 0.631 121 HA3 GLY 18 1HA GLY 18 -11.614 15.558 0.607 122 H ARG 19 H ARG 19 -13.860 15.850 -0.823 123 HA ARG 19 HA ARG 19 -16.323 15.285 0.470 124 HB2 ARG 19 2HB ARG 19 -15.503 14.639 -2.399 125 HB3 ARG 19 1HB ARG 19 -17.156 14.734 -1.789 126 HG2 ARG 19 2HG ARG 19 -16.889 17.148 -1.387 127 HG3 ARG 19 1HG ARG 19 -15.208 17.066 -1.928 128 HD2 ARG 19 2HD ARG 19 -17.665 16.494 -3.631 129 HD3 ARG 19 1HD ARG 19 -16.665 17.946 -3.709 130 HE ARG 19 HE ARG 19 -14.790 16.390 -4.359 131 HH11 ARG 19 1HH1 ARG 19 -18.124 15.540 -5.102 132 HH12 ARG 19 2HH1 ARG 19 -17.698 14.548 -6.459 133 HH21 ARG 19 1HH2 ARG 19 -14.253 15.050 -6.125 134 HH22 ARG 19 2HH2 ARG 19 -15.506 14.269 -7.038 135 H MET 20 H MET 20 -13.818 13.250 -0.969 136 HA MET 20 HA MET 20 -15.215 10.759 -0.237 137 HB2 MET 20 2HB MET 20 -12.645 11.054 -1.849 138 HB3 MET 20 1HB MET 20 -13.681 9.630 -1.727 139 HG2 MET 20 2HG MET 20 -14.256 12.228 -3.170 140 HG3 MET 20 1HG MET 20 -14.095 10.616 -3.861 141 HE1 MET 20 1HE MET 20 -16.523 12.837 -4.276 142 HE2 MET 20 2HE MET 20 -17.907 11.753 -4.328 143 HE3 MET 20 3HE MET 20 -16.437 11.323 -5.202 144 H LYS 21 H LYS 21 -12.567 12.788 0.707 145 HA LYS 21 HA LYS 21 -11.120 10.909 2.327 146 HB2 LYS 21 2HB LYS 21 -11.260 13.953 2.552 147 HB3 LYS 21 1HB LYS 21 -10.069 12.915 3.335 148 HG2 LYS 21 2HG LYS 21 -9.160 12.276 1.140 149 HG3 LYS 21 1HG LYS 21 -10.376 13.274 0.335 150 HD2 LYS 21 2HD LYS 21 -8.174 14.405 0.473 151 HD3 LYS 21 1HD LYS 21 -9.438 15.300 1.322 152 HE2 LYS 21 2HE LYS 21 -7.240 15.188 2.542 153 HE3 LYS 21 1HE LYS 21 -8.599 14.559 3.472 154 HZ1 LYS 21 1HZ LYS 21 -6.659 12.910 1.946 155 HZ2 LYS 21 2HZ LYS 21 -7.927 12.328 2.906 156 HZ3 LYS 21 3HZ LYS 21 -6.633 13.153 3.620 157 H LYS 22 H LYS 22 -12.409 9.850 3.854 158 HA LYS 22 HA LYS 22 -14.076 11.470 5.711 159 HB2 LYS 22 2HB LYS 22 -14.926 8.815 4.483 160 HB3 LYS 22 1HB LYS 22 -15.873 9.800 5.581 161 HG2 LYS 22 2HG LYS 22 -15.078 10.953 2.919 162 HG3 LYS 22 1HG LYS 22 -16.344 9.737 2.971 163 HD2 LYS 22 2HD LYS 22 -17.659 11.604 3.123 164 HD3 LYS 22 1HD LYS 22 -17.364 11.371 4.841 165 HE2 LYS 22 2HE LYS 22 -15.757 13.258 3.086 166 HE3 LYS 22 1HE LYS 22 -17.175 13.743 4.010 167 HZ1 LYS 22 1HZ LYS 22 -15.308 14.307 5.264 168 HZ2 LYS 22 2HZ LYS 22 -14.583 12.802 5.056 169 HZ3 LYS 22 3HZ LYS 22 -15.964 12.947 6.018 170 H LYS 23 H LYS 23 -14.953 9.903 7.475 171 HA LYS 23 HA LYS 23 -14.765 8.554 9.223 172 HB2 LYS 23 2HB LYS 23 -12.667 6.950 7.695 173 HB3 LYS 23 1HB LYS 23 -13.573 6.415 9.107 174 HG2 LYS 23 2HG LYS 23 -14.661 6.936 6.319 175 HG3 LYS 23 1HG LYS 23 -14.525 5.376 7.140 176 HD2 LYS 23 2HD LYS 23 -16.231 6.060 8.782 177 HD3 LYS 23 1HD LYS 23 -16.317 7.670 8.057 178 HE2 LYS 23 2HE LYS 23 -18.212 6.401 7.266 179 HE3 LYS 23 1HE LYS 23 -17.089 6.584 5.915 180 HZ1 LYS 23 1HZ LYS 23 -16.245 4.336 6.428 181 HZ2 LYS 23 2HZ LYS 23 -17.878 4.335 5.996 182 HZ3 LYS 23 3HZ LYS 23 -17.433 4.166 7.616 183 H GLN 24 H GLN 24 -11.308 8.452 8.239 184 HA GLN 24 HA GLN 24 -10.606 9.764 10.820 185 HB2 GLN 24 2HB GLN 24 -9.241 7.322 9.591 186 HB3 GLN 24 1HB GLN 24 -8.710 8.167 11.045 187 HG2 GLN 24 2HG GLN 24 -10.791 7.529 12.200 188 HG3 GLN 24 1HG GLN 24 -11.368 6.716 10.748 189 HE21 GLN 24 1HE2 GLN 24 -10.958 5.590 13.407 190 HE22 GLN 24 2HE2 GLN 24 -9.835 4.292 13.214 191 H ILE 25 H ILE 25 -9.237 11.427 10.585 192 HA ILE 25 HA ILE 25 -8.357 12.172 7.899 193 HB ILE 25 HB ILE 25 -8.457 13.703 10.553 194 HG12 ILE 25 2HG1 ILE 25 -9.878 15.360 9.403 195 HG13 ILE 25 1HG1 ILE 25 -9.701 14.549 7.865 196 HG21 ILE 25 1HG2 ILE 25 -7.407 15.698 9.493 197 HG22 ILE 25 2HG2 ILE 25 -7.062 14.733 8.056 198 HG23 ILE 25 3HG2 ILE 25 -6.298 14.327 9.591 199 HD11 ILE 25 1HD1 ILE 25 -11.158 13.517 10.288 200 HD12 ILE 25 2HD1 ILE 25 -11.014 12.677 8.736 201 HD13 ILE 25 3HD1 ILE 25 -11.865 14.211 8.835 202 H GLU 26 H GLU 26 -6.964 11.811 11.153 203 HA GLU 26 HA GLU 26 -4.260 12.190 10.567 204 HB2 GLU 26 2HB GLU 26 -5.284 12.179 12.858 205 HB3 GLU 26 1HB GLU 26 -5.486 10.439 12.748 206 HG2 GLU 26 2HG GLU 26 -3.566 10.911 14.125 207 HG3 GLU 26 1HG GLU 26 -3.006 10.189 12.614 208 H PHE 27 H PHE 27 -6.114 9.156 10.821 209 HA PHE 27 HA PHE 27 -4.065 7.318 10.277 210 HB2 PHE 27 2HB PHE 27 -6.245 6.686 11.284 211 HB3 PHE 27 1HB PHE 27 -7.064 7.039 9.778 212 HD1 PHE 27 HD1 PHE 27 -6.529 5.548 7.721 213 HD2 PHE 27 HD2 PHE 27 -5.350 4.503 11.701 214 HE1 PHE 27 HE1 PHE 27 -6.232 3.230 7.037 215 HE2 PHE 27 HE2 PHE 27 -5.058 2.169 10.984 216 HZ PHE 27 HZ PHE 27 -5.493 1.526 8.650 217 H GLU 28 H GLU 28 -6.451 8.881 8.073 218 HA GLU 28 HA GLU 28 -5.611 7.509 5.744 219 HB2 GLU 28 2HB GLU 28 -7.817 8.533 5.779 220 HB3 GLU 28 1HB GLU 28 -7.108 10.126 5.993 221 HG2 GLU 28 2HG GLU 28 -6.091 10.027 3.760 222 HG3 GLU 28 1HG GLU 28 -6.689 8.394 3.529 223 H ASN 29 H ASN 29 -4.694 10.603 7.212 224 HA ASN 29 HA ASN 29 -3.062 11.634 5.154 225 HB2 ASN 29 2HB ASN 29 -3.173 12.180 8.131 226 HB3 ASN 29 1HB ASN 29 -1.861 12.846 7.176 227 HD21 ASN 29 1HD2 ASN 29 -2.610 14.930 7.723 228 HD22 ASN 29 2HD2 ASN 29 -3.971 15.621 6.922 229 H GLU 30 H GLU 30 -2.411 9.369 7.781 230 HA GLU 30 HA GLU 30 0.420 9.180 7.360 231 HB2 GLU 30 2HB GLU 30 -1.557 7.474 8.896 232 HB3 GLU 30 1HB GLU 30 0.105 6.936 8.681 233 HG2 GLU 30 2HG GLU 30 -0.779 9.497 10.073 234 HG3 GLU 30 1HG GLU 30 -0.180 8.034 10.845 235 H LEU 31 H LEU 31 -2.289 7.013 6.408 236 HA LEU 31 HA LEU 31 -0.708 5.072 5.022 237 HB2 LEU 31 2HB LEU 31 -3.058 4.534 5.605 238 HB3 LEU 31 1HB LEU 31 -3.648 5.752 4.495 239 HG LEU 31 HG LEU 31 -2.010 3.459 3.354 240 HD11 LEU 31 1HD1 LEU 31 -3.958 2.035 2.992 241 HD12 LEU 31 2HD1 LEU 31 -4.973 3.125 3.933 242 HD13 LEU 31 3HD1 LEU 31 -3.656 2.238 4.711 243 HD21 LEU 31 1HD2 LEU 31 -3.407 3.709 1.355 244 HD22 LEU 31 2HD2 LEU 31 -2.660 5.240 1.781 245 HD23 LEU 31 3HD2 LEU 31 -4.369 4.962 2.140 246 H ARG 32 H ARG 32 -2.075 8.117 4.035 247 HA ARG 32 HA ARG 32 -1.748 7.705 1.225 248 HB2 ARG 32 2HB ARG 32 -3.523 9.138 2.566 249 HB3 ARG 32 1HB ARG 32 -2.321 10.410 2.415 250 HG2 ARG 32 2HG ARG 32 -2.516 10.484 0.077 251 HG3 ARG 32 1HG ARG 32 -3.250 8.889 0.003 252 HD2 ARG 32 2HD ARG 32 -5.287 9.809 1.109 253 HD3 ARG 32 1HD ARG 32 -4.547 11.417 1.046 254 HE ARG 32 HE ARG 32 -4.452 11.037 -1.451 255 HH11 ARG 32 1HH1 ARG 32 -7.007 9.575 0.501 256 HH12 ARG 32 2HH1 ARG 32 -8.121 9.500 -0.824 257 HH21 ARG 32 1HH2 ARG 32 -5.934 10.955 -3.143 258 HH22 ARG 32 2HH2 ARG 32 -7.511 10.282 -2.878 259 H SER 33 H SER 33 0.028 9.338 3.821 260 HA SER 33 HA SER 33 1.926 10.700 2.179 261 HB2 SER 33 2HB SER 33 1.443 11.309 4.568 262 HB3 SER 33 1HB SER 33 2.240 9.820 5.077 263 HG SER 33 HG SER 33 3.389 12.067 3.772 264 H MET 34 H MET 34 2.043 7.582 3.990 265 HA MET 34 HA MET 34 4.546 6.653 3.144 266 HB2 MET 34 2HB MET 34 2.008 5.100 3.818 267 HB3 MET 34 1HB MET 34 3.457 4.264 3.293 268 HG2 MET 34 2HG MET 34 3.270 4.141 5.675 269 HG3 MET 34 1HG MET 34 4.664 5.126 5.264 270 HE1 MET 34 1HE MET 34 2.357 6.287 8.601 271 HE2 MET 34 2HE MET 34 3.731 5.245 8.227 272 HE3 MET 34 3HE MET 34 2.097 4.752 7.778 273 H LEU 35 H LEU 35 1.396 6.441 1.553 274 HA LEU 35 HA LEU 35 2.210 4.713 -0.561 275 HB2 LEU 35 2HB LEU 35 -0.195 5.001 0.176 276 HB3 LEU 35 1HB LEU 35 -0.190 6.591 -0.539 277 HG LEU 35 HG LEU 35 0.359 4.262 -2.373 278 HD11 LEU 35 1HD1 LEU 35 -1.547 3.438 -1.086 279 HD12 LEU 35 2HD1 LEU 35 -1.992 3.812 -2.745 280 HD13 LEU 35 3HD1 LEU 35 -2.438 4.922 -1.452 281 HD21 LEU 35 1HD2 LEU 35 0.428 6.570 -3.258 282 HD22 LEU 35 2HD2 LEU 35 -1.241 6.814 -2.738 283 HD23 LEU 35 3HD2 LEU 35 -0.866 5.630 -3.993 284 H ALA 36 H ALA 36 2.079 8.235 -0.238 285 HA ALA 36 HA ALA 36 2.609 8.912 -2.961 286 HB1 ALA 36 1HB ALA 36 3.142 11.151 -2.064 287 HB2 ALA 36 2HB ALA 36 3.126 10.496 -0.423 288 HB3 ALA 36 3HB ALA 36 1.648 10.510 -1.381 289 H THR 37 H THR 37 4.673 8.637 -0.085 290 HA THR 37 HA THR 37 7.185 9.165 -1.204 291 HB THR 37 HB THR 37 6.490 7.355 1.158 292 HG1 THR 37 HG1 THR 37 5.952 9.156 2.070 293 HG21 THR 37 1HG2 THR 37 8.848 7.064 0.445 294 HG22 THR 37 2HG2 THR 37 8.744 7.882 2.006 295 HG23 THR 37 3HG2 THR 37 9.089 8.814 0.548 296 H ALA 38 H ALA 38 5.258 6.240 -1.030 297 HA ALA 38 HA ALA 38 7.257 4.336 -1.734 298 HB1 ALA 38 1HB ALA 38 4.246 4.092 -1.893 299 HB2 ALA 38 2HB ALA 38 5.210 3.814 -0.450 300 HB3 ALA 38 3HB ALA 38 5.410 2.765 -1.855 301 H LEU 39 H LEU 39 4.752 6.058 -3.601 302 HA LEU 39 HA LEU 39 5.328 4.756 -6.093 303 HB2 LEU 39 2HB LEU 39 3.733 7.212 -5.347 304 HB3 LEU 39 1HB LEU 39 4.196 7.037 -7.013 305 HG LEU 39 HG LEU 39 1.880 6.396 -6.666 306 HD11 LEU 39 1HD1 LEU 39 3.209 3.786 -7.350 307 HD12 LEU 39 2HD1 LEU 39 3.237 5.183 -8.426 308 HD13 LEU 39 3HD1 LEU 39 1.701 4.478 -7.941 309 HD21 LEU 39 1HD2 LEU 39 1.109 4.517 -5.399 310 HD22 LEU 39 2HD2 LEU 39 1.945 5.659 -4.355 311 HD23 LEU 39 3HD2 LEU 39 2.743 4.158 -4.843 312 H GLU 40 H GLU 40 6.826 7.383 -4.362 313 HA GLU 40 HA GLU 40 8.468 8.220 -6.620 314 HB2 GLU 40 2HB GLU 40 8.643 8.934 -3.661 315 HB3 GLU 40 1HB GLU 40 9.675 9.614 -4.917 316 HG2 GLU 40 2HG GLU 40 6.662 9.917 -4.730 317 HG3 GLU 40 1HG GLU 40 7.854 11.141 -4.307 318 H LYS 41 H LYS 41 8.693 5.936 -3.931 319 HA LYS 41 HA LYS 41 11.495 5.365 -4.271 320 HB2 LYS 41 2HB LYS 41 9.282 3.755 -2.922 321 HB3 LYS 41 1HB LYS 41 10.983 3.289 -2.909 322 HG2 LYS 41 2HG LYS 41 9.759 5.760 -1.650 323 HG3 LYS 41 1HG LYS 41 10.374 4.324 -0.807 324 HD2 LYS 41 2HD LYS 41 12.695 4.832 -1.728 325 HD3 LYS 41 1HD LYS 41 12.059 6.283 -2.483 326 HE2 LYS 41 2HE LYS 41 11.667 7.261 -0.176 327 HE3 LYS 41 1HE LYS 41 12.396 5.811 0.533 328 HZ1 LYS 41 1HZ LYS 41 13.717 7.722 -1.301 329 HZ2 LYS 41 2HZ LYS 41 14.430 6.332 -0.665 330 HZ3 LYS 41 3HZ LYS 41 13.968 7.591 0.362 331 H ASP 42 H ASP 42 12.396 3.490 -5.227 332 HA ASP 42 HA ASP 42 11.278 2.605 -7.680 333 HB2 ASP 42 2HB ASP 42 13.538 1.327 -6.076 334 HB3 ASP 42 1HB ASP 42 13.193 1.057 -7.782 335 H ILE 43 H ILE 43 9.373 1.573 -7.511 336 HA ILE 43 HA ILE 43 9.256 -0.945 -5.955 337 HB ILE 43 HB ILE 43 6.762 -0.721 -5.996 338 HG12 ILE 43 2HG1 ILE 43 7.289 2.080 -7.102 339 HG13 ILE 43 1HG1 ILE 43 6.466 0.772 -7.943 340 HG21 ILE 43 1HG2 ILE 43 8.180 1.622 -4.668 341 HG22 ILE 43 2HG2 ILE 43 8.059 -0.013 -4.021 342 HG23 ILE 43 3HG2 ILE 43 6.605 0.962 -4.211 343 HD11 ILE 43 1HD1 ILE 43 5.487 2.275 -5.520 344 HD12 ILE 43 2HD1 ILE 43 4.703 0.843 -6.190 345 HD13 ILE 43 3HD1 ILE 43 4.839 2.306 -7.159 346 H SER 44 H SER 44 9.207 -2.702 -7.077 347 HA SER 44 HA SER 44 9.566 -2.817 -9.912 348 HB2 SER 44 2HB SER 44 9.003 -5.165 -8.001 349 HB3 SER 44 1HB SER 44 9.835 -5.257 -9.550 350 HG SER 44 HG SER 44 11.023 -3.464 -7.937 351 H GLN 45 H GLN 45 8.142 -3.963 -11.500 352 HA GLN 45 HA GLN 45 5.568 -3.399 -11.784 353 HB2 GLN 45 2HB GLN 45 6.918 -4.587 -13.444 354 HB3 GLN 45 1HB GLN 45 6.824 -6.070 -12.514 355 HG2 GLN 45 2HG GLN 45 4.401 -6.214 -12.937 356 HG3 GLN 45 1HG GLN 45 4.446 -4.676 -13.793 357 HE21 GLN 45 1HE2 GLN 45 6.944 -5.240 -15.200 358 HE22 GLN 45 2HE2 GLN 45 6.564 -6.420 -16.396 359 H GLU 46 H GLU 46 6.685 -6.077 -9.733 360 HA GLU 46 HA GLU 46 4.340 -7.297 -8.980 361 HB2 GLU 46 2HB GLU 46 5.519 -8.198 -7.093 362 HB3 GLU 46 1HB GLU 46 6.653 -8.089 -8.423 363 HG2 GLU 46 2HG GLU 46 7.589 -5.981 -7.334 364 HG3 GLU 46 1HG GLU 46 6.533 -6.286 -5.976 365 H GLU 47 H GLU 47 5.846 -4.527 -7.239 366 HA GLU 47 HA GLU 47 3.664 -4.506 -5.300 367 HB2 GLU 47 2HB GLU 47 6.350 -4.344 -4.916 368 HB3 GLU 47 1HB GLU 47 6.053 -2.638 -5.169 369 HG2 GLU 47 2HG GLU 47 4.752 -4.306 -2.978 370 HG3 GLU 47 1HG GLU 47 6.202 -3.340 -2.793 371 H ARG 48 H ARG 48 5.080 -2.588 -7.828 372 HA ARG 48 HA ARG 48 3.683 -0.198 -7.653 373 HB2 ARG 48 2HB ARG 48 5.613 -0.855 -9.234 374 HB3 ARG 48 1HB ARG 48 4.353 -1.496 -10.275 375 HG2 ARG 48 2HG ARG 48 3.305 0.772 -10.344 376 HG3 ARG 48 1HG ARG 48 4.652 1.381 -9.387 377 HD2 ARG 48 2HD ARG 48 4.821 0.170 -12.165 378 HD3 ARG 48 1HD ARG 48 5.009 1.877 -11.749 379 HE ARG 48 HE ARG 48 6.931 0.709 -10.248 380 HH11 ARG 48 1HH1 ARG 48 6.207 0.434 -13.688 381 HH12 ARG 48 2HH1 ARG 48 7.855 0.113 -14.127 382 HH21 ARG 48 1HH2 ARG 48 9.076 0.238 -10.841 383 HH22 ARG 48 2HH2 ARG 48 9.476 0.004 -12.517 384 H ASN 49 H ASN 49 2.825 -3.302 -9.174 385 HA ASN 49 HA ASN 49 0.359 -2.742 -10.290 386 HB2 ASN 49 2HB ASN 49 1.650 -4.927 -10.359 387 HB3 ASN 49 1HB ASN 49 1.035 -5.284 -8.756 388 HD21 ASN 49 1HD2 ASN 49 0.707 -6.766 -11.216 389 HD22 ASN 49 2HD2 ASN 49 -0.993 -6.909 -11.478 390 H ALA 50 H ALA 50 1.045 -3.694 -6.913 391 HA ALA 50 HA ALA 50 -1.585 -3.774 -5.923 392 HB1 ALA 50 1HB ALA 50 0.342 -4.810 -4.776 393 HB2 ALA 50 2HB ALA 50 -0.551 -3.742 -3.691 394 HB3 ALA 50 3HB ALA 50 0.979 -3.209 -4.394 395 H LEU 51 H LEU 51 0.842 -1.107 -5.735 396 HA LEU 51 HA LEU 51 -1.007 0.683 -4.417 397 HB2 LEU 51 2HB LEU 51 1.644 1.424 -5.683 398 HB3 LEU 51 1HB LEU 51 0.727 2.388 -4.541 399 HG LEU 51 HG LEU 51 2.227 -0.196 -3.948 400 HD11 LEU 51 1HD1 LEU 51 3.672 1.748 -4.220 401 HD12 LEU 51 2HD1 LEU 51 3.644 1.227 -2.544 402 HD13 LEU 51 3HD1 LEU 51 2.725 2.653 -3.044 403 HD21 LEU 51 1HD2 LEU 51 1.701 0.289 -1.526 404 HD22 LEU 51 2HD2 LEU 51 0.342 -0.282 -2.468 405 HD23 LEU 51 3HD2 LEU 51 0.477 1.439 -2.071 406 H ASN 52 H ASN 52 -0.325 0.044 -7.766 407 HA ASN 52 HA ASN 52 -1.498 2.414 -8.840 408 HB2 ASN 52 2HB ASN 52 -0.858 -0.283 -10.008 409 HB3 ASN 52 1HB ASN 52 -1.917 0.798 -10.904 410 HD21 ASN 52 1HD2 ASN 52 -0.499 1.079 -12.572 411 HD22 ASN 52 2HD2 ASN 52 0.956 1.993 -12.426 412 H ILE 53 H ILE 53 -2.670 -0.805 -8.042 413 HA ILE 53 HA ILE 53 -5.406 -0.481 -8.695 414 HB ILE 53 HB ILE 53 -3.968 -2.350 -6.778 415 HG12 ILE 53 2HG1 ILE 53 -5.337 -2.859 -9.466 416 HG13 ILE 53 1HG1 ILE 53 -3.606 -2.717 -9.212 417 HG21 ILE 53 1HG2 ILE 53 -6.066 -3.670 -6.524 418 HG22 ILE 53 2HG2 ILE 53 -6.959 -2.398 -7.363 419 HG23 ILE 53 3HG2 ILE 53 -6.198 -2.063 -5.807 420 HD11 ILE 53 1HD1 ILE 53 -4.237 -5.010 -9.462 421 HD12 ILE 53 2HD1 ILE 53 -5.381 -4.891 -8.126 422 HD13 ILE 53 3HD1 ILE 53 -3.647 -4.729 -7.826 423 H ALA 54 H ALA 54 -3.486 0.240 -5.846 424 HA ALA 54 HA ALA 54 -5.559 0.821 -4.001 425 HB1 ALA 54 1HB ALA 54 -2.719 1.890 -4.004 426 HB2 ALA 54 2HB ALA 54 -3.223 0.348 -3.312 427 HB3 ALA 54 3HB ALA 54 -3.823 1.859 -2.624 428 H GLU 55 H GLU 55 -3.564 2.968 -6.060 429 HA GLU 55 HA GLU 55 -4.681 5.434 -5.202 430 HB2 GLU 55 2HB GLU 55 -2.508 5.490 -6.206 431 HB3 GLU 55 1HB GLU 55 -3.069 4.667 -7.644 432 HG2 GLU 55 2HG GLU 55 -4.356 6.649 -8.320 433 HG3 GLU 55 1HG GLU 55 -3.834 7.489 -6.866 434 H LYS 56 H LYS 56 -5.363 3.384 -8.072 435 HA LYS 56 HA LYS 56 -7.255 5.176 -9.236 436 HB2 LYS 56 2HB LYS 56 -6.818 2.212 -9.704 437 HB3 LYS 56 1HB LYS 56 -8.004 3.158 -10.596 438 HG2 LYS 56 2HG LYS 56 -6.150 4.645 -11.382 439 HG3 LYS 56 1HG LYS 56 -4.994 3.561 -10.600 440 HD2 LYS 56 2HD LYS 56 -5.838 1.692 -12.028 441 HD3 LYS 56 1HD LYS 56 -6.908 2.832 -12.852 442 HE2 LYS 56 2HE LYS 56 -4.868 2.414 -14.168 443 HE3 LYS 56 1HE LYS 56 -4.936 4.099 -13.645 444 HZ1 LYS 56 1HZ LYS 56 -3.364 1.962 -12.304 445 HZ2 LYS 56 2HZ LYS 56 -3.391 3.596 -11.875 446 HZ3 LYS 56 3HZ LYS 56 -2.728 3.123 -13.355 447 H ALA 57 H ALA 57 -7.465 2.684 -6.826 448 HA ALA 57 HA ALA 57 -10.339 2.544 -6.704 449 HB1 ALA 57 1HB ALA 57 -9.932 1.232 -4.625 450 HB2 ALA 57 2HB ALA 57 -8.207 1.571 -4.781 451 HB3 ALA 57 3HB ALA 57 -9.023 0.613 -6.011 452 H LEU 58 H LEU 58 -7.792 4.446 -4.988 453 HA LEU 58 HA LEU 58 -9.486 5.590 -2.998 454 HB2 LEU 58 2HB LEU 58 -7.126 7.035 -4.273 455 HB3 LEU 58 1HB LEU 58 -7.840 7.394 -2.709 456 HG LEU 58 HG LEU 58 -5.969 5.061 -3.449 457 HD11 LEU 58 1HD1 LEU 58 -4.751 7.145 -2.966 458 HD12 LEU 58 2HD1 LEU 58 -4.394 5.863 -1.826 459 HD13 LEU 58 3HD1 LEU 58 -5.462 7.177 -1.342 460 HD21 LEU 58 1HD2 LEU 58 -5.962 4.302 -1.063 461 HD22 LEU 58 2HD2 LEU 58 -7.445 3.959 -1.910 462 HD23 LEU 58 3HD2 LEU 58 -7.381 5.302 -0.757 463 H ASP 59 H ASP 59 -8.731 6.538 -6.325 464 HA ASP 59 HA ASP 59 -10.077 9.038 -6.332 465 HB2 ASP 59 2HB ASP 59 -8.379 8.243 -8.034 466 HB3 ASP 59 1HB ASP 59 -9.626 7.208 -8.723 467 H ASN 60 H ASN 60 -11.133 5.790 -7.377 468 HA ASN 60 HA ASN 60 -13.869 6.618 -7.868 469 HB2 ASN 60 2HB ASN 60 -12.527 3.877 -7.895 470 HB3 ASN 60 1HB ASN 60 -14.249 4.098 -8.188 471 HD21 ASN 60 1HD2 ASN 60 -14.096 3.273 -10.268 472 HD22 ASN 60 2HD2 ASN 60 -13.355 4.160 -11.558 473 H SER 61 H SER 61 -12.106 5.857 -5.094 474 HA SER 61 HA SER 61 -12.585 5.664 -2.924 475 HB2 SER 61 2HB SER 61 -15.356 6.671 -3.688 476 HB3 SER 61 1HB SER 61 -14.621 6.740 -2.082 477 HG SER 61 HG SER 61 -12.989 7.845 -3.928 478 H GLU 62 H GLU 62 -12.505 3.324 -4.006 479 HA GLU 62 HA GLU 62 -14.875 1.708 -3.532 480 HB2 GLU 62 2HB GLU 62 -12.089 0.983 -4.504 481 HB3 GLU 62 1HB GLU 62 -13.432 -0.153 -4.401 482 HG2 GLU 62 2HG GLU 62 -13.362 2.328 -6.149 483 HG3 GLU 62 1HG GLU 62 -13.047 0.689 -6.707 484 H TYR 63 H TYR 63 -13.755 3.005 -1.255 485 HA TYR 63 HA TYR 63 -14.200 2.590 0.889 486 HB2 TYR 63 2HB TYR 63 -14.165 -0.344 0.118 487 HB3 TYR 63 1HB TYR 63 -14.436 0.185 1.772 488 HD1 TYR 63 HD1 TYR 63 -16.540 1.312 2.386 489 HD2 TYR 63 HD2 TYR 63 -15.918 -0.071 -1.608 490 HE1 TYR 63 HE1 TYR 63 -18.942 1.499 1.944 491 HE2 TYR 63 HE2 TYR 63 -18.318 0.126 -2.053 492 HH TYR 63 HH TYR 63 -20.434 0.143 -0.785 493 H LEU 64 H LEU 64 -12.788 2.943 2.494 494 HA LEU 64 HA LEU 64 -10.004 2.468 2.267 495 HB2 LEU 64 2HB LEU 64 -11.523 3.091 4.844 496 HB3 LEU 64 1HB LEU 64 -9.785 3.146 4.684 497 HG LEU 64 HG LEU 64 -11.599 5.088 3.188 498 HD11 LEU 64 1HD1 LEU 64 -12.101 5.303 5.605 499 HD12 LEU 64 2HD1 LEU 64 -11.236 6.715 5.010 500 HD13 LEU 64 3HD1 LEU 64 -10.379 5.491 5.951 501 HD21 LEU 64 1HD2 LEU 64 -8.641 5.187 3.917 502 HD22 LEU 64 2HD2 LEU 64 -9.553 6.589 3.363 503 HD23 LEU 64 3HD2 LEU 64 -9.340 5.226 2.295 504 HA PRO 65 HA PRO 65 -11.046 -1.337 5.461 505 HB2 PRO 65 2HB PRO 65 -13.504 -2.441 4.465 506 HB3 PRO 65 1HB PRO 65 -13.246 -1.656 6.032 507 HG2 PRO 65 2HG PRO 65 -14.299 -0.481 3.491 508 HG3 PRO 65 1HG PRO 65 -14.806 -0.182 5.173 509 HD2 PRO 65 2HD PRO 65 -13.323 1.623 3.942 510 HD3 PRO 65 1HD PRO 65 -12.948 1.207 5.627 511 H LYS 66 H LYS 66 -12.276 -1.113 2.136 512 HA LYS 66 HA LYS 66 -11.596 -3.771 1.400 513 HB2 LYS 66 2HB LYS 66 -13.446 -2.513 0.320 514 HB3 LYS 66 1HB LYS 66 -12.285 -1.408 -0.388 515 HG2 LYS 66 2HG LYS 66 -12.958 -2.904 -2.104 516 HG3 LYS 66 1HG LYS 66 -11.315 -3.358 -1.666 517 HD2 LYS 66 2HD LYS 66 -13.707 -4.807 -0.475 518 HD3 LYS 66 1HD LYS 66 -13.088 -5.230 -2.070 519 HE2 LYS 66 2HE LYS 66 -11.565 -5.395 0.558 520 HE3 LYS 66 1HE LYS 66 -12.132 -6.737 -0.440 521 HZ1 LYS 66 1HZ LYS 66 -10.644 -6.044 -2.194 522 HZ2 LYS 66 2HZ LYS 66 -9.780 -6.307 -0.768 523 HZ3 LYS 66 3HZ LYS 66 -10.107 -4.728 -1.275 524 H ILE 67 H ILE 67 -10.014 -0.638 1.035 525 HA ILE 67 HA ILE 67 -7.917 -1.619 -0.708 526 HB ILE 67 HB ILE 67 -8.268 1.098 0.640 527 HG12 ILE 67 2HG1 ILE 67 -8.896 0.176 -2.193 528 HG13 ILE 67 1HG1 ILE 67 -10.089 0.411 -0.936 529 HG21 ILE 67 1HG2 ILE 67 -6.632 1.948 -1.032 530 HG22 ILE 67 2HG2 ILE 67 -6.370 0.299 -1.604 531 HG23 ILE 67 3HG2 ILE 67 -5.901 0.747 0.037 532 HD11 ILE 67 1HD1 ILE 67 -8.400 2.575 -2.166 533 HD12 ILE 67 2HD1 ILE 67 -9.604 2.790 -0.891 534 HD13 ILE 67 3HD1 ILE 67 -10.101 2.243 -2.491 535 H ILE 68 H ILE 68 -8.348 -1.178 2.715 536 HA ILE 68 HA ILE 68 -5.594 -1.462 3.483 537 HB ILE 68 HB ILE 68 -8.192 -1.782 5.017 538 HG12 ILE 68 2HG1 ILE 68 -5.991 0.326 5.266 539 HG13 ILE 68 1HG1 ILE 68 -7.509 0.558 4.410 540 HG21 ILE 68 1HG2 ILE 68 -6.776 -1.896 7.100 541 HG22 ILE 68 2HG2 ILE 68 -5.380 -2.176 6.060 542 HG23 ILE 68 3HG2 ILE 68 -6.705 -3.330 6.081 543 HD11 ILE 68 1HD1 ILE 68 -7.881 1.584 6.423 544 HD12 ILE 68 2HD1 ILE 68 -7.013 0.363 7.349 545 HD13 ILE 68 3HD1 ILE 68 -8.611 0.006 6.687 546 H LEU 69 H LEU 69 -8.425 -3.561 3.265 547 HA LEU 69 HA LEU 69 -7.246 -6.047 3.801 548 HB2 LEU 69 2HB LEU 69 -9.768 -5.232 3.430 549 HB3 LEU 69 1HB LEU 69 -9.480 -5.764 1.784 550 HG LEU 69 HG LEU 69 -9.526 -7.461 4.336 551 HD11 LEU 69 1HD1 LEU 69 -11.784 -7.067 3.432 552 HD12 LEU 69 2HD1 LEU 69 -11.326 -8.758 3.350 553 HD13 LEU 69 3HD1 LEU 69 -11.303 -7.786 1.884 554 HD21 LEU 69 1HD2 LEU 69 -9.011 -9.488 3.063 555 HD22 LEU 69 2HD2 LEU 69 -7.675 -8.343 3.030 556 HD23 LEU 69 3HD2 LEU 69 -8.712 -8.525 1.613 557 H ASN 70 H ASN 70 -7.356 -4.031 0.891 558 HA ASN 70 HA ASN 70 -6.441 -5.968 -0.978 559 HB2 ASN 70 2HB ASN 70 -7.647 -4.056 -1.817 560 HB3 ASN 70 1HB ASN 70 -6.518 -2.925 -1.114 561 HD21 ASN 70 1HD2 ASN 70 -4.483 -2.592 -2.140 562 HD22 ASN 70 2HD2 ASN 70 -4.216 -3.080 -3.777 563 H LEU 71 H LEU 71 -4.664 -3.439 0.918 564 HA LEU 71 HA LEU 71 -2.116 -4.163 -0.246 565 HB2 LEU 71 2HB LEU 71 -2.626 -2.535 2.280 566 HB3 LEU 71 1HB LEU 71 -1.103 -2.634 1.414 567 HG LEU 71 HG LEU 71 -3.643 -1.267 0.424 568 HD11 LEU 71 1HD1 LEU 71 -1.011 -0.024 1.277 569 HD12 LEU 71 2HD1 LEU 71 -2.492 -0.035 2.230 570 HD13 LEU 71 3HD1 LEU 71 -2.447 0.827 0.698 571 HD21 LEU 71 1HD2 LEU 71 -2.576 -2.017 -1.561 572 HD22 LEU 71 2HD2 LEU 71 -0.965 -1.601 -0.960 573 HD23 LEU 71 3HD2 LEU 71 -2.111 -0.332 -1.380 574 H ARG 72 H ARG 72 -4.030 -5.208 2.441 575 HA ARG 72 HA ARG 72 -1.900 -6.743 3.680 576 HB2 ARG 72 2HB ARG 72 -3.761 -5.820 5.068 577 HB3 ARG 72 1HB ARG 72 -4.918 -6.846 4.228 578 HG2 ARG 72 2HG ARG 72 -3.584 -8.845 5.065 579 HG3 ARG 72 1HG ARG 72 -2.670 -7.711 6.061 580 HD2 ARG 72 2HD ARG 72 -4.414 -8.725 7.391 581 HD3 ARG 72 1HD ARG 72 -4.796 -7.017 7.151 582 HE ARG 72 HE ARG 72 -6.008 -8.822 5.225 583 HH11 ARG 72 1HH1 ARG 72 -6.449 -7.244 8.334 584 HH12 ARG 72 2HH1 ARG 72 -8.175 -7.383 8.296 585 HH21 ARG 72 1HH2 ARG 72 -8.261 -9.015 5.206 586 HH22 ARG 72 2HH2 ARG 72 -9.195 -8.384 6.524 587 H LYS 73 H LYS 73 -4.274 -7.286 1.117 588 HA LYS 73 HA LYS 73 -4.004 -10.198 1.230 589 HB2 LYS 73 2HB LYS 73 -6.215 -9.035 0.696 590 HB3 LYS 73 1HB LYS 73 -5.510 -8.539 -0.834 591 HG2 LYS 73 2HG LYS 73 -6.848 -10.483 -1.250 592 HG3 LYS 73 1HG LYS 73 -5.153 -10.969 -1.386 593 HD2 LYS 73 2HD LYS 73 -5.298 -11.825 1.010 594 HD3 LYS 73 1HD LYS 73 -7.032 -11.480 0.957 595 HE2 LYS 73 2HE LYS 73 -5.529 -13.444 -0.809 596 HE3 LYS 73 1HE LYS 73 -6.645 -13.844 0.497 597 HZ1 LYS 73 1HZ LYS 73 -8.426 -12.817 -0.766 598 HZ2 LYS 73 2HZ LYS 73 -7.695 -14.048 -1.656 599 HZ3 LYS 73 3HZ LYS 73 -7.362 -12.433 -2.019 600 H ALA 74 H ALA 74 -2.713 -7.458 -0.395 601 HA ALA 74 HA ALA 74 -1.444 -8.921 -2.574 602 HB1 ALA 74 1HB ALA 74 -0.556 -6.731 -3.247 603 HB2 ALA 74 2HB ALA 74 -1.171 -6.010 -1.755 604 HB3 ALA 74 3HB ALA 74 -2.297 -6.640 -2.962 605 H LEU 75 H LEU 75 -0.384 -7.191 0.375 606 HA LEU 75 HA LEU 75 2.415 -7.758 -0.224 607 HB2 LEU 75 2HB LEU 75 1.115 -5.989 1.841 608 HB3 LEU 75 1HB LEU 75 2.783 -6.461 2.032 609 HG LEU 75 HG LEU 75 3.443 -5.304 -0.000 610 HD11 LEU 75 1HD1 LEU 75 0.557 -4.531 -0.456 611 HD12 LEU 75 2HD1 LEU 75 1.506 -5.642 -1.448 612 HD13 LEU 75 3HD1 LEU 75 1.947 -3.943 -1.369 613 HD21 LEU 75 1HD2 LEU 75 1.681 -3.502 1.677 614 HD22 LEU 75 2HD2 LEU 75 3.021 -2.991 0.647 615 HD23 LEU 75 3HD2 LEU 75 3.333 -3.991 2.063 616 H THR 76 H THR 76 -0.023 -9.088 1.939 617 HA THR 76 HA THR 76 1.786 -10.366 3.695 618 HB THR 76 HB THR 76 -1.081 -11.125 3.096 619 HG1 THR 76 HG1 THR 76 0.121 -9.261 4.605 620 HG21 THR 76 1HG2 THR 76 -1.039 -12.493 5.147 621 HG22 THR 76 2HG2 THR 76 0.692 -12.206 5.318 622 HG23 THR 76 3HG2 THR 76 0.085 -13.142 3.951 623 HA PRO 77 HA PRO 77 1.621 -14.377 0.846 624 HB2 PRO 77 2HB PRO 77 1.267 -13.148 -1.876 625 HB3 PRO 77 1HB PRO 77 0.628 -14.676 -1.241 626 HG2 PRO 77 2HG PRO 77 -0.987 -12.592 -1.571 627 HG3 PRO 77 1HG PRO 77 -1.144 -13.635 -0.135 628 HD2 PRO 77 2HD PRO 77 0.189 -10.936 -0.366 629 HD3 PRO 77 1HD PRO 77 -0.905 -11.543 0.880 630 H LEU 78 H LEU 78 2.786 -11.300 -0.532 631 HA LEU 78 HA LEU 78 5.270 -12.332 -1.499 632 HB2 LEU 78 2HB LEU 78 4.778 -9.415 -0.768 633 HB3 LEU 78 1HB LEU 78 6.002 -10.037 -1.860 634 HG LEU 78 HG LEU 78 2.984 -9.946 -2.387 635 HD11 LEU 78 1HD1 LEU 78 4.069 -7.742 -2.629 636 HD12 LEU 78 2HD1 LEU 78 3.451 -8.362 -4.150 637 HD13 LEU 78 3HD1 LEU 78 5.181 -8.428 -3.816 638 HD21 LEU 78 1HD2 LEU 78 3.851 -11.946 -3.492 639 HD22 LEU 78 2HD2 LEU 78 5.143 -11.019 -4.247 640 HD23 LEU 78 3HD2 LEU 78 3.463 -10.724 -4.687 641 H ALA 79 H ALA 79 4.224 -11.047 1.583 642 HA ALA 79 HA ALA 79 6.806 -10.791 2.800 643 HB1 ALA 79 1HB ALA 79 4.072 -11.007 4.094 644 HB2 ALA 79 2HB ALA 79 4.857 -9.507 3.591 645 HB3 ALA 79 3HB ALA 79 5.558 -10.478 4.888 646 H ILE 80 H ILE 80 4.285 -13.310 2.840 647 HA ILE 80 HA ILE 80 5.483 -15.106 4.651 648 HB ILE 80 HB ILE 80 3.562 -15.666 2.339 649 HG12 ILE 80 2HG1 ILE 80 2.930 -15.417 5.328 650 HG13 ILE 80 1HG1 ILE 80 2.672 -14.151 4.138 651 HG21 ILE 80 1HG2 ILE 80 3.029 -17.835 3.445 652 HG22 ILE 80 2HG2 ILE 80 4.336 -17.553 4.596 653 HG23 ILE 80 3HG2 ILE 80 4.699 -17.756 2.884 654 HD11 ILE 80 1HD1 ILE 80 1.302 -16.838 4.143 655 HD12 ILE 80 2HD1 ILE 80 1.045 -15.538 2.977 656 HD13 ILE 80 3HD1 ILE 80 0.607 -15.305 4.668 657 H ASN 81 H ASN 81 5.704 -14.836 1.099 658 HA ASN 81 HA ASN 81 7.566 -16.997 0.766 659 HB2 ASN 81 2HB ASN 81 6.788 -14.711 -1.078 660 HB3 ASN 81 1HB ASN 81 7.907 -15.983 -1.554 661 HD21 ASN 81 1HD2 ASN 81 6.603 -16.744 -3.210 662 HD22 ASN 81 2HD2 ASN 81 5.095 -17.540 -2.924 663 H ARG 82 H ARG 82 7.925 -13.768 1.874 664 HA ARG 82 HA ARG 82 9.679 -12.571 2.624 665 HB2 ARG 82 2HB ARG 82 11.331 -15.116 2.244 666 HB3 ARG 82 1HB ARG 82 11.856 -13.699 3.141 667 HG2 ARG 82 2HG ARG 82 10.199 -14.122 4.880 668 HG3 ARG 82 1HG ARG 82 9.492 -15.445 3.946 669 HD2 ARG 82 2HD ARG 82 11.620 -16.699 4.117 670 HD3 ARG 82 1HD ARG 82 12.324 -15.385 5.062 671 HE ARG 82 HE ARG 82 10.177 -16.020 6.532 672 HH11 ARG 82 1HH1 ARG 82 12.653 -18.086 5.111 673 HH12 ARG 82 2HH1 ARG 82 12.529 -19.289 6.352 674 HH21 ARG 82 1HH2 ARG 82 10.048 -17.613 8.161 675 HH22 ARG 82 2HH2 ARG 82 11.056 -19.021 8.077 676 H THR 83 H THR 83 9.123 -11.793 0.226 677 HA THR 83 HA THR 83 11.740 -11.260 -1.018 678 HB THR 83 HB THR 83 10.571 -13.201 -2.247 679 HG1 THR 83 HG1 THR 83 11.515 -10.837 -3.484 680 HG21 THR 83 1HG2 THR 83 8.832 -12.684 -3.866 681 HG22 THR 83 2HG2 THR 83 8.839 -10.982 -3.400 682 HG23 THR 83 3HG2 THR 83 8.269 -12.199 -2.267 683 H LEU 84 H LEU 84 9.248 -9.910 0.464 684 HA LEU 84 HA LEU 84 8.445 -7.792 -1.257 685 HB2 LEU 84 2HB LEU 84 7.144 -8.458 0.736 686 HB3 LEU 84 1HB LEU 84 8.463 -7.975 1.786 687 HG LEU 84 HG LEU 84 8.037 -5.554 0.846 688 HD11 LEU 84 1HD1 LEU 84 6.558 -5.986 -1.000 689 HD12 LEU 84 2HD1 LEU 84 5.635 -5.140 0.226 690 HD13 LEU 84 3HD1 LEU 84 5.443 -6.880 0.025 691 HD21 LEU 84 1HD2 LEU 84 6.009 -6.846 2.694 692 HD22 LEU 84 2HD2 LEU 84 6.325 -5.115 2.550 693 HD23 LEU 84 3HD2 LEU 84 7.583 -6.188 3.156 694 H ASN 85 H ASN 85 9.247 -5.757 -1.487 695 HA ASN 85 HA ASN 85 12.060 -5.355 -1.369 696 HB2 ASN 85 2HB ASN 85 10.590 -4.206 -3.069 697 HB3 ASN 85 1HB ASN 85 9.932 -3.185 -1.781 698 HD21 ASN 85 1HD2 ASN 85 10.586 -1.371 -2.959 699 HD22 ASN 85 2HD2 ASN 85 12.235 -0.871 -3.026 700 H HIS 86 H HIS 86 9.434 -4.179 0.697 701 HA HIS 86 HA HIS 86 9.313 -3.814 2.922 702 HB2 HIS 86 2HB HIS 86 10.885 -5.736 3.061 703 HB3 HIS 86 1HB HIS 86 12.245 -4.633 2.984 704 HD1 HIS 86 HD1 HIS 86 13.021 -3.608 5.171 705 HD2 HIS 86 HD2 HIS 86 9.432 -5.670 5.544 706 HE1 HIS 86 HE1 HIS 86 12.595 -3.787 7.639 707 HE2 HIS 86 HE2 HIS 86 10.399 -5.007 7.835 708 H ASP 87 H ASP 87 10.714 -1.783 0.859 709 HA ASP 87 HA ASP 87 11.881 0.120 2.748 710 HB2 ASP 87 2HB ASP 87 11.536 0.267 -0.290 711 HB3 ASP 87 1HB ASP 87 12.079 1.646 0.665 712 H LEU 88 H LEU 88 8.689 -0.589 1.883 713 HA LEU 88 HA LEU 88 7.885 1.903 3.275 714 HB2 LEU 88 2HB LEU 88 5.597 1.674 2.179 715 HB3 LEU 88 1HB LEU 88 6.887 2.343 1.211 716 HG LEU 88 HG LEU 88 6.320 -0.610 0.878 717 HD11 LEU 88 1HD1 LEU 88 4.063 0.348 0.881 718 HD12 LEU 88 2HD1 LEU 88 4.525 -0.195 -0.730 719 HD13 LEU 88 3HD1 LEU 88 4.547 1.525 -0.340 720 HD21 LEU 88 1HD2 LEU 88 6.952 -0.146 -1.448 721 HD22 LEU 88 2HD2 LEU 88 8.176 0.493 -0.354 722 HD23 LEU 88 3HD2 LEU 88 7.020 1.586 -1.111 723 H SER 89 H SER 89 8.772 -0.439 4.425 724 HA SER 89 HA SER 89 6.911 -2.345 5.224 725 HB2 SER 89 2HB SER 89 9.305 -2.605 5.631 726 HB3 SER 89 1HB SER 89 9.303 -1.228 6.730 727 HG SER 89 HG SER 89 7.541 -3.315 7.303 728 H GLU 90 H GLU 90 7.376 0.936 6.312 729 HA GLU 90 HA GLU 90 6.170 0.938 8.820 730 HB2 GLU 90 2HB GLU 90 7.479 2.828 7.614 731 HB3 GLU 90 1HB GLU 90 5.960 3.227 6.827 732 HG2 GLU 90 2HG GLU 90 6.154 4.712 8.671 733 HG3 GLU 90 1HG GLU 90 4.943 3.515 9.134 734 H LEU 91 H LEU 91 4.767 1.089 5.575 735 HA LEU 91 HA LEU 91 2.103 1.804 6.366 736 HB2 LEU 91 2HB LEU 91 2.964 2.374 4.156 737 HB3 LEU 91 1HB LEU 91 3.221 0.684 3.771 738 HG LEU 91 HG LEU 91 0.754 0.299 3.772 739 HD11 LEU 91 1HD1 LEU 91 0.091 1.977 5.413 740 HD12 LEU 91 2HD1 LEU 91 -0.810 2.176 3.915 741 HD13 LEU 91 3HD1 LEU 91 0.517 3.275 4.296 742 HD21 LEU 91 1HD2 LEU 91 0.228 1.570 1.718 743 HD22 LEU 91 2HD2 LEU 91 1.830 0.841 1.662 744 HD23 LEU 91 3HD2 LEU 91 1.664 2.568 1.978 745 H TYR 92 H TYR 92 3.694 -1.242 5.375 746 HA TYR 92 HA TYR 92 1.376 -2.888 5.565 747 HB2 TYR 92 2HB TYR 92 3.292 -3.522 4.141 748 HB3 TYR 92 1HB TYR 92 4.325 -3.639 5.558 749 HD1 TYR 92 HD1 TYR 92 4.926 -5.899 5.889 750 HD2 TYR 92 HD2 TYR 92 0.880 -5.005 4.800 751 HE1 TYR 92 HE1 TYR 92 4.333 -8.260 6.141 752 HE2 TYR 92 HE2 TYR 92 0.293 -7.362 5.046 753 HH TYR 92 HH TYR 92 2.344 -9.615 6.571 754 H LYS 93 H LYS 93 3.674 -1.675 7.840 755 HA LYS 93 HA LYS 93 2.959 -3.535 9.992 756 HB2 LYS 93 2HB LYS 93 4.932 -1.237 9.787 757 HB3 LYS 93 1HB LYS 93 4.386 -1.739 11.376 758 HG2 LYS 93 2HG LYS 93 5.903 -3.472 9.377 759 HG3 LYS 93 1HG LYS 93 6.526 -2.777 10.873 760 HD2 LYS 93 2HD LYS 93 4.913 -4.159 12.167 761 HD3 LYS 93 1HD LYS 93 4.320 -4.869 10.664 762 HE2 LYS 93 2HE LYS 93 5.846 -6.444 11.653 763 HE3 LYS 93 1HE LYS 93 6.668 -5.742 10.260 764 HZ1 LYS 93 1HZ LYS 93 8.116 -5.910 12.200 765 HZ2 LYS 93 2HZ LYS 93 7.073 -4.922 13.090 766 HZ3 LYS 93 3HZ LYS 93 7.893 -4.294 11.753 767 H PHE 94 H PHE 94 2.204 -0.313 8.831 768 HA PHE 94 HA PHE 94 1.042 0.780 11.154 769 HB2 PHE 94 2HB PHE 94 1.798 2.188 9.297 770 HB3 PHE 94 1HB PHE 94 0.603 1.493 8.222 771 HD1 PHE 94 HD1 PHE 94 -1.521 2.560 7.991 772 HD2 PHE 94 HD2 PHE 94 0.937 3.519 11.366 773 HE1 PHE 94 HE1 PHE 94 -3.086 4.330 8.632 774 HE2 PHE 94 HE2 PHE 94 -0.643 5.297 11.991 775 HZ PHE 94 HZ PHE 94 -2.651 5.704 10.624 776 H ILE 95 H ILE 95 -0.533 -0.681 8.284 777 HA ILE 95 HA ILE 95 -3.162 -0.423 9.437 778 HB ILE 95 HB ILE 95 -4.078 -1.410 7.492 779 HG12 ILE 95 2HG1 ILE 95 -1.337 -2.581 6.852 780 HG13 ILE 95 1HG1 ILE 95 -2.866 -3.405 7.072 781 HG21 ILE 95 1HG2 ILE 95 -1.731 0.312 6.658 782 HG22 ILE 95 2HG2 ILE 95 -3.321 0.861 7.189 783 HG23 ILE 95 3HG2 ILE 95 -3.160 -0.018 5.671 784 HD11 ILE 95 1HD1 ILE 95 -2.147 -1.664 4.724 785 HD12 ILE 95 2HD1 ILE 95 -3.679 -2.505 4.974 786 HD13 ILE 95 3HD1 ILE 95 -2.193 -3.428 4.763 787 H THR 96 H THR 96 -0.750 -2.618 10.178 788 HA THR 96 HA THR 96 -2.662 -4.734 11.036 789 HB THR 96 HB THR 96 -0.551 -6.160 11.311 790 HG1 THR 96 HG1 THR 96 1.004 -4.994 9.551 791 HG21 THR 96 1HG2 THR 96 -2.090 -6.389 9.322 792 HG22 THR 96 2HG2 THR 96 -0.414 -6.830 8.988 793 HG23 THR 96 3HG2 THR 96 -1.037 -5.278 8.451 794 H SER 97 H SER 97 -1.052 -2.074 12.245 795 HA SER 97 HA SER 97 -0.686 -3.267 14.966 796 HB2 SER 97 2HB SER 97 0.719 -0.836 13.763 797 HB3 SER 97 1HB SER 97 0.901 -1.380 15.428 798 HG SER 97 HG SER 97 1.585 -2.846 13.101 799 H SER 98 H SER 98 -2.227 -0.889 13.017 800 HA SER 98 HA SER 98 -3.258 0.820 15.070 801 HB2 SER 98 2HB SER 98 -4.037 0.388 12.146 802 HB3 SER 98 1HB SER 98 -4.649 1.693 13.157 803 HG SER 98 HG SER 98 -1.878 1.283 12.793 804 H LYS 99 H LYS 99 -5.831 1.090 14.993 805 HA LYS 99 HA LYS 99 -6.986 -1.381 15.995 806 HB2 LYS 99 2HB LYS 99 -8.897 -0.026 16.656 807 HB3 LYS 99 1HB LYS 99 -7.413 0.816 17.093 808 HG2 LYS 99 2HG LYS 99 -7.700 2.167 14.943 809 HG3 LYS 99 1HG LYS 99 -9.302 1.449 14.802 810 HD2 LYS 99 2HD LYS 99 -9.468 3.657 15.831 811 HD3 LYS 99 1HD LYS 99 -9.912 2.420 17.011 812 HE2 LYS 99 2HE LYS 99 -7.635 2.584 18.005 813 HE3 LYS 99 1HE LYS 99 -7.228 3.838 16.832 814 HZ1 LYS 99 1HZ LYS 99 -9.344 4.015 18.897 815 HZ2 LYS 99 2HZ LYS 99 -8.971 5.217 17.770 816 HZ3 LYS 99 3HZ LYS 99 -7.840 4.783 18.946 817 H ALA 100 H ALA 100 -6.512 -0.469 12.948 818 HA ALA 100 HA ALA 100 -8.854 -0.869 11.491 819 HB1 ALA 100 1HB ALA 100 -7.295 -1.474 9.644 820 HB2 ALA 100 2HB ALA 100 -5.959 -1.571 10.803 821 HB3 ALA 100 3HB ALA 100 -6.772 -0.027 10.504 822 H SER 101 H SER 101 -10.084 -2.542 12.508 823 HA SER 101 HA SER 101 -9.669 -5.188 11.532 824 HB2 SER 101 2HB SER 101 -8.060 -5.162 13.496 825 HB3 SER 101 1HB SER 101 -9.446 -4.914 14.560 826 HG SER 101 HG SER 101 -8.742 -7.156 13.024 827 H ASN 102 H ASN 102 -11.234 -4.051 14.574 828 HA ASN 102 HA ASN 102 -13.892 -4.541 13.334 829 HB2 ASN 102 2HB ASN 102 -13.080 -4.936 16.252 830 HB3 ASN 102 1HB ASN 102 -14.751 -4.940 15.699 831 HD21 ASN 102 1HD2 ASN 102 -13.399 -7.066 17.044 832 HD22 ASN 102 2HD2 ASN 102 -13.389 -8.427 15.977 833 H LYS 103 H LYS 103 -13.664 -2.354 12.551 834 HA LYS 103 HA LYS 103 -14.711 -0.358 14.430 835 HB2 LYS 103 2HB LYS 103 -12.205 0.087 12.733 836 HB3 LYS 103 1HB LYS 103 -13.113 1.397 13.460 837 HG2 LYS 103 2HG LYS 103 -12.003 -0.784 15.209 838 HG3 LYS 103 1HG LYS 103 -10.930 0.465 14.596 839 HD2 LYS 103 2HD LYS 103 -11.621 1.042 16.819 840 HD3 LYS 103 1HD LYS 103 -12.341 2.189 15.698 841 HE2 LYS 103 2HE LYS 103 -13.979 -0.185 16.582 842 HE3 LYS 103 1HE LYS 103 -13.735 1.148 17.707 843 HZ1 LYS 103 1HZ LYS 103 -15.777 1.314 16.332 844 HZ2 LYS 103 2HZ LYS 103 -14.805 1.527 14.966 845 HZ3 LYS 103 3HZ LYS 103 -14.754 2.652 16.219 846 H ASN 104 H ASN 104 -13.466 -0.633 11.155 847 HA ASN 104 HA ASN 104 -15.752 -0.504 9.611 848 HB2 ASN 104 2HB ASN 104 -16.194 1.783 10.449 849 HB3 ASN 104 1HB ASN 104 -14.534 2.264 10.125 850 HD21 ASN 104 1HD2 ASN 104 -17.582 1.330 8.588 851 HD22 ASN 104 2HD2 ASN 104 -17.255 2.089 7.070 852 H LEU 105 H LEU 105 -12.565 0.832 10.033 853 HA LEU 105 HA LEU 105 -11.648 0.366 7.301 854 HB2 LEU 105 2HB LEU 105 -9.682 1.079 9.490 855 HB3 LEU 105 1HB LEU 105 -9.774 1.668 7.851 856 HG LEU 105 HG LEU 105 -10.007 3.514 9.357 857 HD11 LEU 105 1HD1 LEU 105 -11.433 3.692 7.354 858 HD12 LEU 105 2HD1 LEU 105 -11.970 4.638 8.732 859 HD13 LEU 105 3HD1 LEU 105 -12.815 3.150 8.326 860 HD21 LEU 105 1HD2 LEU 105 -10.665 2.372 11.383 861 HD22 LEU 105 2HD2 LEU 105 -12.298 2.133 10.760 862 HD23 LEU 105 3HD2 LEU 105 -11.707 3.764 11.088 863 H GLY 106 H GLY 106 -10.004 -1.073 6.749 864 HA2 GLY 106 2HA GLY 106 -8.935 -3.101 6.747 865 HA3 GLY 106 1HA GLY 106 -9.036 -3.118 8.505 866 H GLY 107 H GLY 107 -10.231 -4.746 9.305 867 HA2 GLY 107 2HA GLY 107 -11.991 -6.167 9.656 868 HA3 GLY 107 1HA GLY 107 -12.897 -5.316 8.411 869 H GLY 108 H GLY 108 -13.705 -7.152 7.443 870 HA2 GLY 108 2HA GLY 108 -13.779 -8.794 5.840 871 HA3 GLY 108 1HA GLY 108 -12.054 -8.580 5.555 872 H LEU 109 H LEU 109 -10.638 -9.396 7.366 873 HA LEU 109 HA LEU 109 -11.539 -11.556 9.040 874 HB2 LEU 109 2HB LEU 109 -10.264 -13.354 8.006 875 HB3 LEU 109 1HB LEU 109 -11.391 -12.724 6.819 876 HG LEU 109 HG LEU 109 -8.439 -11.930 6.850 877 HD11 LEU 109 1HD1 LEU 109 -8.047 -13.579 5.085 878 HD12 LEU 109 2HD1 LEU 109 -9.704 -14.170 5.246 879 HD13 LEU 109 3HD1 LEU 109 -8.564 -14.357 6.581 880 HD21 LEU 109 1HD2 LEU 109 -10.540 -11.735 4.661 881 HD22 LEU 109 2HD2 LEU 109 -8.839 -11.288 4.500 882 HD23 LEU 109 3HD2 LEU 109 -9.885 -10.393 5.599 883 H ILE 110 H ILE 110 -9.490 -12.680 9.981 884 HA ILE 110 HA ILE 110 -7.207 -10.795 10.266 885 HB ILE 110 HB ILE 110 -6.882 -11.515 12.557 886 HG12 ILE 110 2HG1 ILE 110 -9.146 -13.546 12.128 887 HG13 ILE 110 1HG1 ILE 110 -7.442 -13.918 12.320 888 HG21 ILE 110 1HG2 ILE 110 -9.854 -10.945 12.189 889 HG22 ILE 110 2HG2 ILE 110 -8.575 -9.739 12.363 890 HG23 ILE 110 3HG2 ILE 110 -8.969 -10.801 13.709 891 HD11 ILE 110 1HD1 ILE 110 -8.719 -14.444 14.314 892 HD12 ILE 110 2HD1 ILE 110 -9.226 -12.764 14.471 893 HD13 ILE 110 3HD1 ILE 110 -7.521 -13.198 14.649 894 H MET 111 H MET 111 -5.103 -11.902 10.605 895 HA MET 111 HA MET 111 -4.725 -14.272 9.043 896 HB2 MET 111 2HB MET 111 -2.918 -12.574 9.305 897 HB3 MET 111 1HB MET 111 -2.784 -12.969 11.013 898 HG2 MET 111 2HG MET 111 -2.074 -15.262 10.423 899 HG3 MET 111 1HG MET 111 -2.214 -14.869 8.712 900 HE1 MET 111 1HE MET 111 -0.905 -11.971 8.455 901 HE2 MET 111 2HE MET 111 -0.484 -13.324 7.402 902 HE3 MET 111 3HE MET 111 0.787 -12.398 8.198 903 H SER 112 H SER 112 -5.519 -16.151 9.715 904 HA SER 112 HA SER 112 -5.917 -16.758 12.575 905 HB2 SER 112 2HB SER 112 -7.161 -18.027 10.090 906 HB3 SER 112 1HB SER 112 -7.654 -18.308 11.761 907 HG SER 112 HG SER 112 -7.617 -15.680 10.774 908 H TRP 113 H TRP 113 -5.892 -19.187 13.081 909 HA TRP 113 HA TRP 113 -3.341 -20.363 12.431 910 HB2 TRP 113 2HB TRP 113 -4.495 -20.493 14.717 911 HB3 TRP 113 1HB TRP 113 -5.634 -21.633 14.012 912 HD1 TRP 113 HD1 TRP 113 -1.930 -21.334 15.038 913 HE1 TRP 113 HE1 TRP 113 -0.925 -23.685 15.243 914 HE3 TRP 113 HE3 TRP 113 -5.863 -24.078 13.224 915 HZ2 TRP 113 HZ2 TRP 113 -1.678 -26.347 14.728 916 HZ3 TRP 113 HZ3 TRP 113 -5.635 -26.528 13.114 917 HH2 TRP 113 HH2 TRP 113 -3.582 -27.638 13.850 918 H GLY 114 H GLY 114 -3.139 -22.579 11.580 919 HA2 GLY 114 2HA GLY 114 -3.670 -24.261 10.023 920 HA3 GLY 114 1HA GLY 114 -5.195 -23.455 9.655 921 H ARG 115 H ARG 115 -2.113 -21.858 9.831 922 HA ARG 115 HA ARG 115 -2.259 -21.100 6.964 923 HB2 ARG 115 2HB ARG 115 -1.145 -19.011 7.629 924 HB3 ARG 115 1HB ARG 115 -2.594 -19.234 8.606 925 HG2 ARG 115 2HG ARG 115 -1.212 -20.038 10.490 926 HG3 ARG 115 1HG ARG 115 0.244 -19.852 9.511 927 HD2 ARG 115 2HD ARG 115 -0.199 -17.403 9.372 928 HD3 ARG 115 1HD ARG 115 -1.605 -17.620 10.421 929 HE ARG 115 HE ARG 115 0.024 -18.496 12.115 930 HH11 ARG 115 1HH1 ARG 115 1.100 -16.175 9.692 931 HH12 ARG 115 2HH1 ARG 115 2.397 -15.583 10.678 932 HH21 ARG 115 1HH2 ARG 115 1.749 -17.730 13.364 933 HH22 ARG 115 2HH2 ARG 115 2.761 -16.460 12.756 934 H LEU 116 H LEU 116 -0.068 -20.585 6.015 935 HA LEU 116 HA LEU 116 2.007 -22.470 6.747 936 HB2 LEU 116 2HB LEU 116 1.528 -21.788 4.363 937 HB3 LEU 116 1HB LEU 116 2.138 -20.186 4.738 938 HG LEU 116 HG LEU 116 4.388 -21.210 5.270 939 HD11 LEU 116 1HD1 LEU 116 3.176 -23.768 4.187 940 HD12 LEU 116 2HD1 LEU 116 3.676 -23.468 5.854 941 HD13 LEU 116 3HD1 LEU 116 4.882 -23.503 4.571 942 HD21 LEU 116 1HD2 LEU 116 3.965 -20.220 3.080 943 HD22 LEU 116 2HD2 LEU 116 3.367 -21.766 2.475 944 HD23 LEU 116 3HD2 LEU 116 5.059 -21.596 2.954 945 H PHE 117 H PHE 117 2.420 -21.846 8.870 946 HA PHE 117 HA PHE 117 3.036 -19.168 9.665 947 HB2 PHE 117 2HB PHE 117 3.572 -20.198 11.895 948 HB3 PHE 117 1HB PHE 117 1.973 -20.592 11.291 949 HD1 PHE 117 HD1 PHE 117 1.549 -22.929 10.319 950 HD2 PHE 117 HD2 PHE 117 5.137 -21.964 12.457 951 HE1 PHE 117 HE1 PHE 117 1.994 -25.319 10.669 952 HE2 PHE 117 HE2 PHE 117 5.570 -24.362 12.793 953 HZ PHE 117 HZ PHE 117 4.003 -26.040 11.898 Start of MODEL 13 1 H1 MET 1 1H MET 1 -1.017 48.192 -15.424 2 H2 MET 1 2H MET 1 -2.156 47.903 -14.216 3 H3 MET 1 3H MET 1 -1.939 49.466 -14.815 4 HA MET 1 HA MET 1 -3.940 48.465 -15.677 5 HB2 MET 1 2HB MET 1 -2.531 50.111 -17.046 6 HB3 MET 1 1HB MET 1 -1.815 48.735 -17.871 7 HG2 MET 1 2HG MET 1 -4.765 49.445 -17.913 8 HG3 MET 1 1HG MET 1 -3.606 49.842 -19.180 9 HE1 MET 1 1HE MET 1 -5.924 47.004 -20.707 10 HE2 MET 1 2HE MET 1 -5.332 48.649 -20.944 11 HE3 MET 1 3HE MET 1 -6.401 48.278 -19.587 12 H SER 2 H SER 2 -4.856 46.503 -15.843 13 HA SER 2 HA SER 2 -5.322 44.361 -16.323 14 HB2 SER 2 2HB SER 2 -4.841 44.982 -18.666 15 HB3 SER 2 1HB SER 2 -3.130 44.621 -18.432 16 HG SER 2 HG SER 2 -3.620 42.657 -18.944 17 H GLY 3 H GLY 3 -4.845 43.204 -14.518 18 HA2 GLY 3 2HA GLY 3 -2.202 42.517 -13.628 19 HA3 GLY 3 1HA GLY 3 -3.723 41.894 -13.002 20 H SER 4 H SER 4 -2.675 39.811 -12.862 21 HA SER 4 HA SER 4 -2.724 38.285 -15.385 22 HB2 SER 4 2HB SER 4 -0.569 37.127 -14.694 23 HB3 SER 4 1HB SER 4 -0.366 38.816 -15.149 24 HG SER 4 HG SER 4 -0.839 38.432 -12.457 25 H HIS 5 H HIS 5 -4.281 36.839 -14.995 26 HA HIS 5 HA HIS 5 -4.860 35.794 -12.364 27 HB2 HIS 5 2HB HIS 5 -6.635 36.347 -14.066 28 HB3 HIS 5 1HB HIS 5 -6.042 35.032 -15.074 29 HD1 HIS 5 HD1 HIS 5 -8.078 35.735 -12.017 30 HD2 HIS 5 HD2 HIS 5 -6.748 32.438 -14.165 31 HE1 HIS 5 HE1 HIS 5 -9.362 33.779 -11.114 32 HE2 HIS 5 HE2 HIS 5 -8.606 31.821 -12.497 33 H HIS 6 H HIS 6 -2.869 34.795 -11.906 34 HA HIS 6 HA HIS 6 -2.473 32.107 -13.074 35 HB2 HIS 6 2HB HIS 6 -0.842 33.652 -14.156 36 HB3 HIS 6 1HB HIS 6 -0.250 34.149 -12.577 37 HD1 HIS 6 HD1 HIS 6 1.809 32.958 -11.843 38 HD2 HIS 6 HD2 HIS 6 -0.385 30.661 -14.523 39 HE1 HIS 6 HE1 HIS 6 3.147 30.869 -12.200 40 HE2 HIS 6 HE2 HIS 6 1.687 29.420 -13.636 41 H HIS 7 H HIS 7 -3.379 33.651 -10.456 42 HA HIS 7 HA HIS 7 -1.745 32.766 -8.311 43 HB2 HIS 7 2HB HIS 7 -3.444 34.597 -8.105 44 HB3 HIS 7 1HB HIS 7 -4.734 33.429 -8.346 45 HD1 HIS 7 HD1 HIS 7 -2.425 34.804 -5.801 46 HD2 HIS 7 HD2 HIS 7 -5.245 31.764 -6.050 47 HE1 HIS 7 HE1 HIS 7 -2.951 34.175 -3.438 48 HE2 HIS 7 HE2 HIS 7 -4.725 32.414 -3.612 49 H HIS 8 H HIS 8 -1.245 30.599 -8.410 50 HA HIS 8 HA HIS 8 -3.032 28.516 -9.106 51 HB2 HIS 8 2HB HIS 8 -1.284 26.954 -8.379 52 HB3 HIS 8 1HB HIS 8 -0.556 28.270 -9.283 53 HD1 HIS 8 HD1 HIS 8 1.135 29.769 -8.033 54 HD2 HIS 8 HD2 HIS 8 -0.531 26.814 -5.650 55 HE1 HIS 8 HE1 HIS 8 2.497 29.735 -5.936 56 HE2 HIS 8 HE2 HIS 8 1.581 27.824 -4.599 57 H HIS 9 H HIS 9 -4.361 27.274 -7.895 58 HA HIS 9 HA HIS 9 -4.568 27.557 -4.984 59 HB2 HIS 9 2HB HIS 9 -6.994 28.187 -5.123 60 HB3 HIS 9 1HB HIS 9 -5.939 29.442 -5.766 61 HD1 HIS 9 HD1 HIS 9 -6.165 30.031 -8.246 62 HD2 HIS 9 HD2 HIS 9 -8.554 26.828 -7.127 63 HE1 HIS 9 HE1 HIS 9 -7.657 29.582 -10.207 64 HE2 HIS 9 HE2 HIS 9 -8.894 27.492 -9.584 65 H HIS 10 H HIS 10 -6.264 26.045 -4.120 66 HA HIS 10 HA HIS 10 -5.774 23.464 -5.315 67 HB2 HIS 10 2HB HIS 10 -6.813 22.485 -3.309 68 HB3 HIS 10 1HB HIS 10 -5.593 23.673 -2.881 69 HD1 HIS 10 HD1 HIS 10 -9.081 22.764 -2.311 70 HD2 HIS 10 HD2 HIS 10 -6.757 26.139 -1.820 71 HE1 HIS 10 HE1 HIS 10 -10.400 24.260 -0.823 72 HE2 HIS 10 HE2 HIS 10 -8.897 26.237 -0.421 73 H SER 11 H SER 11 -6.874 23.756 -7.267 74 HA SER 11 HA SER 11 -9.460 22.460 -7.257 75 HB2 SER 11 2HB SER 11 -9.190 25.170 -8.662 76 HB3 SER 11 1HB SER 11 -10.579 24.089 -8.794 77 HG SER 11 HG SER 11 -10.481 24.348 -6.324 78 H SER 12 H SER 12 -6.405 22.869 -8.460 79 HA SER 12 HA SER 12 -6.675 22.781 -11.280 80 HB2 SER 12 2HB SER 12 -4.332 21.936 -9.517 81 HB3 SER 12 1HB SER 12 -4.254 22.199 -11.265 82 HG SER 12 HG SER 12 -4.441 24.051 -9.196 83 H GLY 13 H GLY 13 -6.770 21.131 -12.728 84 HA2 GLY 13 2HA GLY 13 -7.261 19.082 -13.601 85 HA3 GLY 13 1HA GLY 13 -6.322 18.386 -12.280 86 H ILE 14 H ILE 14 -9.313 20.227 -12.591 87 HA ILE 14 HA ILE 14 -11.286 20.278 -11.688 88 HB ILE 14 HB ILE 14 -12.765 18.379 -11.643 89 HG12 ILE 14 2HG1 ILE 14 -10.332 16.569 -12.067 90 HG13 ILE 14 1HG1 ILE 14 -11.385 16.589 -10.663 91 HG21 ILE 14 1HG2 ILE 14 -12.568 17.702 -14.014 92 HG22 ILE 14 2HG2 ILE 14 -10.929 18.351 -14.066 93 HG23 ILE 14 3HG2 ILE 14 -12.296 19.432 -13.790 94 HD11 ILE 14 1HD1 ILE 14 -12.173 15.736 -13.451 95 HD12 ILE 14 2HD1 ILE 14 -13.232 15.769 -12.038 96 HD13 ILE 14 3HD1 ILE 14 -11.843 14.686 -12.070 97 H GLU 15 H GLU 15 -9.733 17.605 -9.822 98 HA GLU 15 HA GLU 15 -9.634 17.094 -7.668 99 HB2 GLU 15 2HB GLU 15 -8.596 19.573 -7.771 100 HB3 GLU 15 1HB GLU 15 -10.017 19.977 -6.823 101 HG2 GLU 15 2HG GLU 15 -7.872 17.977 -6.053 102 HG3 GLU 15 1HG GLU 15 -8.003 19.616 -5.436 103 H GLY 16 H GLY 16 -11.652 19.691 -6.474 104 HA2 GLY 16 2HA GLY 16 -13.791 19.818 -5.695 105 HA3 GLY 16 1HA GLY 16 -14.229 18.910 -7.131 106 H ARG 17 H ARG 17 -12.323 17.907 -4.298 107 HA ARG 17 HA ARG 17 -14.205 15.655 -3.825 108 HB2 ARG 17 2HB ARG 17 -11.185 15.783 -3.404 109 HB3 ARG 17 1HB ARG 17 -12.208 14.404 -3.010 110 HG2 ARG 17 2HG ARG 17 -12.688 14.040 -5.381 111 HG3 ARG 17 1HG ARG 17 -11.762 15.481 -5.813 112 HD2 ARG 17 2HD ARG 17 -10.642 12.971 -4.505 113 HD3 ARG 17 1HD ARG 17 -10.449 13.425 -6.203 114 HE ARG 17 HE ARG 17 -9.424 15.562 -5.017 115 HH11 ARG 17 1HH1 ARG 17 -8.795 12.183 -4.314 116 HH12 ARG 17 2HH1 ARG 17 -7.190 12.481 -3.743 117 HH21 ARG 17 1HH2 ARG 17 -7.354 15.946 -4.245 118 HH22 ARG 17 2HH2 ARG 17 -6.365 14.627 -3.698 119 H GLY 18 H GLY 18 -14.157 14.828 -1.557 120 HA2 GLY 18 2HA GLY 18 -13.994 16.850 0.517 121 HA3 GLY 18 1HA GLY 18 -14.336 15.134 0.722 122 H ARG 19 H ARG 19 -11.839 17.556 0.543 123 HA ARG 19 HA ARG 19 -9.625 15.938 -0.056 124 HB2 ARG 19 2HB ARG 19 -9.826 18.456 -0.341 125 HB3 ARG 19 1HB ARG 19 -9.549 18.614 1.392 126 HG2 ARG 19 2HG ARG 19 -7.473 19.012 0.183 127 HG3 ARG 19 1HG ARG 19 -7.332 17.522 1.123 128 HD2 ARG 19 2HD ARG 19 -7.730 16.181 -0.897 129 HD3 ARG 19 1HD ARG 19 -7.985 17.643 -1.852 130 HE ARG 19 HE ARG 19 -5.389 17.005 -0.568 131 HH11 ARG 19 1HH1 ARG 19 -7.207 17.916 -3.423 132 HH12 ARG 19 2HH1 ARG 19 -5.792 18.174 -4.392 133 HH21 ARG 19 1HH2 ARG 19 -3.542 17.380 -1.847 134 HH22 ARG 19 2HH2 ARG 19 -3.725 17.869 -3.499 135 H MET 20 H MET 20 -10.654 17.281 3.106 136 HA MET 20 HA MET 20 -8.674 15.661 4.520 137 HB2 MET 20 2HB MET 20 -10.635 17.753 5.532 138 HB3 MET 20 1HB MET 20 -9.614 16.793 6.595 139 HG2 MET 20 2HG MET 20 -7.614 17.696 5.389 140 HG3 MET 20 1HG MET 20 -8.699 18.772 4.507 141 HE1 MET 20 1HE MET 20 -7.310 17.782 8.074 142 HE2 MET 20 2HE MET 20 -9.055 17.669 8.327 143 HE3 MET 20 3HE MET 20 -8.126 18.957 9.096 144 H LYS 21 H LYS 21 -11.756 15.182 3.366 145 HA LYS 21 HA LYS 21 -13.273 13.526 3.521 146 HB2 LYS 21 2HB LYS 21 -11.308 12.011 3.541 147 HB3 LYS 21 1HB LYS 21 -11.214 12.139 5.293 148 HG2 LYS 21 2HG LYS 21 -13.442 11.035 5.473 149 HG3 LYS 21 1HG LYS 21 -13.483 10.877 3.711 150 HD2 LYS 21 2HD LYS 21 -11.411 9.489 3.822 151 HD3 LYS 21 1HD LYS 21 -11.435 9.620 5.579 152 HE2 LYS 21 2HE LYS 21 -12.328 7.477 4.963 153 HE3 LYS 21 1HE LYS 21 -13.658 8.465 5.564 154 HZ1 LYS 21 1HZ LYS 21 -13.018 7.950 2.717 155 HZ2 LYS 21 2HZ LYS 21 -14.271 8.925 3.265 156 HZ3 LYS 21 3HZ LYS 21 -14.290 7.269 3.588 157 H LYS 22 H LYS 22 -15.145 13.671 4.628 158 HA LYS 22 HA LYS 22 -15.186 14.916 7.242 159 HB2 LYS 22 2HB LYS 22 -17.517 14.001 5.486 160 HB3 LYS 22 1HB LYS 22 -17.630 15.050 6.894 161 HG2 LYS 22 2HG LYS 22 -16.344 15.696 4.223 162 HG3 LYS 22 1HG LYS 22 -17.804 16.410 4.907 163 HD2 LYS 22 2HD LYS 22 -14.979 16.740 6.010 164 HD3 LYS 22 1HD LYS 22 -15.857 17.941 5.066 165 HE2 LYS 22 2HE LYS 22 -17.507 18.200 6.857 166 HE3 LYS 22 1HE LYS 22 -16.745 16.903 7.783 167 HZ1 LYS 22 1HZ LYS 22 -15.424 19.461 7.048 168 HZ2 LYS 22 2HZ LYS 22 -14.770 18.238 8.011 169 HZ3 LYS 22 3HZ LYS 22 -16.103 19.118 8.558 170 H LYS 23 H LYS 23 -14.242 12.035 6.992 171 HA LYS 23 HA LYS 23 -15.926 10.869 9.096 172 HB2 LYS 23 2HB LYS 23 -15.120 9.422 6.528 173 HB3 LYS 23 1HB LYS 23 -15.783 8.620 7.952 174 HG2 LYS 23 2HG LYS 23 -17.850 9.992 7.739 175 HG3 LYS 23 1HG LYS 23 -17.193 10.716 6.268 176 HD2 LYS 23 2HD LYS 23 -17.175 8.478 5.191 177 HD3 LYS 23 1HD LYS 23 -17.840 7.764 6.666 178 HE2 LYS 23 2HE LYS 23 -19.874 9.125 6.419 179 HE3 LYS 23 1HE LYS 23 -19.202 9.893 4.978 180 HZ1 LYS 23 1HZ LYS 23 -19.152 7.696 3.932 181 HZ2 LYS 23 2HZ LYS 23 -20.713 8.178 4.352 182 HZ3 LYS 23 3HZ LYS 23 -19.902 7.035 5.291 183 H GLN 24 H GLN 24 -12.870 10.511 7.216 184 HA GLN 24 HA GLN 24 -11.452 9.767 9.722 185 HB2 GLN 24 2HB GLN 24 -11.023 8.416 7.014 186 HB3 GLN 24 1HB GLN 24 -10.108 8.097 8.487 187 HG2 GLN 24 2HG GLN 24 -12.112 7.160 9.547 188 HG3 GLN 24 1HG GLN 24 -13.073 7.541 8.118 189 HE21 GLN 24 1HE2 GLN 24 -13.654 5.356 7.854 190 HE22 GLN 24 2HE2 GLN 24 -12.549 4.167 7.269 191 H ILE 25 H ILE 25 -10.175 11.465 10.038 192 HA ILE 25 HA ILE 25 -8.945 12.974 7.842 193 HB ILE 25 HB ILE 25 -9.104 13.438 10.871 194 HG12 ILE 25 2HG1 ILE 25 -10.163 15.624 10.338 195 HG13 ILE 25 1HG1 ILE 25 -9.979 15.358 8.619 196 HG21 ILE 25 1HG2 ILE 25 -7.695 15.456 10.700 197 HG22 ILE 25 2HG2 ILE 25 -7.390 15.096 9.002 198 HG23 ILE 25 3HG2 ILE 25 -6.796 14.006 10.251 199 HD11 ILE 25 1HD1 ILE 25 -12.246 15.067 9.336 200 HD12 ILE 25 2HD1 ILE 25 -11.778 13.831 10.498 201 HD13 ILE 25 3HD1 ILE 25 -11.614 13.530 8.761 202 H GLU 26 H GLU 26 -8.031 11.118 10.703 203 HA GLU 26 HA GLU 26 -5.228 11.438 10.576 204 HB2 GLU 26 2HB GLU 26 -6.442 10.873 12.657 205 HB3 GLU 26 1HB GLU 26 -6.976 9.353 11.964 206 HG2 GLU 26 2HG GLU 26 -5.217 8.936 13.556 207 HG3 GLU 26 1HG GLU 26 -4.650 8.544 11.931 208 H PHE 27 H PHE 27 -7.366 8.755 9.655 209 HA PHE 27 HA PHE 27 -5.350 6.875 9.068 210 HB2 PHE 27 2HB PHE 27 -7.972 6.553 9.492 211 HB3 PHE 27 1HB PHE 27 -8.073 6.639 7.743 212 HD1 PHE 27 HD1 PHE 27 -6.214 5.034 6.501 213 HD2 PHE 27 HD2 PHE 27 -7.771 4.435 10.447 214 HE1 PHE 27 HE1 PHE 27 -5.554 2.673 6.427 215 HE2 PHE 27 HE2 PHE 27 -7.120 2.076 10.339 216 HZ PHE 27 HZ PHE 27 -6.011 1.194 8.310 217 H GLU 28 H GLU 28 -7.258 9.022 6.978 218 HA GLU 28 HA GLU 28 -6.206 8.057 4.542 219 HB2 GLU 28 2HB GLU 28 -7.925 10.364 5.298 220 HB3 GLU 28 1HB GLU 28 -7.040 10.519 3.790 221 HG2 GLU 28 2HG GLU 28 -8.063 8.072 3.382 222 HG3 GLU 28 1HG GLU 28 -9.292 8.684 4.492 223 H ASN 29 H ASN 29 -5.407 10.988 6.522 224 HA ASN 29 HA ASN 29 -3.500 12.056 4.789 225 HB2 ASN 29 2HB ASN 29 -3.702 12.231 7.817 226 HB3 ASN 29 1HB ASN 29 -2.390 13.025 6.947 227 HD21 ASN 29 1HD2 ASN 29 -4.257 14.392 8.503 228 HD22 ASN 29 2HD2 ASN 29 -5.154 15.435 7.461 229 H GLU 30 H GLU 30 -3.077 9.579 7.304 230 HA GLU 30 HA GLU 30 -0.219 9.503 7.115 231 HB2 GLU 30 2HB GLU 30 -1.785 8.712 9.088 232 HB3 GLU 30 1HB GLU 30 -1.841 7.189 8.217 233 HG2 GLU 30 2HG GLU 30 -0.129 6.973 9.859 234 HG3 GLU 30 1HG GLU 30 0.695 7.145 8.308 235 H LEU 31 H LEU 31 -2.805 7.469 5.801 236 HA LEU 31 HA LEU 31 -1.115 5.432 4.667 237 HB2 LEU 31 2HB LEU 31 -3.468 4.815 4.994 238 HB3 LEU 31 1HB LEU 31 -4.003 6.153 4.008 239 HG LEU 31 HG LEU 31 -2.661 4.780 2.063 240 HD11 LEU 31 1HD1 LEU 31 -3.605 2.494 3.815 241 HD12 LEU 31 2HD1 LEU 31 -1.936 2.865 3.394 242 HD13 LEU 31 3HD1 LEU 31 -3.060 2.375 2.150 243 HD21 LEU 31 1HD2 LEU 31 -4.808 3.764 1.319 244 HD22 LEU 31 2HD2 LEU 31 -4.961 5.460 1.744 245 HD23 LEU 31 3HD2 LEU 31 -5.543 4.213 2.857 246 H ARG 32 H ARG 32 -2.804 8.180 3.264 247 HA ARG 32 HA ARG 32 -1.948 7.940 0.603 248 HB2 ARG 32 2HB ARG 32 -3.934 9.161 1.255 249 HB3 ARG 32 1HB ARG 32 -2.994 10.296 2.207 250 HG2 ARG 32 2HG ARG 32 -2.032 11.248 0.174 251 HG3 ARG 32 1HG ARG 32 -2.868 10.041 -0.812 252 HD2 ARG 32 2HD ARG 32 -3.996 12.273 -0.795 253 HD3 ARG 32 1HD ARG 32 -5.022 10.961 -0.201 254 HE ARG 32 HE ARG 32 -3.617 12.906 1.547 255 HH11 ARG 32 1HH1 ARG 32 -6.420 10.908 0.875 256 HH12 ARG 32 2HH1 ARG 32 -7.275 11.402 2.299 257 HH21 ARG 32 1HH2 ARG 32 -4.709 13.520 3.424 258 HH22 ARG 32 2HH2 ARG 32 -6.291 12.889 3.750 259 H SER 33 H SER 33 -0.460 9.513 3.421 260 HA SER 33 HA SER 33 1.492 11.052 2.043 261 HB2 SER 33 2HB SER 33 0.837 11.507 4.377 262 HB3 SER 33 1HB SER 33 1.544 9.975 4.891 263 HG SER 33 HG SER 33 3.258 11.155 5.167 264 H MET 34 H MET 34 1.840 7.831 3.731 265 HA MET 34 HA MET 34 4.535 7.492 2.763 266 HB2 MET 34 2HB MET 34 2.695 5.384 3.975 267 HB3 MET 34 1HB MET 34 4.380 5.109 3.577 268 HG2 MET 34 2HG MET 34 4.593 5.493 5.823 269 HG3 MET 34 1HG MET 34 4.718 7.160 5.284 270 HE1 MET 34 1HE MET 34 1.628 4.711 5.633 271 HE2 MET 34 2HE MET 34 0.971 5.267 7.174 272 HE3 MET 34 3HE MET 34 2.552 4.487 7.118 273 H LEU 35 H LEU 35 1.411 6.805 1.409 274 HA LEU 35 HA LEU 35 2.317 4.809 -0.464 275 HB2 LEU 35 2HB LEU 35 -0.194 5.360 0.266 276 HB3 LEU 35 1HB LEU 35 -0.134 6.529 -1.026 277 HG LEU 35 HG LEU 35 0.311 3.534 -1.481 278 HD11 LEU 35 1HD1 LEU 35 -2.279 5.081 -1.751 279 HD12 LEU 35 2HD1 LEU 35 -1.912 3.842 -0.551 280 HD13 LEU 35 3HD1 LEU 35 -2.005 3.407 -2.250 281 HD21 LEU 35 1HD2 LEU 35 1.203 4.920 -3.296 282 HD22 LEU 35 2HD2 LEU 35 -0.330 5.777 -3.428 283 HD23 LEU 35 3HD2 LEU 35 -0.236 4.061 -3.839 284 H ALA 36 H ALA 36 1.837 8.338 -0.580 285 HA ALA 36 HA ALA 36 2.658 8.824 -3.229 286 HB1 ALA 36 1HB ALA 36 3.180 11.125 -2.428 287 HB2 ALA 36 2HB ALA 36 2.924 10.575 -0.769 288 HB3 ALA 36 3HB ALA 36 1.594 10.555 -1.924 289 H THR 37 H THR 37 4.515 8.701 -0.191 290 HA THR 37 HA THR 37 7.090 9.202 -1.114 291 HB THR 37 HB THR 37 6.249 7.276 1.107 292 HG1 THR 37 HG1 THR 37 6.357 10.055 0.921 293 HG21 THR 37 1HG2 THR 37 8.459 7.755 2.118 294 HG22 THR 37 2HG2 THR 37 8.892 8.747 0.725 295 HG23 THR 37 3HG2 THR 37 8.651 7.010 0.528 296 H ALA 38 H ALA 38 5.242 6.177 -0.990 297 HA ALA 38 HA ALA 38 7.365 4.435 -1.752 298 HB1 ALA 38 1HB ALA 38 5.657 2.701 -1.794 299 HB2 ALA 38 2HB ALA 38 4.382 3.918 -1.757 300 HB3 ALA 38 3HB ALA 38 5.445 3.731 -0.373 301 H LEU 39 H LEU 39 4.834 6.140 -3.618 302 HA LEU 39 HA LEU 39 5.292 4.788 -6.101 303 HB2 LEU 39 2HB LEU 39 4.319 7.654 -5.705 304 HB3 LEU 39 1HB LEU 39 4.237 6.758 -7.210 305 HG LEU 39 HG LEU 39 2.601 6.167 -4.706 306 HD11 LEU 39 1HD1 LEU 39 1.758 7.390 -7.337 307 HD12 LEU 39 2HD1 LEU 39 1.903 8.226 -5.787 308 HD13 LEU 39 3HD1 LEU 39 0.688 6.968 -5.995 309 HD21 LEU 39 1HD2 LEU 39 1.266 4.658 -6.260 310 HD22 LEU 39 2HD2 LEU 39 2.838 4.044 -5.801 311 HD23 LEU 39 3HD2 LEU 39 2.609 4.761 -7.401 312 H GLU 40 H GLU 40 6.774 7.547 -4.509 313 HA GLU 40 HA GLU 40 8.540 8.242 -6.703 314 HB2 GLU 40 2HB GLU 40 8.490 9.169 -3.796 315 HB3 GLU 40 1HB GLU 40 9.529 9.846 -5.055 316 HG2 GLU 40 2HG GLU 40 7.576 10.607 -6.318 317 HG3 GLU 40 1HG GLU 40 6.493 9.856 -5.143 318 H LYS 41 H LYS 41 8.637 6.097 -3.993 319 HA LYS 41 HA LYS 41 11.493 5.564 -4.041 320 HB2 LYS 41 2HB LYS 41 9.118 4.207 -2.696 321 HB3 LYS 41 1HB LYS 41 10.740 3.521 -2.619 322 HG2 LYS 41 2HG LYS 41 9.959 6.272 -1.612 323 HG3 LYS 41 1HG LYS 41 10.157 4.821 -0.612 324 HD2 LYS 41 2HD LYS 41 12.581 4.705 -1.578 325 HD3 LYS 41 1HD LYS 41 12.309 6.353 -2.146 326 HE2 LYS 41 2HE LYS 41 13.560 6.160 0.038 327 HE3 LYS 41 1HE LYS 41 12.126 7.179 0.127 328 HZ1 LYS 41 1HZ LYS 41 10.932 5.366 1.126 329 HZ2 LYS 41 2HZ LYS 41 12.342 5.658 2.006 330 HZ3 LYS 41 3HZ LYS 41 12.256 4.334 0.964 331 H ASP 42 H ASP 42 12.517 3.824 -5.029 332 HA ASP 42 HA ASP 42 11.431 2.640 -7.364 333 HB2 ASP 42 2HB ASP 42 13.898 1.972 -5.695 334 HB3 ASP 42 1HB ASP 42 13.487 1.066 -7.149 335 H ILE 43 H ILE 43 9.698 1.354 -7.222 336 HA ILE 43 HA ILE 43 9.596 -0.834 -5.218 337 HB ILE 43 HB ILE 43 7.081 -0.732 -5.492 338 HG12 ILE 43 2HG1 ILE 43 7.681 1.834 -7.051 339 HG13 ILE 43 1HG1 ILE 43 6.859 0.402 -7.663 340 HG21 ILE 43 1HG2 ILE 43 8.193 0.330 -3.569 341 HG22 ILE 43 2HG2 ILE 43 6.754 1.226 -4.034 342 HG23 ILE 43 3HG2 ILE 43 8.352 1.829 -4.474 343 HD11 ILE 43 1HD1 ILE 43 5.247 2.121 -7.225 344 HD12 ILE 43 2HD1 ILE 43 5.824 2.317 -5.572 345 HD13 ILE 43 3HD1 ILE 43 5.025 0.819 -6.057 346 H SER 44 H SER 44 9.318 -2.853 -5.929 347 HA SER 44 HA SER 44 10.065 -3.605 -8.555 348 HB2 SER 44 2HB SER 44 8.739 -5.397 -6.442 349 HB3 SER 44 1HB SER 44 9.773 -5.928 -7.764 350 HG SER 44 HG SER 44 10.559 -5.418 -5.406 351 H GLN 45 H GLN 45 8.768 -4.628 -10.249 352 HA GLN 45 HA GLN 45 6.577 -3.319 -11.086 353 HB2 GLN 45 2HB GLN 45 7.851 -4.796 -12.530 354 HB3 GLN 45 1HB GLN 45 7.244 -6.222 -11.697 355 HG2 GLN 45 2HG GLN 45 4.951 -5.689 -12.510 356 HG3 GLN 45 1HG GLN 45 5.596 -4.294 -13.367 357 HE21 GLN 45 1HE2 GLN 45 6.881 -4.627 -15.210 358 HE22 GLN 45 2HE2 GLN 45 6.877 -6.134 -16.056 359 H GLU 46 H GLU 46 6.423 -6.154 -8.949 360 HA GLU 46 HA GLU 46 3.584 -6.583 -9.191 361 HB2 GLU 46 2HB GLU 46 5.587 -7.676 -7.164 362 HB3 GLU 46 1HB GLU 46 3.915 -8.202 -7.301 363 HG2 GLU 46 2HG GLU 46 5.267 -9.859 -8.368 364 HG3 GLU 46 1HG GLU 46 4.402 -8.988 -9.634 365 H GLU 47 H GLU 47 5.651 -4.748 -7.132 366 HA GLU 47 HA GLU 47 3.823 -4.428 -4.899 367 HB2 GLU 47 2HB GLU 47 6.566 -4.486 -4.998 368 HB3 GLU 47 1HB GLU 47 6.356 -2.763 -5.222 369 HG2 GLU 47 2HG GLU 47 5.459 -4.396 -2.822 370 HG3 GLU 47 1HG GLU 47 6.840 -3.326 -2.902 371 H ARG 48 H ARG 48 5.145 -2.657 -7.595 372 HA ARG 48 HA ARG 48 3.857 -0.194 -7.377 373 HB2 ARG 48 2HB ARG 48 5.783 -0.776 -8.922 374 HB3 ARG 48 1HB ARG 48 4.607 -1.593 -9.950 375 HG2 ARG 48 2HG ARG 48 3.434 0.509 -10.342 376 HG3 ARG 48 1HG ARG 48 4.504 1.345 -9.217 377 HD2 ARG 48 2HD ARG 48 6.431 0.771 -10.719 378 HD3 ARG 48 1HD ARG 48 5.279 0.101 -11.873 379 HE ARG 48 HE ARG 48 4.398 2.659 -11.427 380 HH11 ARG 48 1HH1 ARG 48 7.446 1.261 -12.549 381 HH12 ARG 48 2HH1 ARG 48 7.851 2.635 -13.529 382 HH21 ARG 48 1HH2 ARG 48 4.959 4.461 -12.690 383 HH22 ARG 48 2HH2 ARG 48 6.437 4.453 -13.606 384 H ASN 49 H ASN 49 2.913 -3.267 -8.906 385 HA ASN 49 HA ASN 49 0.443 -2.486 -9.968 386 HB2 ASN 49 2HB ASN 49 1.329 -5.197 -8.929 387 HB3 ASN 49 1HB ASN 49 -0.244 -4.945 -9.685 388 HD21 ASN 49 1HD2 ASN 49 1.465 -6.759 -10.685 389 HD22 ASN 49 2HD2 ASN 49 2.093 -6.230 -12.206 390 H ALA 50 H ALA 50 1.284 -3.604 -6.693 391 HA ALA 50 HA ALA 50 -1.323 -3.875 -5.638 392 HB1 ALA 50 1HB ALA 50 -0.234 -3.843 -3.421 393 HB2 ALA 50 2HB ALA 50 1.256 -3.238 -4.154 394 HB3 ALA 50 3HB ALA 50 0.669 -4.853 -4.554 395 H LEU 51 H LEU 51 0.984 -1.121 -5.437 396 HA LEU 51 HA LEU 51 -0.877 0.521 -3.941 397 HB2 LEU 51 2HB LEU 51 1.713 1.407 -5.261 398 HB3 LEU 51 1HB LEU 51 0.835 2.254 -3.999 399 HG LEU 51 HG LEU 51 2.349 -0.376 -3.673 400 HD11 LEU 51 1HD1 LEU 51 3.796 1.615 -3.910 401 HD12 LEU 51 2HD1 LEU 51 3.909 0.887 -2.317 402 HD13 LEU 51 3HD1 LEU 51 2.973 2.368 -2.546 403 HD21 LEU 51 1HD2 LEU 51 0.742 1.182 -1.610 404 HD22 LEU 51 2HD2 LEU 51 1.967 -0.015 -1.191 405 HD23 LEU 51 3HD2 LEU 51 0.545 -0.512 -2.086 406 H ASN 52 H ASN 52 -0.104 0.186 -7.355 407 HA ASN 52 HA ASN 52 -1.422 2.532 -8.257 408 HB2 ASN 52 2HB ASN 52 -0.626 -0.012 -9.658 409 HB3 ASN 52 1HB ASN 52 -1.691 1.122 -10.474 410 HD21 ASN 52 1HD2 ASN 52 -0.306 1.734 -12.031 411 HD22 ASN 52 2HD2 ASN 52 1.125 2.643 -11.745 412 H ILE 53 H ILE 53 -2.477 -0.831 -7.827 413 HA ILE 53 HA ILE 53 -5.172 -0.611 -8.615 414 HB ILE 53 HB ILE 53 -3.826 -2.512 -6.641 415 HG12 ILE 53 2HG1 ILE 53 -4.973 -3.052 -9.428 416 HG13 ILE 53 1HG1 ILE 53 -3.273 -2.789 -9.077 417 HG21 ILE 53 1HG2 ILE 53 -5.910 -3.902 -6.624 418 HG22 ILE 53 2HG2 ILE 53 -6.755 -2.609 -7.478 419 HG23 ILE 53 3HG2 ILE 53 -6.131 -2.331 -5.853 420 HD11 ILE 53 1HD1 ILE 53 -3.241 -4.821 -7.707 421 HD12 ILE 53 2HD1 ILE 53 -3.729 -5.136 -9.370 422 HD13 ILE 53 3HD1 ILE 53 -4.944 -5.101 -8.090 423 H ALA 54 H ALA 54 -3.546 -0.137 -5.501 424 HA ALA 54 HA ALA 54 -5.723 0.341 -3.825 425 HB1 ALA 54 1HB ALA 54 -4.108 1.405 -2.313 426 HB2 ALA 54 2HB ALA 54 -2.930 1.522 -3.626 427 HB3 ALA 54 3HB ALA 54 -3.423 -0.061 -3.020 428 H GLU 55 H GLU 55 -3.717 2.715 -5.643 429 HA GLU 55 HA GLU 55 -5.014 5.036 -4.644 430 HB2 GLU 55 2HB GLU 55 -2.765 5.204 -5.550 431 HB3 GLU 55 1HB GLU 55 -3.313 4.650 -7.124 432 HG2 GLU 55 2HG GLU 55 -4.674 6.713 -7.384 433 HG3 GLU 55 1HG GLU 55 -4.075 7.294 -5.830 434 H LYS 56 H LYS 56 -5.458 3.149 -7.630 435 HA LYS 56 HA LYS 56 -7.282 4.996 -8.841 436 HB2 LYS 56 2HB LYS 56 -6.780 2.066 -9.507 437 HB3 LYS 56 1HB LYS 56 -7.787 3.143 -10.465 438 HG2 LYS 56 2HG LYS 56 -4.781 3.344 -10.044 439 HG3 LYS 56 1HG LYS 56 -5.633 2.946 -11.533 440 HD2 LYS 56 2HD LYS 56 -6.547 5.213 -11.669 441 HD3 LYS 56 1HD LYS 56 -5.833 5.637 -10.110 442 HE2 LYS 56 2HE LYS 56 -4.288 4.928 -12.633 443 HE3 LYS 56 1HE LYS 56 -4.521 6.552 -11.983 444 HZ1 LYS 56 1HZ LYS 56 -3.027 4.328 -10.693 445 HZ2 LYS 56 2HZ LYS 56 -3.326 5.826 -9.964 446 HZ3 LYS 56 3HZ LYS 56 -2.379 5.739 -11.359 447 H ALA 57 H ALA 57 -7.585 2.277 -6.682 448 HA ALA 57 HA ALA 57 -10.457 2.081 -6.773 449 HB1 ALA 57 1HB ALA 57 -10.209 0.512 -4.938 450 HB2 ALA 57 2HB ALA 57 -8.518 0.983 -4.717 451 HB3 ALA 57 3HB ALA 57 -9.019 0.150 -6.187 452 H LEU 58 H LEU 58 -8.087 3.959 -4.872 453 HA LEU 58 HA LEU 58 -9.900 4.946 -2.887 454 HB2 LEU 58 2HB LEU 58 -7.629 6.603 -4.049 455 HB3 LEU 58 1HB LEU 58 -8.390 6.815 -2.485 456 HG LEU 58 HG LEU 58 -6.364 4.652 -3.303 457 HD11 LEU 58 1HD1 LEU 58 -5.979 6.860 -1.244 458 HD12 LEU 58 2HD1 LEU 58 -5.241 6.776 -2.854 459 HD13 LEU 58 3HD1 LEU 58 -4.840 5.576 -1.642 460 HD21 LEU 58 1HD2 LEU 58 -6.265 3.881 -0.926 461 HD22 LEU 58 2HD2 LEU 58 -7.743 3.453 -1.748 462 HD23 LEU 58 3HD2 LEU 58 -7.736 4.786 -0.586 463 H ASP 59 H ASP 59 -9.005 6.056 -6.156 464 HA ASP 59 HA ASP 59 -10.567 8.409 -6.257 465 HB2 ASP 59 2HB ASP 59 -9.902 6.562 -8.597 466 HB3 ASP 59 1HB ASP 59 -10.481 8.217 -8.737 467 H ASN 60 H ASN 60 -11.346 5.055 -7.171 468 HA ASN 60 HA ASN 60 -14.069 5.685 -7.931 469 HB2 ASN 60 2HB ASN 60 -12.741 3.876 -9.070 470 HB3 ASN 60 1HB ASN 60 -12.788 2.916 -7.600 471 HD21 ASN 60 1HD2 ASN 60 -14.787 1.973 -6.982 472 HD22 ASN 60 2HD2 ASN 60 -16.088 1.787 -8.100 473 H SER 61 H SER 61 -12.456 4.983 -4.965 474 HA SER 61 HA SER 61 -13.102 4.620 -2.851 475 HB2 SER 61 2HB SER 61 -14.034 6.871 -3.262 476 HB3 SER 61 1HB SER 61 -15.562 6.153 -3.757 477 HG SER 61 HG SER 61 -14.538 5.462 -1.248 478 H GLU 62 H GLU 62 -13.290 2.245 -3.767 479 HA GLU 62 HA GLU 62 -15.897 1.081 -3.802 480 HB2 GLU 62 2HB GLU 62 -13.118 -0.128 -3.669 481 HB3 GLU 62 1HB GLU 62 -14.538 -1.149 -3.437 482 HG2 GLU 62 2HG GLU 62 -13.992 0.582 -5.873 483 HG3 GLU 62 1HG GLU 62 -13.702 -1.157 -5.769 484 H TYR 63 H TYR 63 -13.382 0.511 -1.251 485 HA TYR 63 HA TYR 63 -15.012 1.371 0.906 486 HB2 TYR 63 2HB TYR 63 -14.652 -1.635 0.562 487 HB3 TYR 63 1HB TYR 63 -14.842 -0.936 2.151 488 HD1 TYR 63 HD1 TYR 63 -17.016 0.623 2.410 489 HD2 TYR 63 HD2 TYR 63 -16.580 -2.499 -0.483 490 HE1 TYR 63 HE1 TYR 63 -19.451 0.429 2.241 491 HE2 TYR 63 HE2 TYR 63 -19.025 -2.678 -0.656 492 HH TYR 63 HH TYR 63 -20.992 -2.169 0.774 493 H LEU 64 H LEU 64 -13.819 0.921 2.985 494 HA LEU 64 HA LEU 64 -11.003 1.611 2.555 495 HB2 LEU 64 2HB LEU 64 -12.788 1.982 4.963 496 HB3 LEU 64 1HB LEU 64 -11.131 1.626 5.322 497 HG LEU 64 HG LEU 64 -11.583 3.987 5.562 498 HD11 LEU 64 1HD1 LEU 64 -9.308 3.249 4.790 499 HD12 LEU 64 2HD1 LEU 64 -9.714 4.938 4.565 500 HD13 LEU 64 3HD1 LEU 64 -9.724 3.857 3.184 501 HD21 LEU 64 1HD2 LEU 64 -12.099 5.562 3.793 502 HD22 LEU 64 2HD2 LEU 64 -13.404 4.413 3.985 503 HD23 LEU 64 3HD2 LEU 64 -12.290 4.270 2.618 504 HA PRO 65 HA PRO 65 -10.500 -2.573 5.019 505 HB2 PRO 65 2HB PRO 65 -12.662 -4.278 5.150 506 HB3 PRO 65 1HB PRO 65 -12.325 -3.066 6.406 507 HG2 PRO 65 2HG PRO 65 -14.242 -2.880 4.095 508 HG3 PRO 65 1HG PRO 65 -14.504 -2.469 5.808 509 HD2 PRO 65 2HD PRO 65 -13.947 -0.561 3.997 510 HD3 PRO 65 1HD PRO 65 -13.323 -0.460 5.658 511 H LYS 66 H LYS 66 -12.414 -2.071 2.096 512 HA LYS 66 HA LYS 66 -11.853 -4.618 0.888 513 HB2 LYS 66 2HB LYS 66 -13.725 -3.461 -0.049 514 HB3 LYS 66 1HB LYS 66 -12.828 -1.974 -0.262 515 HG2 LYS 66 2HG LYS 66 -13.199 -2.977 -2.424 516 HG3 LYS 66 1HG LYS 66 -11.474 -3.063 -2.048 517 HD2 LYS 66 2HD LYS 66 -11.882 -5.469 -1.269 518 HD3 LYS 66 1HD LYS 66 -13.512 -5.330 -1.940 519 HE2 LYS 66 2HE LYS 66 -12.477 -4.813 -4.168 520 HE3 LYS 66 1HE LYS 66 -10.889 -5.109 -3.453 521 HZ1 LYS 66 1HZ LYS 66 -11.596 -7.370 -2.957 522 HZ2 LYS 66 2HZ LYS 66 -11.701 -7.048 -4.608 523 HZ3 LYS 66 3HZ LYS 66 -13.100 -7.079 -3.666 524 H ILE 67 H ILE 67 -10.441 -1.326 0.626 525 HA ILE 67 HA ILE 67 -8.423 -2.111 -1.255 526 HB ILE 67 HB ILE 67 -8.615 0.395 0.478 527 HG12 ILE 67 2HG1 ILE 67 -9.544 -0.189 -2.358 528 HG13 ILE 67 1HG1 ILE 67 -10.577 0.075 -0.976 529 HG21 ILE 67 1HG2 ILE 67 -6.304 0.076 -0.345 530 HG22 ILE 67 2HG2 ILE 67 -7.067 1.434 -1.173 531 HG23 ILE 67 3HG2 ILE 67 -6.907 -0.119 -1.993 532 HD11 ILE 67 1HD1 ILE 67 -10.424 1.996 -2.514 533 HD12 ILE 67 2HD1 ILE 67 -8.727 2.159 -2.084 534 HD13 ILE 67 3HD1 ILE 67 -9.971 2.353 -0.851 535 H ILE 68 H ILE 68 -8.551 -1.756 2.250 536 HA ILE 68 HA ILE 68 -5.732 -1.912 2.716 537 HB ILE 68 HB ILE 68 -8.126 -2.231 4.555 538 HG12 ILE 68 2HG1 ILE 68 -5.956 -0.078 4.534 539 HG13 ILE 68 1HG1 ILE 68 -7.478 0.085 3.667 540 HG21 ILE 68 1HG2 ILE 68 -6.434 -2.162 6.475 541 HG22 ILE 68 2HG2 ILE 68 -5.197 -2.541 5.274 542 HG23 ILE 68 3HG2 ILE 68 -6.508 -3.675 5.571 543 HD11 ILE 68 1HD1 ILE 68 -7.581 1.261 5.740 544 HD12 ILE 68 2HD1 ILE 68 -7.136 -0.187 6.643 545 HD13 ILE 68 3HD1 ILE 68 -8.679 -0.109 5.788 546 H LEU 69 H LEU 69 -8.401 -4.306 2.771 547 HA LEU 69 HA LEU 69 -6.690 -6.451 3.726 548 HB2 LEU 69 2HB LEU 69 -9.538 -6.484 2.683 549 HB3 LEU 69 1HB LEU 69 -8.682 -7.964 3.084 550 HG LEU 69 HG LEU 69 -9.686 -5.779 5.001 551 HD11 LEU 69 1HD1 LEU 69 -11.303 -7.579 4.521 552 HD12 LEU 69 2HD1 LEU 69 -10.822 -7.510 6.205 553 HD13 LEU 69 3HD1 LEU 69 -10.162 -8.769 5.172 554 HD21 LEU 69 1HD2 LEU 69 -7.666 -7.908 5.814 555 HD22 LEU 69 2HD2 LEU 69 -8.543 -6.834 6.904 556 HD23 LEU 69 3HD2 LEU 69 -7.396 -6.159 5.758 557 H ASN 70 H ASN 70 -7.841 -5.277 0.624 558 HA ASN 70 HA ASN 70 -6.922 -7.502 -0.940 559 HB2 ASN 70 2HB ASN 70 -8.683 -6.087 -1.830 560 HB3 ASN 70 1HB ASN 70 -7.674 -4.655 -1.743 561 HD21 ASN 70 1HD2 ASN 70 -6.092 -4.328 -3.343 562 HD22 ASN 70 2HD2 ASN 70 -6.086 -5.236 -4.813 563 H LEU 71 H LEU 71 -5.473 -4.418 0.068 564 HA LEU 71 HA LEU 71 -3.085 -4.635 -1.529 565 HB2 LEU 71 2HB LEU 71 -4.246 -2.539 -0.280 566 HB3 LEU 71 1HB LEU 71 -3.175 -3.001 1.021 567 HG LEU 71 HG LEU 71 -2.304 -2.160 -1.777 568 HD11 LEU 71 1HD1 LEU 71 -3.262 -0.290 -0.530 569 HD12 LEU 71 2HD1 LEU 71 -1.523 -0.085 -0.721 570 HD13 LEU 71 3HD1 LEU 71 -2.181 -0.614 0.832 571 HD21 LEU 71 1HD2 LEU 71 -0.020 -2.057 -0.874 572 HD22 LEU 71 2HD2 LEU 71 -0.664 -3.692 -0.789 573 HD23 LEU 71 3HD2 LEU 71 -0.591 -2.702 0.669 574 H ARG 72 H ARG 72 -4.128 -5.454 1.717 575 HA ARG 72 HA ARG 72 -1.615 -6.455 2.670 576 HB2 ARG 72 2HB ARG 72 -3.409 -5.571 4.212 577 HB3 ARG 72 1HB ARG 72 -4.407 -6.973 3.849 578 HG2 ARG 72 2HG ARG 72 -2.657 -8.444 4.820 579 HG3 ARG 72 1HG ARG 72 -1.694 -7.010 5.197 580 HD2 ARG 72 2HD ARG 72 -3.634 -6.175 6.606 581 HD3 ARG 72 1HD ARG 72 -4.415 -7.744 6.342 582 HE ARG 72 HE ARG 72 -1.779 -8.079 7.301 583 HH11 ARG 72 1HH1 ARG 72 -4.942 -7.175 8.505 584 HH12 ARG 72 2HH1 ARG 72 -4.578 -7.692 10.121 585 HH21 ARG 72 1HH2 ARG 72 -1.314 -8.677 9.399 586 HH22 ARG 72 2HH2 ARG 72 -2.532 -8.540 10.636 587 H LYS 73 H LYS 73 -4.234 -7.792 0.746 588 HA LYS 73 HA LYS 73 -3.504 -10.567 1.194 589 HB2 LYS 73 2HB LYS 73 -5.876 -9.725 0.642 590 HB3 LYS 73 1HB LYS 73 -5.327 -9.456 -1.001 591 HG2 LYS 73 2HG LYS 73 -5.027 -12.197 0.231 592 HG3 LYS 73 1HG LYS 73 -6.620 -11.680 -0.317 593 HD2 LYS 73 2HD LYS 73 -5.764 -11.380 -2.600 594 HD3 LYS 73 1HD LYS 73 -4.131 -11.786 -2.067 595 HE2 LYS 73 2HE LYS 73 -4.906 -14.052 -1.458 596 HE3 LYS 73 1HE LYS 73 -6.529 -13.647 -2.021 597 HZ1 LYS 73 1HZ LYS 73 -4.085 -13.663 -3.705 598 HZ2 LYS 73 2HZ LYS 73 -5.659 -13.334 -4.227 599 HZ3 LYS 73 3HZ LYS 73 -5.262 -14.874 -3.664 600 H ALA 74 H ALA 74 -2.772 -7.941 -0.991 601 HA ALA 74 HA ALA 74 -1.360 -9.512 -2.941 602 HB1 ALA 74 1HB ALA 74 -0.580 -7.319 -3.786 603 HB2 ALA 74 2HB ALA 74 -1.282 -6.528 -2.370 604 HB3 ALA 74 3HB ALA 74 -2.326 -7.342 -3.535 605 H LEU 75 H LEU 75 -0.419 -7.720 0.041 606 HA LEU 75 HA LEU 75 2.415 -8.181 -0.533 607 HB2 LEU 75 2HB LEU 75 1.332 -6.701 1.877 608 HB3 LEU 75 1HB LEU 75 2.991 -6.721 1.307 609 HG LEU 75 HG LEU 75 0.630 -5.151 0.259 610 HD11 LEU 75 1HD1 LEU 75 3.451 -4.343 0.981 611 HD12 LEU 75 2HD1 LEU 75 1.987 -4.094 1.935 612 HD13 LEU 75 3HD1 LEU 75 2.177 -3.264 0.398 613 HD21 LEU 75 1HD2 LEU 75 1.957 -4.400 -1.720 614 HD22 LEU 75 2HD2 LEU 75 1.428 -6.067 -1.834 615 HD23 LEU 75 3HD2 LEU 75 3.110 -5.702 -1.421 616 H THR 76 H THR 76 0.020 -9.518 1.649 617 HA THR 76 HA THR 76 1.750 -10.609 3.559 618 HB THR 76 HB THR 76 -1.030 -11.459 2.720 619 HG1 THR 76 HG1 THR 76 -1.478 -10.026 4.142 620 HG21 THR 76 1HG2 THR 76 -1.124 -12.974 4.681 621 HG22 THR 76 2HG2 THR 76 0.609 -12.747 4.927 622 HG23 THR 76 3HG2 THR 76 0.026 -13.553 3.471 623 HA PRO 77 HA PRO 77 2.297 -14.649 0.850 624 HB2 PRO 77 2HB PRO 77 1.952 -13.668 -1.953 625 HB3 PRO 77 1HB PRO 77 1.383 -15.172 -1.209 626 HG2 PRO 77 2HG PRO 77 -0.324 -13.212 -1.814 627 HG3 PRO 77 1HG PRO 77 -0.524 -14.195 -0.344 628 HD2 PRO 77 2HD PRO 77 0.611 -11.415 -0.604 629 HD3 PRO 77 1HD PRO 77 -0.522 -12.067 0.586 630 H LEU 78 H LEU 78 3.157 -11.523 -0.678 631 HA LEU 78 HA LEU 78 5.821 -12.349 -1.409 632 HB2 LEU 78 2HB LEU 78 5.002 -9.443 -1.020 633 HB3 LEU 78 1HB LEU 78 6.279 -10.091 -2.046 634 HG LEU 78 HG LEU 78 3.271 -10.374 -2.579 635 HD11 LEU 78 1HD1 LEU 78 5.262 -8.660 -4.104 636 HD12 LEU 78 2HD1 LEU 78 4.073 -8.051 -2.956 637 HD13 LEU 78 3HD1 LEU 78 3.537 -8.840 -4.429 638 HD21 LEU 78 1HD2 LEU 78 3.851 -11.283 -4.781 639 HD22 LEU 78 2HD2 LEU 78 4.492 -12.310 -3.516 640 HD23 LEU 78 3HD2 LEU 78 5.571 -11.228 -4.390 641 H ALA 79 H ALA 79 4.382 -11.248 1.531 642 HA ALA 79 HA ALA 79 6.804 -10.427 2.860 643 HB1 ALA 79 1HB ALA 79 5.434 -10.421 4.897 644 HB2 ALA 79 2HB ALA 79 4.117 -11.219 4.030 645 HB3 ALA 79 3HB ALA 79 4.605 -9.581 3.584 646 H ILE 80 H ILE 80 4.682 -13.300 3.091 647 HA ILE 80 HA ILE 80 6.283 -14.859 4.812 648 HB ILE 80 HB ILE 80 4.228 -15.783 2.733 649 HG12 ILE 80 2HG1 ILE 80 3.905 -15.263 5.741 650 HG13 ILE 80 1HG1 ILE 80 3.221 -14.299 4.438 651 HG21 ILE 80 1HG2 ILE 80 5.441 -17.387 5.022 652 HG22 ILE 80 2HG2 ILE 80 5.696 -17.664 3.299 653 HG23 ILE 80 3HG2 ILE 80 4.102 -17.923 4.003 654 HD11 ILE 80 1HD1 ILE 80 2.491 -17.136 5.140 655 HD12 ILE 80 2HD1 ILE 80 1.838 -16.219 3.778 656 HD13 ILE 80 3HD1 ILE 80 1.534 -15.681 5.431 657 H ASN 81 H ASN 81 6.067 -14.814 1.257 658 HA ASN 81 HA ASN 81 8.295 -16.651 0.930 659 HB2 ASN 81 2HB ASN 81 6.541 -15.211 -1.117 660 HB3 ASN 81 1HB ASN 81 7.914 -16.225 -1.562 661 HD21 ASN 81 1HD2 ASN 81 4.676 -16.214 -0.244 662 HD22 ASN 81 2HD2 ASN 81 4.421 -17.917 -0.362 663 H ARG 82 H ARG 82 8.071 -13.288 1.547 664 HA ARG 82 HA ARG 82 9.837 -12.022 2.239 665 HB2 ARG 82 2HB ARG 82 11.603 -14.356 1.347 666 HB3 ARG 82 1HB ARG 82 12.162 -13.001 2.323 667 HG2 ARG 82 2HG ARG 82 10.797 -13.690 4.203 668 HG3 ARG 82 1HG ARG 82 9.963 -14.901 3.234 669 HD2 ARG 82 2HD ARG 82 12.239 -16.044 2.955 670 HD3 ARG 82 1HD ARG 82 12.815 -14.966 4.239 671 HE ARG 82 HE ARG 82 10.545 -16.080 5.263 672 HH11 ARG 82 1HH1 ARG 82 13.520 -17.436 3.982 673 HH12 ARG 82 2HH1 ARG 82 13.433 -18.857 4.970 674 HH21 ARG 82 1HH2 ARG 82 10.414 -17.946 6.504 675 HH22 ARG 82 2HH2 ARG 82 11.663 -19.144 6.413 676 H THR 83 H THR 83 8.869 -12.056 -0.617 677 HA THR 83 HA THR 83 11.182 -11.152 -2.193 678 HB THR 83 HB THR 83 9.552 -11.202 -4.117 679 HG1 THR 83 HG1 THR 83 7.485 -11.477 -3.742 680 HG21 THR 83 1HG2 THR 83 10.896 -13.209 -3.708 681 HG22 THR 83 2HG2 THR 83 9.268 -13.663 -4.221 682 HG23 THR 83 3HG2 THR 83 9.716 -13.775 -2.521 683 H LEU 84 H LEU 84 8.642 -9.832 -0.312 684 HA LEU 84 HA LEU 84 8.047 -7.450 -1.720 685 HB2 LEU 84 2HB LEU 84 6.706 -8.371 0.196 686 HB3 LEU 84 1HB LEU 84 8.023 -7.972 1.282 687 HG LEU 84 HG LEU 84 7.596 -5.488 0.628 688 HD11 LEU 84 1HD1 LEU 84 5.030 -6.671 -0.450 689 HD12 LEU 84 2HD1 LEU 84 6.192 -5.688 -1.327 690 HD13 LEU 84 3HD1 LEU 84 5.237 -4.973 -0.045 691 HD21 LEU 84 1HD2 LEU 84 7.012 -6.390 2.825 692 HD22 LEU 84 2HD2 LEU 84 5.465 -6.969 2.202 693 HD23 LEU 84 3HD2 LEU 84 5.798 -5.235 2.280 694 H ASN 85 H ASN 85 8.933 -5.364 -1.500 695 HA ASN 85 HA ASN 85 11.813 -5.321 -1.254 696 HB2 ASN 85 2HB ASN 85 10.670 -3.928 -2.982 697 HB3 ASN 85 1HB ASN 85 9.959 -2.929 -1.712 698 HD21 ASN 85 1HD2 ASN 85 10.938 -1.094 -2.527 699 HD22 ASN 85 2HD2 ASN 85 12.627 -0.795 -2.378 700 H HIS 86 H HIS 86 9.143 -4.270 0.766 701 HA HIS 86 HA HIS 86 8.944 -3.844 2.969 702 HB2 HIS 86 2HB HIS 86 11.839 -4.759 3.135 703 HB3 HIS 86 1HB HIS 86 10.835 -4.438 4.544 704 HD1 HIS 86 HD1 HIS 86 11.785 -7.097 2.255 705 HD2 HIS 86 HD2 HIS 86 8.508 -6.269 4.656 706 HE1 HIS 86 HE1 HIS 86 10.593 -9.279 2.554 707 HE2 HIS 86 HE2 HIS 86 8.744 -8.780 4.172 708 H ASP 87 H ASP 87 10.783 -1.925 1.014 709 HA ASP 87 HA ASP 87 11.928 -0.081 2.863 710 HB2 ASP 87 2HB ASP 87 12.907 -0.199 0.657 711 HB3 ASP 87 1HB ASP 87 11.381 0.115 -0.152 712 H LEU 88 H LEU 88 8.701 -0.659 2.206 713 HA LEU 88 HA LEU 88 7.940 1.869 3.514 714 HB2 LEU 88 2HB LEU 88 5.612 1.514 2.460 715 HB3 LEU 88 1HB LEU 88 6.866 2.259 1.500 716 HG LEU 88 HG LEU 88 6.439 -0.725 1.161 717 HD11 LEU 88 1HD1 LEU 88 4.629 1.345 -0.095 718 HD12 LEU 88 2HD1 LEU 88 4.163 0.147 1.114 719 HD13 LEU 88 3HD1 LEU 88 4.678 -0.377 -0.487 720 HD21 LEU 88 1HD2 LEU 88 7.104 -0.233 -1.146 721 HD22 LEU 88 2HD2 LEU 88 8.289 0.438 -0.032 722 HD23 LEU 88 3HD2 LEU 88 7.113 1.497 -0.807 723 H SER 89 H SER 89 8.881 -0.309 4.805 724 HA SER 89 HA SER 89 7.126 -2.211 5.769 725 HB2 SER 89 2HB SER 89 8.649 -2.204 7.833 726 HB3 SER 89 1HB SER 89 9.446 -2.438 6.275 727 HG SER 89 HG SER 89 9.523 -0.256 8.014 728 H GLU 90 H GLU 90 7.342 1.165 6.566 729 HA GLU 90 HA GLU 90 5.874 1.178 9.026 730 HB2 GLU 90 2HB GLU 90 6.539 3.385 7.021 731 HB3 GLU 90 1HB GLU 90 5.665 3.702 8.514 732 HG2 GLU 90 2HG GLU 90 7.600 3.086 9.859 733 HG3 GLU 90 1HG GLU 90 8.483 2.539 8.433 734 H LEU 91 H LEU 91 4.982 1.451 5.599 735 HA LEU 91 HA LEU 91 2.272 2.296 6.016 736 HB2 LEU 91 2HB LEU 91 3.447 2.669 3.872 737 HB3 LEU 91 1HB LEU 91 3.566 0.937 3.613 738 HG LEU 91 HG LEU 91 1.051 0.814 3.466 739 HD11 LEU 91 1HD1 LEU 91 0.509 2.781 4.837 740 HD12 LEU 91 2HD1 LEU 91 -0.278 2.842 3.266 741 HD13 LEU 91 3HD1 LEU 91 1.139 3.842 3.576 742 HD21 LEU 91 1HD2 LEU 91 2.362 2.721 1.503 743 HD22 LEU 91 2HD2 LEU 91 0.854 1.837 1.234 744 HD23 LEU 91 3HD2 LEU 91 2.368 0.959 1.419 745 H TYR 92 H TYR 92 3.866 -0.822 5.435 746 HA TYR 92 HA TYR 92 1.606 -2.498 5.503 747 HB2 TYR 92 2HB TYR 92 3.741 -3.247 4.569 748 HB3 TYR 92 1HB TYR 92 4.511 -3.073 6.138 749 HD1 TYR 92 HD1 TYR 92 1.303 -4.773 5.072 750 HD2 TYR 92 HD2 TYR 92 5.148 -5.206 6.915 751 HE1 TYR 92 HE1 TYR 92 0.809 -7.128 5.562 752 HE2 TYR 92 HE2 TYR 92 4.640 -7.553 7.404 753 HH TYR 92 HH TYR 92 2.624 -8.961 7.712 754 H LYS 93 H LYS 93 3.668 -1.126 7.984 755 HA LYS 93 HA LYS 93 2.610 -2.647 10.211 756 HB2 LYS 93 2HB LYS 93 4.588 -0.404 9.929 757 HB3 LYS 93 1HB LYS 93 3.764 -0.510 11.476 758 HG2 LYS 93 2HG LYS 93 4.594 -2.810 11.781 759 HG3 LYS 93 1HG LYS 93 5.436 -2.733 10.229 760 HD2 LYS 93 2HD LYS 93 6.813 -0.863 11.056 761 HD3 LYS 93 1HD LYS 93 5.954 -0.891 12.600 762 HE2 LYS 93 2HE LYS 93 8.145 -2.008 12.761 763 HE3 LYS 93 1HE LYS 93 6.827 -3.142 13.052 764 HZ1 LYS 93 1HZ LYS 93 8.227 -2.849 10.451 765 HZ2 LYS 93 2HZ LYS 93 7.086 -4.022 10.861 766 HZ3 LYS 93 3HZ LYS 93 8.597 -4.021 11.606 767 H PHE 94 H PHE 94 1.826 0.354 8.578 768 HA PHE 94 HA PHE 94 0.317 1.557 10.672 769 HB2 PHE 94 2HB PHE 94 1.213 3.032 9.000 770 HB3 PHE 94 1HB PHE 94 0.492 2.111 7.683 771 HD1 PHE 94 HD1 PHE 94 -1.562 2.837 6.775 772 HD2 PHE 94 HD2 PHE 94 -0.473 4.152 10.699 773 HE1 PHE 94 HE1 PHE 94 -3.560 4.240 6.869 774 HE2 PHE 94 HE2 PHE 94 -2.473 5.572 10.769 775 HZ PHE 94 HZ PHE 94 -4.015 5.622 8.853 776 H ILE 95 H ILE 95 -0.614 -0.312 7.750 777 HA ILE 95 HA ILE 95 -3.438 -0.075 8.327 778 HB ILE 95 HB ILE 95 -3.917 -1.317 6.390 779 HG12 ILE 95 2HG1 ILE 95 -1.145 -2.546 6.564 780 HG13 ILE 95 1HG1 ILE 95 -2.699 -3.349 6.548 781 HG21 ILE 95 1HG2 ILE 95 -3.045 0.894 5.900 782 HG22 ILE 95 2HG2 ILE 95 -2.614 -0.212 4.599 783 HG23 ILE 95 3HG2 ILE 95 -1.399 0.269 5.788 784 HD11 ILE 95 1HD1 ILE 95 -2.986 -2.798 4.200 785 HD12 ILE 95 2HD1 ILE 95 -1.501 -3.707 4.477 786 HD13 ILE 95 3HD1 ILE 95 -1.425 -1.971 4.187 787 H THR 96 H THR 96 -1.117 -1.874 9.856 788 HA THR 96 HA THR 96 -3.021 -3.967 10.753 789 HB THR 96 HB THR 96 -0.927 -5.088 11.702 790 HG1 THR 96 HG1 THR 96 0.461 -3.315 9.965 791 HG21 THR 96 1HG2 THR 96 -1.903 -5.822 9.509 792 HG22 THR 96 2HG2 THR 96 -0.158 -6.049 9.606 793 HG23 THR 96 3HG2 THR 96 -0.818 -4.701 8.692 794 H SER 97 H SER 97 -2.137 -0.939 11.644 795 HA SER 97 HA SER 97 -1.243 -1.230 14.360 796 HB2 SER 97 2HB SER 97 -2.401 1.190 12.905 797 HB3 SER 97 1HB SER 97 -1.637 1.234 14.495 798 HG SER 97 HG SER 97 -0.108 0.022 12.585 799 H SER 98 H SER 98 -2.511 0.133 16.102 800 HA SER 98 HA SER 98 -4.870 -1.227 16.837 801 HB2 SER 98 2HB SER 98 -3.793 1.408 17.921 802 HB3 SER 98 1HB SER 98 -4.972 0.368 18.722 803 HG SER 98 HG SER 98 -3.403 -0.826 19.422 804 H LYS 99 H LYS 99 -4.428 1.490 14.774 805 HA LYS 99 HA LYS 99 -7.052 2.580 14.789 806 HB2 LYS 99 2HB LYS 99 -4.959 2.443 12.567 807 HB3 LYS 99 1HB LYS 99 -6.420 3.436 12.506 808 HG2 LYS 99 2HG LYS 99 -5.655 4.690 14.485 809 HG3 LYS 99 1HG LYS 99 -4.195 3.697 14.552 810 HD2 LYS 99 2HD LYS 99 -3.503 4.570 12.348 811 HD3 LYS 99 1HD LYS 99 -4.976 5.548 12.265 812 HE2 LYS 99 2HE LYS 99 -3.054 6.903 12.982 813 HE3 LYS 99 1HE LYS 99 -4.257 6.797 14.266 814 HZ1 LYS 99 1HZ LYS 99 -2.011 6.507 15.107 815 HZ2 LYS 99 2HZ LYS 99 -1.777 5.179 14.098 816 HZ3 LYS 99 3HZ LYS 99 -2.915 5.099 15.340 817 H ALA 100 H ALA 100 -5.485 0.102 12.784 818 HA ALA 100 HA ALA 100 -8.106 -0.796 11.721 819 HB1 ALA 100 1HB ALA 100 -6.829 -1.780 9.890 820 HB2 ALA 100 2HB ALA 100 -5.306 -1.285 10.637 821 HB3 ALA 100 3HB ALA 100 -6.442 -0.077 10.055 822 H SER 101 H SER 101 -7.093 -1.471 14.390 823 HA SER 101 HA SER 101 -6.621 -4.372 14.203 824 HB2 SER 101 2HB SER 101 -5.266 -2.980 15.823 825 HB3 SER 101 1HB SER 101 -6.752 -2.598 16.695 826 HG SER 101 HG SER 101 -6.979 -4.794 17.174 827 H ASN 102 H ASN 102 -9.092 -3.237 13.278 828 HA ASN 102 HA ASN 102 -11.152 -3.824 15.294 829 HB2 ASN 102 2HB ASN 102 -11.253 -2.497 12.537 830 HB3 ASN 102 1HB ASN 102 -12.692 -2.844 13.500 831 HD21 ASN 102 1HD2 ASN 102 -11.400 -0.288 12.606 832 HD22 ASN 102 2HD2 ASN 102 -11.271 0.639 14.057 833 H LYS 103 H LYS 103 -13.097 -4.959 14.421 834 HA LYS 103 HA LYS 103 -12.524 -7.591 13.539 835 HB2 LYS 103 2HB LYS 103 -15.198 -6.109 13.573 836 HB3 LYS 103 1HB LYS 103 -14.999 -7.855 13.447 837 HG2 LYS 103 2HG LYS 103 -14.075 -7.941 15.714 838 HG3 LYS 103 1HG LYS 103 -14.173 -6.180 15.844 839 HD2 LYS 103 2HD LYS 103 -16.064 -7.201 17.019 840 HD3 LYS 103 1HD LYS 103 -16.663 -6.325 15.604 841 HE2 LYS 103 2HE LYS 103 -16.715 -8.524 14.367 842 HE3 LYS 103 1HE LYS 103 -16.269 -9.327 15.874 843 HZ1 LYS 103 1HZ LYS 103 -18.306 -8.467 16.862 844 HZ2 LYS 103 2HZ LYS 103 -18.628 -9.414 15.506 845 HZ3 LYS 103 3HZ LYS 103 -18.723 -7.734 15.402 846 H ASN 104 H ASN 104 -11.556 -7.660 11.519 847 HA ASN 104 HA ASN 104 -11.472 -8.000 9.310 848 HB2 ASN 104 2HB ASN 104 -13.849 -8.569 9.262 849 HB3 ASN 104 1HB ASN 104 -14.289 -6.872 9.157 850 HD21 ASN 104 1HD2 ASN 104 -13.040 -9.623 7.410 851 HD22 ASN 104 2HD2 ASN 104 -13.156 -8.928 5.832 852 H LEU 105 H LEU 105 -12.507 -4.778 10.352 853 HA LEU 105 HA LEU 105 -11.646 -3.356 8.039 854 HB2 LEU 105 2HB LEU 105 -13.205 -2.579 10.047 855 HB3 LEU 105 1HB LEU 105 -11.713 -2.117 10.810 856 HG LEU 105 HG LEU 105 -12.252 -0.073 9.937 857 HD11 LEU 105 1HD1 LEU 105 -11.100 -1.032 7.324 858 HD12 LEU 105 2HD1 LEU 105 -10.154 -0.624 8.751 859 HD13 LEU 105 3HD1 LEU 105 -11.132 0.610 7.969 860 HD21 LEU 105 1HD2 LEU 105 -13.675 0.389 8.002 861 HD22 LEU 105 2HD2 LEU 105 -14.448 -0.748 9.103 862 HD23 LEU 105 3HD2 LEU 105 -13.723 -1.330 7.604 863 H GLY 106 H GLY 106 -9.553 -4.157 7.575 864 HA2 GLY 106 2HA GLY 106 -7.267 -3.893 7.520 865 HA3 GLY 106 1HA GLY 106 -7.315 -3.022 9.044 866 H GLY 107 H GLY 107 -8.474 -4.760 10.780 867 HA2 GLY 107 2HA GLY 107 -6.422 -6.657 11.357 868 HA3 GLY 107 1HA GLY 107 -7.911 -6.393 12.247 869 H GLY 108 H GLY 108 -6.644 -7.859 9.337 870 HA2 GLY 108 2HA GLY 108 -7.842 -10.386 9.667 871 HA3 GLY 108 1HA GLY 108 -8.771 -9.432 8.502 872 H LEU 109 H LEU 109 -7.375 -11.790 7.844 873 HA LEU 109 HA LEU 109 -6.027 -12.687 6.275 874 HB2 LEU 109 2HB LEU 109 -6.155 -9.847 5.215 875 HB3 LEU 109 1HB LEU 109 -5.244 -11.085 4.385 876 HG LEU 109 HG LEU 109 -7.343 -12.401 4.065 877 HD11 LEU 109 1HD1 LEU 109 -8.682 -11.597 5.941 878 HD12 LEU 109 2HD1 LEU 109 -9.541 -11.386 4.417 879 HD13 LEU 109 3HD1 LEU 109 -8.786 -9.996 5.204 880 HD21 LEU 109 1HD2 LEU 109 -6.504 -10.929 2.303 881 HD22 LEU 109 2HD2 LEU 109 -7.444 -9.584 2.956 882 HD23 LEU 109 3HD2 LEU 109 -8.265 -10.998 2.289 883 H ILE 110 H ILE 110 -4.841 -12.201 8.633 884 HA ILE 110 HA ILE 110 -2.464 -10.652 8.564 885 HB ILE 110 HB ILE 110 -1.889 -11.660 10.734 886 HG12 ILE 110 2HG1 ILE 110 -4.154 -13.659 10.205 887 HG13 ILE 110 1HG1 ILE 110 -2.441 -14.035 10.279 888 HG21 ILE 110 1HG2 ILE 110 -4.874 -11.061 10.551 889 HG22 ILE 110 2HG2 ILE 110 -3.584 -9.907 10.907 890 HG23 ILE 110 3HG2 ILE 110 -3.971 -11.175 12.061 891 HD11 ILE 110 1HD1 ILE 110 -4.110 -13.088 12.621 892 HD12 ILE 110 2HD1 ILE 110 -2.411 -13.576 12.670 893 HD13 ILE 110 3HD1 ILE 110 -3.655 -14.755 12.275 894 H MET 111 H MET 111 -0.341 -11.259 8.525 895 HA MET 111 HA MET 111 0.427 -13.404 6.761 896 HB2 MET 111 2HB MET 111 1.583 -11.284 6.580 897 HB3 MET 111 1HB MET 111 1.966 -11.276 8.291 898 HG2 MET 111 2HG MET 111 3.446 -13.308 7.848 899 HG3 MET 111 1HG MET 111 3.185 -12.995 6.129 900 HE1 MET 111 1HE MET 111 3.415 -10.119 8.858 901 HE2 MET 111 2HE MET 111 5.163 -9.896 8.939 902 HE3 MET 111 3HE MET 111 4.441 -11.398 9.511 903 H SER 112 H SER 112 1.327 -12.508 10.087 904 HA SER 112 HA SER 112 1.377 -15.168 11.112 905 HB2 SER 112 2HB SER 112 3.451 -15.279 9.720 906 HB3 SER 112 1HB SER 112 4.087 -13.855 10.543 907 HG SER 112 HG SER 112 3.945 -16.483 11.380 908 H TRP 113 H TRP 113 1.722 -15.174 13.337 909 HA TRP 113 HA TRP 113 1.346 -12.746 14.797 910 HB2 TRP 113 2HB TRP 113 0.397 -14.818 15.665 911 HB3 TRP 113 1HB TRP 113 1.973 -15.598 15.682 912 HD1 TRP 113 HD1 TRP 113 0.078 -12.742 17.543 913 HE1 TRP 113 HE1 TRP 113 1.052 -12.568 19.919 914 HE3 TRP 113 HE3 TRP 113 3.886 -16.155 17.134 915 HZ2 TRP 113 HZ2 TRP 113 3.131 -13.719 21.425 916 HZ3 TRP 113 HZ3 TRP 113 5.325 -16.560 19.095 917 HH2 TRP 113 HH2 TRP 113 4.952 -15.362 21.199 918 H GLY 114 H GLY 114 4.116 -14.874 14.115 919 HA2 GLY 114 2HA GLY 114 6.064 -12.863 14.221 920 HA3 GLY 114 1HA GLY 114 6.017 -13.628 15.808 921 H ARG 115 H ARG 115 5.894 -14.687 12.389 922 HA ARG 115 HA ARG 115 8.369 -16.178 12.621 923 HB2 ARG 115 2HB ARG 115 6.764 -17.790 13.598 924 HB3 ARG 115 1HB ARG 115 5.740 -17.680 12.170 925 HG2 ARG 115 2HG ARG 115 7.441 -18.766 10.801 926 HG3 ARG 115 1HG ARG 115 8.606 -18.713 12.127 927 HD2 ARG 115 2HD ARG 115 6.017 -20.307 12.116 928 HD3 ARG 115 1HD ARG 115 7.635 -20.966 11.845 929 HE ARG 115 HE ARG 115 7.318 -19.526 14.340 930 HH11 ARG 115 1HH1 ARG 115 7.108 -22.705 12.837 931 HH12 ARG 115 2HH1 ARG 115 7.298 -23.543 14.344 932 HH21 ARG 115 1HH2 ARG 115 7.620 -20.639 16.272 933 HH22 ARG 115 2HH2 ARG 115 7.587 -22.376 16.285 934 H LEU 116 H LEU 116 9.055 -14.874 10.969 935 HA LEU 116 HA LEU 116 7.735 -15.030 8.313 936 HB2 LEU 116 2HB LEU 116 9.732 -13.034 9.467 937 HB3 LEU 116 1HB LEU 116 9.346 -13.104 7.760 938 HG LEU 116 HG LEU 116 6.971 -12.495 8.289 939 HD11 LEU 116 1HD1 LEU 116 6.798 -13.299 10.596 940 HD12 LEU 116 2HD1 LEU 116 6.367 -11.596 10.484 941 HD13 LEU 116 3HD1 LEU 116 7.941 -12.063 11.126 942 HD21 LEU 116 1HD2 LEU 116 7.414 -10.132 8.746 943 HD22 LEU 116 2HD2 LEU 116 8.585 -10.784 7.603 944 HD23 LEU 116 3HD2 LEU 116 9.049 -10.525 9.288 945 H PHE 117 H PHE 117 10.785 -15.425 10.058 946 HA PHE 117 HA PHE 117 12.197 -16.368 7.624 947 HB2 PHE 117 2HB PHE 117 13.367 -15.043 10.126 948 HB3 PHE 117 1HB PHE 117 14.253 -15.497 8.673 949 HD1 PHE 117 HD1 PHE 117 13.566 -14.369 6.444 950 HD2 PHE 117 HD2 PHE 117 12.418 -12.855 10.283 951 HE1 PHE 117 HE1 PHE 117 13.109 -12.172 5.458 952 HE2 PHE 117 HE2 PHE 117 11.960 -10.654 9.276 953 HZ PHE 117 HZ PHE 117 12.311 -10.314 6.861 Start of MODEL 14 1 H1 MET 1 1H MET 1 16.315 27.140 -27.346 2 H2 MET 1 2H MET 1 16.541 28.786 -27.645 3 H3 MET 1 3H MET 1 15.700 28.282 -26.272 4 HA MET 1 HA MET 1 18.544 27.722 -26.821 5 HB2 MET 1 2HB MET 1 19.006 29.377 -24.997 6 HB3 MET 1 1HB MET 1 18.251 30.109 -26.406 7 HG2 MET 1 2HG MET 1 16.062 30.075 -25.224 8 HG3 MET 1 1HG MET 1 16.867 29.410 -23.801 9 HE1 MET 1 1HE MET 1 15.692 31.473 -22.446 10 HE2 MET 1 2HE MET 1 15.031 32.123 -23.949 11 HE3 MET 1 3HE MET 1 15.957 33.165 -22.868 12 H SER 2 H SER 2 19.672 26.880 -24.902 13 HA SER 2 HA SER 2 18.134 24.977 -23.355 14 HB2 SER 2 2HB SER 2 20.411 24.345 -22.442 15 HB3 SER 2 1HB SER 2 20.316 24.282 -24.201 16 HG SER 2 HG SER 2 21.738 26.004 -22.543 17 H GLY 3 H GLY 3 19.076 24.843 -20.896 18 HA2 GLY 3 2HA GLY 3 19.051 25.796 -18.792 19 HA3 GLY 3 1HA GLY 3 19.115 27.391 -19.524 20 H SER 4 H SER 4 16.688 25.107 -20.474 21 HA SER 4 HA SER 4 14.492 26.777 -19.688 22 HB2 SER 4 2HB SER 4 14.438 23.863 -20.612 23 HB3 SER 4 1HB SER 4 13.124 25.042 -20.710 24 HG SER 4 HG SER 4 14.876 26.251 -22.006 25 H HIS 5 H HIS 5 12.760 26.099 -18.162 26 HA HIS 5 HA HIS 5 13.635 25.249 -15.639 27 HB2 HIS 5 2HB HIS 5 11.563 26.536 -15.904 28 HB3 HIS 5 1HB HIS 5 10.810 25.224 -16.804 29 HD1 HIS 5 HD1 HIS 5 9.799 23.310 -15.468 30 HD2 HIS 5 HD2 HIS 5 11.769 26.061 -13.079 31 HE1 HIS 5 HE1 HIS 5 9.179 22.711 -13.120 32 HE2 HIS 5 HE2 HIS 5 10.211 24.517 -11.725 33 H HIS 6 H HIS 6 14.352 23.274 -15.099 34 HA HIS 6 HA HIS 6 12.947 20.847 -16.050 35 HB2 HIS 6 2HB HIS 6 15.956 21.303 -15.936 36 HB3 HIS 6 1HB HIS 6 15.268 19.683 -15.864 37 HD1 HIS 6 HD1 HIS 6 16.008 22.438 -18.257 38 HD2 HIS 6 HD2 HIS 6 13.938 18.835 -18.260 39 HE1 HIS 6 HE1 HIS 6 15.589 21.902 -20.668 40 HE2 HIS 6 HE2 HIS 6 14.153 19.848 -20.620 41 H HIS 7 H HIS 7 11.777 20.583 -14.266 42 HA HIS 7 HA HIS 7 13.201 19.874 -11.767 43 HB2 HIS 7 2HB HIS 7 11.631 21.815 -11.446 44 HB3 HIS 7 1HB HIS 7 10.300 20.830 -12.040 45 HD1 HIS 7 HD1 HIS 7 12.149 21.668 -8.984 46 HD2 HIS 7 HD2 HIS 7 9.620 18.613 -10.205 47 HE1 HIS 7 HE1 HIS 7 11.394 20.531 -6.881 48 HE2 HIS 7 HE2 HIS 7 10.101 18.533 -7.677 49 H HIS 8 H HIS 8 13.525 17.710 -12.256 50 HA HIS 8 HA HIS 8 11.623 15.873 -13.182 51 HB2 HIS 8 2HB HIS 8 14.009 15.272 -12.942 52 HB3 HIS 8 1HB HIS 8 13.901 15.444 -11.193 53 HD1 HIS 8 HD1 HIS 8 12.387 13.623 -9.937 54 HD2 HIS 8 HD2 HIS 8 13.303 12.748 -13.892 55 HE1 HIS 8 HE1 HIS 8 11.859 11.191 -10.222 56 HE2 HIS 8 HE2 HIS 8 12.634 10.651 -12.546 57 H HIS 9 H HIS 9 9.626 15.620 -12.281 58 HA HIS 9 HA HIS 9 9.008 16.242 -9.580 59 HB2 HIS 9 2HB HIS 9 6.793 15.257 -9.970 60 HB3 HIS 9 1HB HIS 9 7.244 16.331 -11.285 61 HD1 HIS 9 HD1 HIS 9 6.488 12.745 -10.518 62 HD2 HIS 9 HD2 HIS 9 7.510 15.061 -13.800 63 HE1 HIS 9 HE1 HIS 9 6.014 11.317 -12.512 64 HE2 HIS 9 HE2 HIS 9 6.505 12.794 -14.483 65 H HIS 10 H HIS 10 10.199 15.168 -8.124 66 HA HIS 10 HA HIS 10 10.884 12.445 -8.012 67 HB2 HIS 10 2HB HIS 10 11.784 14.323 -6.514 68 HB3 HIS 10 1HB HIS 10 10.286 14.240 -5.603 69 HD1 HIS 10 HD1 HIS 10 10.488 12.849 -3.557 70 HD2 HIS 10 HD2 HIS 10 13.148 11.611 -6.482 71 HE1 HIS 10 HE1 HIS 10 11.852 11.046 -2.492 72 HE2 HIS 10 HE2 HIS 10 13.250 10.130 -4.369 73 H SER 11 H SER 11 8.053 14.238 -6.982 74 HA SER 11 HA SER 11 6.622 11.942 -5.942 75 HB2 SER 11 2HB SER 11 4.864 13.661 -5.443 76 HB3 SER 11 1HB SER 11 6.440 14.039 -4.747 77 HG SER 11 HG SER 11 5.427 15.105 -7.184 78 H SER 12 H SER 12 5.185 10.771 -7.018 79 HA SER 12 HA SER 12 4.531 11.107 -9.775 80 HB2 SER 12 2HB SER 12 3.212 9.327 -7.665 81 HB3 SER 12 1HB SER 12 3.088 9.135 -9.418 82 HG SER 12 HG SER 12 5.669 9.235 -8.745 83 H GLY 13 H GLY 13 2.799 12.146 -10.689 84 HA2 GLY 13 2HA GLY 13 1.339 14.103 -9.242 85 HA3 GLY 13 1HA GLY 13 1.094 13.651 -10.916 86 H ILE 14 H ILE 14 0.220 12.921 -7.593 87 HA ILE 14 HA ILE 14 -2.317 11.682 -8.439 88 HB ILE 14 HB ILE 14 -0.223 10.321 -6.696 89 HG12 ILE 14 2HG1 ILE 14 -1.985 9.388 -9.010 90 HG13 ILE 14 1HG1 ILE 14 -0.246 9.626 -9.032 91 HG21 ILE 14 1HG2 ILE 14 -1.916 8.730 -5.827 92 HG22 ILE 14 2HG2 ILE 14 -3.199 9.714 -6.533 93 HG23 ILE 14 3HG2 ILE 14 -2.192 10.374 -5.246 94 HD11 ILE 14 1HD1 ILE 14 -1.741 7.472 -7.565 95 HD12 ILE 14 2HD1 ILE 14 -0.002 7.747 -7.469 96 HD13 ILE 14 3HD1 ILE 14 -0.738 7.306 -9.005 97 H GLU 15 H GLU 15 -3.743 13.026 -7.635 98 HA GLU 15 HA GLU 15 -3.884 13.715 -4.810 99 HB2 GLU 15 2HB GLU 15 -3.679 15.905 -6.948 100 HB3 GLU 15 1HB GLU 15 -4.250 16.186 -5.309 101 HG2 GLU 15 2HG GLU 15 -2.030 15.565 -4.422 102 HG3 GLU 15 1HG GLU 15 -1.455 15.265 -6.058 103 H GLY 16 H GLY 16 -5.976 14.039 -4.189 104 HA2 GLY 16 2HA GLY 16 -8.075 14.702 -6.180 105 HA3 GLY 16 1HA GLY 16 -8.309 13.398 -5.012 106 H ARG 17 H ARG 17 -6.758 16.539 -4.671 107 HA ARG 17 HA ARG 17 -7.530 17.036 -2.068 108 HB2 ARG 17 2HB ARG 17 -6.864 19.447 -2.570 109 HB3 ARG 17 1HB ARG 17 -5.671 18.199 -2.887 110 HG2 ARG 17 2HG ARG 17 -6.474 18.296 -5.358 111 HG3 ARG 17 1HG ARG 17 -7.268 19.800 -4.887 112 HD2 ARG 17 2HD ARG 17 -4.302 19.211 -4.685 113 HD3 ARG 17 1HD ARG 17 -5.072 20.214 -5.913 114 HE ARG 17 HE ARG 17 -5.809 21.570 -3.829 115 HH11 ARG 17 1HH1 ARG 17 -2.666 19.981 -4.231 116 HH12 ARG 17 2HH1 ARG 17 -1.820 21.132 -3.247 117 HH21 ARG 17 1HH2 ARG 17 -4.656 23.117 -2.588 118 HH22 ARG 17 2HH2 ARG 17 -2.956 22.914 -2.316 119 H GLY 18 H GLY 18 -9.544 17.035 -1.409 120 HA2 GLY 18 2HA GLY 18 -11.592 18.640 -1.347 121 HA3 GLY 18 1HA GLY 18 -11.786 18.084 -3.009 122 H ARG 19 H ARG 19 -11.454 15.588 -3.181 123 HA ARG 19 HA ARG 19 -13.443 14.242 -1.552 124 HB2 ARG 19 2HB ARG 19 -13.156 12.346 -3.019 125 HB3 ARG 19 1HB ARG 19 -13.116 13.786 -4.029 126 HG2 ARG 19 2HG ARG 19 -10.683 13.645 -4.206 127 HG3 ARG 19 1HG ARG 19 -10.646 12.284 -3.090 128 HD2 ARG 19 2HD ARG 19 -11.868 10.904 -4.735 129 HD3 ARG 19 1HD ARG 19 -11.918 12.278 -5.851 130 HE ARG 19 HE ARG 19 -9.241 11.701 -5.059 131 HH11 ARG 19 1HH1 ARG 19 -11.777 10.502 -7.171 132 HH12 ARG 19 2HH1 ARG 19 -10.672 9.760 -8.287 133 HH21 ARG 19 1HH2 ARG 19 -7.785 10.751 -6.552 134 HH22 ARG 19 2HH2 ARG 19 -8.416 9.901 -7.935 135 H MET 20 H MET 20 -10.020 14.652 -1.478 136 HA MET 20 HA MET 20 -9.179 12.301 -0.142 137 HB2 MET 20 2HB MET 20 -7.969 15.051 -0.512 138 HB3 MET 20 1HB MET 20 -7.183 13.895 0.556 139 HG2 MET 20 2HG MET 20 -6.790 12.362 -1.230 140 HG3 MET 20 1HG MET 20 -7.848 13.248 -2.326 141 HE1 MET 20 1HE MET 20 -3.712 14.819 -0.951 142 HE2 MET 20 2HE MET 20 -4.363 13.262 -0.451 143 HE3 MET 20 3HE MET 20 -5.091 14.754 0.146 144 H LYS 21 H LYS 21 -10.898 15.002 1.071 145 HA LYS 21 HA LYS 21 -10.594 14.088 3.849 146 HB2 LYS 21 2HB LYS 21 -10.811 16.561 3.273 147 HB3 LYS 21 1HB LYS 21 -12.449 16.246 2.711 148 HG2 LYS 21 2HG LYS 21 -13.033 15.459 5.039 149 HG3 LYS 21 1HG LYS 21 -11.408 15.928 5.556 150 HD2 LYS 21 2HD LYS 21 -11.902 18.285 4.823 151 HD3 LYS 21 1HD LYS 21 -13.553 17.785 4.438 152 HE2 LYS 21 2HE LYS 21 -12.289 17.636 7.199 153 HE3 LYS 21 1HE LYS 21 -13.369 18.913 6.646 154 HZ1 LYS 21 1HZ LYS 21 -14.069 16.043 6.945 155 HZ2 LYS 21 2HZ LYS 21 -15.100 17.223 6.334 156 HZ3 LYS 21 3HZ LYS 21 -14.590 17.306 7.938 157 H LYS 22 H LYS 22 -11.318 11.919 3.327 158 HA LYS 22 HA LYS 22 -13.929 11.496 2.108 159 HB2 LYS 22 2HB LYS 22 -11.968 10.039 1.544 160 HB3 LYS 22 1HB LYS 22 -11.922 9.477 3.210 161 HG2 LYS 22 2HG LYS 22 -12.959 7.786 1.843 162 HG3 LYS 22 1HG LYS 22 -14.192 8.486 2.899 163 HD2 LYS 22 2HD LYS 22 -14.969 9.910 1.015 164 HD3 LYS 22 1HD LYS 22 -13.747 9.175 -0.030 165 HE2 LYS 22 2HE LYS 22 -14.832 6.958 0.311 166 HE3 LYS 22 1HE LYS 22 -16.087 7.745 1.278 167 HZ1 LYS 22 1HZ LYS 22 -16.667 9.092 -0.656 168 HZ2 LYS 22 2HZ LYS 22 -16.805 7.444 -1.002 169 HZ3 LYS 22 3HZ LYS 22 -15.478 8.316 -1.573 170 H LYS 23 H LYS 23 -12.391 10.600 5.218 171 HA LYS 23 HA LYS 23 -14.843 11.087 6.700 172 HB2 LYS 23 2HB LYS 23 -15.064 8.715 5.771 173 HB3 LYS 23 1HB LYS 23 -13.674 8.260 6.748 174 HG2 LYS 23 2HG LYS 23 -15.753 7.594 7.844 175 HG3 LYS 23 1HG LYS 23 -14.939 8.838 8.802 176 HD2 LYS 23 2HD LYS 23 -16.478 10.545 7.996 177 HD3 LYS 23 1HD LYS 23 -17.217 9.411 6.861 178 HE2 LYS 23 2HE LYS 23 -17.305 9.117 9.886 179 HE3 LYS 23 1HE LYS 23 -18.591 9.818 8.904 180 HZ1 LYS 23 1HZ LYS 23 -18.762 7.700 7.719 181 HZ2 LYS 23 2HZ LYS 23 -19.067 7.525 9.370 182 HZ3 LYS 23 3HZ LYS 23 -17.586 7.030 8.730 183 H GLN 24 H GLN 24 -11.538 9.732 6.801 184 HA GLN 24 HA GLN 24 -11.198 10.706 9.600 185 HB2 GLN 24 2HB GLN 24 -9.729 8.460 8.120 186 HB3 GLN 24 1HB GLN 24 -9.433 8.955 9.787 187 HG2 GLN 24 2HG GLN 24 -11.806 8.313 10.347 188 HG3 GLN 24 1HG GLN 24 -11.979 7.710 8.697 189 HE21 GLN 24 1HE2 GLN 24 -12.410 5.617 9.439 190 HE22 GLN 24 2HE2 GLN 24 -11.180 4.608 10.092 191 H ILE 25 H ILE 25 -9.799 12.414 9.846 192 HA ILE 25 HA ILE 25 -8.567 13.512 7.452 193 HB ILE 25 HB ILE 25 -8.844 14.602 10.308 194 HG12 ILE 25 2HG1 ILE 25 -10.088 16.504 9.327 195 HG13 ILE 25 1HG1 ILE 25 -9.821 15.926 7.698 196 HG21 ILE 25 1HG2 ILE 25 -6.586 15.252 9.587 197 HG22 ILE 25 2HG2 ILE 25 -7.630 16.667 9.677 198 HG23 ILE 25 3HG2 ILE 25 -7.243 15.956 8.110 199 HD11 ILE 25 1HD1 ILE 25 -12.090 15.585 8.425 200 HD12 ILE 25 2HD1 ILE 25 -11.552 14.646 9.812 201 HD13 ILE 25 3HD1 ILE 25 -11.313 14.028 8.172 202 H GLU 26 H GLU 26 -7.421 12.433 10.665 203 HA GLU 26 HA GLU 26 -4.666 12.899 10.203 204 HB2 GLU 26 2HB GLU 26 -5.646 12.781 12.474 205 HB3 GLU 26 1HB GLU 26 -5.982 11.067 12.239 206 HG2 GLU 26 2HG GLU 26 -3.549 10.628 12.028 207 HG3 GLU 26 1HG GLU 26 -3.216 12.335 12.310 208 H PHE 27 H PHE 27 -6.602 9.890 10.134 209 HA PHE 27 HA PHE 27 -4.412 8.134 9.756 210 HB2 PHE 27 2HB PHE 27 -6.789 7.560 10.620 211 HB3 PHE 27 1HB PHE 27 -7.276 7.480 8.934 212 HD1 PHE 27 HD1 PHE 27 -6.142 5.718 7.413 213 HD2 PHE 27 HD2 PHE 27 -5.644 5.728 11.666 214 HE1 PHE 27 HE1 PHE 27 -5.379 3.376 7.355 215 HE2 PHE 27 HE2 PHE 27 -4.887 3.392 11.574 216 HZ PHE 27 HZ PHE 27 -4.746 2.222 9.415 217 H GLU 28 H GLU 28 -6.710 9.614 7.478 218 HA GLU 28 HA GLU 28 -5.749 8.383 5.124 219 HB2 GLU 28 2HB GLU 28 -7.372 10.869 5.618 220 HB3 GLU 28 1HB GLU 28 -6.777 10.533 3.994 221 HG2 GLU 28 2HG GLU 28 -7.954 8.412 3.971 222 HG3 GLU 28 1HG GLU 28 -8.540 8.671 5.618 223 H ASN 29 H ASN 29 -4.896 11.496 6.711 224 HA ASN 29 HA ASN 29 -3.164 12.395 4.685 225 HB2 ASN 29 2HB ASN 29 -3.256 13.056 7.659 226 HB3 ASN 29 1HB ASN 29 -2.022 13.752 6.610 227 HD21 ASN 29 1HD2 ASN 29 -3.779 15.393 7.923 228 HD22 ASN 29 2HD2 ASN 29 -4.838 16.129 6.781 229 H GLU 30 H GLU 30 -2.506 10.338 7.519 230 HA GLU 30 HA GLU 30 0.326 10.261 7.118 231 HB2 GLU 30 2HB GLU 30 -0.687 9.926 9.332 232 HB3 GLU 30 1HB GLU 30 -1.437 8.424 8.792 233 HG2 GLU 30 2HG GLU 30 0.638 7.284 8.685 234 HG3 GLU 30 1HG GLU 30 1.563 8.783 8.661 235 H LEU 31 H LEU 31 -2.272 7.927 6.375 236 HA LEU 31 HA LEU 31 -0.590 5.882 5.325 237 HB2 LEU 31 2HB LEU 31 -2.890 5.210 5.899 238 HB3 LEU 31 1HB LEU 31 -3.551 6.376 4.779 239 HG LEU 31 HG LEU 31 -2.236 4.848 2.952 240 HD11 LEU 31 1HD1 LEU 31 -1.266 3.167 4.407 241 HD12 LEU 31 2HD1 LEU 31 -2.473 2.441 3.371 242 HD13 LEU 31 3HD1 LEU 31 -2.853 2.752 5.057 243 HD21 LEU 31 1HD2 LEU 31 -4.598 5.309 2.689 244 HD22 LEU 31 2HD2 LEU 31 -5.016 4.172 3.975 245 HD23 LEU 31 3HD2 LEU 31 -4.322 3.583 2.472 246 H ARG 32 H ARG 32 -2.464 8.398 3.700 247 HA ARG 32 HA ARG 32 -1.864 7.521 1.059 248 HB2 ARG 32 2HB ARG 32 -3.980 8.552 1.673 249 HB3 ARG 32 1HB ARG 32 -3.166 10.046 2.104 250 HG2 ARG 32 2HG ARG 32 -2.591 10.436 -0.249 251 HG3 ARG 32 1HG ARG 32 -3.348 8.903 -0.707 252 HD2 ARG 32 2HD ARG 32 -4.799 10.938 -1.089 253 HD3 ARG 32 1HD ARG 32 -5.538 9.719 -0.040 254 HE ARG 32 HE ARG 32 -4.114 12.051 1.083 255 HH11 ARG 32 1HH1 ARG 32 -7.088 10.183 0.833 256 HH12 ARG 32 2HH1 ARG 32 -7.881 11.062 2.100 257 HH21 ARG 32 1HH2 ARG 32 -5.161 13.195 2.747 258 HH22 ARG 32 2HH2 ARG 32 -6.788 12.773 3.186 259 H SER 33 H SER 33 -0.456 9.975 3.221 260 HA SER 33 HA SER 33 1.162 11.280 1.251 261 HB2 SER 33 2HB SER 33 0.576 12.275 3.475 262 HB3 SER 33 1HB SER 33 1.668 11.124 4.247 263 HG SER 33 HG SER 33 2.237 13.351 2.636 264 H MET 34 H MET 34 1.818 8.583 3.512 265 HA MET 34 HA MET 34 4.552 8.350 2.546 266 HB2 MET 34 2HB MET 34 4.951 6.584 4.121 267 HB3 MET 34 1HB MET 34 4.177 7.929 4.928 268 HG2 MET 34 2HG MET 34 2.105 6.681 5.123 269 HG3 MET 34 1HG MET 34 2.761 5.375 4.141 270 HE1 MET 34 1HE MET 34 1.544 5.421 7.358 271 HE2 MET 34 2HE MET 34 2.523 4.066 7.923 272 HE3 MET 34 3HE MET 34 1.762 3.994 6.337 273 H LEU 35 H LEU 35 1.507 7.042 1.702 274 HA LEU 35 HA LEU 35 2.459 4.847 0.103 275 HB2 LEU 35 2HB LEU 35 -0.066 5.427 0.806 276 HB3 LEU 35 1HB LEU 35 -0.055 6.418 -0.632 277 HG LEU 35 HG LEU 35 0.398 3.388 -0.661 278 HD11 LEU 35 1HD1 LEU 35 -2.173 4.916 -1.188 279 HD12 LEU 35 2HD1 LEU 35 -1.840 3.854 0.181 280 HD13 LEU 35 3HD1 LEU 35 -1.924 3.184 -1.443 281 HD21 LEU 35 1HD2 LEU 35 -0.137 3.569 -3.071 282 HD22 LEU 35 2HD2 LEU 35 1.321 4.457 -2.650 283 HD23 LEU 35 3HD2 LEU 35 -0.187 5.328 -2.921 284 H ALA 36 H ALA 36 1.784 8.287 -0.471 285 HA ALA 36 HA ALA 36 2.617 8.466 -3.142 286 HB1 ALA 36 1HB ALA 36 1.404 10.258 -2.037 287 HB2 ALA 36 2HB ALA 36 2.923 10.872 -2.684 288 HB3 ALA 36 3HB ALA 36 2.762 10.553 -0.954 289 H THR 37 H THR 37 4.472 8.789 -0.105 290 HA THR 37 HA THR 37 7.022 9.334 -1.153 291 HB THR 37 HB THR 37 6.340 7.806 1.398 292 HG1 THR 37 HG1 THR 37 5.769 9.685 2.189 293 HG21 THR 37 1HG2 THR 37 8.776 7.701 0.851 294 HG22 THR 37 2HG2 THR 37 8.479 8.703 2.270 295 HG23 THR 37 3HG2 THR 37 8.821 9.463 0.715 296 H ALA 38 H ALA 38 5.296 6.312 -0.627 297 HA ALA 38 HA ALA 38 7.449 4.537 -1.256 298 HB1 ALA 38 1HB ALA 38 5.688 2.803 -1.375 299 HB2 ALA 38 2HB ALA 38 4.456 4.058 -1.218 300 HB3 ALA 38 3HB ALA 38 5.593 3.775 0.093 301 H LEU 39 H LEU 39 5.037 6.222 -3.206 302 HA LEU 39 HA LEU 39 5.652 4.867 -5.678 303 HB2 LEU 39 2HB LEU 39 4.555 7.686 -5.326 304 HB3 LEU 39 1HB LEU 39 4.538 6.763 -6.813 305 HG LEU 39 HG LEU 39 2.879 6.106 -4.345 306 HD11 LEU 39 1HD1 LEU 39 2.035 7.414 -6.921 307 HD12 LEU 39 2HD1 LEU 39 2.148 8.178 -5.331 308 HD13 LEU 39 3HD1 LEU 39 0.960 6.906 -5.614 309 HD21 LEU 39 1HD2 LEU 39 1.612 4.600 -5.926 310 HD22 LEU 39 2HD2 LEU 39 3.217 4.037 -5.520 311 HD23 LEU 39 3HD2 LEU 39 2.922 4.803 -7.089 312 H GLU 40 H GLU 40 7.043 7.486 -3.891 313 HA GLU 40 HA GLU 40 8.879 8.375 -5.971 314 HB2 GLU 40 2HB GLU 40 8.740 9.026 -2.984 315 HB3 GLU 40 1HB GLU 40 9.773 9.845 -4.161 316 HG2 GLU 40 2HG GLU 40 7.847 10.707 -5.339 317 HG3 GLU 40 1HG GLU 40 6.752 9.776 -4.330 318 H LYS 41 H LYS 41 8.833 6.005 -3.454 319 HA LYS 41 HA LYS 41 11.662 5.370 -3.641 320 HB2 LYS 41 2HB LYS 41 9.324 3.880 -2.357 321 HB3 LYS 41 1HB LYS 41 10.994 3.320 -2.304 322 HG2 LYS 41 2HG LYS 41 9.979 5.927 -1.141 323 HG3 LYS 41 1HG LYS 41 10.352 4.460 -0.223 324 HD2 LYS 41 2HD LYS 41 12.737 4.605 -0.979 325 HD3 LYS 41 1HD LYS 41 12.366 6.088 -1.855 326 HE2 LYS 41 2HE LYS 41 13.521 6.393 0.372 327 HE3 LYS 41 1HE LYS 41 12.034 7.319 0.204 328 HZ1 LYS 41 1HZ LYS 41 12.096 6.299 2.340 329 HZ2 LYS 41 2HZ LYS 41 12.414 4.776 1.686 330 HZ3 LYS 41 3HZ LYS 41 10.911 5.498 1.433 331 H ASP 42 H ASP 42 12.570 3.654 -4.735 332 HA ASP 42 HA ASP 42 11.377 2.556 -7.069 333 HB2 ASP 42 2HB ASP 42 13.847 1.612 -5.535 334 HB3 ASP 42 1HB ASP 42 13.389 1.067 -7.144 335 H ILE 43 H ILE 43 9.471 1.536 -6.544 336 HA ILE 43 HA ILE 43 9.454 -0.773 -4.728 337 HB ILE 43 HB ILE 43 6.979 -0.844 -5.191 338 HG12 ILE 43 2HG1 ILE 43 7.536 1.685 -6.811 339 HG13 ILE 43 1HG1 ILE 43 6.762 0.207 -7.370 340 HG21 ILE 43 1HG2 ILE 43 6.433 1.118 -3.802 341 HG22 ILE 43 2HG2 ILE 43 8.029 1.795 -4.130 342 HG23 ILE 43 3HG2 ILE 43 7.880 0.291 -3.224 343 HD11 ILE 43 1HD1 ILE 43 5.634 2.249 -5.461 344 HD12 ILE 43 2HD1 ILE 43 4.868 0.699 -5.816 345 HD13 ILE 43 3HD1 ILE 43 5.100 1.884 -7.101 346 H SER 44 H SER 44 8.951 -2.804 -5.402 347 HA SER 44 HA SER 44 10.007 -3.748 -7.874 348 HB2 SER 44 2HB SER 44 8.250 -5.330 -5.922 349 HB3 SER 44 1HB SER 44 9.584 -5.929 -6.904 350 HG SER 44 HG SER 44 9.618 -4.562 -4.487 351 H GLN 45 H GLN 45 8.688 -5.046 -9.599 352 HA GLN 45 HA GLN 45 6.834 -3.369 -10.751 353 HB2 GLN 45 2HB GLN 45 8.088 -4.930 -12.102 354 HB3 GLN 45 1HB GLN 45 7.327 -6.319 -11.335 355 HG2 GLN 45 2HG GLN 45 5.146 -5.666 -12.326 356 HG3 GLN 45 1HG GLN 45 5.918 -4.283 -13.110 357 HE21 GLN 45 1HE2 GLN 45 4.505 -6.563 -14.278 358 HE22 GLN 45 2HE2 GLN 45 5.615 -7.305 -15.370 359 H GLU 46 H GLU 46 6.034 -6.280 -8.804 360 HA GLU 46 HA GLU 46 3.196 -5.996 -9.336 361 HB2 GLU 46 2HB GLU 46 4.715 -7.917 -7.550 362 HB3 GLU 46 1HB GLU 46 2.964 -7.928 -7.712 363 HG2 GLU 46 2HG GLU 46 3.838 -9.667 -9.105 364 HG3 GLU 46 1HG GLU 46 3.237 -8.386 -10.155 365 H GLU 47 H GLU 47 5.375 -4.676 -7.209 366 HA GLU 47 HA GLU 47 3.620 -4.188 -4.945 367 HB2 GLU 47 2HB GLU 47 6.237 -4.482 -4.925 368 HB3 GLU 47 1HB GLU 47 6.308 -2.858 -5.562 369 HG2 GLU 47 2HG GLU 47 5.358 -1.969 -3.486 370 HG3 GLU 47 1HG GLU 47 5.164 -3.600 -2.845 371 H ARG 48 H ARG 48 4.974 -2.558 -7.778 372 HA ARG 48 HA ARG 48 3.741 -0.041 -7.557 373 HB2 ARG 48 2HB ARG 48 5.635 -0.510 -9.114 374 HB3 ARG 48 1HB ARG 48 4.569 -1.526 -10.079 375 HG2 ARG 48 2HG ARG 48 3.182 0.417 -10.639 376 HG3 ARG 48 1HG ARG 48 4.194 1.457 -9.632 377 HD2 ARG 48 2HD ARG 48 4.740 1.690 -12.038 378 HD3 ARG 48 1HD ARG 48 6.110 1.062 -11.118 379 HE ARG 48 HE ARG 48 4.329 -0.792 -12.543 380 HH11 ARG 48 1HH1 ARG 48 7.559 0.645 -12.280 381 HH12 ARG 48 2HH1 ARG 48 8.282 -0.514 -13.352 382 HH21 ARG 48 1HH2 ARG 48 5.312 -2.314 -13.908 383 HH22 ARG 48 2HH2 ARG 48 7.008 -2.188 -14.272 384 H ASN 49 H ASN 49 2.752 -3.073 -9.172 385 HA ASN 49 HA ASN 49 0.246 -2.339 -10.101 386 HB2 ASN 49 2HB ASN 49 1.192 -5.000 -9.005 387 HB3 ASN 49 1HB ASN 49 -0.441 -4.805 -9.626 388 HD21 ASN 49 1HD2 ASN 49 1.346 -6.635 -10.727 389 HD22 ASN 49 2HD2 ASN 49 1.736 -6.130 -12.335 390 H ALA 50 H ALA 50 1.062 -3.522 -6.845 391 HA ALA 50 HA ALA 50 -1.540 -3.703 -5.804 392 HB1 ALA 50 1HB ALA 50 -0.455 -3.869 -3.613 393 HB2 ALA 50 2HB ALA 50 1.058 -3.257 -4.292 394 HB3 ALA 50 3HB ALA 50 0.422 -4.820 -4.815 395 H LEU 51 H LEU 51 0.863 -1.031 -5.464 396 HA LEU 51 HA LEU 51 -0.897 0.618 -3.893 397 HB2 LEU 51 2HB LEU 51 1.593 1.456 -5.430 398 HB3 LEU 51 1HB LEU 51 0.796 2.406 -4.195 399 HG LEU 51 HG LEU 51 2.394 -0.162 -3.780 400 HD11 LEU 51 1HD1 LEU 51 3.965 1.201 -2.536 401 HD12 LEU 51 2HD1 LEU 51 2.955 2.633 -2.737 402 HD13 LEU 51 3HD1 LEU 51 3.737 1.905 -4.134 403 HD21 LEU 51 1HD2 LEU 51 2.110 0.273 -1.307 404 HD22 LEU 51 2HD2 LEU 51 0.690 -0.336 -2.130 405 HD23 LEU 51 3HD2 LEU 51 0.800 1.381 -1.713 406 H ASN 52 H ASN 52 -0.251 0.391 -7.373 407 HA ASN 52 HA ASN 52 -1.751 2.641 -8.221 408 HB2 ASN 52 2HB ASN 52 -0.992 0.082 -9.646 409 HB3 ASN 52 1HB ASN 52 -2.032 1.268 -10.425 410 HD21 ASN 52 1HD2 ASN 52 -0.643 1.950 -12.005 411 HD22 ASN 52 2HD2 ASN 52 0.847 2.768 -11.700 412 H ILE 53 H ILE 53 -2.686 -0.689 -7.516 413 HA ILE 53 HA ILE 53 -5.371 -0.595 -8.431 414 HB ILE 53 HB ILE 53 -3.993 -2.449 -6.442 415 HG12 ILE 53 2HG1 ILE 53 -4.950 -2.998 -9.302 416 HG13 ILE 53 1HG1 ILE 53 -3.295 -2.631 -8.859 417 HG21 ILE 53 1HG2 ILE 53 -5.999 -3.940 -6.594 418 HG22 ILE 53 2HG2 ILE 53 -6.848 -2.664 -7.469 419 HG23 ILE 53 3HG2 ILE 53 -6.343 -2.398 -5.802 420 HD11 ILE 53 1HD1 ILE 53 -4.839 -5.058 -7.949 421 HD12 ILE 53 2HD1 ILE 53 -3.164 -4.675 -7.544 422 HD13 ILE 53 3HD1 ILE 53 -3.612 -5.005 -9.216 423 H ALA 54 H ALA 54 -3.849 -0.104 -5.261 424 HA ALA 54 HA ALA 54 -6.124 0.297 -3.676 425 HB1 ALA 54 1HB ALA 54 -3.372 1.523 -3.292 426 HB2 ALA 54 2HB ALA 54 -3.833 -0.112 -2.831 427 HB3 ALA 54 3HB ALA 54 -4.607 1.261 -2.044 428 H GLU 55 H GLU 55 -4.127 2.706 -5.445 429 HA GLU 55 HA GLU 55 -5.563 4.995 -4.525 430 HB2 GLU 55 2HB GLU 55 -3.218 5.002 -5.347 431 HB3 GLU 55 1HB GLU 55 -3.797 4.721 -6.976 432 HG2 GLU 55 2HG GLU 55 -4.704 7.159 -5.454 433 HG3 GLU 55 1HG GLU 55 -3.121 7.129 -6.216 434 H LYS 56 H LYS 56 -5.813 3.039 -7.512 435 HA LYS 56 HA LYS 56 -7.731 4.746 -8.763 436 HB2 LYS 56 2HB LYS 56 -7.077 1.849 -9.352 437 HB3 LYS 56 1HB LYS 56 -8.188 2.803 -10.315 438 HG2 LYS 56 2HG LYS 56 -5.219 3.328 -9.956 439 HG3 LYS 56 1HG LYS 56 -6.010 2.695 -11.399 440 HD2 LYS 56 2HD LYS 56 -7.243 4.828 -11.660 441 HD3 LYS 56 1HD LYS 56 -6.476 5.456 -10.198 442 HE2 LYS 56 2HE LYS 56 -4.278 5.309 -11.289 443 HE3 LYS 56 1HE LYS 56 -5.036 4.678 -12.753 444 HZ1 LYS 56 1HZ LYS 56 -5.460 7.368 -11.559 445 HZ2 LYS 56 2HZ LYS 56 -6.312 6.774 -12.886 446 HZ3 LYS 56 3HZ LYS 56 -4.650 7.024 -13.004 447 H ALA 57 H ALA 57 -7.939 2.314 -6.363 448 HA ALA 57 HA ALA 57 -10.791 1.897 -6.463 449 HB1 ALA 57 1HB ALA 57 -10.411 0.741 -4.318 450 HB2 ALA 57 2HB ALA 57 -8.723 1.240 -4.352 451 HB3 ALA 57 3HB ALA 57 -9.343 0.159 -5.598 452 H LEU 58 H LEU 58 -8.529 3.997 -4.582 453 HA LEU 58 HA LEU 58 -10.484 5.262 -2.942 454 HB2 LEU 58 2HB LEU 58 -8.163 6.783 -4.176 455 HB3 LEU 58 1HB LEU 58 -8.994 7.169 -2.683 456 HG LEU 58 HG LEU 58 -6.895 4.980 -3.171 457 HD11 LEU 58 1HD1 LEU 58 -6.684 7.318 -1.248 458 HD12 LEU 58 2HD1 LEU 58 -5.855 7.159 -2.807 459 HD13 LEU 58 3HD1 LEU 58 -5.496 6.043 -1.503 460 HD21 LEU 58 1HD2 LEU 58 -6.960 4.346 -0.770 461 HD22 LEU 58 2HD2 LEU 58 -8.392 3.862 -1.646 462 HD23 LEU 58 3HD2 LEU 58 -8.445 5.269 -0.567 463 H ASP 59 H ASP 59 -9.569 5.859 -6.343 464 HA ASP 59 HA ASP 59 -11.328 8.017 -6.856 465 HB2 ASP 59 2HB ASP 59 -10.551 5.757 -8.745 466 HB3 ASP 59 1HB ASP 59 -11.420 7.198 -9.245 467 H ASN 60 H ASN 60 -11.961 4.516 -6.944 468 HA ASN 60 HA ASN 60 -14.710 4.862 -7.835 469 HB2 ASN 60 2HB ASN 60 -13.087 2.363 -7.154 470 HB3 ASN 60 1HB ASN 60 -14.778 2.315 -7.651 471 HD21 ASN 60 1HD2 ASN 60 -12.584 1.100 -8.982 472 HD22 ASN 60 2HD2 ASN 60 -12.482 1.780 -10.563 473 H SER 61 H SER 61 -13.193 4.955 -4.826 474 HA SER 61 HA SER 61 -13.820 4.865 -2.679 475 HB2 SER 61 2HB SER 61 -15.486 6.564 -3.387 476 HB3 SER 61 1HB SER 61 -16.637 5.283 -3.756 477 HG SER 61 HG SER 61 -16.747 4.787 -1.578 478 H GLU 62 H GLU 62 -13.166 2.542 -3.455 479 HA GLU 62 HA GLU 62 -15.186 0.521 -2.772 480 HB2 GLU 62 2HB GLU 62 -12.355 0.378 -3.865 481 HB3 GLU 62 1HB GLU 62 -13.104 -1.051 -3.181 482 HG2 GLU 62 2HG GLU 62 -14.305 0.551 -5.463 483 HG3 GLU 62 1HG GLU 62 -13.320 -0.890 -5.687 484 H TYR 63 H TYR 63 -14.222 2.425 -0.732 485 HA TYR 63 HA TYR 63 -14.407 2.390 1.482 486 HB2 TYR 63 2HB TYR 63 -14.853 -0.560 1.022 487 HB3 TYR 63 1HB TYR 63 -14.798 0.080 2.661 488 HD1 TYR 63 HD1 TYR 63 -16.540 1.727 3.416 489 HD2 TYR 63 HD2 TYR 63 -16.810 -0.183 -0.398 490 HE1 TYR 63 HE1 TYR 63 -18.914 2.334 3.279 491 HE2 TYR 63 HE2 TYR 63 -19.184 0.434 -0.533 492 HH TYR 63 HH TYR 63 -21.046 0.986 1.061 493 H LEU 64 H LEU 64 -13.398 1.708 3.571 494 HA LEU 64 HA LEU 64 -10.517 2.006 3.036 495 HB2 LEU 64 2HB LEU 64 -12.183 2.977 5.326 496 HB3 LEU 64 1HB LEU 64 -10.617 2.381 5.789 497 HG LEU 64 HG LEU 64 -10.485 4.750 5.640 498 HD11 LEU 64 1HD1 LEU 64 -8.547 5.028 4.456 499 HD12 LEU 64 2HD1 LEU 64 -9.037 4.048 3.097 500 HD13 LEU 64 3HD1 LEU 64 -8.578 3.285 4.622 501 HD21 LEU 64 1HD2 LEU 64 -10.955 6.149 3.708 502 HD22 LEU 64 2HD2 LEU 64 -12.403 5.295 4.182 503 HD23 LEU 64 3HD2 LEU 64 -11.486 4.774 2.763 504 HA PRO 65 HA PRO 65 -10.495 -1.861 6.103 505 HB2 PRO 65 2HB PRO 65 -13.317 -2.837 5.633 506 HB3 PRO 65 1HB PRO 65 -12.331 -2.884 7.111 507 HG2 PRO 65 2HG PRO 65 -14.315 -1.146 6.915 508 HG3 PRO 65 1HG PRO 65 -12.770 -0.655 7.656 509 HD2 PRO 65 2HD PRO 65 -13.801 -0.084 4.880 510 HD3 PRO 65 1HD PRO 65 -12.968 0.994 6.025 511 H LYS 66 H LYS 66 -12.331 -1.601 3.093 512 HA LYS 66 HA LYS 66 -11.884 -4.297 2.204 513 HB2 LYS 66 2HB LYS 66 -13.898 -3.164 1.457 514 HB3 LYS 66 1HB LYS 66 -12.973 -1.833 0.782 515 HG2 LYS 66 2HG LYS 66 -13.785 -3.227 -1.018 516 HG3 LYS 66 1HG LYS 66 -12.028 -3.386 -0.935 517 HD2 LYS 66 2HD LYS 66 -12.302 -5.535 0.284 518 HD3 LYS 66 1HD LYS 66 -14.056 -5.364 0.174 519 HE2 LYS 66 2HE LYS 66 -13.914 -5.470 -2.290 520 HE3 LYS 66 1HE LYS 66 -12.155 -5.629 -2.182 521 HZ1 LYS 66 1HZ LYS 66 -14.183 -7.555 -1.188 522 HZ2 LYS 66 2HZ LYS 66 -12.534 -7.684 -0.874 523 HZ3 LYS 66 3HZ LYS 66 -13.093 -7.786 -2.458 524 H ILE 67 H ILE 67 -10.454 -1.083 1.433 525 HA ILE 67 HA ILE 67 -8.578 -2.177 -0.480 526 HB ILE 67 HB ILE 67 -8.792 0.585 0.801 527 HG12 ILE 67 2HG1 ILE 67 -9.605 -0.436 -1.948 528 HG13 ILE 67 1HG1 ILE 67 -10.710 -0.143 -0.623 529 HG21 ILE 67 1HG2 ILE 67 -7.294 1.404 -0.984 530 HG22 ILE 67 2HG2 ILE 67 -7.058 -0.248 -1.556 531 HG23 ILE 67 3HG2 ILE 67 -6.467 0.225 0.038 532 HD11 ILE 67 1HD1 ILE 67 -10.249 2.211 -0.688 533 HD12 ILE 67 2HD1 ILE 67 -10.759 1.636 -2.271 534 HD13 ILE 67 3HD1 ILE 67 -9.057 1.984 -1.970 535 H ILE 68 H ILE 68 -8.518 -1.479 2.984 536 HA ILE 68 HA ILE 68 -5.762 -1.865 3.471 537 HB ILE 68 HB ILE 68 -8.215 -2.288 5.209 538 HG12 ILE 68 2HG1 ILE 68 -5.850 -0.370 5.487 539 HG13 ILE 68 1HG1 ILE 68 -7.402 0.043 4.769 540 HG21 ILE 68 1HG2 ILE 68 -6.758 -4.054 5.979 541 HG22 ILE 68 2HG2 ILE 68 -6.712 -2.754 7.173 542 HG23 ILE 68 3HG2 ILE 68 -5.377 -2.966 6.037 543 HD11 ILE 68 1HD1 ILE 68 -7.261 0.879 7.009 544 HD12 ILE 68 2HD1 ILE 68 -6.925 -0.734 7.635 545 HD13 ILE 68 3HD1 ILE 68 -8.497 -0.376 6.916 546 H LEU 69 H LEU 69 -8.493 -4.166 3.204 547 HA LEU 69 HA LEU 69 -6.931 -6.515 3.563 548 HB2 LEU 69 2HB LEU 69 -9.556 -6.126 3.566 549 HB3 LEU 69 1HB LEU 69 -9.438 -6.560 1.870 550 HG LEU 69 HG LEU 69 -8.687 -8.318 4.289 551 HD11 LEU 69 1HD1 LEU 69 -11.109 -8.269 3.952 552 HD12 LEU 69 2HD1 LEU 69 -10.433 -9.856 3.662 553 HD13 LEU 69 3HD1 LEU 69 -10.903 -8.857 2.297 554 HD21 LEU 69 1HD2 LEU 69 -7.097 -8.809 2.466 555 HD22 LEU 69 2HD2 LEU 69 -8.444 -9.252 1.413 556 HD23 LEU 69 3HD2 LEU 69 -8.121 -10.181 2.876 557 H ASN 70 H ASN 70 -7.952 -4.737 0.583 558 HA ASN 70 HA ASN 70 -6.989 -6.600 -1.307 559 HB2 ASN 70 2HB ASN 70 -7.218 -3.561 -1.651 560 HB3 ASN 70 1HB ASN 70 -6.991 -4.705 -2.966 561 HD21 ASN 70 1HD2 ASN 70 -9.100 -2.752 -2.454 562 HD22 ASN 70 2HD2 ASN 70 -10.587 -3.642 -2.473 563 H LEU 71 H LEU 71 -5.357 -4.007 0.440 564 HA LEU 71 HA LEU 71 -2.964 -4.023 -1.134 565 HB2 LEU 71 2HB LEU 71 -3.878 -2.033 0.155 566 HB3 LEU 71 1HB LEU 71 -3.497 -2.846 1.637 567 HG LEU 71 HG LEU 71 -1.967 -0.923 0.956 568 HD11 LEU 71 1HD1 LEU 71 -1.266 -2.402 2.704 569 HD12 LEU 71 2HD1 LEU 71 0.120 -1.959 1.715 570 HD13 LEU 71 3HD1 LEU 71 -0.616 -3.555 1.541 571 HD21 LEU 71 1HD2 LEU 71 -0.260 -1.166 -0.665 572 HD22 LEU 71 2HD2 LEU 71 -1.769 -1.540 -1.482 573 HD23 LEU 71 3HD2 LEU 71 -0.668 -2.843 -1.000 574 H ARG 72 H ARG 72 -4.071 -5.319 1.949 575 HA ARG 72 HA ARG 72 -1.619 -6.646 2.674 576 HB2 ARG 72 2HB ARG 72 -3.496 -5.980 4.320 577 HB3 ARG 72 1HB ARG 72 -4.418 -7.345 3.717 578 HG2 ARG 72 2HG ARG 72 -2.489 -8.834 4.415 579 HG3 ARG 72 1HG ARG 72 -1.777 -7.421 5.202 580 HD2 ARG 72 2HD ARG 72 -3.007 -8.740 6.837 581 HD3 ARG 72 1HD ARG 72 -3.826 -7.193 6.584 582 HE ARG 72 HE ARG 72 -4.811 -9.373 4.967 583 HH11 ARG 72 1HH1 ARG 72 -5.160 -7.663 8.008 584 HH12 ARG 72 2HH1 ARG 72 -6.793 -8.191 8.262 585 HH21 ARG 72 1HH2 ARG 72 -6.958 -10.087 5.311 586 HH22 ARG 72 2HH2 ARG 72 -7.808 -9.559 6.732 587 H LYS 73 H LYS 73 -4.221 -7.391 0.476 588 HA LYS 73 HA LYS 73 -3.953 -10.293 0.651 589 HB2 LYS 73 2HB LYS 73 -6.198 -9.305 0.328 590 HB3 LYS 73 1HB LYS 73 -5.684 -8.529 -1.161 591 HG2 LYS 73 2HG LYS 73 -5.417 -10.731 -2.226 592 HG3 LYS 73 1HG LYS 73 -5.882 -11.528 -0.719 593 HD2 LYS 73 2HD LYS 73 -8.132 -10.574 -0.837 594 HD3 LYS 73 1HD LYS 73 -7.682 -9.582 -2.228 595 HE2 LYS 73 2HE LYS 73 -7.675 -12.615 -2.253 596 HE3 LYS 73 1HE LYS 73 -9.030 -11.626 -2.793 597 HZ1 LYS 73 1HZ LYS 73 -7.607 -12.338 -4.638 598 HZ2 LYS 73 2HZ LYS 73 -6.292 -11.523 -3.961 599 HZ3 LYS 73 3HZ LYS 73 -7.642 -10.659 -4.493 600 H ALA 74 H ALA 74 -2.928 -7.599 -1.325 601 HA ALA 74 HA ALA 74 -1.659 -9.251 -3.341 602 HB1 ALA 74 1HB ALA 74 -2.556 -7.080 -3.967 603 HB2 ALA 74 2HB ALA 74 -0.805 -7.066 -4.171 604 HB3 ALA 74 3HB ALA 74 -1.540 -6.266 -2.784 605 H LEU 75 H LEU 75 -0.672 -7.552 -0.324 606 HA LEU 75 HA LEU 75 2.150 -7.996 -0.975 607 HB2 LEU 75 2HB LEU 75 1.046 -6.464 1.399 608 HB3 LEU 75 1HB LEU 75 2.725 -6.534 0.911 609 HG LEU 75 HG LEU 75 0.461 -4.947 -0.317 610 HD11 LEU 75 1HD1 LEU 75 2.023 -3.066 -0.113 611 HD12 LEU 75 2HD1 LEU 75 3.230 -4.144 0.593 612 HD13 LEU 75 3HD1 LEU 75 1.706 -3.853 1.428 613 HD21 LEU 75 1HD2 LEU 75 3.043 -5.583 -1.780 614 HD22 LEU 75 2HD2 LEU 75 1.951 -4.261 -2.190 615 HD23 LEU 75 3HD2 LEU 75 1.385 -5.915 -2.312 616 H THR 76 H THR 76 -0.155 -9.334 1.336 617 HA THR 76 HA THR 76 1.733 -10.440 3.113 618 HB THR 76 HB THR 76 -1.063 -11.484 2.509 619 HG1 THR 76 HG1 THR 76 -0.074 -9.475 3.983 620 HG21 THR 76 1HG2 THR 76 0.804 -12.320 4.776 621 HG22 THR 76 2HG2 THR 76 0.260 -13.348 3.448 622 HG23 THR 76 3HG2 THR 76 -0.897 -12.754 4.634 623 HA PRO 77 HA PRO 77 1.782 -14.535 0.243 624 HB2 PRO 77 2HB PRO 77 1.559 -13.105 -2.411 625 HB3 PRO 77 1HB PRO 77 1.008 -14.730 -1.958 626 HG2 PRO 77 2HG PRO 77 -0.752 -12.792 -2.206 627 HG3 PRO 77 1HG PRO 77 -0.875 -13.918 -0.831 628 HD2 PRO 77 2HD PRO 77 0.220 -11.108 -0.881 629 HD3 PRO 77 1HD PRO 77 -0.851 -11.885 0.298 630 H LEU 78 H LEU 78 2.948 -11.460 -1.149 631 HA LEU 78 HA LEU 78 5.551 -12.471 -1.905 632 HB2 LEU 78 2HB LEU 78 4.886 -9.521 -1.531 633 HB3 LEU 78 1HB LEU 78 6.108 -10.232 -2.579 634 HG LEU 78 HG LEU 78 3.080 -10.456 -3.031 635 HD11 LEU 78 1HD1 LEU 78 3.310 -8.900 -4.869 636 HD12 LEU 78 2HD1 LEU 78 5.034 -8.706 -4.549 637 HD13 LEU 78 3HD1 LEU 78 3.844 -8.138 -3.376 638 HD21 LEU 78 1HD2 LEU 78 4.275 -12.368 -4.036 639 HD22 LEU 78 2HD2 LEU 78 5.334 -11.269 -4.910 640 HD23 LEU 78 3HD2 LEU 78 3.610 -11.307 -5.266 641 H ALA 79 H ALA 79 4.231 -11.003 0.983 642 HA ALA 79 HA ALA 79 6.658 -10.266 2.275 643 HB1 ALA 79 1HB ALA 79 5.317 -10.223 4.339 644 HB2 ALA 79 2HB ALA 79 3.999 -11.063 3.515 645 HB3 ALA 79 3HB ALA 79 4.457 -9.433 3.016 646 H ILE 80 H ILE 80 4.640 -13.176 2.380 647 HA ILE 80 HA ILE 80 6.179 -14.656 4.287 648 HB ILE 80 HB ILE 80 4.103 -15.632 2.257 649 HG12 ILE 80 2HG1 ILE 80 3.677 -14.968 5.221 650 HG13 ILE 80 1HG1 ILE 80 3.264 -13.893 3.897 651 HG21 ILE 80 1HG2 ILE 80 3.833 -17.619 3.754 652 HG22 ILE 80 2HG2 ILE 80 5.217 -17.069 4.701 653 HG23 ILE 80 3HG2 ILE 80 5.435 -17.527 3.013 654 HD11 ILE 80 1HD1 ILE 80 2.066 -16.617 4.357 655 HD12 ILE 80 2HD1 ILE 80 1.658 -15.501 3.050 656 HD13 ILE 80 3HD1 ILE 80 1.319 -15.059 4.722 657 H ASN 81 H ASN 81 6.051 -14.517 0.761 658 HA ASN 81 HA ASN 81 8.116 -16.505 0.338 659 HB2 ASN 81 2HB ASN 81 6.742 -14.546 -1.566 660 HB3 ASN 81 1HB ASN 81 7.948 -15.736 -2.065 661 HD21 ASN 81 1HD2 ASN 81 6.417 -16.709 -3.445 662 HD22 ASN 81 2HD2 ASN 81 5.169 -17.733 -2.835 663 H ARG 82 H ARG 82 8.147 -13.221 1.271 664 HA ARG 82 HA ARG 82 9.787 -11.739 1.701 665 HB2 ARG 82 2HB ARG 82 11.576 -14.194 1.518 666 HB3 ARG 82 1HB ARG 82 12.145 -12.623 2.070 667 HG2 ARG 82 2HG ARG 82 10.433 -12.734 3.929 668 HG3 ARG 82 1HG ARG 82 10.066 -14.389 3.425 669 HD2 ARG 82 2HD ARG 82 11.616 -14.401 5.307 670 HD3 ARG 82 1HD ARG 82 12.424 -15.029 3.865 671 HE ARG 82 HE ARG 82 12.946 -12.295 3.971 672 HH11 ARG 82 1HH1 ARG 82 13.698 -15.134 5.956 673 HH12 ARG 82 2HH1 ARG 82 15.179 -14.454 6.562 674 HH21 ARG 82 1HH2 ARG 82 14.888 -11.419 4.799 675 HH22 ARG 82 2HH2 ARG 82 15.854 -12.345 5.906 676 H THR 83 H THR 83 8.979 -11.189 -0.596 677 HA THR 83 HA THR 83 11.283 -10.765 -2.419 678 HB THR 83 HB THR 83 9.556 -10.880 -4.317 679 HG1 THR 83 HG1 THR 83 7.567 -11.693 -3.896 680 HG21 THR 83 1HG2 THR 83 11.085 -12.756 -4.003 681 HG22 THR 83 2HG2 THR 83 9.476 -13.376 -4.384 682 HG23 THR 83 3HG2 THR 83 10.070 -13.416 -2.722 683 H LEU 84 H LEU 84 8.804 -9.308 -0.578 684 HA LEU 84 HA LEU 84 8.467 -6.923 -2.179 685 HB2 LEU 84 2HB LEU 84 6.784 -7.882 -0.574 686 HB3 LEU 84 1HB LEU 84 7.808 -7.408 0.763 687 HG LEU 84 HG LEU 84 6.855 -5.243 -1.148 688 HD11 LEU 84 1HD1 LEU 84 5.129 -6.442 1.044 689 HD12 LEU 84 2HD1 LEU 84 4.823 -6.507 -0.695 690 HD13 LEU 84 3HD1 LEU 84 4.776 -4.961 0.144 691 HD21 LEU 84 1HD2 LEU 84 6.834 -3.842 0.866 692 HD22 LEU 84 2HD2 LEU 84 8.407 -4.607 0.665 693 HD23 LEU 84 3HD2 LEU 84 7.274 -5.230 1.863 694 H ASN 85 H ASN 85 9.507 -4.945 -1.925 695 HA ASN 85 HA ASN 85 12.291 -5.117 -1.499 696 HB2 ASN 85 2HB ASN 85 11.295 -3.421 -3.060 697 HB3 ASN 85 1HB ASN 85 10.710 -2.491 -1.673 698 HD21 ASN 85 1HD2 ASN 85 11.923 -0.668 -2.041 699 HD22 ASN 85 2HD2 ASN 85 13.641 -0.614 -2.026 700 H HIS 86 H HIS 86 9.821 -4.170 0.770 701 HA HIS 86 HA HIS 86 9.760 -4.219 3.028 702 HB2 HIS 86 2HB HIS 86 11.583 -5.989 2.803 703 HB3 HIS 86 1HB HIS 86 12.774 -4.725 3.064 704 HD1 HIS 86 HD1 HIS 86 12.997 -3.804 5.505 705 HD2 HIS 86 HD2 HIS 86 10.185 -6.828 5.097 706 HE1 HIS 86 HE1 HIS 86 12.493 -4.566 7.842 707 HE2 HIS 86 HE2 HIS 86 10.845 -6.439 7.556 708 H ASP 87 H ASP 87 11.134 -1.883 1.244 709 HA ASP 87 HA ASP 87 12.273 -0.215 3.311 710 HB2 ASP 87 2HB ASP 87 13.170 -0.138 0.986 711 HB3 ASP 87 1HB ASP 87 11.659 0.525 0.392 712 H LEU 88 H LEU 88 9.052 -0.859 2.319 713 HA LEU 88 HA LEU 88 8.113 1.296 4.102 714 HB2 LEU 88 2HB LEU 88 5.872 1.190 2.846 715 HB3 LEU 88 1HB LEU 88 7.152 2.129 2.125 716 HG LEU 88 HG LEU 88 6.808 -0.715 1.131 717 HD11 LEU 88 1HD1 LEU 88 4.496 0.057 1.186 718 HD12 LEU 88 2HD1 LEU 88 5.072 -0.019 -0.476 719 HD13 LEU 88 3HD1 LEU 88 4.939 1.538 0.341 720 HD21 LEU 88 1HD2 LEU 88 8.645 0.695 0.279 721 HD22 LEU 88 2HD2 LEU 88 7.479 1.912 -0.250 722 HD23 LEU 88 3HD2 LEU 88 7.489 0.314 -0.998 723 H SER 89 H SER 89 9.034 -1.212 4.824 724 HA SER 89 HA SER 89 7.065 -3.165 5.269 725 HB2 SER 89 2HB SER 89 8.549 -3.896 7.158 726 HB3 SER 89 1HB SER 89 9.410 -3.636 5.644 727 HG SER 89 HG SER 89 9.300 -1.823 7.841 728 H GLU 90 H GLU 90 7.687 -0.129 6.814 729 HA GLU 90 HA GLU 90 6.116 -0.539 9.190 730 HB2 GLU 90 2HB GLU 90 7.311 1.959 7.905 731 HB3 GLU 90 1HB GLU 90 6.419 2.003 9.422 732 HG2 GLU 90 2HG GLU 90 8.121 0.669 10.549 733 HG3 GLU 90 1HG GLU 90 8.961 0.353 9.033 734 H LEU 91 H LEU 91 5.356 0.348 5.918 735 HA LEU 91 HA LEU 91 2.810 1.634 6.472 736 HB2 LEU 91 2HB LEU 91 4.395 1.713 4.323 737 HB3 LEU 91 1HB LEU 91 3.502 0.294 3.824 738 HG LEU 91 HG LEU 91 2.254 3.020 4.385 739 HD11 LEU 91 1HD1 LEU 91 2.903 1.728 1.718 740 HD12 LEU 91 2HD1 LEU 91 3.720 3.122 2.433 741 HD13 LEU 91 3HD1 LEU 91 2.034 3.239 1.961 742 HD21 LEU 91 1HD2 LEU 91 0.642 1.197 4.716 743 HD22 LEU 91 2HD2 LEU 91 1.001 0.568 3.106 744 HD23 LEU 91 3HD2 LEU 91 0.244 2.152 3.290 745 H TYR 92 H TYR 92 3.938 -1.592 5.514 746 HA TYR 92 HA TYR 92 1.442 -2.907 5.425 747 HB2 TYR 92 2HB TYR 92 3.442 -3.771 4.302 748 HB3 TYR 92 1HB TYR 92 4.249 -3.984 5.846 749 HD1 TYR 92 HD1 TYR 92 0.920 -5.057 4.383 750 HD2 TYR 92 HD2 TYR 92 4.477 -6.231 6.428 751 HE1 TYR 92 HE1 TYR 92 0.134 -7.380 4.431 752 HE2 TYR 92 HE2 TYR 92 3.699 -8.539 6.484 753 HH TYR 92 HH TYR 92 1.665 -9.797 6.332 754 H LYS 93 H LYS 93 3.809 -2.307 7.952 755 HA LYS 93 HA LYS 93 2.677 -3.747 10.117 756 HB2 LYS 93 2HB LYS 93 5.032 -2.970 10.063 757 HB3 LYS 93 1HB LYS 93 4.501 -1.295 10.017 758 HG2 LYS 93 2HG LYS 93 5.327 -1.863 12.235 759 HG3 LYS 93 1HG LYS 93 3.597 -1.508 12.304 760 HD2 LYS 93 2HD LYS 93 3.083 -3.910 12.380 761 HD3 LYS 93 1HD LYS 93 4.799 -4.307 12.232 762 HE2 LYS 93 2HE LYS 93 5.261 -3.317 14.417 763 HE3 LYS 93 1HE LYS 93 3.596 -2.734 14.538 764 HZ1 LYS 93 1HZ LYS 93 4.395 -5.593 14.411 765 HZ2 LYS 93 2HZ LYS 93 2.821 -5.015 14.580 766 HZ3 LYS 93 3HZ LYS 93 3.946 -4.771 15.817 767 H PHE 94 H PHE 94 2.259 -0.471 8.867 768 HA PHE 94 HA PHE 94 0.825 0.701 10.978 769 HB2 PHE 94 2HB PHE 94 1.894 2.053 9.277 770 HB3 PHE 94 1HB PHE 94 0.951 1.311 7.998 771 HD1 PHE 94 HD1 PHE 94 0.504 3.397 11.106 772 HD2 PHE 94 HD2 PHE 94 -0.914 2.470 7.175 773 HE1 PHE 94 HE1 PHE 94 -1.097 5.247 11.236 774 HE2 PHE 94 HE2 PHE 94 -2.511 4.328 7.319 775 HZ PHE 94 HZ PHE 94 -2.608 5.717 9.352 776 H ILE 95 H ILE 95 -0.353 -0.982 8.024 777 HA ILE 95 HA ILE 95 -3.137 -0.499 8.683 778 HB ILE 95 HB ILE 95 -3.786 -1.667 6.749 779 HG12 ILE 95 2HG1 ILE 95 -1.135 -3.165 6.858 780 HG13 ILE 95 1HG1 ILE 95 -2.761 -3.804 6.950 781 HG21 ILE 95 1HG2 ILE 95 -1.117 -0.362 6.101 782 HG22 ILE 95 2HG2 ILE 95 -2.681 0.438 6.239 783 HG23 ILE 95 3HG2 ILE 95 -2.397 -0.713 4.934 784 HD11 ILE 95 1HD1 ILE 95 -3.136 -3.381 4.630 785 HD12 ILE 95 2HD1 ILE 95 -1.648 -4.307 4.838 786 HD13 ILE 95 3HD1 ILE 95 -1.566 -2.589 4.469 787 H THR 96 H THR 96 -0.946 -2.553 10.144 788 HA THR 96 HA THR 96 -3.074 -4.405 11.074 789 HB THR 96 HB THR 96 -1.131 -5.870 11.928 790 HG1 THR 96 HG1 THR 96 0.293 -4.013 10.346 791 HG21 THR 96 1HG2 THR 96 -2.433 -6.454 9.885 792 HG22 THR 96 2HG2 THR 96 -0.757 -6.998 9.821 793 HG23 THR 96 3HG2 THR 96 -1.247 -5.573 8.915 794 H SER 97 H SER 97 -1.764 -1.565 11.961 795 HA SER 97 HA SER 97 -0.884 -2.241 14.656 796 HB2 SER 97 2HB SER 97 -1.025 0.428 13.181 797 HB3 SER 97 1HB SER 97 -0.411 0.225 14.822 798 HG SER 97 HG SER 97 0.746 -1.557 13.168 799 H SER 98 H SER 98 -2.864 -3.077 15.513 800 HA SER 98 HA SER 98 -4.275 -2.895 17.268 801 HB2 SER 98 2HB SER 98 -2.439 -1.497 18.188 802 HB3 SER 98 1HB SER 98 -3.160 -0.062 17.465 803 HG SER 98 HG SER 98 -3.868 -0.069 19.540 804 H LYS 99 H LYS 99 -4.702 0.520 16.295 805 HA LYS 99 HA LYS 99 -7.497 0.545 16.350 806 HB2 LYS 99 2HB LYS 99 -7.272 2.667 15.005 807 HB3 LYS 99 1HB LYS 99 -6.282 2.613 16.461 808 HG2 LYS 99 2HG LYS 99 -4.310 1.968 15.052 809 HG3 LYS 99 1HG LYS 99 -5.318 2.170 13.614 810 HD2 LYS 99 2HD LYS 99 -5.592 4.556 14.082 811 HD3 LYS 99 1HD LYS 99 -4.725 4.394 15.616 812 HE2 LYS 99 2HE LYS 99 -2.674 3.785 14.419 813 HE3 LYS 99 1HE LYS 99 -3.533 3.855 12.875 814 HZ1 LYS 99 1HZ LYS 99 -3.096 6.135 14.720 815 HZ2 LYS 99 2HZ LYS 99 -3.946 6.210 13.269 816 HZ3 LYS 99 3HZ LYS 99 -2.294 5.880 13.256 817 H ALA 100 H ALA 100 -5.271 0.008 13.641 818 HA ALA 100 HA ALA 100 -7.527 -0.844 11.919 819 HB1 ALA 100 1HB ALA 100 -6.009 -0.466 10.030 820 HB2 ALA 100 2HB ALA 100 -4.704 -0.012 11.129 821 HB3 ALA 100 3HB ALA 100 -6.150 0.995 11.002 822 H SER 101 H SER 101 -7.681 -2.912 12.831 823 HA SER 101 HA SER 101 -6.184 -4.965 11.637 824 HB2 SER 101 2HB SER 101 -5.289 -6.008 13.821 825 HB3 SER 101 1HB SER 101 -4.407 -4.602 13.231 826 HG SER 101 HG SER 101 -5.412 -3.348 14.747 827 H ASN 102 H ASN 102 -7.995 -4.249 14.649 828 HA ASN 102 HA ASN 102 -10.473 -5.135 13.709 829 HB2 ASN 102 2HB ASN 102 -9.327 -7.436 14.039 830 HB3 ASN 102 1HB ASN 102 -9.347 -7.115 15.765 831 HD21 ASN 102 1HD2 ASN 102 -10.618 -9.282 14.421 832 HD22 ASN 102 2HD2 ASN 102 -12.315 -9.155 14.699 833 H LYS 103 H LYS 103 -10.435 -2.921 14.620 834 HA LYS 103 HA LYS 103 -11.619 -2.892 17.256 835 HB2 LYS 103 2HB LYS 103 -9.046 -2.724 17.608 836 HB3 LYS 103 1HB LYS 103 -9.137 -1.118 16.907 837 HG2 LYS 103 2HG LYS 103 -10.855 -1.869 19.288 838 HG3 LYS 103 1HG LYS 103 -9.174 -1.409 19.521 839 HD2 LYS 103 2HD LYS 103 -11.261 0.339 18.164 840 HD3 LYS 103 1HD LYS 103 -10.811 0.458 19.867 841 HE2 LYS 103 2HE LYS 103 -8.899 0.870 17.535 842 HE3 LYS 103 1HE LYS 103 -9.667 2.151 18.470 843 HZ1 LYS 103 1HZ LYS 103 -7.414 1.723 19.222 844 HZ2 LYS 103 2HZ LYS 103 -7.805 0.120 19.570 845 HZ3 LYS 103 3HZ LYS 103 -8.526 1.368 20.440 846 H ASN 104 H ASN 104 -10.104 -0.559 14.988 847 HA ASN 104 HA ASN 104 -12.684 0.876 14.705 848 HB2 ASN 104 2HB ASN 104 -9.892 1.673 13.739 849 HB3 ASN 104 1HB ASN 104 -11.350 2.614 13.455 850 HD21 ASN 104 1HD2 ASN 104 -8.918 3.407 14.785 851 HD22 ASN 104 2HD2 ASN 104 -9.346 3.854 16.400 852 H LEU 105 H LEU 105 -9.974 -0.042 12.558 853 HA LEU 105 HA LEU 105 -11.868 -1.186 10.575 854 HB2 LEU 105 2HB LEU 105 -9.326 0.258 9.717 855 HB3 LEU 105 1HB LEU 105 -10.735 -0.102 8.747 856 HG LEU 105 HG LEU 105 -10.751 2.057 10.899 857 HD11 LEU 105 1HD1 LEU 105 -10.264 3.708 9.161 858 HD12 LEU 105 2HD1 LEU 105 -10.092 2.432 7.953 859 HD13 LEU 105 3HD1 LEU 105 -8.948 2.546 9.294 860 HD21 LEU 105 1HD2 LEU 105 -12.540 3.081 9.403 861 HD22 LEU 105 2HD2 LEU 105 -13.022 1.633 10.250 862 HD23 LEU 105 3HD2 LEU 105 -12.599 1.548 8.533 863 H GLY 106 H GLY 106 -10.079 -2.055 8.757 864 HA2 GLY 106 2HA GLY 106 -7.829 -3.343 9.039 865 HA3 GLY 106 1HA GLY 106 -8.813 -4.316 10.143 866 H GLY 107 H GLY 107 -7.723 -5.556 7.952 867 HA2 GLY 107 2HA GLY 107 -9.512 -5.584 5.685 868 HA3 GLY 107 1HA GLY 107 -8.130 -6.633 5.961 869 H GLY 108 H GLY 108 -11.370 -6.041 7.356 870 HA2 GLY 108 2HA GLY 108 -13.114 -7.399 7.865 871 HA3 GLY 108 1HA GLY 108 -12.440 -8.571 6.748 872 H LEU 109 H LEU 109 -13.492 -9.968 8.439 873 HA LEU 109 HA LEU 109 -11.912 -10.459 10.859 874 HB2 LEU 109 2HB LEU 109 -14.417 -11.825 9.771 875 HB3 LEU 109 1HB LEU 109 -13.651 -12.223 11.301 876 HG LEU 109 HG LEU 109 -14.977 -9.568 10.612 877 HD11 LEU 109 1HD1 LEU 109 -16.601 -11.357 10.997 878 HD12 LEU 109 2HD1 LEU 109 -16.644 -10.186 12.310 879 HD13 LEU 109 3HD1 LEU 109 -15.846 -11.744 12.547 880 HD21 LEU 109 1HD2 LEU 109 -13.621 -10.409 13.201 881 HD22 LEU 109 2HD2 LEU 109 -14.565 -8.935 12.962 882 HD23 LEU 109 3HD2 LEU 109 -13.064 -9.166 12.074 883 H ILE 110 H ILE 110 -12.491 -11.832 7.686 884 HA ILE 110 HA ILE 110 -11.633 -13.482 6.449 885 HB ILE 110 HB ILE 110 -9.171 -13.071 8.228 886 HG12 ILE 110 2HG1 ILE 110 -9.874 -11.066 6.957 887 HG13 ILE 110 1HG1 ILE 110 -8.321 -11.673 6.392 888 HG21 ILE 110 1HG2 ILE 110 -9.225 -14.531 5.539 889 HG22 ILE 110 2HG2 ILE 110 -8.998 -15.287 7.118 890 HG23 ILE 110 3HG2 ILE 110 -7.795 -14.157 6.503 891 HD11 ILE 110 1HD1 ILE 110 -9.644 -11.002 4.533 892 HD12 ILE 110 2HD1 ILE 110 -10.996 -12.005 5.043 893 HD13 ILE 110 3HD1 ILE 110 -9.496 -12.756 4.485 894 H MET 111 H MET 111 -13.014 -15.121 6.971 895 HA MET 111 HA MET 111 -12.789 -16.824 9.267 896 HB2 MET 111 2HB MET 111 -14.934 -16.418 8.061 897 HB3 MET 111 1HB MET 111 -14.298 -17.218 6.632 898 HG2 MET 111 2HG MET 111 -14.191 -19.344 7.848 899 HG3 MET 111 1HG MET 111 -14.772 -18.548 9.315 900 HE1 MET 111 1HE MET 111 -16.713 -20.306 9.566 901 HE2 MET 111 2HE MET 111 -16.227 -21.166 8.103 902 HE3 MET 111 3HE MET 111 -17.905 -20.663 8.320 903 H SER 112 H SER 112 -11.465 -16.863 6.032 904 HA SER 112 HA SER 112 -10.118 -19.458 6.519 905 HB2 SER 112 2HB SER 112 -11.318 -18.453 3.889 906 HB3 SER 112 1HB SER 112 -10.373 -19.930 4.081 907 HG SER 112 HG SER 112 -11.979 -20.797 5.341 908 H TRP 113 H TRP 113 -8.134 -18.561 7.142 909 HA TRP 113 HA TRP 113 -6.806 -16.450 5.715 910 HB2 TRP 113 2HB TRP 113 -6.337 -16.919 8.109 911 HB3 TRP 113 1HB TRP 113 -5.637 -18.476 7.677 912 HD1 TRP 113 HD1 TRP 113 -3.045 -18.418 7.554 913 HE1 TRP 113 HE1 TRP 113 -1.254 -16.623 7.170 914 HE3 TRP 113 HE3 TRP 113 -6.069 -14.387 6.659 915 HZ2 TRP 113 HZ2 TRP 113 -1.116 -13.882 6.562 916 HZ3 TRP 113 HZ3 TRP 113 -5.035 -12.210 6.168 917 HH2 TRP 113 HH2 TRP 113 -2.603 -11.968 6.120 918 H GLY 114 H GLY 114 -6.767 -19.953 5.520 919 HA2 GLY 114 2HA GLY 114 -4.511 -20.309 3.844 920 HA3 GLY 114 1HA GLY 114 -5.832 -21.443 4.058 921 H ARG 115 H ARG 115 -7.554 -18.989 3.123 922 HA ARG 115 HA ARG 115 -7.214 -19.322 0.220 923 HB2 ARG 115 2HB ARG 115 -9.473 -19.637 1.166 924 HB3 ARG 115 1HB ARG 115 -9.448 -18.013 1.850 925 HG2 ARG 115 2HG ARG 115 -9.395 -17.044 -0.426 926 HG3 ARG 115 1HG ARG 115 -9.353 -18.665 -1.127 927 HD2 ARG 115 2HD ARG 115 -11.616 -17.467 0.507 928 HD3 ARG 115 1HD ARG 115 -11.620 -17.769 -1.238 929 HE ARG 115 HE ARG 115 -11.067 -20.173 0.135 930 HH11 ARG 115 1HH1 ARG 115 -13.783 -18.019 -0.455 931 HH12 ARG 115 2HH1 ARG 115 -14.961 -19.275 -0.266 932 HH21 ARG 115 1HH2 ARG 115 -12.588 -21.785 0.388 933 HH22 ARG 115 2HH2 ARG 115 -14.280 -21.431 0.216 934 H LEU 116 H LEU 116 -5.764 -17.908 -0.631 935 HA LEU 116 HA LEU 116 -6.000 -15.057 -0.236 936 HB2 LEU 116 2HB LEU 116 -4.694 -15.775 1.798 937 HB3 LEU 116 1HB LEU 116 -3.475 -16.469 0.744 938 HG LEU 116 HG LEU 116 -2.922 -14.187 -0.113 939 HD11 LEU 116 1HD1 LEU 116 -5.073 -13.082 0.186 940 HD12 LEU 116 2HD1 LEU 116 -3.791 -12.190 1.002 941 HD13 LEU 116 3HD1 LEU 116 -4.906 -13.187 1.941 942 HD21 LEU 116 1HD2 LEU 116 -2.797 -14.394 2.914 943 HD22 LEU 116 2HD2 LEU 116 -1.773 -13.382 1.889 944 HD23 LEU 116 3HD2 LEU 116 -1.663 -15.137 1.783 945 H PHE 117 H PHE 117 -6.261 -15.038 -2.469 946 HA PHE 117 HA PHE 117 -3.840 -14.980 -4.035 947 HB2 PHE 117 2HB PHE 117 -4.627 -16.545 -5.828 948 HB3 PHE 117 1HB PHE 117 -4.249 -17.344 -4.316 949 HD1 PHE 117 HD1 PHE 117 -6.695 -17.020 -6.912 950 HD2 PHE 117 HD2 PHE 117 -6.276 -17.934 -2.755 951 HE1 PHE 117 HE1 PHE 117 -8.873 -18.159 -6.941 952 HE2 PHE 117 HE2 PHE 117 -8.454 -19.069 -2.788 953 HZ PHE 117 HZ PHE 117 -9.759 -19.181 -4.878 Start of MODEL 15 1 H1 MET 1 1H MET 1 -17.702 37.268 5.423 2 H2 MET 1 2H MET 1 -19.058 36.261 5.358 3 H3 MET 1 3H MET 1 -17.828 36.101 4.210 4 HA MET 1 HA MET 1 -17.740 34.343 5.852 5 HB2 MET 1 2HB MET 1 -15.408 36.304 6.111 6 HB3 MET 1 1HB MET 1 -15.343 34.583 6.466 7 HG2 MET 1 2HG MET 1 -14.288 34.988 4.337 8 HG3 MET 1 1HG MET 1 -15.798 34.119 4.049 9 HE1 MET 1 1HE MET 1 -15.442 36.509 0.893 10 HE2 MET 1 2HE MET 1 -15.653 34.838 1.407 11 HE3 MET 1 3HE MET 1 -14.144 35.681 1.753 12 H SER 2 H SER 2 -18.908 34.076 7.701 13 HA SER 2 HA SER 2 -18.132 35.387 10.158 14 HB2 SER 2 2HB SER 2 -20.407 36.336 10.650 15 HB3 SER 2 1HB SER 2 -19.616 37.128 9.291 16 HG SER 2 HG SER 2 -21.876 36.564 8.942 17 H GLY 3 H GLY 3 -20.927 33.660 8.723 18 HA2 GLY 3 2HA GLY 3 -20.586 31.289 10.306 19 HA3 GLY 3 1HA GLY 3 -21.874 32.317 10.929 20 H SER 4 H SER 4 -20.717 30.785 7.954 21 HA SER 4 HA SER 4 -23.378 29.799 7.267 22 HB2 SER 4 2HB SER 4 -23.205 30.725 4.921 23 HB3 SER 4 1HB SER 4 -23.362 31.990 6.138 24 HG SER 4 HG SER 4 -21.721 32.623 4.813 25 H HIS 5 H HIS 5 -23.183 28.304 5.266 26 HA HIS 5 HA HIS 5 -20.685 26.763 5.414 27 HB2 HIS 5 2HB HIS 5 -21.871 25.041 4.109 28 HB3 HIS 5 1HB HIS 5 -22.800 25.506 5.523 29 HD1 HIS 5 HD1 HIS 5 -25.172 26.301 5.136 30 HD2 HIS 5 HD2 HIS 5 -22.991 25.971 1.607 31 HE1 HIS 5 HE1 HIS 5 -26.842 26.559 3.274 32 HE2 HIS 5 HE2 HIS 5 -25.490 26.467 1.164 33 H HIS 6 H HIS 6 -22.196 29.122 3.430 34 HA HIS 6 HA HIS 6 -20.918 28.713 0.948 35 HB2 HIS 6 2HB HIS 6 -22.820 30.258 1.243 36 HB3 HIS 6 1HB HIS 6 -21.850 31.303 2.270 37 HD1 HIS 6 HD1 HIS 6 -22.415 30.377 -1.311 38 HD2 HIS 6 HD2 HIS 6 -20.079 33.007 0.885 39 HE1 HIS 6 HE1 HIS 6 -21.443 31.966 -2.987 40 HE2 HIS 6 HE2 HIS 6 -19.872 33.407 -1.662 41 H HIS 7 H HIS 7 -18.774 28.839 0.452 42 HA HIS 7 HA HIS 7 -16.946 30.680 1.762 43 HB2 HIS 7 2HB HIS 7 -16.823 27.680 2.260 44 HB3 HIS 7 1HB HIS 7 -15.348 28.646 2.303 45 HD1 HIS 7 HD1 HIS 7 -18.036 27.472 4.415 46 HD2 HIS 7 HD2 HIS 7 -15.528 30.793 4.356 47 HE1 HIS 7 HE1 HIS 7 -18.117 28.426 6.737 48 HE2 HIS 7 HE2 HIS 7 -16.739 30.519 6.626 49 H HIS 8 H HIS 8 -14.620 30.179 0.969 50 HA HIS 8 HA HIS 8 -14.511 29.704 -1.880 51 HB2 HIS 8 2HB HIS 8 -12.997 31.335 -0.686 52 HB3 HIS 8 1HB HIS 8 -12.227 29.982 0.133 53 HD1 HIS 8 HD1 HIS 8 -10.437 28.712 -1.150 54 HD2 HIS 8 HD2 HIS 8 -12.390 31.551 -3.464 55 HE1 HIS 8 HE1 HIS 8 -9.158 28.825 -3.306 56 HE2 HIS 8 HE2 HIS 8 -10.250 30.669 -4.605 57 H HIS 9 H HIS 9 -15.160 27.620 -2.273 58 HA HIS 9 HA HIS 9 -14.237 25.377 -0.644 59 HB2 HIS 9 2HB HIS 9 -16.136 25.478 -3.020 60 HB3 HIS 9 1HB HIS 9 -15.806 24.048 -2.050 61 HD1 HIS 9 HD1 HIS 9 -16.515 24.319 0.592 62 HD2 HIS 9 HD2 HIS 9 -18.183 27.011 -2.078 63 HE1 HIS 9 HE1 HIS 9 -18.499 25.285 1.767 64 HE2 HIS 9 HE2 HIS 9 -19.606 26.739 0.055 65 H HIS 10 H HIS 10 -12.877 27.010 -3.143 66 HA HIS 10 HA HIS 10 -11.133 26.690 -4.516 67 HB2 HIS 10 2HB HIS 10 -10.800 24.042 -3.067 68 HB3 HIS 10 1HB HIS 10 -9.645 24.680 -4.226 69 HD1 HIS 10 HD1 HIS 10 -7.881 26.214 -3.327 70 HD2 HIS 10 HD2 HIS 10 -11.040 25.714 -0.668 71 HE1 HIS 10 HE1 HIS 10 -7.168 27.350 -1.219 72 HE2 HIS 10 HE2 HIS 10 -9.034 26.958 0.406 73 H SER 11 H SER 11 -12.475 23.367 -4.442 74 HA SER 11 HA SER 11 -13.704 23.814 -7.083 75 HB2 SER 11 2HB SER 11 -11.685 22.541 -7.556 76 HB3 SER 11 1HB SER 11 -12.054 21.366 -6.290 77 HG SER 11 HG SER 11 -12.611 20.862 -8.606 78 H SER 12 H SER 12 -13.449 21.096 -4.744 79 HA SER 12 HA SER 12 -14.941 19.773 -3.725 80 HB2 SER 12 2HB SER 12 -16.617 22.317 -3.623 81 HB3 SER 12 1HB SER 12 -16.901 20.869 -2.651 82 HG SER 12 HG SER 12 -14.325 21.853 -2.570 83 H GLY 13 H GLY 13 -15.015 19.879 -6.646 84 HA2 GLY 13 2HA GLY 13 -17.399 18.334 -7.109 85 HA3 GLY 13 1HA GLY 13 -17.454 19.891 -7.931 86 H ILE 14 H ILE 14 -17.264 17.115 -8.978 87 HA ILE 14 HA ILE 14 -16.176 15.637 -10.215 88 HB ILE 14 HB ILE 14 -15.172 16.270 -12.307 89 HG12 ILE 14 2HG1 ILE 14 -15.063 19.160 -11.288 90 HG13 ILE 14 1HG1 ILE 14 -13.699 18.131 -11.697 91 HG21 ILE 14 1HG2 ILE 14 -17.569 17.994 -11.616 92 HG22 ILE 14 2HG2 ILE 14 -17.586 16.308 -12.141 93 HG23 ILE 14 3HG2 ILE 14 -17.045 17.567 -13.247 94 HD11 ILE 14 1HD1 ILE 14 -15.750 19.159 -13.659 95 HD12 ILE 14 2HD1 ILE 14 -14.374 18.127 -14.037 96 HD13 ILE 14 3HD1 ILE 14 -14.105 19.768 -13.453 97 H GLU 15 H GLU 15 -13.561 18.056 -9.763 98 HA GLU 15 HA GLU 15 -11.557 16.115 -9.071 99 HB2 GLU 15 2HB GLU 15 -11.339 18.587 -9.934 100 HB3 GLU 15 1HB GLU 15 -11.612 19.065 -8.275 101 HG2 GLU 15 2HG GLU 15 -9.303 17.366 -9.245 102 HG3 GLU 15 1HG GLU 15 -9.242 19.095 -8.945 103 H GLY 16 H GLY 16 -11.140 15.275 -6.970 104 HA2 GLY 16 2HA GLY 16 -12.289 16.369 -4.549 105 HA3 GLY 16 1HA GLY 16 -13.145 14.944 -5.117 106 H ARG 17 H ARG 17 -9.756 15.254 -5.669 107 HA ARG 17 HA ARG 17 -9.095 12.833 -4.299 108 HB2 ARG 17 2HB ARG 17 -7.303 14.963 -5.544 109 HB3 ARG 17 1HB ARG 17 -6.770 13.364 -5.025 110 HG2 ARG 17 2HG ARG 17 -8.155 12.300 -6.721 111 HG3 ARG 17 1HG ARG 17 -8.826 13.864 -7.197 112 HD2 ARG 17 2HD ARG 17 -7.073 13.086 -8.756 113 HD3 ARG 17 1HD ARG 17 -6.627 14.607 -7.978 114 HE ARG 17 HE ARG 17 -5.572 12.455 -6.491 115 HH11 ARG 17 1HH1 ARG 17 -5.017 14.037 -9.597 116 HH12 ARG 17 2HH1 ARG 17 -3.341 13.603 -9.651 117 HH21 ARG 17 1HH2 ARG 17 -3.373 11.899 -6.568 118 HH22 ARG 17 2HH2 ARG 17 -2.401 12.383 -7.923 119 H GLY 18 H GLY 18 -9.434 13.049 -2.083 120 HA2 GLY 18 2HA GLY 18 -7.804 13.381 -0.172 121 HA3 GLY 18 1HA GLY 18 -7.872 15.090 -0.597 122 H ARG 19 H ARG 19 -8.885 15.967 1.164 123 HA ARG 19 HA ARG 19 -10.853 14.663 2.733 124 HB2 ARG 19 2HB ARG 19 -11.112 16.813 3.898 125 HB3 ARG 19 1HB ARG 19 -9.422 16.421 3.647 126 HG2 ARG 19 2HG ARG 19 -9.393 17.995 1.696 127 HG3 ARG 19 1HG ARG 19 -11.044 18.455 2.104 128 HD2 ARG 19 2HD ARG 19 -10.220 19.182 4.360 129 HD3 ARG 19 1HD ARG 19 -8.571 18.846 3.817 130 HE ARG 19 HE ARG 19 -9.966 20.617 2.046 131 HH11 ARG 19 1HH1 ARG 19 -8.134 20.566 5.050 132 HH12 ARG 19 2HH1 ARG 19 -7.677 22.232 4.935 133 HH21 ARG 19 1HH2 ARG 19 -9.397 22.804 1.928 134 HH22 ARG 19 2HH2 ARG 19 -8.402 23.501 3.164 135 H MET 20 H MET 20 -11.093 16.542 -0.166 136 HA MET 20 HA MET 20 -13.736 17.496 -0.033 137 HB2 MET 20 2HB MET 20 -12.045 16.730 -2.430 138 HB3 MET 20 1HB MET 20 -13.582 17.579 -2.547 139 HG2 MET 20 2HG MET 20 -11.195 18.660 -1.030 140 HG3 MET 20 1HG MET 20 -11.527 19.016 -2.719 141 HE1 MET 20 1HE MET 20 -13.445 19.105 0.833 142 HE2 MET 20 2HE MET 20 -13.647 20.854 0.919 143 HE3 MET 20 3HE MET 20 -12.027 20.156 0.879 144 H LYS 21 H LYS 21 -12.516 14.285 -0.746 145 HA LYS 21 HA LYS 21 -15.325 13.326 -0.801 146 HB2 LYS 21 2HB LYS 21 -13.840 12.592 -2.729 147 HB3 LYS 21 1HB LYS 21 -12.796 11.787 -1.568 148 HG2 LYS 21 2HG LYS 21 -14.095 10.065 -2.448 149 HG3 LYS 21 1HG LYS 21 -14.880 10.400 -0.914 150 HD2 LYS 21 2HD LYS 21 -15.863 11.683 -3.474 151 HD3 LYS 21 1HD LYS 21 -16.317 10.032 -3.074 152 HE2 LYS 21 2HE LYS 21 -17.392 10.760 -1.041 153 HE3 LYS 21 1HE LYS 21 -16.833 12.416 -1.283 154 HZ1 LYS 21 1HZ LYS 21 -18.629 10.982 -3.173 155 HZ2 LYS 21 2HZ LYS 21 -18.220 12.620 -3.209 156 HZ3 LYS 21 3HZ LYS 21 -19.179 12.017 -1.955 157 H LYS 22 H LYS 22 -15.493 13.732 1.453 158 HA LYS 22 HA LYS 22 -13.751 12.804 3.445 159 HB2 LYS 22 2HB LYS 22 -15.448 14.536 3.906 160 HB3 LYS 22 1HB LYS 22 -16.750 13.375 3.652 161 HG2 LYS 22 2HG LYS 22 -15.930 12.071 5.621 162 HG3 LYS 22 1HG LYS 22 -14.684 13.287 5.885 163 HD2 LYS 22 2HD LYS 22 -16.480 14.991 6.269 164 HD3 LYS 22 1HD LYS 22 -17.689 13.719 6.069 165 HE2 LYS 22 2HE LYS 22 -16.642 12.505 8.000 166 HE3 LYS 22 1HE LYS 22 -15.577 13.889 8.240 167 HZ1 LYS 22 1HZ LYS 22 -17.394 14.097 9.733 168 HZ2 LYS 22 2HZ LYS 22 -18.536 13.832 8.517 169 HZ3 LYS 22 3HZ LYS 22 -17.634 15.257 8.527 170 H LYS 23 H LYS 23 -13.160 10.709 3.484 171 HA LYS 23 HA LYS 23 -15.255 8.682 4.057 172 HB2 LYS 23 2HB LYS 23 -12.464 8.148 2.935 173 HB3 LYS 23 1HB LYS 23 -13.693 6.939 3.286 174 HG2 LYS 23 2HG LYS 23 -15.148 8.065 1.529 175 HG3 LYS 23 1HG LYS 23 -13.734 9.022 1.090 176 HD2 LYS 23 2HD LYS 23 -13.917 5.989 1.016 177 HD3 LYS 23 1HD LYS 23 -14.012 7.053 -0.382 178 HE2 LYS 23 2HE LYS 23 -11.598 6.712 1.421 179 HE3 LYS 23 1HE LYS 23 -11.791 6.024 -0.189 180 HZ1 LYS 23 1HZ LYS 23 -10.490 7.965 -0.390 181 HZ2 LYS 23 2HZ LYS 23 -11.567 8.892 0.512 182 HZ3 LYS 23 3HZ LYS 23 -12.013 8.343 -1.021 183 H GLN 24 H GLN 24 -11.733 9.004 4.511 184 HA GLN 24 HA GLN 24 -11.983 9.397 7.406 185 HB2 GLN 24 2HB GLN 24 -10.331 7.153 6.141 186 HB3 GLN 24 1HB GLN 24 -10.104 7.716 7.791 187 HG2 GLN 24 2HG GLN 24 -12.395 6.986 8.355 188 HG3 GLN 24 1HG GLN 24 -12.619 6.425 6.700 189 HE21 GLN 24 1HE2 GLN 24 -9.639 6.008 8.569 190 HE22 GLN 24 2HE2 GLN 24 -9.748 4.292 8.678 191 H ILE 25 H ILE 25 -10.916 11.354 7.559 192 HA ILE 25 HA ILE 25 -9.200 12.227 5.414 193 HB ILE 25 HB ILE 25 -10.288 13.594 7.910 194 HG12 ILE 25 2HG1 ILE 25 -11.267 15.255 6.418 195 HG13 ILE 25 1HG1 ILE 25 -10.373 14.670 5.030 196 HG21 ILE 25 1HG2 ILE 25 -9.013 15.673 7.446 197 HG22 ILE 25 2HG2 ILE 25 -8.084 14.816 6.216 198 HG23 ILE 25 3HG2 ILE 25 -7.963 14.334 7.905 199 HD11 ILE 25 1HD1 ILE 25 -12.651 13.288 6.443 200 HD12 ILE 25 2HD1 ILE 25 -11.754 12.616 5.077 201 HD13 ILE 25 3HD1 ILE 25 -12.686 14.090 4.879 202 H GLU 26 H GLU 26 -8.670 11.537 8.895 203 HA GLU 26 HA GLU 26 -5.917 12.266 8.912 204 HB2 GLU 26 2HB GLU 26 -7.194 12.163 10.997 205 HB3 GLU 26 1HB GLU 26 -7.485 10.442 10.790 206 HG2 GLU 26 2HG GLU 26 -5.140 9.952 11.131 207 HG3 GLU 26 1HG GLU 26 -4.735 11.666 11.180 208 H PHE 27 H PHE 27 -7.548 9.120 8.635 209 HA PHE 27 HA PHE 27 -5.201 7.514 8.640 210 HB2 PHE 27 2HB PHE 27 -7.694 6.840 9.122 211 HB3 PHE 27 1HB PHE 27 -7.809 6.597 7.383 212 HD1 PHE 27 HD1 PHE 27 -6.059 5.509 10.469 213 HD2 PHE 27 HD2 PHE 27 -6.855 4.571 6.371 214 HE1 PHE 27 HE1 PHE 27 -5.110 3.276 10.784 215 HE2 PHE 27 HE2 PHE 27 -5.889 2.322 6.736 216 HZ PHE 27 HZ PHE 27 -5.025 1.686 8.919 217 H GLU 28 H GLU 28 -7.069 9.078 6.080 218 HA GLU 28 HA GLU 28 -5.713 7.719 3.928 219 HB2 GLU 28 2HB GLU 28 -7.633 10.041 3.950 220 HB3 GLU 28 1HB GLU 28 -6.757 9.589 2.484 221 HG2 GLU 28 2HG GLU 28 -7.679 7.250 2.757 222 HG3 GLU 28 1HG GLU 28 -8.692 7.895 4.054 223 H ASN 29 H ASN 29 -5.415 10.891 5.492 224 HA ASN 29 HA ASN 29 -3.389 11.951 3.880 225 HB2 ASN 29 2HB ASN 29 -3.983 12.378 6.846 226 HB3 ASN 29 1HB ASN 29 -2.637 13.188 6.041 227 HD21 ASN 29 1HD2 ASN 29 -3.492 15.227 6.379 228 HD22 ASN 29 2HD2 ASN 29 -4.877 15.813 5.533 229 H GLU 30 H GLU 30 -3.241 9.676 6.595 230 HA GLU 30 HA GLU 30 -0.352 9.789 6.796 231 HB2 GLU 30 2HB GLU 30 -2.417 8.011 8.137 232 HB3 GLU 30 1HB GLU 30 -0.689 7.839 8.412 233 HG2 GLU 30 2HG GLU 30 -2.424 10.221 9.132 234 HG3 GLU 30 1HG GLU 30 -1.638 9.095 10.220 235 H LEU 31 H LEU 31 -2.721 7.399 5.587 236 HA LEU 31 HA LEU 31 -0.800 5.413 4.799 237 HB2 LEU 31 2HB LEU 31 -3.131 4.724 5.134 238 HB3 LEU 31 1HB LEU 31 -3.666 5.715 3.800 239 HG LEU 31 HG LEU 31 -1.702 3.488 3.208 240 HD11 LEU 31 1HD1 LEU 31 -3.337 2.276 4.538 241 HD12 LEU 31 2HD1 LEU 31 -3.493 1.838 2.850 242 HD13 LEU 31 3HD1 LEU 31 -4.667 2.934 3.575 243 HD21 LEU 31 1HD2 LEU 31 -2.303 4.927 1.328 244 HD22 LEU 31 2HD2 LEU 31 -4.018 4.560 1.550 245 HD23 LEU 31 3HD2 LEU 31 -2.897 3.290 1.073 246 H ARG 32 H ARG 32 -2.299 8.125 3.098 247 HA ARG 32 HA ARG 32 -1.233 7.406 0.546 248 HB2 ARG 32 2HB ARG 32 -3.401 8.560 0.811 249 HB3 ARG 32 1HB ARG 32 -2.571 9.981 1.424 250 HG2 ARG 32 2HG ARG 32 -3.332 10.158 -0.943 251 HG3 ARG 32 1HG ARG 32 -1.614 10.434 -0.724 252 HD2 ARG 32 2HD ARG 32 -1.250 8.004 -1.422 253 HD3 ARG 32 1HD ARG 32 -2.960 7.969 -1.861 254 HE ARG 32 HE ARG 32 -2.470 9.131 -3.749 255 HH11 ARG 32 1HH1 ARG 32 0.259 9.608 -1.557 256 HH12 ARG 32 2HH1 ARG 32 1.196 10.451 -2.748 257 HH21 ARG 32 1HH2 ARG 32 -1.217 10.244 -5.259 258 HH22 ARG 32 2HH2 ARG 32 0.368 10.813 -4.833 259 H SER 33 H SER 33 -0.240 9.442 3.224 260 HA SER 33 HA SER 33 1.770 11.010 2.058 261 HB2 SER 33 2HB SER 33 0.927 11.359 4.370 262 HB3 SER 33 1HB SER 33 1.719 9.873 4.891 263 HG SER 33 HG SER 33 3.028 11.635 5.388 264 H MET 34 H MET 34 2.173 7.833 3.748 265 HA MET 34 HA MET 34 4.939 7.610 2.987 266 HB2 MET 34 2HB MET 34 3.052 5.468 4.058 267 HB3 MET 34 1HB MET 34 4.767 5.230 3.798 268 HG2 MET 34 2HG MET 34 4.811 5.634 6.050 269 HG3 MET 34 1HG MET 34 4.922 7.304 5.523 270 HE1 MET 34 1HE MET 34 1.103 5.250 7.107 271 HE2 MET 34 2HE MET 34 2.709 4.530 7.168 272 HE3 MET 34 3HE MET 34 1.908 4.756 5.615 273 H LEU 35 H LEU 35 1.877 6.584 1.554 274 HA LEU 35 HA LEU 35 2.994 4.775 -0.338 275 HB2 LEU 35 2HB LEU 35 0.519 4.947 0.224 276 HB3 LEU 35 1HB LEU 35 0.458 6.389 -0.748 277 HG LEU 35 HG LEU 35 1.353 3.848 -2.104 278 HD11 LEU 35 1HD1 LEU 35 -0.602 3.136 -0.813 279 HD12 LEU 35 2HD1 LEU 35 -0.895 3.129 -2.540 280 HD13 LEU 35 3HD1 LEU 35 -1.556 4.429 -1.550 281 HD21 LEU 35 1HD2 LEU 35 -0.377 6.161 -3.019 282 HD22 LEU 35 2HD2 LEU 35 0.190 4.821 -4.022 283 HD23 LEU 35 3HD2 LEU 35 1.344 5.972 -3.357 284 H ALA 36 H ALA 36 2.588 8.258 -0.336 285 HA ALA 36 HA ALA 36 3.263 8.900 -2.979 286 HB1 ALA 36 1HB ALA 36 3.901 11.114 -2.104 287 HB2 ALA 36 2HB ALA 36 3.855 10.477 -0.456 288 HB3 ALA 36 3HB ALA 36 2.384 10.559 -1.415 289 H THR 37 H THR 37 5.323 8.649 -0.081 290 HA THR 37 HA THR 37 7.823 9.082 -1.198 291 HB THR 37 HB THR 37 7.103 7.190 1.095 292 HG1 THR 37 HG1 THR 37 7.751 9.974 1.098 293 HG21 THR 37 1HG2 THR 37 9.420 6.817 0.370 294 HG22 THR 37 2HG2 THR 37 9.376 7.599 1.953 295 HG23 THR 37 3HG2 THR 37 9.767 8.535 0.504 296 H ALA 38 H ALA 38 6.004 6.047 -0.857 297 HA ALA 38 HA ALA 38 7.967 4.331 -1.950 298 HB1 ALA 38 1HB ALA 38 6.231 2.637 -1.939 299 HB2 ALA 38 2HB ALA 38 4.984 3.870 -1.749 300 HB3 ALA 38 3HB ALA 38 6.154 3.601 -0.471 301 H LEU 39 H LEU 39 5.375 6.207 -3.538 302 HA LEU 39 HA LEU 39 5.625 4.997 -6.136 303 HB2 LEU 39 2HB LEU 39 4.719 7.837 -5.482 304 HB3 LEU 39 1HB LEU 39 4.507 7.051 -7.030 305 HG LEU 39 HG LEU 39 3.082 6.201 -4.478 306 HD11 LEU 39 1HD1 LEU 39 1.089 7.291 -5.387 307 HD12 LEU 39 2HD1 LEU 39 2.042 7.906 -6.742 308 HD13 LEU 39 3HD1 LEU 39 2.396 8.439 -5.099 309 HD21 LEU 39 1HD2 LEU 39 2.727 5.295 -7.347 310 HD22 LEU 39 2HD2 LEU 39 1.528 5.029 -6.084 311 HD23 LEU 39 3HD2 LEU 39 3.115 4.303 -5.936 312 H GLU 40 H GLU 40 7.356 7.499 -4.440 313 HA GLU 40 HA GLU 40 8.957 8.324 -6.731 314 HB2 GLU 40 2HB GLU 40 9.212 8.998 -3.770 315 HB3 GLU 40 1HB GLU 40 10.155 9.737 -5.059 316 HG2 GLU 40 2HG GLU 40 8.202 10.798 -5.993 317 HG3 GLU 40 1HG GLU 40 7.131 9.909 -4.915 318 H LYS 41 H LYS 41 9.150 6.005 -4.142 319 HA LYS 41 HA LYS 41 11.998 5.485 -4.398 320 HB2 LYS 41 2HB LYS 41 9.785 4.067 -2.851 321 HB3 LYS 41 1HB LYS 41 11.456 3.521 -2.848 322 HG2 LYS 41 2HG LYS 41 10.456 6.189 -1.848 323 HG3 LYS 41 1HG LYS 41 10.898 4.796 -0.844 324 HD2 LYS 41 2HD LYS 41 13.242 4.925 -1.671 325 HD3 LYS 41 1HD LYS 41 12.821 6.254 -2.731 326 HE2 LYS 41 2HE LYS 41 12.537 7.752 -0.744 327 HE3 LYS 41 1HE LYS 41 12.936 6.395 0.332 328 HZ1 LYS 41 1HZ LYS 41 14.713 7.481 -1.786 329 HZ2 LYS 41 2HZ LYS 41 15.091 6.238 -0.703 330 HZ3 LYS 41 3HZ LYS 41 14.841 7.807 -0.129 331 H ASP 42 H ASP 42 12.888 3.493 -5.137 332 HA ASP 42 HA ASP 42 11.673 2.420 -7.507 333 HB2 ASP 42 2HB ASP 42 14.168 1.497 -6.009 334 HB3 ASP 42 1HB ASP 42 13.691 0.954 -7.617 335 H ILE 43 H ILE 43 9.713 1.601 -6.662 336 HA ILE 43 HA ILE 43 9.811 -0.912 -5.133 337 HB ILE 43 HB ILE 43 7.276 -0.793 -5.242 338 HG12 ILE 43 2HG1 ILE 43 7.789 1.953 -6.496 339 HG13 ILE 43 1HG1 ILE 43 6.974 0.594 -7.252 340 HG21 ILE 43 1HG2 ILE 43 7.055 0.954 -3.517 341 HG22 ILE 43 2HG2 ILE 43 8.641 1.593 -3.949 342 HG23 ILE 43 3HG2 ILE 43 8.500 -0.026 -3.263 343 HD11 ILE 43 1HD1 ILE 43 5.934 2.113 -4.863 344 HD12 ILE 43 2HD1 ILE 43 5.099 0.836 -5.750 345 HD13 ILE 43 3HD1 ILE 43 5.449 2.368 -6.537 346 H SER 44 H SER 44 9.194 -2.877 -6.051 347 HA SER 44 HA SER 44 9.880 -3.290 -8.802 348 HB2 SER 44 2HB SER 44 9.283 -5.692 -8.352 349 HB3 SER 44 1HB SER 44 10.309 -5.021 -7.097 350 HG SER 44 HG SER 44 8.648 -5.020 -5.715 351 H GLN 45 H GLN 45 8.528 -4.002 -10.582 352 HA GLN 45 HA GLN 45 6.288 -2.822 -11.300 353 HB2 GLN 45 2HB GLN 45 7.676 -4.392 -12.651 354 HB3 GLN 45 1HB GLN 45 6.868 -5.751 -11.886 355 HG2 GLN 45 2HG GLN 45 4.697 -4.854 -12.855 356 HG3 GLN 45 1HG GLN 45 5.674 -3.699 -13.761 357 HE21 GLN 45 1HE2 GLN 45 6.528 -7.080 -13.095 358 HE22 GLN 45 2HE2 GLN 45 6.472 -7.600 -14.737 359 H GLU 46 H GLU 46 6.284 -5.603 -9.070 360 HA GLU 46 HA GLU 46 3.423 -6.085 -9.237 361 HB2 GLU 46 2HB GLU 46 5.509 -7.254 -7.346 362 HB3 GLU 46 1HB GLU 46 3.829 -7.776 -7.442 363 HG2 GLU 46 2HG GLU 46 5.205 -9.366 -8.606 364 HG3 GLU 46 1HG GLU 46 4.204 -8.508 -9.773 365 H GLU 47 H GLU 47 5.667 -4.567 -6.914 366 HA GLU 47 HA GLU 47 3.683 -4.093 -4.861 367 HB2 GLU 47 2HB GLU 47 6.379 -2.723 -5.323 368 HB3 GLU 47 1HB GLU 47 5.421 -2.602 -3.855 369 HG2 GLU 47 2HG GLU 47 5.827 -4.971 -3.369 370 HG3 GLU 47 1HG GLU 47 6.709 -5.133 -4.893 371 H ARG 48 H ARG 48 4.959 -2.380 -7.616 372 HA ARG 48 HA ARG 48 3.748 0.132 -7.219 373 HB2 ARG 48 2HB ARG 48 5.670 -0.431 -8.802 374 HB3 ARG 48 1HB ARG 48 4.454 -1.080 -9.897 375 HG2 ARG 48 2HG ARG 48 3.407 1.114 -10.094 376 HG3 ARG 48 1HG ARG 48 4.540 1.790 -8.917 377 HD2 ARG 48 2HD ARG 48 5.185 2.340 -11.241 378 HD3 ARG 48 1HD ARG 48 6.413 1.363 -10.436 379 HE ARG 48 HE ARG 48 4.431 0.200 -12.314 380 HH11 ARG 48 1HH1 ARG 48 7.800 0.622 -11.328 381 HH12 ARG 48 2HH1 ARG 48 8.408 -0.513 -12.492 382 HH21 ARG 48 1HH2 ARG 48 5.255 -1.333 -13.790 383 HH22 ARG 48 2HH2 ARG 48 6.961 -1.614 -13.888 384 H ASN 49 H ASN 49 2.748 -2.769 -9.021 385 HA ASN 49 HA ASN 49 0.214 -2.024 -9.869 386 HB2 ASN 49 2HB ASN 49 1.339 -4.698 -9.002 387 HB3 ASN 49 1HB ASN 49 -0.347 -4.555 -9.486 388 HD21 ASN 49 1HD2 ASN 49 0.089 -6.012 -11.214 389 HD22 ASN 49 2HD2 ASN 49 0.892 -5.491 -12.653 390 H ALA 50 H ALA 50 1.139 -3.388 -6.697 391 HA ALA 50 HA ALA 50 -1.423 -3.641 -5.583 392 HB1 ALA 50 1HB ALA 50 -0.274 -3.842 -3.427 393 HB2 ALA 50 2HB ALA 50 1.209 -3.200 -4.144 394 HB3 ALA 50 3HB ALA 50 0.567 -4.753 -4.680 395 H LEU 51 H LEU 51 0.895 -0.919 -5.337 396 HA LEU 51 HA LEU 51 -0.837 0.629 -3.610 397 HB2 LEU 51 2HB LEU 51 1.662 1.559 -5.075 398 HB3 LEU 51 1HB LEU 51 0.872 2.396 -3.757 399 HG LEU 51 HG LEU 51 2.478 -0.188 -3.577 400 HD11 LEU 51 1HD1 LEU 51 3.995 1.135 -2.152 401 HD12 LEU 51 2HD1 LEU 51 2.984 2.556 -2.396 402 HD13 LEU 51 3HD1 LEU 51 3.836 1.853 -3.749 403 HD21 LEU 51 1HD2 LEU 51 0.865 1.157 -1.382 404 HD22 LEU 51 2HD2 LEU 51 2.168 0.012 -1.078 405 HD23 LEU 51 3HD2 LEU 51 0.745 -0.514 -1.953 406 H ASN 52 H ASN 52 -0.296 0.504 -7.075 407 HA ASN 52 HA ASN 52 -1.823 2.812 -7.751 408 HB2 ASN 52 2HB ASN 52 -1.099 0.324 -9.308 409 HB3 ASN 52 1HB ASN 52 -2.142 1.557 -9.998 410 HD21 ASN 52 1HD2 ASN 52 -0.701 2.092 -11.625 411 HD22 ASN 52 2HD2 ASN 52 0.775 2.944 -11.337 412 H ILE 53 H ILE 53 -2.680 -0.561 -7.149 413 HA ILE 53 HA ILE 53 -5.470 -0.373 -7.783 414 HB ILE 53 HB ILE 53 -3.964 -2.397 -6.054 415 HG12 ILE 53 2HG1 ILE 53 -5.089 -2.726 -8.883 416 HG13 ILE 53 1HG1 ILE 53 -3.407 -2.402 -8.515 417 HG21 ILE 53 1HG2 ILE 53 -5.989 -3.855 -6.205 418 HG22 ILE 53 2HG2 ILE 53 -6.871 -2.524 -6.961 419 HG23 ILE 53 3HG2 ILE 53 -6.290 -2.366 -5.306 420 HD11 ILE 53 1HD1 ILE 53 -3.757 -4.734 -9.009 421 HD12 ILE 53 2HD1 ILE 53 -4.924 -4.869 -7.696 422 HD13 ILE 53 3HD1 ILE 53 -3.228 -4.525 -7.342 423 H ALA 54 H ALA 54 -3.489 0.169 -4.942 424 HA ALA 54 HA ALA 54 -5.500 0.482 -2.992 425 HB1 ALA 54 1HB ALA 54 -3.830 1.651 -1.650 426 HB2 ALA 54 2HB ALA 54 -2.801 1.880 -3.067 427 HB3 ALA 54 3HB ALA 54 -3.095 0.259 -2.444 428 H GLU 55 H GLU 55 -3.795 3.018 -4.929 429 HA GLU 55 HA GLU 55 -5.224 5.166 -3.689 430 HB2 GLU 55 2HB GLU 55 -2.981 5.598 -4.390 431 HB3 GLU 55 1HB GLU 55 -3.302 5.057 -6.029 432 HG2 GLU 55 2HG GLU 55 -4.799 7.036 -6.354 433 HG3 GLU 55 1HG GLU 55 -4.364 7.594 -4.742 434 H LYS 56 H LYS 56 -5.457 3.659 -6.943 435 HA LYS 56 HA LYS 56 -7.327 5.490 -7.983 436 HB2 LYS 56 2HB LYS 56 -5.963 4.107 -9.454 437 HB3 LYS 56 1HB LYS 56 -6.731 2.650 -8.839 438 HG2 LYS 56 2HG LYS 56 -8.841 3.253 -9.856 439 HG3 LYS 56 1HG LYS 56 -8.229 4.841 -10.300 440 HD2 LYS 56 2HD LYS 56 -8.280 3.509 -12.301 441 HD3 LYS 56 1HD LYS 56 -6.588 3.704 -11.853 442 HE2 LYS 56 2HE LYS 56 -8.235 1.234 -11.213 443 HE3 LYS 56 1HE LYS 56 -7.231 1.399 -12.648 444 HZ1 LYS 56 1HZ LYS 56 -6.289 1.412 -9.834 445 HZ2 LYS 56 2HZ LYS 56 -5.305 1.689 -11.181 446 HZ3 LYS 56 3HZ LYS 56 -6.061 0.200 -10.982 447 H ALA 57 H ALA 57 -7.663 2.556 -6.087 448 HA ALA 57 HA ALA 57 -10.528 2.382 -6.296 449 HB1 ALA 57 1HB ALA 57 -10.320 0.604 -4.608 450 HB2 ALA 57 2HB ALA 57 -8.606 0.986 -4.427 451 HB3 ALA 57 3HB ALA 57 -9.219 0.369 -5.961 452 H LEU 58 H LEU 58 -8.227 3.886 -3.986 453 HA LEU 58 HA LEU 58 -10.051 4.562 -1.922 454 HB2 LEU 58 2HB LEU 58 -7.833 6.395 -2.939 455 HB3 LEU 58 1HB LEU 58 -8.605 6.521 -1.377 456 HG LEU 58 HG LEU 58 -6.572 4.386 -2.252 457 HD11 LEU 58 1HD1 LEU 58 -4.984 5.298 -0.627 458 HD12 LEU 58 2HD1 LEU 58 -6.111 6.569 -0.175 459 HD13 LEU 58 3HD1 LEU 58 -5.422 6.530 -1.804 460 HD21 LEU 58 1HD2 LEU 58 -7.939 3.191 -0.682 461 HD22 LEU 58 2HD2 LEU 58 -7.913 4.529 0.475 462 HD23 LEU 58 3HD2 LEU 58 -6.448 3.625 0.127 463 H ASP 59 H ASP 59 -9.182 6.171 -4.921 464 HA ASP 59 HA ASP 59 -10.864 8.424 -4.718 465 HB2 ASP 59 2HB ASP 59 -8.979 8.256 -6.322 466 HB3 ASP 59 1HB ASP 59 -9.868 7.046 -7.234 467 H ASN 60 H ASN 60 -11.409 5.218 -6.211 468 HA ASN 60 HA ASN 60 -14.090 5.779 -7.065 469 HB2 ASN 60 2HB ASN 60 -12.656 3.099 -6.773 470 HB3 ASN 60 1HB ASN 60 -14.292 3.265 -7.395 471 HD21 ASN 60 1HD2 ASN 60 -12.163 2.143 -8.843 472 HD22 ASN 60 2HD2 ASN 60 -11.844 3.147 -10.199 473 H SER 61 H SER 61 -12.743 5.055 -3.984 474 HA SER 61 HA SER 61 -13.655 5.132 -1.926 475 HB2 SER 61 2HB SER 61 -14.701 7.191 -2.828 476 HB3 SER 61 1HB SER 61 -16.065 6.260 -3.433 477 HG SER 61 HG SER 61 -16.676 5.814 -1.335 478 H GLU 62 H GLU 62 -13.693 2.632 -3.113 479 HA GLU 62 HA GLU 62 -16.257 1.441 -3.214 480 HB2 GLU 62 2HB GLU 62 -13.489 0.192 -3.178 481 HB3 GLU 62 1HB GLU 62 -14.970 -0.750 -3.324 482 HG2 GLU 62 2HG GLU 62 -14.029 1.418 -5.215 483 HG3 GLU 62 1HG GLU 62 -13.967 -0.317 -5.513 484 H TYR 63 H TYR 63 -13.663 0.784 -0.752 485 HA TYR 63 HA TYR 63 -15.330 1.204 1.440 486 HB2 TYR 63 2HB TYR 63 -15.987 -1.237 0.277 487 HB3 TYR 63 1HB TYR 63 -14.752 -1.750 1.411 488 HD1 TYR 63 HD1 TYR 63 -15.243 -1.749 3.859 489 HD2 TYR 63 HD2 TYR 63 -18.073 -0.227 1.049 490 HE1 TYR 63 HE1 TYR 63 -16.990 -1.783 5.581 491 HE2 TYR 63 HE2 TYR 63 -19.813 -0.233 2.775 492 HH TYR 63 HH TYR 63 -20.284 -1.456 4.873 493 H LEU 64 H LEU 64 -14.092 0.949 3.424 494 HA LEU 64 HA LEU 64 -11.276 1.472 2.797 495 HB2 LEU 64 2HB LEU 64 -12.915 2.202 5.187 496 HB3 LEU 64 1HB LEU 64 -11.300 1.712 5.586 497 HG LEU 64 HG LEU 64 -11.462 4.097 5.574 498 HD11 LEU 64 1HD1 LEU 64 -9.391 2.836 4.585 499 HD12 LEU 64 2HD1 LEU 64 -9.489 4.573 4.659 500 HD13 LEU 64 3HD1 LEU 64 -9.792 3.762 3.135 501 HD21 LEU 64 1HD2 LEU 64 -13.328 4.536 4.051 502 HD22 LEU 64 2HD2 LEU 64 -12.302 4.177 2.658 503 HD23 LEU 64 3HD2 LEU 64 -11.936 5.538 3.695 504 HA PRO 65 HA PRO 65 -10.874 -2.610 5.693 505 HB2 PRO 65 2HB PRO 65 -13.645 -3.475 4.804 506 HB3 PRO 65 1HB PRO 65 -12.709 -3.975 6.236 507 HG2 PRO 65 2HG PRO 65 -14.609 -2.182 6.521 508 HG3 PRO 65 1HG PRO 65 -13.047 -1.942 7.341 509 HD2 PRO 65 2HD PRO 65 -14.132 -0.578 4.906 510 HD3 PRO 65 1HD PRO 65 -13.096 0.064 6.201 511 H LYS 66 H LYS 66 -12.402 -2.098 2.515 512 HA LYS 66 HA LYS 66 -11.768 -4.786 1.607 513 HB2 LYS 66 2HB LYS 66 -13.145 -2.423 0.302 514 HB3 LYS 66 1HB LYS 66 -12.584 -3.764 -0.684 515 HG2 LYS 66 2HG LYS 66 -14.565 -4.013 1.606 516 HG3 LYS 66 1HG LYS 66 -14.975 -3.945 -0.104 517 HD2 LYS 66 2HD LYS 66 -13.782 -6.033 -0.513 518 HD3 LYS 66 1HD LYS 66 -13.253 -6.095 1.171 519 HE2 LYS 66 2HE LYS 66 -16.149 -6.195 0.255 520 HE3 LYS 66 1HE LYS 66 -15.176 -7.597 0.700 521 HZ1 LYS 66 1HZ LYS 66 -14.959 -6.713 2.922 522 HZ2 LYS 66 2HZ LYS 66 -16.593 -6.869 2.513 523 HZ3 LYS 66 3HZ LYS 66 -15.862 -5.343 2.502 524 H ILE 67 H ILE 67 -10.559 -1.464 1.094 525 HA ILE 67 HA ILE 67 -8.487 -2.300 -0.753 526 HB ILE 67 HB ILE 67 -8.676 0.307 0.814 527 HG12 ILE 67 2HG1 ILE 67 -9.828 -0.529 -1.876 528 HG13 ILE 67 1HG1 ILE 67 -10.714 -0.009 -0.457 529 HG21 ILE 67 1HG2 ILE 67 -7.238 1.244 -0.972 530 HG22 ILE 67 2HG2 ILE 67 -7.126 -0.343 -1.732 531 HG23 ILE 67 3HG2 ILE 67 -6.421 -0.079 -0.136 532 HD11 ILE 67 1HD1 ILE 67 -10.627 1.662 -2.235 533 HD12 ILE 67 2HD1 ILE 67 -8.885 1.760 -2.041 534 HD13 ILE 67 3HD1 ILE 67 -9.947 2.222 -0.717 535 H ILE 68 H ILE 68 -8.689 -1.831 2.735 536 HA ILE 68 HA ILE 68 -5.903 -1.980 3.363 537 HB ILE 68 HB ILE 68 -8.398 -2.488 5.032 538 HG12 ILE 68 2HG1 ILE 68 -6.332 -0.239 5.228 539 HG13 ILE 68 1HG1 ILE 68 -7.865 -0.099 4.384 540 HG21 ILE 68 1HG2 ILE 68 -5.538 -2.605 6.044 541 HG22 ILE 68 2HG2 ILE 68 -6.671 -3.951 5.963 542 HG23 ILE 68 3HG2 ILE 68 -6.979 -2.609 7.066 543 HD11 ILE 68 1HD1 ILE 68 -9.037 -0.516 6.524 544 HD12 ILE 68 2HD1 ILE 68 -8.054 0.947 6.510 545 HD13 ILE 68 3HD1 ILE 68 -7.472 -0.497 7.334 546 H LEU 69 H LEU 69 -8.523 -4.362 3.173 547 HA LEU 69 HA LEU 69 -7.047 -6.687 3.816 548 HB2 LEU 69 2HB LEU 69 -9.599 -6.319 3.693 549 HB3 LEU 69 1HB LEU 69 -9.466 -6.609 1.967 550 HG LEU 69 HG LEU 69 -8.851 -8.614 4.225 551 HD11 LEU 69 1HD1 LEU 69 -11.098 -8.794 2.189 552 HD12 LEU 69 2HD1 LEU 69 -11.271 -8.379 3.901 553 HD13 LEU 69 3HD1 LEU 69 -10.703 -9.973 3.438 554 HD21 LEU 69 1HD2 LEU 69 -8.429 -10.373 2.617 555 HD22 LEU 69 2HD2 LEU 69 -7.290 -9.060 2.358 556 HD23 LEU 69 3HD2 LEU 69 -8.660 -9.269 1.262 557 H ASN 70 H ASN 70 -7.876 -5.131 0.686 558 HA ASN 70 HA ASN 70 -6.786 -7.169 -0.956 559 HB2 ASN 70 2HB ASN 70 -8.508 -5.583 -1.762 560 HB3 ASN 70 1HB ASN 70 -7.356 -4.251 -1.674 561 HD21 ASN 70 1HD2 ASN 70 -5.727 -4.132 -3.250 562 HD22 ASN 70 2HD2 ASN 70 -5.764 -5.067 -4.702 563 H LEU 71 H LEU 71 -5.382 -4.232 0.412 564 HA LEU 71 HA LEU 71 -2.964 -4.303 -1.089 565 HB2 LEU 71 2HB LEU 71 -3.857 -2.247 0.003 566 HB3 LEU 71 1HB LEU 71 -3.622 -2.958 1.574 567 HG LEU 71 HG LEU 71 -1.993 -1.117 0.899 568 HD11 LEU 71 1HD1 LEU 71 -1.503 -2.558 2.788 569 HD12 LEU 71 2HD1 LEU 71 -0.031 -2.105 1.938 570 HD13 LEU 71 3HD1 LEU 71 -0.706 -3.725 1.732 571 HD21 LEU 71 1HD2 LEU 71 -1.607 -1.887 -1.453 572 HD22 LEU 71 2HD2 LEU 71 -0.603 -3.196 -0.813 573 HD23 LEU 71 3HD2 LEU 71 -0.149 -1.520 -0.546 574 H ARG 72 H ARG 72 -4.005 -5.438 2.111 575 HA ARG 72 HA ARG 72 -1.508 -6.667 2.804 576 HB2 ARG 72 2HB ARG 72 -3.193 -5.995 4.546 577 HB3 ARG 72 1HB ARG 72 -4.259 -7.288 4.014 578 HG2 ARG 72 2HG ARG 72 -2.624 -8.969 4.671 579 HG3 ARG 72 1HG ARG 72 -1.449 -7.714 5.066 580 HD2 ARG 72 2HD ARG 72 -2.281 -8.329 7.143 581 HD3 ARG 72 1HD ARG 72 -3.231 -6.893 6.768 582 HE ARG 72 HE ARG 72 -4.882 -8.794 5.918 583 HH11 ARG 72 1HH1 ARG 72 -3.037 -8.624 8.930 584 HH12 ARG 72 2HH1 ARG 72 -4.194 -9.553 9.829 585 HH21 ARG 72 1HH2 ARG 72 -6.378 -10.018 7.139 586 HH22 ARG 72 2HH2 ARG 72 -6.083 -10.344 8.813 587 H LYS 73 H LYS 73 -4.156 -7.623 0.781 588 HA LYS 73 HA LYS 73 -3.659 -10.495 0.915 589 HB2 LYS 73 2HB LYS 73 -5.960 -9.802 0.557 590 HB3 LYS 73 1HB LYS 73 -5.516 -8.749 -0.778 591 HG2 LYS 73 2HG LYS 73 -4.966 -10.694 -2.160 592 HG3 LYS 73 1HG LYS 73 -5.353 -11.778 -0.822 593 HD2 LYS 73 2HD LYS 73 -7.699 -11.181 -0.919 594 HD3 LYS 73 1HD LYS 73 -7.372 -9.858 -2.047 595 HE2 LYS 73 2HE LYS 73 -8.341 -11.866 -3.158 596 HE3 LYS 73 1HE LYS 73 -6.757 -11.424 -3.793 597 HZ1 LYS 73 1HZ LYS 73 -5.766 -13.183 -2.475 598 HZ2 LYS 73 2HZ LYS 73 -6.975 -13.815 -3.476 599 HZ3 LYS 73 3HZ LYS 73 -7.277 -13.598 -1.825 600 H ALA 74 H ALA 74 -2.748 -7.720 -0.999 601 HA ALA 74 HA ALA 74 -1.468 -9.230 -3.106 602 HB1 ALA 74 1HB ALA 74 -1.406 -6.268 -2.450 603 HB2 ALA 74 2HB ALA 74 -2.446 -7.070 -3.615 604 HB3 ALA 74 3HB ALA 74 -0.708 -7.005 -3.891 605 H LEU 75 H LEU 75 -0.430 -7.678 -0.043 606 HA LEU 75 HA LEU 75 2.384 -8.130 -0.771 607 HB2 LEU 75 2HB LEU 75 1.366 -6.618 1.662 608 HB3 LEU 75 1HB LEU 75 3.017 -6.684 1.096 609 HG LEU 75 HG LEU 75 0.706 -5.105 -0.068 610 HD11 LEU 75 1HD1 LEU 75 2.232 -3.180 0.225 611 HD12 LEU 75 2HD1 LEU 75 3.418 -4.262 0.960 612 HD13 LEU 75 3HD1 LEU 75 1.853 -4.011 1.729 613 HD21 LEU 75 1HD2 LEU 75 3.346 -5.624 -1.484 614 HD22 LEU 75 2HD2 LEU 75 2.243 -4.313 -1.894 615 HD23 LEU 75 3HD2 LEU 75 1.715 -5.975 -2.079 616 H THR 76 H THR 76 0.032 -9.530 1.456 617 HA THR 76 HA THR 76 1.855 -10.729 3.241 618 HB THR 76 HB THR 76 -0.954 -11.680 2.521 619 HG1 THR 76 HG1 THR 76 -0.022 -9.727 4.046 620 HG21 THR 76 1HG2 THR 76 0.293 -13.630 3.372 621 HG22 THR 76 2HG2 THR 76 -0.874 -13.068 4.567 622 HG23 THR 76 3HG2 THR 76 0.838 -12.687 4.760 623 HA PRO 77 HA PRO 77 1.962 -14.709 0.343 624 HB2 PRO 77 2HB PRO 77 1.652 -13.516 -2.390 625 HB3 PRO 77 1HB PRO 77 1.006 -15.031 -1.736 626 HG2 PRO 77 2HG PRO 77 -0.590 -12.953 -2.163 627 HG3 PRO 77 1HG PRO 77 -0.811 -14.001 -0.741 628 HD2 PRO 77 2HD PRO 77 0.470 -11.276 -0.900 629 HD3 PRO 77 1HD PRO 77 -0.647 -11.940 0.304 630 H LEU 78 H LEU 78 3.013 -11.590 -0.997 631 HA LEU 78 HA LEU 78 5.568 -12.513 -1.896 632 HB2 LEU 78 2HB LEU 78 4.850 -9.604 -1.344 633 HB3 LEU 78 1HB LEU 78 6.150 -10.186 -2.360 634 HG LEU 78 HG LEU 78 3.166 -10.425 -3.000 635 HD11 LEU 78 1HD1 LEU 78 3.510 -8.794 -4.763 636 HD12 LEU 78 2HD1 LEU 78 5.213 -8.638 -4.343 637 HD13 LEU 78 3HD1 LEU 78 3.971 -8.100 -3.216 638 HD21 LEU 78 1HD2 LEU 78 5.525 -11.266 -4.729 639 HD22 LEU 78 2HD2 LEU 78 3.850 -11.166 -5.265 640 HD23 LEU 78 3HD2 LEU 78 4.295 -12.319 -4.025 641 H ALA 79 H ALA 79 4.373 -11.285 1.126 642 HA ALA 79 HA ALA 79 6.924 -10.758 2.333 643 HB1 ALA 79 1HB ALA 79 4.867 -9.716 3.184 644 HB2 ALA 79 2HB ALA 79 5.682 -10.636 4.450 645 HB3 ALA 79 3HB ALA 79 4.249 -11.299 3.657 646 H ILE 80 H ILE 80 4.646 -13.498 2.442 647 HA ILE 80 HA ILE 80 6.119 -15.177 4.193 648 HB ILE 80 HB ILE 80 4.062 -15.960 2.069 649 HG12 ILE 80 2HG1 ILE 80 3.633 -15.461 5.061 650 HG13 ILE 80 1HG1 ILE 80 3.142 -14.381 3.766 651 HG21 ILE 80 1HG2 ILE 80 3.746 -18.061 3.371 652 HG22 ILE 80 2HG2 ILE 80 5.101 -17.608 4.409 653 HG23 ILE 80 3HG2 ILE 80 5.370 -17.921 2.695 654 HD11 ILE 80 1HD1 ILE 80 2.064 -17.157 4.250 655 HD12 ILE 80 2HD1 ILE 80 1.588 -16.080 2.934 656 HD13 ILE 80 3HD1 ILE 80 1.259 -15.628 4.605 657 H ASN 81 H ASN 81 5.947 -14.982 0.625 658 HA ASN 81 HA ASN 81 7.988 -16.950 0.147 659 HB2 ASN 81 2HB ASN 81 6.789 -14.849 -1.700 660 HB3 ASN 81 1HB ASN 81 7.953 -16.062 -2.224 661 HD21 ASN 81 1HD2 ASN 81 5.395 -15.757 -3.333 662 HD22 ASN 81 2HD2 ASN 81 4.486 -17.183 -2.994 663 H ARG 82 H ARG 82 8.084 -13.662 1.133 664 HA ARG 82 HA ARG 82 9.783 -12.317 1.750 665 HB2 ARG 82 2HB ARG 82 11.432 -14.858 1.514 666 HB3 ARG 82 1HB ARG 82 12.062 -13.354 2.169 667 HG2 ARG 82 2HG ARG 82 10.328 -13.452 3.975 668 HG3 ARG 82 1HG ARG 82 9.803 -15.017 3.342 669 HD2 ARG 82 2HD ARG 82 11.293 -15.304 5.258 670 HD3 ARG 82 1HD ARG 82 12.038 -15.954 3.794 671 HE ARG 82 HE ARG 82 12.724 -13.339 5.011 672 HH11 ARG 82 1HH1 ARG 82 13.714 -16.190 3.170 673 HH12 ARG 82 2HH1 ARG 82 15.368 -15.675 3.069 674 HH21 ARG 82 1HH2 ARG 82 14.911 -12.697 4.856 675 HH22 ARG 82 2HH2 ARG 82 16.041 -13.713 4.016 676 H THR 83 H THR 83 9.127 -11.651 -0.642 677 HA THR 83 HA THR 83 11.678 -10.800 -1.817 678 HB THR 83 HB THR 83 10.886 -12.689 -3.219 679 HG1 THR 83 HG1 THR 83 10.610 -10.249 -4.666 680 HG21 THR 83 1HG2 THR 83 8.465 -10.958 -3.786 681 HG22 THR 83 2HG2 THR 83 8.489 -12.508 -2.946 682 HG23 THR 83 3HG2 THR 83 8.896 -12.437 -4.655 683 H LEU 84 H LEU 84 9.155 -9.755 -0.213 684 HA LEU 84 HA LEU 84 8.343 -7.425 -1.693 685 HB2 LEU 84 2HB LEU 84 7.023 -8.408 0.222 686 HB3 LEU 84 1HB LEU 84 8.317 -7.966 1.315 687 HG LEU 84 HG LEU 84 7.795 -5.498 0.540 688 HD11 LEU 84 1HD1 LEU 84 5.378 -5.133 0.042 689 HD12 LEU 84 2HD1 LEU 84 5.217 -6.862 -0.250 690 HD13 LEU 84 3HD1 LEU 84 6.271 -5.888 -1.270 691 HD21 LEU 84 1HD2 LEU 84 5.917 -6.999 2.395 692 HD22 LEU 84 2HD2 LEU 84 6.142 -5.248 2.350 693 HD23 LEU 84 3HD2 LEU 84 7.477 -6.291 2.827 694 H ASN 85 H ASN 85 9.203 -5.281 -1.486 695 HA ASN 85 HA ASN 85 12.071 -5.213 -1.238 696 HB2 ASN 85 2HB ASN 85 10.820 -3.709 -2.867 697 HB3 ASN 85 1HB ASN 85 10.264 -2.733 -1.512 698 HD21 ASN 85 1HD2 ASN 85 12.789 -3.267 -3.766 699 HD22 ASN 85 2HD2 ASN 85 13.906 -2.114 -3.131 700 H HIS 86 H HIS 86 9.440 -4.195 0.838 701 HA HIS 86 HA HIS 86 9.283 -4.028 3.078 702 HB2 HIS 86 2HB HIS 86 10.819 -5.976 3.104 703 HB3 HIS 86 1HB HIS 86 12.206 -4.902 3.080 704 HD1 HIS 86 HD1 HIS 86 13.039 -4.056 5.284 705 HD2 HIS 86 HD2 HIS 86 9.392 -6.019 5.611 706 HE1 HIS 86 HE1 HIS 86 12.656 -4.358 7.739 707 HE2 HIS 86 HE2 HIS 86 10.355 -5.329 7.916 708 H ASP 87 H ASP 87 10.975 -1.915 1.239 709 HA ASP 87 HA ASP 87 11.964 -0.103 3.265 710 HB2 ASP 87 2HB ASP 87 13.087 -0.243 1.063 711 HB3 ASP 87 1HB ASP 87 11.639 0.318 0.246 712 H LEU 88 H LEU 88 8.819 -0.825 2.283 713 HA LEU 88 HA LEU 88 7.910 1.633 3.637 714 HB2 LEU 88 2HB LEU 88 5.698 1.437 2.463 715 HB3 LEU 88 1HB LEU 88 7.023 1.965 1.460 716 HG LEU 88 HG LEU 88 6.331 -0.965 1.353 717 HD11 LEU 88 1HD1 LEU 88 4.648 1.171 -0.006 718 HD12 LEU 88 2HD1 LEU 88 4.115 0.080 1.276 719 HD13 LEU 88 3HD1 LEU 88 4.548 -0.568 -0.303 720 HD21 LEU 88 1HD2 LEU 88 7.081 1.027 -0.820 721 HD22 LEU 88 2HD2 LEU 88 6.937 -0.725 -0.997 722 HD23 LEU 88 3HD2 LEU 88 8.207 -0.044 0.008 723 H SER 89 H SER 89 8.827 -0.648 4.851 724 HA SER 89 HA SER 89 6.966 -2.546 5.707 725 HB2 SER 89 2HB SER 89 8.474 -2.781 7.717 726 HB3 SER 89 1HB SER 89 9.322 -2.818 6.170 727 HG SER 89 HG SER 89 9.111 -0.600 7.939 728 H GLU 90 H GLU 90 7.404 0.787 6.684 729 HA GLU 90 HA GLU 90 5.963 0.717 9.145 730 HB2 GLU 90 2HB GLU 90 6.641 3.033 7.276 731 HB3 GLU 90 1HB GLU 90 5.792 3.267 8.794 732 HG2 GLU 90 2HG GLU 90 7.776 2.465 10.043 733 HG3 GLU 90 1HG GLU 90 8.625 2.182 8.524 734 H LEU 91 H LEU 91 4.967 1.037 5.768 735 HA LEU 91 HA LEU 91 2.284 1.949 6.299 736 HB2 LEU 91 2HB LEU 91 3.322 2.318 4.102 737 HB3 LEU 91 1HB LEU 91 3.504 0.590 3.850 738 HG LEU 91 HG LEU 91 1.000 0.367 3.818 739 HD11 LEU 91 1HD1 LEU 91 -0.404 2.358 3.553 740 HD12 LEU 91 2HD1 LEU 91 0.983 3.391 3.906 741 HD13 LEU 91 3HD1 LEU 91 0.364 2.289 5.137 742 HD21 LEU 91 1HD2 LEU 91 2.155 2.250 1.741 743 HD22 LEU 91 2HD2 LEU 91 0.665 1.315 1.567 744 HD23 LEU 91 3HD2 LEU 91 2.211 0.488 1.714 745 H TYR 92 H TYR 92 3.776 -1.201 5.648 746 HA TYR 92 HA TYR 92 1.378 -2.716 5.714 747 HB2 TYR 92 2HB TYR 92 3.452 -3.425 4.525 748 HB3 TYR 92 1HB TYR 92 4.232 -3.677 6.081 749 HD1 TYR 92 HD1 TYR 92 0.821 -4.685 4.760 750 HD2 TYR 92 HD2 TYR 92 4.569 -5.988 6.359 751 HE1 TYR 92 HE1 TYR 92 0.033 -7.004 4.727 752 HE2 TYR 92 HE2 TYR 92 3.766 -8.308 6.329 753 HH TYR 92 HH TYR 92 1.596 -9.505 6.365 754 H LYS 93 H LYS 93 3.661 -1.613 8.099 755 HA LYS 93 HA LYS 93 2.655 -3.170 10.325 756 HB2 LYS 93 2HB LYS 93 5.024 -2.416 10.199 757 HB3 LYS 93 1HB LYS 93 4.509 -0.736 10.281 758 HG2 LYS 93 2HG LYS 93 3.730 -1.031 12.565 759 HG3 LYS 93 1HG LYS 93 4.022 -2.771 12.484 760 HD2 LYS 93 2HD LYS 93 6.461 -2.335 12.206 761 HD3 LYS 93 1HD LYS 93 6.155 -0.601 12.334 762 HE2 LYS 93 2HE LYS 93 5.480 -2.593 14.520 763 HE3 LYS 93 1HE LYS 93 6.995 -1.702 14.441 764 HZ1 LYS 93 1HZ LYS 93 4.289 -0.506 14.695 765 HZ2 LYS 93 2HZ LYS 93 5.733 0.367 14.580 766 HZ3 LYS 93 3HZ LYS 93 5.447 -0.628 15.920 767 H PHE 94 H PHE 94 2.049 -0.035 8.882 768 HA PHE 94 HA PHE 94 0.712 1.250 11.022 769 HB2 PHE 94 2HB PHE 94 1.607 2.542 9.165 770 HB3 PHE 94 1HB PHE 94 0.589 1.702 8.011 771 HD1 PHE 94 HD1 PHE 94 0.390 3.968 11.002 772 HD2 PHE 94 HD2 PHE 94 -1.448 2.707 7.352 773 HE1 PHE 94 HE1 PHE 94 -1.275 5.757 11.216 774 HE2 PHE 94 HE2 PHE 94 -3.117 4.495 7.582 775 HZ PHE 94 HZ PHE 94 -3.031 6.028 9.511 776 H ILE 95 H ILE 95 -0.537 -0.553 8.198 777 HA ILE 95 HA ILE 95 -3.293 -0.195 8.916 778 HB ILE 95 HB ILE 95 -3.910 -1.482 7.021 779 HG12 ILE 95 2HG1 ILE 95 -1.193 -2.815 7.202 780 HG13 ILE 95 1HG1 ILE 95 -2.782 -3.540 7.223 781 HG21 ILE 95 1HG2 ILE 95 -2.925 0.672 6.456 782 HG22 ILE 95 2HG2 ILE 95 -2.633 -0.496 5.170 783 HG23 ILE 95 3HG2 ILE 95 -1.331 -0.061 6.280 784 HD11 ILE 95 1HD1 ILE 95 -1.456 -2.328 4.810 785 HD12 ILE 95 2HD1 ILE 95 -3.057 -3.073 4.857 786 HD13 ILE 95 3HD1 ILE 95 -1.621 -4.045 5.180 787 H THR 96 H THR 96 -1.065 -2.079 10.470 788 HA THR 96 HA THR 96 -3.064 -4.074 11.389 789 HB THR 96 HB THR 96 -0.905 -5.316 12.214 790 HG1 THR 96 HG1 THR 96 0.317 -3.931 10.063 791 HG21 THR 96 1HG2 THR 96 -0.632 -6.497 10.133 792 HG22 THR 96 2HG2 THR 96 -1.366 -5.177 9.238 793 HG23 THR 96 3HG2 THR 96 -2.342 -6.123 10.359 794 H SER 97 H SER 97 -1.655 -1.209 12.306 795 HA SER 97 HA SER 97 -1.146 -1.994 15.123 796 HB2 SER 97 2HB SER 97 0.757 -1.016 13.791 797 HB3 SER 97 1HB SER 97 -0.135 0.494 13.682 798 HG SER 97 HG SER 97 -0.184 0.336 16.099 799 H SER 98 H SER 98 -2.502 -1.326 16.624 800 HA SER 98 HA SER 98 -4.087 -0.313 17.824 801 HB2 SER 98 2HB SER 98 -2.337 1.446 17.920 802 HB3 SER 98 1HB SER 98 -3.065 2.236 16.519 803 HG SER 98 HG SER 98 -4.237 1.837 19.077 804 H LYS 99 H LYS 99 -4.397 1.893 15.026 805 HA LYS 99 HA LYS 99 -7.181 2.154 15.315 806 HB2 LYS 99 2HB LYS 99 -5.450 2.815 12.901 807 HB3 LYS 99 1HB LYS 99 -7.091 3.395 13.161 808 HG2 LYS 99 2HG LYS 99 -6.385 4.641 15.134 809 HG3 LYS 99 1HG LYS 99 -4.747 3.996 14.993 810 HD2 LYS 99 2HD LYS 99 -4.465 5.174 12.837 811 HD3 LYS 99 1HD LYS 99 -6.114 5.798 12.957 812 HE2 LYS 99 2HE LYS 99 -5.498 7.004 15.034 813 HE3 LYS 99 1HE LYS 99 -3.844 6.397 14.881 814 HZ1 LYS 99 1HZ LYS 99 -5.233 8.155 12.926 815 HZ2 LYS 99 2HZ LYS 99 -3.655 7.568 12.763 816 HZ3 LYS 99 3HZ LYS 99 -4.036 8.639 14.016 817 H ALA 100 H ALA 100 -5.553 0.836 12.432 818 HA ALA 100 HA ALA 100 -7.816 -0.931 11.860 819 HB1 ALA 100 1HB ALA 100 -5.241 -0.523 10.297 820 HB2 ALA 100 2HB ALA 100 -6.730 0.369 10.042 821 HB3 ALA 100 3HB ALA 100 -6.695 -1.367 9.750 822 H SER 101 H SER 101 -7.835 -2.836 12.824 823 HA SER 101 HA SER 101 -5.992 -4.884 12.587 824 HB2 SER 101 2HB SER 101 -5.244 -5.142 15.016 825 HB3 SER 101 1HB SER 101 -4.487 -3.785 14.183 826 HG SER 101 HG SER 101 -5.236 -2.625 15.760 827 H ASN 102 H ASN 102 -7.916 -3.691 15.290 828 HA ASN 102 HA ASN 102 -10.325 -5.007 14.893 829 HB2 ASN 102 2HB ASN 102 -8.977 -7.114 15.308 830 HB3 ASN 102 1HB ASN 102 -8.577 -6.510 16.908 831 HD21 ASN 102 1HD2 ASN 102 -11.207 -7.668 14.871 832 HD22 ASN 102 2HD2 ASN 102 -12.274 -8.073 16.164 833 H LYS 103 H LYS 103 -7.968 -3.398 16.816 834 HA LYS 103 HA LYS 103 -9.410 -2.913 19.187 835 HB2 LYS 103 2HB LYS 103 -7.092 -1.383 17.951 836 HB3 LYS 103 1HB LYS 103 -7.695 -1.106 19.573 837 HG2 LYS 103 2HG LYS 103 -6.491 -3.705 18.578 838 HG3 LYS 103 1HG LYS 103 -5.641 -2.491 19.529 839 HD2 LYS 103 2HD LYS 103 -8.061 -4.086 20.442 840 HD3 LYS 103 1HD LYS 103 -6.390 -4.374 20.927 841 HE2 LYS 103 2HE LYS 103 -6.308 -2.160 22.007 842 HE3 LYS 103 1HE LYS 103 -7.970 -1.845 21.505 843 HZ1 LYS 103 1HZ LYS 103 -7.883 -2.577 23.800 844 HZ2 LYS 103 2HZ LYS 103 -7.088 -4.000 23.351 845 HZ3 LYS 103 3HZ LYS 103 -8.683 -3.737 22.863 846 H ASN 104 H ASN 104 -8.526 -0.220 16.911 847 HA ASN 104 HA ASN 104 -10.841 1.234 17.946 848 HB2 ASN 104 2HB ASN 104 -8.603 2.186 16.112 849 HB3 ASN 104 1HB ASN 104 -9.897 3.206 16.727 850 HD21 ASN 104 1HD2 ASN 104 -6.954 1.520 17.553 851 HD22 ASN 104 2HD2 ASN 104 -6.727 2.246 19.099 852 H LEU 105 H LEU 105 -9.752 1.569 14.516 853 HA LEU 105 HA LEU 105 -12.449 1.398 13.625 854 HB2 LEU 105 2HB LEU 105 -10.817 2.798 12.348 855 HB3 LEU 105 1HB LEU 105 -9.869 1.376 11.989 856 HG LEU 105 HG LEU 105 -12.086 0.594 10.698 857 HD11 LEU 105 1HD1 LEU 105 -13.698 2.283 11.036 858 HD12 LEU 105 2HD1 LEU 105 -13.050 2.665 9.458 859 HD13 LEU 105 3HD1 LEU 105 -12.515 3.584 10.862 860 HD21 LEU 105 1HD2 LEU 105 -11.234 1.679 8.599 861 HD22 LEU 105 2HD2 LEU 105 -10.049 0.796 9.532 862 HD23 LEU 105 3HD2 LEU 105 -10.070 2.558 9.597 863 H GLY 106 H GLY 106 -9.615 -0.674 13.200 864 HA2 GLY 106 2HA GLY 106 -9.491 -2.969 13.442 865 HA3 GLY 106 1HA GLY 106 -11.243 -3.074 13.496 866 H GLY 107 H GLY 107 -12.367 -2.647 11.434 867 HA2 GLY 107 2HA GLY 107 -12.178 -2.534 8.971 868 HA3 GLY 107 1HA GLY 107 -10.890 -3.726 9.089 869 H GLY 108 H GLY 108 -12.585 -4.986 11.361 870 HA2 GLY 108 2HA GLY 108 -14.268 -6.539 11.608 871 HA3 GLY 108 1HA GLY 108 -14.961 -5.981 10.096 872 H LEU 109 H LEU 109 -14.672 -7.157 8.292 873 HA LEU 109 HA LEU 109 -13.449 -9.792 8.511 874 HB2 LEU 109 2HB LEU 109 -15.009 -8.503 6.234 875 HB3 LEU 109 1HB LEU 109 -14.380 -10.138 6.199 876 HG LEU 109 HG LEU 109 -16.715 -10.315 6.655 877 HD11 LEU 109 1HD1 LEU 109 -16.825 -11.450 8.810 878 HD12 LEU 109 2HD1 LEU 109 -15.287 -10.733 9.294 879 HD13 LEU 109 3HD1 LEU 109 -15.348 -11.865 7.942 880 HD21 LEU 109 1HD2 LEU 109 -17.897 -9.182 8.479 881 HD22 LEU 109 2HD2 LEU 109 -17.191 -8.022 7.360 882 HD23 LEU 109 3HD2 LEU 109 -16.423 -8.313 8.923 883 H ILE 110 H ILE 110 -11.235 -9.212 8.653 884 HA ILE 110 HA ILE 110 -9.968 -8.316 6.118 885 HB ILE 110 HB ILE 110 -8.955 -7.786 8.973 886 HG12 ILE 110 2HG1 ILE 110 -10.849 -6.315 8.311 887 HG13 ILE 110 1HG1 ILE 110 -9.361 -5.414 8.574 888 HG21 ILE 110 1HG2 ILE 110 -7.053 -8.159 7.420 889 HG22 ILE 110 2HG2 ILE 110 -7.100 -6.502 8.008 890 HG23 ILE 110 3HG2 ILE 110 -7.639 -6.863 6.368 891 HD11 ILE 110 1HD1 ILE 110 -9.031 -5.279 6.152 892 HD12 ILE 110 2HD1 ILE 110 -10.569 -4.582 6.658 893 HD13 ILE 110 3HD1 ILE 110 -10.532 -6.175 5.905 894 H MET 111 H MET 111 -9.505 -10.383 5.328 895 HA MET 111 HA MET 111 -7.890 -12.201 6.989 896 HB2 MET 111 2HB MET 111 -8.167 -13.869 5.230 897 HB3 MET 111 1HB MET 111 -9.735 -13.210 5.658 898 HG2 MET 111 2HG MET 111 -9.743 -11.847 3.633 899 HG3 MET 111 1HG MET 111 -8.130 -12.434 3.214 900 HE1 MET 111 1HE MET 111 -10.796 -12.511 1.340 901 HE2 MET 111 2HE MET 111 -10.552 -14.076 0.567 902 HE3 MET 111 3HE MET 111 -9.186 -12.984 0.799 903 H SER 112 H SER 112 -6.055 -13.286 5.759 904 HA SER 112 HA SER 112 -4.533 -11.406 4.065 905 HB2 SER 112 2HB SER 112 -2.468 -12.162 5.351 906 HB3 SER 112 1HB SER 112 -3.582 -11.162 6.283 907 HG SER 112 HG SER 112 -3.543 -14.008 6.369 908 H TRP 113 H TRP 113 -4.857 -12.544 2.189 909 HA TRP 113 HA TRP 113 -4.836 -15.400 2.076 910 HB2 TRP 113 2HB TRP 113 -6.069 -13.879 0.455 911 HB3 TRP 113 1HB TRP 113 -4.516 -13.484 -0.273 912 HD1 TRP 113 HD1 TRP 113 -3.318 -15.437 -1.738 913 HE1 TRP 113 HE1 TRP 113 -4.235 -17.566 -2.820 914 HE3 TRP 113 HE3 TRP 113 -7.791 -15.774 0.736 915 HZ2 TRP 113 HZ2 TRP 113 -6.533 -19.174 -2.691 916 HZ3 TRP 113 HZ3 TRP 113 -9.296 -17.644 0.185 917 HH2 TRP 113 HH2 TRP 113 -8.680 -19.310 -1.495 918 H GLY 114 H GLY 114 -3.116 -16.704 1.980 919 HA2 GLY 114 2HA GLY 114 -0.443 -15.672 1.249 920 HA3 GLY 114 1HA GLY 114 -0.776 -17.167 2.122 921 H ARG 115 H ARG 115 0.829 -16.861 -0.254 922 HA ARG 115 HA ARG 115 -0.339 -18.835 -2.006 923 HB2 ARG 115 2HB ARG 115 -1.489 -16.930 -2.959 924 HB3 ARG 115 1HB ARG 115 -0.041 -15.936 -2.907 925 HG2 ARG 115 2HG ARG 115 0.954 -17.514 -4.655 926 HG3 ARG 115 1HG ARG 115 -0.657 -18.217 -4.805 927 HD2 ARG 115 2HD ARG 115 -1.582 -16.075 -5.509 928 HD3 ARG 115 1HD ARG 115 -0.035 -15.269 -5.218 929 HE ARG 115 HE ARG 115 0.241 -17.387 -7.077 930 HH11 ARG 115 1HH1 ARG 115 -0.904 -14.051 -6.843 931 HH12 ARG 115 2HH1 ARG 115 -0.646 -13.736 -8.530 932 HH21 ARG 115 1HH2 ARG 115 0.556 -16.974 -9.257 933 HH22 ARG 115 2HH2 ARG 115 0.191 -15.409 -9.905 934 H LEU 116 H LEU 116 1.444 -20.115 -1.931 935 HA LEU 116 HA LEU 116 4.153 -19.139 -2.182 936 HB2 LEU 116 2HB LEU 116 3.428 -21.232 -0.930 937 HB3 LEU 116 1HB LEU 116 3.127 -22.009 -2.470 938 HG LEU 116 HG LEU 116 5.892 -20.966 -1.719 939 HD11 LEU 116 1HD1 LEU 116 6.477 -23.237 -0.952 940 HD12 LEU 116 2HD1 LEU 116 4.792 -23.736 -1.127 941 HD13 LEU 116 3HD1 LEU 116 5.231 -22.502 0.056 942 HD21 LEU 116 1HD2 LEU 116 5.022 -23.096 -3.706 943 HD22 LEU 116 2HD2 LEU 116 6.691 -22.651 -3.336 944 HD23 LEU 116 3HD2 LEU 116 5.619 -21.479 -4.092 945 H PHE 117 H PHE 117 2.243 -21.349 -4.239 946 HA PHE 117 HA PHE 117 3.345 -20.117 -6.690 947 HB2 PHE 117 2HB PHE 117 3.697 -22.569 -6.552 948 HB3 PHE 117 1HB PHE 117 1.973 -22.819 -6.300 949 HD1 PHE 117 HD1 PHE 117 4.488 -21.612 -8.776 950 HD2 PHE 117 HD2 PHE 117 0.491 -23.009 -8.191 951 HE1 PHE 117 HE1 PHE 117 4.166 -21.724 -11.210 952 HE2 PHE 117 HE2 PHE 117 0.176 -23.126 -10.629 953 HZ PHE 117 HZ PHE 117 2.012 -22.480 -12.140 Start of MODEL 16 1 H1 MET 1 1H MET 1 25.891 6.302 0.887 2 H2 MET 1 2H MET 1 24.700 5.574 1.842 3 H3 MET 1 3H MET 1 25.054 7.215 2.038 4 HA MET 1 HA MET 1 23.928 5.988 -0.398 5 HB2 MET 1 2HB MET 1 21.823 7.260 0.257 6 HB3 MET 1 1HB MET 1 22.215 5.892 1.284 7 HG2 MET 1 2HG MET 1 23.127 7.451 2.985 8 HG3 MET 1 1HG MET 1 22.681 8.809 1.953 9 HE1 MET 1 1HE MET 1 19.604 5.974 3.920 10 HE2 MET 1 2HE MET 1 21.340 5.851 4.203 11 HE3 MET 1 3HE MET 1 20.673 5.456 2.617 12 H SER 2 H SER 2 25.002 7.052 -1.967 13 HA SER 2 HA SER 2 24.399 9.765 -2.539 14 HB2 SER 2 2HB SER 2 26.237 10.115 -0.823 15 HB3 SER 2 1HB SER 2 27.348 9.245 -1.879 16 HG SER 2 HG SER 2 26.233 11.792 -2.142 17 H GLY 3 H GLY 3 24.499 10.052 -4.728 18 HA2 GLY 3 2HA GLY 3 25.151 9.816 -6.935 19 HA3 GLY 3 1HA GLY 3 26.451 8.754 -6.421 20 H SER 4 H SER 4 23.165 8.073 -5.491 21 HA SER 4 HA SER 4 23.272 5.465 -6.738 22 HB2 SER 4 2HB SER 4 21.089 6.747 -5.033 23 HB3 SER 4 1HB SER 4 21.231 5.029 -5.426 24 HG SER 4 HG SER 4 23.412 5.261 -4.415 25 H HIS 5 H HIS 5 21.085 4.641 -7.706 26 HA HIS 5 HA HIS 5 20.590 6.129 -10.115 27 HB2 HIS 5 2HB HIS 5 19.240 4.190 -10.812 28 HB3 HIS 5 1HB HIS 5 20.787 3.670 -10.164 29 HD1 HIS 5 HD1 HIS 5 17.542 2.505 -10.254 30 HD2 HIS 5 HD2 HIS 5 20.196 3.063 -7.098 31 HE1 HIS 5 HE1 HIS 5 16.757 0.973 -8.422 32 HE2 HIS 5 HE2 HIS 5 18.318 1.396 -6.511 33 H HIS 6 H HIS 6 19.467 8.003 -9.796 34 HA HIS 6 HA HIS 6 16.728 7.852 -8.667 35 HB2 HIS 6 2HB HIS 6 17.036 10.205 -7.821 36 HB3 HIS 6 1HB HIS 6 18.058 9.026 -7.019 37 HD1 HIS 6 HD1 HIS 6 20.612 9.212 -7.408 38 HD2 HIS 6 HD2 HIS 6 18.410 12.204 -9.262 39 HE1 HIS 6 HE1 HIS 6 22.285 10.932 -8.124 40 HE2 HIS 6 HE2 HIS 6 20.949 12.662 -9.351 41 H HIS 7 H HIS 7 15.559 7.790 -10.515 42 HA HIS 7 HA HIS 7 15.605 10.171 -12.297 43 HB2 HIS 7 2HB HIS 7 15.238 7.280 -13.253 44 HB3 HIS 7 1HB HIS 7 15.122 8.715 -14.263 45 HD1 HIS 7 HD1 HIS 7 17.386 9.949 -14.808 46 HD2 HIS 7 HD2 HIS 7 17.813 6.322 -12.824 47 HE1 HIS 7 HE1 HIS 7 19.806 9.338 -15.035 48 HE2 HIS 7 HE2 HIS 7 20.073 7.280 -13.627 49 H HIS 8 H HIS 8 14.056 9.716 -9.996 50 HA HIS 8 HA HIS 8 11.604 8.277 -10.690 51 HB2 HIS 8 2HB HIS 8 12.367 9.454 -7.985 52 HB3 HIS 8 1HB HIS 8 11.176 8.201 -8.318 53 HD1 HIS 8 HD1 HIS 8 14.286 8.486 -6.828 54 HD2 HIS 8 HD2 HIS 8 12.766 5.861 -9.665 55 HE1 HIS 8 HE1 HIS 8 15.728 6.441 -6.698 56 HE2 HIS 8 HE2 HIS 8 14.861 4.932 -8.495 57 H HIS 9 H HIS 9 9.562 9.111 -9.841 58 HA HIS 9 HA HIS 9 9.196 11.978 -9.464 59 HB2 HIS 9 2HB HIS 9 7.778 10.419 -11.685 60 HB3 HIS 9 1HB HIS 9 7.276 12.012 -11.122 61 HD1 HIS 9 HD1 HIS 9 9.189 10.485 -13.703 62 HD2 HIS 9 HD2 HIS 9 9.591 13.962 -11.456 63 HE1 HIS 9 HE1 HIS 9 10.762 11.951 -14.999 64 HE2 HIS 9 HE2 HIS 9 11.076 13.992 -13.570 65 H HIS 10 H HIS 10 6.973 12.427 -8.703 66 HA HIS 10 HA HIS 10 5.363 10.192 -7.743 67 HB2 HIS 10 2HB HIS 10 5.293 11.098 -5.387 68 HB3 HIS 10 1HB HIS 10 6.863 10.441 -5.843 69 HD1 HIS 10 HD1 HIS 10 5.186 13.534 -4.704 70 HD2 HIS 10 HD2 HIS 10 8.911 12.440 -6.198 71 HE1 HIS 10 HE1 HIS 10 6.701 15.478 -4.228 72 HE2 HIS 10 HE2 HIS 10 8.955 14.781 -5.105 73 H SER 11 H SER 11 3.552 10.746 -8.743 74 HA SER 11 HA SER 11 2.691 13.445 -9.214 75 HB2 SER 11 2HB SER 11 2.229 11.639 -10.849 76 HB3 SER 11 1HB SER 11 1.246 10.793 -9.655 77 HG SER 11 HG SER 11 -0.361 12.096 -10.061 78 H SER 12 H SER 12 2.743 14.112 -7.014 79 HA SER 12 HA SER 12 0.639 13.231 -5.180 80 HB2 SER 12 2HB SER 12 2.892 15.266 -4.791 81 HB3 SER 12 1HB SER 12 1.839 14.628 -3.524 82 HG SER 12 HG SER 12 2.698 12.529 -4.022 83 H GLY 13 H GLY 13 0.168 15.689 -3.876 84 HA2 GLY 13 2HA GLY 13 -0.926 17.753 -4.122 85 HA3 GLY 13 1HA GLY 13 -1.054 17.488 -5.855 86 H ILE 14 H ILE 14 -1.865 14.977 -3.614 87 HA ILE 14 HA ILE 14 -4.741 15.128 -4.261 88 HB ILE 14 HB ILE 14 -3.259 12.975 -2.642 89 HG12 ILE 14 2HG1 ILE 14 -3.862 11.464 -4.663 90 HG13 ILE 14 1HG1 ILE 14 -4.282 12.930 -5.544 91 HG21 ILE 14 1HG2 ILE 14 -6.203 13.032 -3.465 92 HG22 ILE 14 2HG2 ILE 14 -5.573 13.287 -1.842 93 HG23 ILE 14 3HG2 ILE 14 -5.394 11.714 -2.601 94 HD11 ILE 14 1HD1 ILE 14 -1.562 12.249 -4.427 95 HD12 ILE 14 2HD1 ILE 14 -1.973 13.681 -5.374 96 HD13 ILE 14 3HD1 ILE 14 -2.077 12.080 -6.107 97 H GLU 15 H GLU 15 -5.696 16.638 -3.076 98 HA GLU 15 HA GLU 15 -4.872 17.728 -0.645 99 HB2 GLU 15 2HB GLU 15 -6.388 18.841 -2.281 100 HB3 GLU 15 1HB GLU 15 -7.667 17.703 -1.878 101 HG2 GLU 15 2HG GLU 15 -7.689 18.600 0.449 102 HG3 GLU 15 1HG GLU 15 -6.444 19.762 -0.007 103 H GLY 16 H GLY 16 -4.511 16.303 0.994 104 HA2 GLY 16 2HA GLY 16 -6.245 14.054 1.572 105 HA3 GLY 16 1HA GLY 16 -4.739 14.458 2.365 106 H ARG 17 H ARG 17 -8.117 15.532 2.094 107 HA ARG 17 HA ARG 17 -8.246 15.888 5.009 108 HB2 ARG 17 2HB ARG 17 -9.536 17.995 4.778 109 HB3 ARG 17 1HB ARG 17 -7.908 18.164 4.139 110 HG2 ARG 17 2HG ARG 17 -8.778 17.973 1.836 111 HG3 ARG 17 1HG ARG 17 -10.415 17.774 2.466 112 HD2 ARG 17 2HD ARG 17 -8.669 20.246 2.824 113 HD3 ARG 17 1HD ARG 17 -10.014 20.085 1.690 114 HE ARG 17 HE ARG 17 -11.091 19.507 4.130 115 HH11 ARG 17 1HH1 ARG 17 -9.467 22.346 2.795 116 HH12 ARG 17 2HH1 ARG 17 -10.316 23.449 3.831 117 HH21 ARG 17 1HH2 ARG 17 -12.174 20.972 5.484 118 HH22 ARG 17 2HH2 ARG 17 -11.836 22.670 5.345 119 H GLY 18 H GLY 18 -10.172 15.222 5.894 120 HA2 GLY 18 2HA GLY 18 -11.919 13.636 4.165 121 HA3 GLY 18 1HA GLY 18 -11.862 13.617 5.920 122 H ARG 19 H ARG 19 -12.965 15.442 3.121 123 HA ARG 19 HA ARG 19 -14.428 17.459 4.462 124 HB2 ARG 19 2HB ARG 19 -13.714 17.650 2.109 125 HB3 ARG 19 1HB ARG 19 -14.793 16.338 1.656 126 HG2 ARG 19 2HG ARG 19 -16.737 17.776 2.359 127 HG3 ARG 19 1HG ARG 19 -15.600 19.098 2.641 128 HD2 ARG 19 2HD ARG 19 -16.671 19.323 0.445 129 HD3 ARG 19 1HD ARG 19 -14.938 19.036 0.256 130 HE ARG 19 HE ARG 19 -17.050 16.981 -0.142 131 HH11 ARG 19 1HH1 ARG 19 -13.880 18.264 -0.997 132 HH12 ARG 19 2HH1 ARG 19 -13.614 17.078 -2.231 133 HH21 ARG 19 1HH2 ARG 19 -16.654 15.421 -1.752 134 HH22 ARG 19 2HH2 ARG 19 -15.175 15.477 -2.658 135 H MET 20 H MET 20 -15.388 14.256 3.269 136 HA MET 20 HA MET 20 -18.142 14.491 4.131 137 HB2 MET 20 2HB MET 20 -18.406 12.156 3.475 138 HB3 MET 20 1HB MET 20 -17.565 13.029 2.205 139 HG2 MET 20 2HG MET 20 -15.457 12.022 2.838 140 HG3 MET 20 1HG MET 20 -16.190 11.273 4.254 141 HE1 MET 20 1HE MET 20 -16.186 11.368 0.305 142 HE2 MET 20 2HE MET 20 -17.913 11.457 0.665 143 HE3 MET 20 3HE MET 20 -17.241 10.006 -0.074 144 H LYS 21 H LYS 21 -15.138 13.528 5.545 145 HA LYS 21 HA LYS 21 -14.464 13.212 7.656 146 HB2 LYS 21 2HB LYS 21 -16.255 14.882 8.223 147 HB3 LYS 21 1HB LYS 21 -17.363 13.549 8.518 148 HG2 LYS 21 2HG LYS 21 -15.970 12.777 10.386 149 HG3 LYS 21 1HG LYS 21 -14.801 14.060 10.062 150 HD2 LYS 21 2HD LYS 21 -16.500 15.774 10.594 151 HD3 LYS 21 1HD LYS 21 -17.707 14.510 10.862 152 HE2 LYS 21 2HE LYS 21 -16.775 15.387 12.983 153 HE3 LYS 21 1HE LYS 21 -16.437 13.666 12.780 154 HZ1 LYS 21 1HZ LYS 21 -14.518 14.939 13.579 155 HZ2 LYS 21 2HZ LYS 21 -14.528 15.856 12.161 156 HZ3 LYS 21 3HZ LYS 21 -14.207 14.202 12.091 157 H LYS 22 H LYS 22 -16.820 11.144 6.277 158 HA LYS 22 HA LYS 22 -16.862 8.990 8.114 159 HB2 LYS 22 2HB LYS 22 -17.130 8.916 5.072 160 HB3 LYS 22 1HB LYS 22 -17.626 7.637 6.181 161 HG2 LYS 22 2HG LYS 22 -19.316 9.126 7.173 162 HG3 LYS 22 1HG LYS 22 -18.818 10.428 6.087 163 HD2 LYS 22 2HD LYS 22 -19.524 9.080 4.136 164 HD3 LYS 22 1HD LYS 22 -19.992 7.757 5.210 165 HE2 LYS 22 2HE LYS 22 -21.707 9.198 6.249 166 HE3 LYS 22 1HE LYS 22 -21.227 10.533 5.195 167 HZ1 LYS 22 1HZ LYS 22 -22.412 7.948 4.343 168 HZ2 LYS 22 2HZ LYS 22 -21.844 9.136 3.284 169 HZ3 LYS 22 3HZ LYS 22 -23.148 9.467 4.298 170 H LYS 23 H LYS 23 -14.742 9.851 5.469 171 HA LYS 23 HA LYS 23 -12.835 7.733 5.827 172 HB2 LYS 23 2HB LYS 23 -11.407 9.201 4.323 173 HB3 LYS 23 1HB LYS 23 -12.986 8.808 3.655 174 HG2 LYS 23 2HG LYS 23 -13.758 11.085 4.575 175 HG3 LYS 23 1HG LYS 23 -12.051 11.442 4.799 176 HD2 LYS 23 2HD LYS 23 -13.396 10.782 2.152 177 HD3 LYS 23 1HD LYS 23 -12.953 12.393 2.705 178 HE2 LYS 23 2HE LYS 23 -11.237 11.824 1.219 179 HE3 LYS 23 1HE LYS 23 -10.528 11.481 2.795 180 HZ1 LYS 23 1HZ LYS 23 -10.896 9.164 2.477 181 HZ2 LYS 23 2HZ LYS 23 -10.166 9.748 1.071 182 HZ3 LYS 23 3HZ LYS 23 -11.822 9.424 1.086 183 H GLN 24 H GLN 24 -11.199 7.667 7.267 184 HA GLN 24 HA GLN 24 -10.930 9.515 9.416 185 HB2 GLN 24 2HB GLN 24 -9.192 7.199 8.472 186 HB3 GLN 24 1HB GLN 24 -8.857 8.094 9.950 187 HG2 GLN 24 2HG GLN 24 -11.123 7.437 10.801 188 HG3 GLN 24 1HG GLN 24 -11.336 6.457 9.348 189 HE21 GLN 24 1HE2 GLN 24 -11.522 4.567 10.575 190 HE22 GLN 24 2HE2 GLN 24 -10.174 3.824 11.351 191 H ILE 25 H ILE 25 -9.521 11.199 9.728 192 HA ILE 25 HA ILE 25 -8.434 12.354 7.304 193 HB ILE 25 HB ILE 25 -8.754 13.430 10.149 194 HG12 ILE 25 2HG1 ILE 25 -10.215 15.158 9.205 195 HG13 ILE 25 1HG1 ILE 25 -9.858 14.683 7.559 196 HG21 ILE 25 1HG2 ILE 25 -6.569 14.251 9.387 197 HG22 ILE 25 2HG2 ILE 25 -7.721 15.578 9.478 198 HG23 ILE 25 3HG2 ILE 25 -7.299 14.884 7.912 199 HD11 ILE 25 1HD1 ILE 25 -11.131 12.597 7.929 200 HD12 ILE 25 2HD1 ILE 25 -12.085 14.048 8.211 201 HD13 ILE 25 3HD1 ILE 25 -11.479 13.129 9.580 202 H GLU 26 H GLU 26 -7.110 11.627 10.571 203 HA GLU 26 HA GLU 26 -4.412 12.154 9.989 204 HB2 GLU 26 2HB GLU 26 -5.344 12.003 12.290 205 HB3 GLU 26 1HB GLU 26 -5.553 10.264 12.095 206 HG2 GLU 26 2HG GLU 26 -3.105 10.003 11.858 207 HG3 GLU 26 1HG GLU 26 -2.898 11.743 12.069 208 H PHE 27 H PHE 27 -6.180 9.075 10.056 209 HA PHE 27 HA PHE 27 -4.059 7.308 9.610 210 HB2 PHE 27 2HB PHE 27 -6.401 6.693 10.389 211 HB3 PHE 27 1HB PHE 27 -6.955 6.864 8.734 212 HD1 PHE 27 HD1 PHE 27 -5.233 4.735 11.119 213 HD2 PHE 27 HD2 PHE 27 -6.108 5.224 6.962 214 HE1 PHE 27 HE1 PHE 27 -4.625 2.396 10.704 215 HE2 PHE 27 HE2 PHE 27 -5.480 2.877 6.579 216 HZ PHE 27 HZ PHE 27 -4.757 1.455 8.432 217 H GLU 28 H GLU 28 -6.278 8.918 7.300 218 HA GLU 28 HA GLU 28 -5.172 7.563 5.039 219 HB2 GLU 28 2HB GLU 28 -7.575 8.366 5.168 220 HB3 GLU 28 1HB GLU 28 -6.964 9.992 4.867 221 HG2 GLU 28 2HG GLU 28 -6.044 9.326 2.740 222 HG3 GLU 28 1HG GLU 28 -6.415 7.633 3.030 223 H ASN 29 H ASN 29 -4.714 10.705 6.584 224 HA ASN 29 HA ASN 29 -3.035 12.002 4.777 225 HB2 ASN 29 2HB ASN 29 -3.082 12.001 7.815 226 HB3 ASN 29 1HB ASN 29 -1.811 12.863 6.968 227 HD21 ASN 29 1HD2 ASN 29 -2.599 14.732 8.000 228 HD22 ASN 29 2HD2 ASN 29 -3.979 15.568 7.394 229 H GLU 30 H GLU 30 -2.346 9.434 7.112 230 HA GLU 30 HA GLU 30 0.530 9.516 6.752 231 HB2 GLU 30 2HB GLU 30 -1.311 7.682 8.323 232 HB3 GLU 30 1HB GLU 30 0.419 7.376 8.206 233 HG2 GLU 30 2HG GLU 30 0.906 9.536 9.260 234 HG3 GLU 30 1HG GLU 30 -0.811 9.910 9.356 235 H LEU 31 H LEU 31 -2.091 7.329 5.710 236 HA LEU 31 HA LEU 31 -0.314 5.508 4.325 237 HB2 LEU 31 2HB LEU 31 -2.415 4.562 5.076 238 HB3 LEU 31 1HB LEU 31 -3.346 5.677 4.114 239 HG LEU 31 HG LEU 31 -1.485 3.794 2.636 240 HD11 LEU 31 1HD1 LEU 31 -2.636 2.255 4.172 241 HD12 LEU 31 2HD1 LEU 31 -3.087 1.989 2.502 242 HD13 LEU 31 3HD1 LEU 31 -4.202 2.822 3.583 243 HD21 LEU 31 1HD2 LEU 31 -2.707 5.441 1.281 244 HD22 LEU 31 2HD2 LEU 31 -4.255 4.840 1.886 245 HD23 LEU 31 3HD2 LEU 31 -3.238 3.805 0.896 246 H ARG 32 H ARG 32 -2.028 8.413 3.391 247 HA ARG 32 HA ARG 32 -1.627 8.099 0.556 248 HB2 ARG 32 2HB ARG 32 -2.585 10.403 2.277 249 HB3 ARG 32 1HB ARG 32 -2.042 10.760 0.650 250 HG2 ARG 32 2HG ARG 32 -4.369 8.970 1.438 251 HG3 ARG 32 1HG ARG 32 -4.441 10.564 0.691 252 HD2 ARG 32 2HD ARG 32 -3.461 7.986 -0.540 253 HD3 ARG 32 1HD ARG 32 -4.837 8.984 -1.027 254 HE ARG 32 HE ARG 32 -2.796 10.694 -1.342 255 HH11 ARG 32 1HH1 ARG 32 -3.233 7.403 -2.469 256 HH12 ARG 32 2HH1 ARG 32 -2.228 7.618 -3.862 257 HH21 ARG 32 1HH2 ARG 32 -1.362 10.919 -3.108 258 HH22 ARG 32 2HH2 ARG 32 -1.163 9.604 -4.232 259 H SER 33 H SER 33 0.091 9.696 3.228 260 HA SER 33 HA SER 33 2.003 11.104 1.669 261 HB2 SER 33 2HB SER 33 1.503 11.758 3.988 262 HB3 SER 33 1HB SER 33 2.078 10.202 4.588 263 HG SER 33 HG SER 33 4.077 10.877 4.422 264 H MET 34 H MET 34 2.045 7.929 3.312 265 HA MET 34 HA MET 34 4.754 7.313 2.538 266 HB2 MET 34 2HB MET 34 2.586 5.511 3.723 267 HB3 MET 34 1HB MET 34 4.224 4.974 3.394 268 HG2 MET 34 2HG MET 34 5.067 6.675 5.039 269 HG3 MET 34 1HG MET 34 3.393 7.072 5.418 270 HE1 MET 34 1HE MET 34 2.109 3.948 7.292 271 HE2 MET 34 2HE MET 34 1.847 4.263 5.581 272 HE3 MET 34 3HE MET 34 1.767 5.590 6.745 273 H LEU 35 H LEU 35 1.584 6.747 1.094 274 HA LEU 35 HA LEU 35 2.462 4.779 -0.796 275 HB2 LEU 35 2HB LEU 35 -0.037 5.361 -0.225 276 HB3 LEU 35 1HB LEU 35 0.128 6.692 -1.345 277 HG LEU 35 HG LEU 35 0.406 3.738 -2.120 278 HD11 LEU 35 1HD1 LEU 35 -1.813 3.991 -3.205 279 HD12 LEU 35 2HD1 LEU 35 -2.000 5.558 -2.408 280 HD13 LEU 35 3HD1 LEU 35 -1.853 4.086 -1.456 281 HD21 LEU 35 1HD2 LEU 35 0.185 4.485 -4.436 282 HD22 LEU 35 2HD2 LEU 35 1.608 5.190 -3.681 283 HD23 LEU 35 3HD2 LEU 35 0.160 6.172 -3.912 284 H ALA 36 H ALA 36 2.110 8.302 -0.879 285 HA ALA 36 HA ALA 36 2.991 8.878 -3.465 286 HB1 ALA 36 1HB ALA 36 3.418 11.152 -2.618 287 HB2 ALA 36 2HB ALA 36 3.298 10.556 -0.958 288 HB3 ALA 36 3HB ALA 36 1.884 10.522 -2.013 289 H THR 37 H THR 37 4.810 8.663 -0.412 290 HA THR 37 HA THR 37 7.365 9.311 -1.264 291 HB THR 37 HB THR 37 6.626 7.277 0.886 292 HG1 THR 37 HG1 THR 37 6.263 9.949 0.756 293 HG21 THR 37 1HG2 THR 37 9.169 8.909 0.518 294 HG22 THR 37 2HG2 THR 37 9.030 7.161 0.325 295 HG23 THR 37 3HG2 THR 37 8.794 7.882 1.912 296 H ALA 38 H ALA 38 5.690 6.208 -1.151 297 HA ALA 38 HA ALA 38 7.830 4.569 -2.049 298 HB1 ALA 38 1HB ALA 38 6.163 2.779 -2.112 299 HB2 ALA 38 2HB ALA 38 4.870 3.961 -1.913 300 HB3 ALA 38 3HB ALA 38 6.046 3.716 -0.628 301 H LEU 39 H LEU 39 5.514 6.502 -3.794 302 HA LEU 39 HA LEU 39 5.839 5.123 -6.311 303 HB2 LEU 39 2HB LEU 39 4.797 7.921 -5.764 304 HB3 LEU 39 1HB LEU 39 4.744 7.141 -7.331 305 HG LEU 39 HG LEU 39 3.207 6.217 -4.876 306 HD11 LEU 39 1HD1 LEU 39 2.391 8.366 -5.649 307 HD12 LEU 39 2HD1 LEU 39 1.210 7.096 -5.946 308 HD13 LEU 39 3HD1 LEU 39 2.176 7.727 -7.285 309 HD21 LEU 39 1HD2 LEU 39 3.491 4.243 -6.196 310 HD22 LEU 39 2HD2 LEU 39 3.212 5.111 -7.710 311 HD23 LEU 39 3HD2 LEU 39 1.887 4.840 -6.585 312 H GLU 40 H GLU 40 7.644 7.709 -4.699 313 HA GLU 40 HA GLU 40 9.388 7.893 -7.075 314 HB2 GLU 40 2HB GLU 40 10.479 9.747 -6.135 315 HB3 GLU 40 1HB GLU 40 8.793 9.984 -5.693 316 HG2 GLU 40 2HG GLU 40 9.313 9.104 -3.432 317 HG3 GLU 40 1HG GLU 40 10.994 8.940 -3.882 318 H LYS 41 H LYS 41 9.135 6.096 -4.143 319 HA LYS 41 HA LYS 41 11.923 5.267 -4.088 320 HB2 LYS 41 2HB LYS 41 9.442 4.050 -2.804 321 HB3 LYS 41 1HB LYS 41 11.067 3.425 -2.576 322 HG2 LYS 41 2HG LYS 41 10.044 6.134 -1.715 323 HG3 LYS 41 1HG LYS 41 10.391 4.752 -0.664 324 HD2 LYS 41 2HD LYS 41 12.819 4.886 -1.512 325 HD3 LYS 41 1HD LYS 41 12.392 6.431 -2.244 326 HE2 LYS 41 2HE LYS 41 13.551 6.627 -0.036 327 HE3 LYS 41 1HE LYS 41 11.974 7.416 -0.033 328 HZ1 LYS 41 1HZ LYS 41 12.258 6.131 1.946 329 HZ2 LYS 41 2HZ LYS 41 12.637 4.737 1.073 330 HZ3 LYS 41 3HZ LYS 41 11.077 5.382 1.003 331 H ASP 42 H ASP 42 12.796 3.404 -4.992 332 HA ASP 42 HA ASP 42 11.574 2.210 -7.287 333 HB2 ASP 42 2HB ASP 42 13.980 1.171 -5.703 334 HB3 ASP 42 1HB ASP 42 13.546 0.719 -7.349 335 H ILE 43 H ILE 43 9.640 1.212 -6.744 336 HA ILE 43 HA ILE 43 9.638 -0.945 -4.728 337 HB ILE 43 HB ILE 43 7.140 -0.950 -5.008 338 HG12 ILE 43 2HG1 ILE 43 7.665 1.404 -6.877 339 HG13 ILE 43 1HG1 ILE 43 6.808 -0.085 -7.243 340 HG21 ILE 43 1HG2 ILE 43 8.181 0.321 -3.192 341 HG22 ILE 43 2HG2 ILE 43 6.717 1.121 -3.753 342 HG23 ILE 43 3HG2 ILE 43 8.298 1.745 -4.229 343 HD11 ILE 43 1HD1 ILE 43 5.013 0.610 -5.683 344 HD12 ILE 43 2HD1 ILE 43 5.240 1.712 -7.040 345 HD13 ILE 43 3HD1 ILE 43 5.857 2.144 -5.446 346 H SER 44 H SER 44 9.205 -3.029 -5.249 347 HA SER 44 HA SER 44 10.164 -4.134 -7.626 348 HB2 SER 44 2HB SER 44 8.255 -5.528 -5.681 349 HB3 SER 44 1HB SER 44 9.510 -6.281 -6.656 350 HG SER 44 HG SER 44 9.666 -5.068 -4.226 351 H GLN 45 H GLN 45 8.997 -5.273 -9.444 352 HA GLN 45 HA GLN 45 7.098 -3.757 -10.714 353 HB2 GLN 45 2HB GLN 45 8.380 -5.384 -11.943 354 HB3 GLN 45 1HB GLN 45 7.677 -6.732 -11.061 355 HG2 GLN 45 2HG GLN 45 5.488 -6.267 -12.128 356 HG3 GLN 45 1HG GLN 45 6.207 -4.908 -12.991 357 HE21 GLN 45 1HE2 GLN 45 5.653 -5.846 -15.004 358 HE22 GLN 45 2HE2 GLN 45 6.482 -7.225 -15.639 359 H GLU 46 H GLU 46 6.418 -6.441 -8.504 360 HA GLU 46 HA GLU 46 3.581 -6.620 -9.089 361 HB2 GLU 46 2HB GLU 46 5.171 -7.915 -6.823 362 HB3 GLU 46 1HB GLU 46 3.552 -8.364 -7.344 363 HG2 GLU 46 2HG GLU 46 5.018 -10.036 -8.168 364 HG3 GLU 46 1HG GLU 46 4.557 -9.061 -9.564 365 H GLU 47 H GLU 47 5.564 -4.789 -7.116 366 HA GLU 47 HA GLU 47 3.785 -4.326 -4.854 367 HB2 GLU 47 2HB GLU 47 6.404 -4.676 -4.784 368 HB3 GLU 47 1HB GLU 47 6.527 -3.063 -5.437 369 HG2 GLU 47 2HG GLU 47 5.596 -2.123 -3.398 370 HG3 GLU 47 1HG GLU 47 5.321 -3.734 -2.735 371 H ARG 48 H ARG 48 5.224 -2.773 -7.648 372 HA ARG 48 HA ARG 48 4.033 -0.217 -7.516 373 HB2 ARG 48 2HB ARG 48 6.011 -0.879 -8.955 374 HB3 ARG 48 1HB ARG 48 4.891 -1.733 -10.011 375 HG2 ARG 48 2HG ARG 48 3.699 0.468 -10.374 376 HG3 ARG 48 1HG ARG 48 4.987 1.253 -9.463 377 HD2 ARG 48 2HD ARG 48 5.284 -0.284 -12.062 378 HD3 ARG 48 1HD ARG 48 5.411 1.466 -11.857 379 HE ARG 48 HE ARG 48 7.375 0.954 -10.371 380 HH11 ARG 48 1HH1 ARG 48 6.515 -1.257 -12.965 381 HH12 ARG 48 2HH1 ARG 48 8.132 -1.865 -13.134 382 HH21 ARG 48 1HH2 ARG 48 9.484 0.172 -10.623 383 HH22 ARG 48 2HH2 ARG 48 9.813 -1.055 -11.806 384 H ASN 49 H ASN 49 3.146 -3.290 -9.060 385 HA ASN 49 HA ASN 49 0.699 -2.528 -10.185 386 HB2 ASN 49 2HB ASN 49 1.590 -5.245 -9.150 387 HB3 ASN 49 1HB ASN 49 0.066 -4.995 -10.000 388 HD21 ASN 49 1HD2 ASN 49 1.896 -6.769 -10.987 389 HD22 ASN 49 2HD2 ASN 49 2.597 -6.163 -12.445 390 H ALA 50 H ALA 50 1.466 -3.592 -6.888 391 HA ALA 50 HA ALA 50 -1.143 -3.876 -5.853 392 HB1 ALA 50 1HB ALA 50 -0.081 -3.798 -3.643 393 HB2 ALA 50 2HB ALA 50 1.405 -3.165 -4.359 394 HB3 ALA 50 3HB ALA 50 0.857 -4.796 -4.753 395 H LEU 51 H LEU 51 1.111 -1.070 -5.607 396 HA LEU 51 HA LEU 51 -0.813 0.551 -4.194 397 HB2 LEU 51 2HB LEU 51 1.786 1.444 -5.508 398 HB3 LEU 51 1HB LEU 51 0.871 2.360 -4.326 399 HG LEU 51 HG LEU 51 2.418 -0.218 -3.799 400 HD11 LEU 51 1HD1 LEU 51 3.892 1.698 -4.108 401 HD12 LEU 51 2HD1 LEU 51 3.918 1.176 -2.434 402 HD13 LEU 51 3HD1 LEU 51 3.011 2.614 -2.898 403 HD21 LEU 51 1HD2 LEU 51 0.591 -0.314 -2.262 404 HD22 LEU 51 2HD2 LEU 51 0.725 1.400 -1.864 405 HD23 LEU 51 3HD2 LEU 51 1.974 0.269 -1.349 406 H ASN 52 H ASN 52 0.094 0.263 -7.598 407 HA ASN 52 HA ASN 52 -1.413 2.446 -8.583 408 HB2 ASN 52 2HB ASN 52 -0.482 -0.090 -9.925 409 HB3 ASN 52 1HB ASN 52 -1.488 1.061 -10.781 410 HD21 ASN 52 1HD2 ASN 52 0.012 1.690 -12.280 411 HD22 ASN 52 2HD2 ASN 52 1.444 2.580 -11.885 412 H ILE 53 H ILE 53 -2.288 -0.971 -8.108 413 HA ILE 53 HA ILE 53 -4.943 -0.937 -9.047 414 HB ILE 53 HB ILE 53 -3.410 -2.714 -7.128 415 HG12 ILE 53 2HG1 ILE 53 -4.773 -3.319 -9.799 416 HG13 ILE 53 1HG1 ILE 53 -3.068 -2.948 -9.586 417 HG21 ILE 53 1HG2 ILE 53 -5.326 -4.263 -6.880 418 HG22 ILE 53 2HG2 ILE 53 -6.379 -3.076 -7.654 419 HG23 ILE 53 3HG2 ILE 53 -5.620 -2.703 -6.108 420 HD11 ILE 53 1HD1 ILE 53 -4.501 -5.375 -8.519 421 HD12 ILE 53 2HD1 ILE 53 -2.804 -4.980 -8.235 422 HD13 ILE 53 3HD1 ILE 53 -3.369 -5.309 -9.871 423 H ALA 54 H ALA 54 -3.555 -0.345 -5.840 424 HA ALA 54 HA ALA 54 -5.898 0.094 -4.362 425 HB1 ALA 54 1HB ALA 54 -4.444 1.213 -2.740 426 HB2 ALA 54 2HB ALA 54 -3.148 1.315 -3.937 427 HB3 ALA 54 3HB ALA 54 -3.685 -0.257 -3.346 428 H GLU 55 H GLU 55 -3.788 2.338 -6.183 429 HA GLU 55 HA GLU 55 -4.993 4.765 -5.481 430 HB2 GLU 55 2HB GLU 55 -2.751 4.471 -6.617 431 HB3 GLU 55 1HB GLU 55 -3.608 4.184 -8.123 432 HG2 GLU 55 2HG GLU 55 -2.867 6.453 -8.141 433 HG3 GLU 55 1HG GLU 55 -4.619 6.478 -7.911 434 H LYS 56 H LYS 56 -5.691 2.601 -8.252 435 HA LYS 56 HA LYS 56 -7.538 4.329 -9.546 436 HB2 LYS 56 2HB LYS 56 -7.127 1.335 -9.739 437 HB3 LYS 56 1HB LYS 56 -8.347 2.166 -10.688 438 HG2 LYS 56 2HG LYS 56 -5.358 2.700 -10.807 439 HG3 LYS 56 1HG LYS 56 -6.287 1.762 -11.977 440 HD2 LYS 56 2HD LYS 56 -7.613 3.785 -12.535 441 HD3 LYS 56 1HD LYS 56 -6.683 4.717 -11.362 442 HE2 LYS 56 2HE LYS 56 -4.637 4.349 -12.678 443 HE3 LYS 56 1HE LYS 56 -5.546 3.385 -13.843 444 HZ1 LYS 56 1HZ LYS 56 -6.868 5.347 -14.378 445 HZ2 LYS 56 2HZ LYS 56 -5.225 5.657 -14.621 446 HZ3 LYS 56 3HZ LYS 56 -6.006 6.269 -13.253 447 H ALA 57 H ALA 57 -7.849 1.871 -7.054 448 HA ALA 57 HA ALA 57 -10.710 1.894 -6.871 449 HB1 ALA 57 1HB ALA 57 -9.337 -0.045 -6.189 450 HB2 ALA 57 2HB ALA 57 -10.384 0.512 -4.896 451 HB3 ALA 57 3HB ALA 57 -8.665 0.893 -4.860 452 H LEU 58 H LEU 58 -8.096 3.768 -5.312 453 HA LEU 58 HA LEU 58 -9.656 5.034 -3.273 454 HB2 LEU 58 2HB LEU 58 -7.292 6.275 -4.764 455 HB3 LEU 58 1HB LEU 58 -7.916 6.819 -3.224 456 HG LEU 58 HG LEU 58 -6.256 4.288 -3.757 457 HD11 LEU 58 1HD1 LEU 58 -5.397 6.659 -2.074 458 HD12 LEU 58 2HD1 LEU 58 -4.831 6.295 -3.709 459 HD13 LEU 58 3HD1 LEU 58 -4.480 5.190 -2.394 460 HD21 LEU 58 1HD2 LEU 58 -6.101 3.920 -1.276 461 HD22 LEU 58 2HD2 LEU 58 -7.653 3.539 -1.970 462 HD23 LEU 58 3HD2 LEU 58 -7.443 5.040 -1.056 463 H ASP 59 H ASP 59 -8.934 5.850 -6.644 464 HA ASP 59 HA ASP 59 -10.366 8.301 -6.735 465 HB2 ASP 59 2HB ASP 59 -8.641 7.590 -8.433 466 HB3 ASP 59 1HB ASP 59 -9.801 6.433 -9.075 467 H ASN 60 H ASN 60 -11.324 4.940 -7.230 468 HA ASN 60 HA ASN 60 -14.012 5.598 -8.084 469 HB2 ASN 60 2HB ASN 60 -12.840 3.503 -8.872 470 HB3 ASN 60 1HB ASN 60 -12.919 2.852 -7.238 471 HD21 ASN 60 1HD2 ASN 60 -14.283 1.143 -7.683 472 HD22 ASN 60 2HD2 ASN 60 -15.908 1.309 -8.239 473 H SER 61 H SER 61 -12.393 5.295 -5.034 474 HA SER 61 HA SER 61 -13.021 5.320 -2.871 475 HB2 SER 61 2HB SER 61 -13.929 7.512 -3.650 476 HB3 SER 61 1HB SER 61 -15.488 6.748 -3.950 477 HG SER 61 HG SER 61 -15.697 6.343 -1.760 478 H GLU 62 H GLU 62 -13.346 2.830 -3.509 479 HA GLU 62 HA GLU 62 -16.000 1.792 -3.363 480 HB2 GLU 62 2HB GLU 62 -13.287 0.466 -3.097 481 HB3 GLU 62 1HB GLU 62 -14.757 -0.431 -2.724 482 HG2 GLU 62 2HG GLU 62 -14.124 0.910 -5.372 483 HG3 GLU 62 1HG GLU 62 -13.994 -0.816 -5.031 484 H TYR 63 H TYR 63 -13.451 1.523 -0.808 485 HA TYR 63 HA TYR 63 -14.889 2.644 1.260 486 HB2 TYR 63 2HB TYR 63 -16.087 0.226 0.739 487 HB3 TYR 63 1HB TYR 63 -14.807 -0.343 1.799 488 HD1 TYR 63 HD1 TYR 63 -15.314 -0.426 4.110 489 HD2 TYR 63 HD2 TYR 63 -17.414 2.327 1.631 490 HE1 TYR 63 HE1 TYR 63 -16.700 0.238 6.030 491 HE2 TYR 63 HE2 TYR 63 -18.802 3.008 3.551 492 HH TYR 63 HH TYR 63 -18.036 2.268 6.725 493 H LEU 64 H LEU 64 -13.640 2.182 3.406 494 HA LEU 64 HA LEU 64 -10.820 2.404 2.600 495 HB2 LEU 64 2HB LEU 64 -12.227 3.346 5.074 496 HB3 LEU 64 1HB LEU 64 -10.628 2.735 5.356 497 HG LEU 64 HG LEU 64 -10.535 5.106 5.287 498 HD11 LEU 64 1HD1 LEU 64 -9.282 4.386 2.644 499 HD12 LEU 64 2HD1 LEU 64 -8.657 3.827 4.192 500 HD13 LEU 64 3HD1 LEU 64 -8.766 5.544 3.857 501 HD21 LEU 64 1HD2 LEU 64 -11.764 5.253 2.516 502 HD22 LEU 64 2HD2 LEU 64 -11.135 6.585 3.471 503 HD23 LEU 64 3HD2 LEU 64 -12.548 5.714 4.033 504 HA PRO 65 HA PRO 65 -10.915 -1.745 5.557 505 HB2 PRO 65 2HB PRO 65 -13.778 -2.144 4.603 506 HB3 PRO 65 1HB PRO 65 -12.955 -2.841 6.019 507 HG2 PRO 65 2HG PRO 65 -14.577 -0.773 6.313 508 HG3 PRO 65 1HG PRO 65 -13.058 -0.872 7.235 509 HD2 PRO 65 2HD PRO 65 -13.750 0.895 4.932 510 HD3 PRO 65 1HD PRO 65 -12.588 1.159 6.249 511 H LYS 66 H LYS 66 -12.430 -0.952 2.408 512 HA LYS 66 HA LYS 66 -12.239 -3.677 1.449 513 HB2 LYS 66 2HB LYS 66 -13.281 -1.137 0.176 514 HB3 LYS 66 1HB LYS 66 -12.998 -2.568 -0.804 515 HG2 LYS 66 2HG LYS 66 -14.909 -2.369 1.543 516 HG3 LYS 66 1HG LYS 66 -15.339 -2.408 -0.160 517 HD2 LYS 66 2HD LYS 66 -14.464 -4.709 -0.340 518 HD3 LYS 66 1HD LYS 66 -13.978 -4.663 1.359 519 HE2 LYS 66 2HE LYS 66 -16.343 -4.396 2.028 520 HE3 LYS 66 1HE LYS 66 -16.830 -4.445 0.333 521 HZ1 LYS 66 1HZ LYS 66 -15.419 -6.657 1.729 522 HZ2 LYS 66 2HZ LYS 66 -16.074 -6.698 0.168 523 HZ3 LYS 66 3HZ LYS 66 -17.093 -6.579 1.512 524 H ILE 67 H ILE 67 -10.594 -0.587 0.897 525 HA ILE 67 HA ILE 67 -8.822 -1.684 -1.119 526 HB ILE 67 HB ILE 67 -8.604 0.986 0.339 527 HG12 ILE 67 2HG1 ILE 67 -10.101 0.145 -2.171 528 HG13 ILE 67 1HG1 ILE 67 -10.768 0.858 -0.722 529 HG21 ILE 67 1HG2 ILE 67 -7.345 0.055 -2.284 530 HG22 ILE 67 2HG2 ILE 67 -6.486 0.331 -0.768 531 HG23 ILE 67 3HG2 ILE 67 -7.233 1.683 -1.615 532 HD11 ILE 67 1HD1 ILE 67 -10.657 2.367 -2.677 533 HD12 ILE 67 2HD1 ILE 67 -8.904 2.317 -2.561 534 HD13 ILE 67 3HD1 ILE 67 -9.859 2.965 -1.231 535 H ILE 68 H ILE 68 -8.697 -1.147 2.379 536 HA ILE 68 HA ILE 68 -5.918 -1.746 2.737 537 HB ILE 68 HB ILE 68 -8.244 -1.985 4.695 538 HG12 ILE 68 2HG1 ILE 68 -5.932 0.021 4.584 539 HG13 ILE 68 1HG1 ILE 68 -7.576 0.354 4.065 540 HG21 ILE 68 1HG2 ILE 68 -5.297 -2.467 5.266 541 HG22 ILE 68 2HG2 ILE 68 -6.597 -3.648 5.385 542 HG23 ILE 68 3HG2 ILE 68 -6.539 -2.291 6.509 543 HD11 ILE 68 1HD1 ILE 68 -7.350 1.313 6.173 544 HD12 ILE 68 2HD1 ILE 68 -6.587 -0.124 6.851 545 HD13 ILE 68 3HD1 ILE 68 -8.296 -0.150 6.421 546 H LEU 69 H LEU 69 -8.886 -3.671 2.565 547 HA LEU 69 HA LEU 69 -7.885 -6.219 3.129 548 HB2 LEU 69 2HB LEU 69 -10.303 -5.633 2.911 549 HB3 LEU 69 1HB LEU 69 -10.067 -5.452 1.178 550 HG LEU 69 HG LEU 69 -9.685 -7.847 0.858 551 HD11 LEU 69 1HD1 LEU 69 -9.903 -8.294 3.853 552 HD12 LEU 69 2HD1 LEU 69 -8.429 -8.381 2.884 553 HD13 LEU 69 3HD1 LEU 69 -9.728 -9.527 2.603 554 HD21 LEU 69 1HD2 LEU 69 -12.093 -7.230 0.894 555 HD22 LEU 69 2HD2 LEU 69 -12.169 -7.591 2.623 556 HD23 LEU 69 3HD2 LEU 69 -11.823 -8.870 1.466 557 H ASN 70 H ASN 70 -8.230 -4.556 -0.056 558 HA ASN 70 HA ASN 70 -7.177 -6.652 -1.656 559 HB2 ASN 70 2HB ASN 70 -7.174 -3.675 -2.379 560 HB3 ASN 70 1HB ASN 70 -7.093 -5.032 -3.495 561 HD21 ASN 70 1HD2 ASN 70 -8.975 -2.768 -3.210 562 HD22 ASN 70 2HD2 ASN 70 -10.542 -3.497 -3.138 563 H LEU 71 H LEU 71 -5.615 -3.912 -0.023 564 HA LEU 71 HA LEU 71 -3.216 -3.996 -1.647 565 HB2 LEU 71 2HB LEU 71 -4.420 -1.974 -0.278 566 HB3 LEU 71 1HB LEU 71 -3.311 -2.477 0.974 567 HG LEU 71 HG LEU 71 -2.514 -1.502 -1.803 568 HD11 LEU 71 1HD1 LEU 71 -2.316 -0.065 0.863 569 HD12 LEU 71 2HD1 LEU 71 -3.430 0.309 -0.456 570 HD13 LEU 71 3HD1 LEU 71 -1.698 0.522 -0.686 571 HD21 LEU 71 1HD2 LEU 71 -0.721 -2.208 0.542 572 HD22 LEU 71 2HD2 LEU 71 -0.200 -1.428 -0.954 573 HD23 LEU 71 3HD2 LEU 71 -0.830 -3.066 -0.996 574 H ARG 72 H ARG 72 -4.261 -4.837 1.589 575 HA ARG 72 HA ARG 72 -1.814 -6.046 2.501 576 HB2 ARG 72 2HB ARG 72 -3.480 -5.108 4.098 577 HB3 ARG 72 1HB ARG 72 -4.674 -6.288 3.596 578 HG2 ARG 72 2HG ARG 72 -3.088 -8.075 4.476 579 HG3 ARG 72 1HG ARG 72 -2.156 -6.755 5.192 580 HD2 ARG 72 2HD ARG 72 -4.219 -6.010 6.407 581 HD3 ARG 72 1HD ARG 72 -5.077 -7.396 5.727 582 HE ARG 72 HE ARG 72 -2.716 -8.202 7.105 583 HH11 ARG 72 1HH1 ARG 72 -6.049 -7.204 7.672 584 HH12 ARG 72 2HH1 ARG 72 -6.158 -8.056 9.179 585 HH21 ARG 72 1HH2 ARG 72 -2.894 -9.340 9.032 586 HH22 ARG 72 2HH2 ARG 72 -4.371 -9.264 9.947 587 H LYS 73 H LYS 73 -4.509 -7.128 0.500 588 HA LYS 73 HA LYS 73 -4.119 -9.963 0.963 589 HB2 LYS 73 2HB LYS 73 -6.311 -8.728 0.195 590 HB3 LYS 73 1HB LYS 73 -5.632 -8.772 -1.417 591 HG2 LYS 73 2HG LYS 73 -5.985 -11.291 0.220 592 HG3 LYS 73 1HG LYS 73 -7.316 -10.601 -0.707 593 HD2 LYS 73 2HD LYS 73 -6.118 -10.899 -2.788 594 HD3 LYS 73 1HD LYS 73 -4.645 -11.376 -1.933 595 HE2 LYS 73 2HE LYS 73 -5.829 -13.319 -2.876 596 HE3 LYS 73 1HE LYS 73 -5.750 -13.402 -1.117 597 HZ1 LYS 73 1HZ LYS 73 -8.023 -12.677 -0.994 598 HZ2 LYS 73 2HZ LYS 73 -7.926 -14.018 -2.018 599 HZ3 LYS 73 3HZ LYS 73 -8.102 -12.467 -2.668 600 H ALA 74 H ALA 74 -3.005 -7.469 -1.250 601 HA ALA 74 HA ALA 74 -1.557 -9.240 -2.998 602 HB1 ALA 74 1HB ALA 74 -1.375 -6.220 -2.645 603 HB2 ALA 74 2HB ALA 74 -2.363 -7.078 -3.821 604 HB3 ALA 74 3HB ALA 74 -0.606 -7.145 -3.935 605 H LEU 75 H LEU 75 -0.723 -7.268 -0.092 606 HA LEU 75 HA LEU 75 2.107 -7.804 -0.504 607 HB2 LEU 75 2HB LEU 75 0.878 -6.152 1.732 608 HB3 LEU 75 1HB LEU 75 2.584 -6.275 1.364 609 HG LEU 75 HG LEU 75 0.450 -4.715 -0.097 610 HD11 LEU 75 1HD1 LEU 75 3.136 -3.935 1.056 611 HD12 LEU 75 2HD1 LEU 75 1.531 -3.519 1.659 612 HD13 LEU 75 3HD1 LEU 75 2.084 -2.859 0.131 613 HD21 LEU 75 1HD2 LEU 75 3.126 -5.465 -1.335 614 HD22 LEU 75 2HD2 LEU 75 2.100 -4.146 -1.890 615 HD23 LEU 75 3HD2 LEU 75 1.506 -5.791 -1.977 616 H THR 76 H THR 76 -0.354 -9.049 1.676 617 HA THR 76 HA THR 76 1.401 -10.008 3.657 618 HB THR 76 HB THR 76 -1.373 -11.044 2.943 619 HG1 THR 76 HG1 THR 76 -0.299 -9.156 4.652 620 HG21 THR 76 1HG2 THR 76 -0.174 -12.924 3.993 621 HG22 THR 76 2HG2 THR 76 -1.357 -12.247 5.111 622 HG23 THR 76 3HG2 THR 76 0.358 -11.879 5.307 623 HA PRO 77 HA PRO 77 1.714 -14.303 1.285 624 HB2 PRO 77 2HB PRO 77 1.359 -13.559 -1.598 625 HB3 PRO 77 1HB PRO 77 0.736 -14.963 -0.707 626 HG2 PRO 77 2HG PRO 77 -0.890 -12.986 -1.454 627 HG3 PRO 77 1HG PRO 77 -1.106 -13.819 0.105 628 HD2 PRO 77 2HD PRO 77 0.144 -11.129 -0.441 629 HD3 PRO 77 1HD PRO 77 -0.977 -11.622 0.834 630 H LEU 78 H LEU 78 2.708 -11.327 -0.404 631 HA LEU 78 HA LEU 78 5.230 -12.356 -1.307 632 HB2 LEU 78 2HB LEU 78 4.562 -9.394 -0.976 633 HB3 LEU 78 1HB LEU 78 5.829 -10.072 -1.977 634 HG LEU 78 HG LEU 78 2.827 -10.335 -2.517 635 HD11 LEU 78 1HD1 LEU 78 3.681 -8.024 -2.904 636 HD12 LEU 78 2HD1 LEU 78 3.098 -8.803 -4.361 637 HD13 LEU 78 3HD1 LEU 78 4.831 -8.671 -4.072 638 HD21 LEU 78 1HD2 LEU 78 5.133 -11.290 -4.259 639 HD22 LEU 78 2HD2 LEU 78 3.437 -11.243 -4.737 640 HD23 LEU 78 3HD2 LEU 78 3.942 -12.296 -3.433 641 H ALA 79 H ALA 79 4.135 -10.670 1.550 642 HA ALA 79 HA ALA 79 6.658 -10.029 2.707 643 HB1 ALA 79 1HB ALA 79 4.565 -8.951 3.439 644 HB2 ALA 79 2HB ALA 79 5.378 -9.723 4.801 645 HB3 ALA 79 3HB ALA 79 3.971 -10.492 4.060 646 H ILE 80 H ILE 80 4.412 -12.747 3.083 647 HA ILE 80 HA ILE 80 5.903 -14.230 5.002 648 HB ILE 80 HB ILE 80 3.675 -15.111 3.097 649 HG12 ILE 80 2HG1 ILE 80 3.573 -14.228 6.033 650 HG13 ILE 80 1HG1 ILE 80 2.961 -13.333 4.652 651 HG21 ILE 80 1HG2 ILE 80 3.326 -17.081 4.562 652 HG22 ILE 80 2HG2 ILE 80 4.741 -16.628 5.513 653 HG23 ILE 80 3HG2 ILE 80 4.932 -17.099 3.825 654 HD11 ILE 80 1HD1 ILE 80 1.278 -15.062 4.286 655 HD12 ILE 80 2HD1 ILE 80 1.172 -14.336 5.888 656 HD13 ILE 80 3HD1 ILE 80 1.880 -15.940 5.696 657 H ASN 81 H ASN 81 5.806 -14.285 1.446 658 HA ASN 81 HA ASN 81 7.824 -16.364 1.241 659 HB2 ASN 81 2HB ASN 81 6.578 -14.557 -0.867 660 HB3 ASN 81 1HB ASN 81 7.830 -15.747 -1.230 661 HD21 ASN 81 1HD2 ASN 81 5.330 -15.828 -2.414 662 HD22 ASN 81 2HD2 ASN 81 4.493 -17.237 -1.870 663 H ARG 82 H ARG 82 7.893 -12.994 1.871 664 HA ARG 82 HA ARG 82 9.656 -11.758 2.642 665 HB2 ARG 82 2HB ARG 82 11.581 -14.105 2.202 666 HB3 ARG 82 1HB ARG 82 11.727 -12.820 3.374 667 HG2 ARG 82 2HG ARG 82 9.450 -14.713 3.790 668 HG3 ARG 82 1HG ARG 82 11.049 -15.387 3.979 669 HD2 ARG 82 2HD ARG 82 11.526 -13.825 5.816 670 HD3 ARG 82 1HD ARG 82 9.954 -13.048 5.635 671 HE ARG 82 HE ARG 82 9.835 -15.905 6.013 672 HH11 ARG 82 1HH1 ARG 82 9.884 -12.808 7.718 673 HH12 ARG 82 2HH1 ARG 82 9.146 -13.467 9.146 674 HH21 ARG 82 1HH2 ARG 82 8.837 -16.715 7.867 675 HH22 ARG 82 2HH2 ARG 82 8.550 -15.673 9.227 676 H THR 83 H THR 83 8.950 -11.383 0.046 677 HA THR 83 HA THR 83 11.535 -10.904 -1.327 678 HB THR 83 HB THR 83 9.991 -12.813 -2.279 679 HG1 THR 83 HG1 THR 83 11.090 -10.726 -3.883 680 HG21 THR 83 1HG2 THR 83 7.907 -11.389 -2.333 681 HG22 THR 83 2HG2 THR 83 8.300 -12.155 -3.867 682 HG23 THR 83 3HG2 THR 83 8.646 -10.444 -3.620 683 H LEU 84 H LEU 84 8.927 -9.400 0.087 684 HA LEU 84 HA LEU 84 8.558 -7.162 -1.701 685 HB2 LEU 84 2HB LEU 84 6.914 -7.989 0.052 686 HB3 LEU 84 1HB LEU 84 7.960 -7.330 1.293 687 HG LEU 84 HG LEU 84 6.887 -5.464 -0.854 688 HD11 LEU 84 1HD1 LEU 84 4.914 -6.690 -0.139 689 HD12 LEU 84 2HD1 LEU 84 4.851 -5.037 0.459 690 HD13 LEU 84 3HD1 LEU 84 5.266 -6.359 1.558 691 HD21 LEU 84 1HD2 LEU 84 6.946 -3.778 0.912 692 HD22 LEU 84 2HD2 LEU 84 8.519 -4.555 0.773 693 HD23 LEU 84 3HD2 LEU 84 7.440 -4.986 2.098 694 H ASN 85 H ASN 85 9.667 -5.179 -1.668 695 HA ASN 85 HA ASN 85 12.436 -5.355 -1.184 696 HB2 ASN 85 2HB ASN 85 11.493 -3.728 -2.857 697 HB3 ASN 85 1HB ASN 85 10.927 -2.703 -1.530 698 HD21 ASN 85 1HD2 ASN 85 12.210 -0.937 -2.074 699 HD22 ASN 85 2HD2 ASN 85 13.933 -0.938 -1.995 700 H HIS 86 H HIS 86 9.959 -4.152 0.977 701 HA HIS 86 HA HIS 86 9.882 -4.082 3.237 702 HB2 HIS 86 2HB HIS 86 11.460 -5.987 3.251 703 HB3 HIS 86 1HB HIS 86 12.828 -4.893 3.146 704 HD1 HIS 86 HD1 HIS 86 10.249 -6.189 5.573 705 HD2 HIS 86 HD2 HIS 86 13.667 -3.821 5.603 706 HE1 HIS 86 HE1 HIS 86 10.869 -5.921 7.987 707 HE2 HIS 86 HE2 HIS 86 12.949 -4.515 7.985 708 H ASP 87 H ASP 87 11.554 -1.976 1.345 709 HA ASP 87 HA ASP 87 12.672 -0.224 3.332 710 HB2 ASP 87 2HB ASP 87 13.657 -0.329 1.066 711 HB3 ASP 87 1HB ASP 87 12.183 0.288 0.340 712 H LEU 88 H LEU 88 9.447 -0.764 2.325 713 HA LEU 88 HA LEU 88 8.589 1.574 3.888 714 HB2 LEU 88 2HB LEU 88 6.483 1.693 2.528 715 HB3 LEU 88 1HB LEU 88 7.913 2.262 1.702 716 HG LEU 88 HG LEU 88 7.110 -0.602 1.174 717 HD11 LEU 88 1HD1 LEU 88 4.945 0.565 1.088 718 HD12 LEU 88 2HD1 LEU 88 5.456 0.036 -0.510 719 HD13 LEU 88 3HD1 LEU 88 5.608 1.732 -0.055 720 HD21 LEU 88 1HD2 LEU 88 7.947 -0.089 -1.057 721 HD22 LEU 88 2HD2 LEU 88 9.133 0.412 0.141 722 HD23 LEU 88 3HD2 LEU 88 8.116 1.617 -0.644 723 H SER 89 H SER 89 9.201 -0.974 4.829 724 HA SER 89 HA SER 89 6.978 -2.721 4.967 725 HB2 SER 89 2HB SER 89 9.450 -3.261 5.446 726 HB3 SER 89 1HB SER 89 9.174 -2.608 7.063 727 HG SER 89 HG SER 89 7.529 -4.188 7.332 728 H GLU 90 H GLU 90 7.678 0.213 6.584 729 HA GLU 90 HA GLU 90 6.121 -0.107 8.976 730 HB2 GLU 90 2HB GLU 90 7.084 2.397 7.519 731 HB3 GLU 90 1HB GLU 90 6.234 2.447 9.058 732 HG2 GLU 90 2HG GLU 90 8.105 1.255 10.146 733 HG3 GLU 90 1HG GLU 90 8.955 1.146 8.607 734 H LEU 91 H LEU 91 5.353 0.762 5.648 735 HA LEU 91 HA LEU 91 2.719 1.798 6.103 736 HB2 LEU 91 2HB LEU 91 4.298 1.773 3.923 737 HB3 LEU 91 1HB LEU 91 3.422 0.309 3.540 738 HG LEU 91 HG LEU 91 2.197 3.083 3.904 739 HD11 LEU 91 1HD1 LEU 91 2.682 1.497 1.363 740 HD12 LEU 91 2HD1 LEU 91 3.525 2.962 1.877 741 HD13 LEU 91 3HD1 LEU 91 1.815 3.031 1.478 742 HD21 LEU 91 1HD2 LEU 91 0.098 2.138 3.028 743 HD22 LEU 91 2HD2 LEU 91 0.563 1.402 4.558 744 HD23 LEU 91 3HD2 LEU 91 0.810 0.521 3.050 745 H TYR 92 H TYR 92 4.054 -1.415 5.391 746 HA TYR 92 HA TYR 92 1.626 -2.832 5.287 747 HB2 TYR 92 2HB TYR 92 3.659 -3.746 4.279 748 HB3 TYR 92 1HB TYR 92 4.419 -3.857 5.864 749 HD1 TYR 92 HD1 TYR 92 4.660 -6.119 6.463 750 HD2 TYR 92 HD2 TYR 92 1.030 -4.920 4.553 751 HE1 TYR 92 HE1 TYR 92 3.756 -8.379 6.739 752 HE2 TYR 92 HE2 TYR 92 0.138 -7.174 4.813 753 HH TYR 92 HH TYR 92 1.612 -9.517 6.817 754 H LYS 93 H LYS 93 3.899 -2.083 7.875 755 HA LYS 93 HA LYS 93 2.724 -3.575 9.989 756 HB2 LYS 93 2HB LYS 93 5.046 -2.776 10.129 757 HB3 LYS 93 1HB LYS 93 4.520 -1.098 10.031 758 HG2 LYS 93 2HG LYS 93 3.318 -1.401 12.218 759 HG3 LYS 93 1HG LYS 93 3.998 -3.027 12.326 760 HD2 LYS 93 2HD LYS 93 6.274 -2.110 12.428 761 HD3 LYS 93 1HD LYS 93 5.655 -0.475 12.162 762 HE2 LYS 93 2HE LYS 93 4.400 -0.635 14.318 763 HE3 LYS 93 1HE LYS 93 5.124 -2.222 14.591 764 HZ1 LYS 93 1HZ LYS 93 7.295 -1.211 14.645 765 HZ2 LYS 93 2HZ LYS 93 6.287 -0.435 15.758 766 HZ3 LYS 93 3HZ LYS 93 6.650 0.309 14.284 767 H PHE 94 H PHE 94 2.272 -0.311 8.737 768 HA PHE 94 HA PHE 94 0.778 0.822 10.824 769 HB2 PHE 94 2HB PHE 94 1.876 2.151 9.054 770 HB3 PHE 94 1HB PHE 94 0.790 1.493 7.846 771 HD1 PHE 94 HD1 PHE 94 -1.253 2.620 7.356 772 HD2 PHE 94 HD2 PHE 94 0.866 3.573 10.949 773 HE1 PHE 94 HE1 PHE 94 -2.773 4.505 7.766 774 HE2 PHE 94 HE2 PHE 94 -0.663 5.451 11.347 775 HZ PHE 94 HZ PHE 94 -2.479 5.927 9.756 776 H ILE 95 H ILE 95 -0.316 -0.743 7.779 777 HA ILE 95 HA ILE 95 -3.109 -0.473 8.428 778 HB ILE 95 HB ILE 95 -3.678 -1.539 6.403 779 HG12 ILE 95 2HG1 ILE 95 -1.001 -2.919 6.532 780 HG13 ILE 95 1HG1 ILE 95 -2.579 -3.579 6.186 781 HG21 ILE 95 1HG2 ILE 95 -2.417 -0.289 4.723 782 HG22 ILE 95 2HG2 ILE 95 -1.132 0.006 5.896 783 HG23 ILE 95 3HG2 ILE 95 -2.738 0.682 6.164 784 HD11 ILE 95 1HD1 ILE 95 -0.920 -1.947 4.261 785 HD12 ILE 95 2HD1 ILE 95 -2.519 -2.623 3.943 786 HD13 ILE 95 3HD1 ILE 95 -1.152 -3.695 4.239 787 H THR 96 H THR 96 -0.915 -2.530 9.822 788 HA THR 96 HA THR 96 -3.046 -4.491 10.510 789 HB THR 96 HB THR 96 -1.069 -5.979 11.264 790 HG1 THR 96 HG1 THR 96 0.304 -4.114 9.608 791 HG21 THR 96 1HG2 THR 96 -2.388 -6.506 9.228 792 HG22 THR 96 2HG2 THR 96 -0.685 -6.923 9.043 793 HG23 THR 96 3HG2 THR 96 -1.314 -5.469 8.289 794 H SER 97 H SER 97 -1.259 -1.849 11.722 795 HA SER 97 HA SER 97 -1.559 -2.821 14.520 796 HB2 SER 97 2HB SER 97 0.831 -2.857 13.854 797 HB3 SER 97 1HB SER 97 0.760 -1.135 13.486 798 HG SER 97 HG SER 97 1.408 -1.057 15.516 799 H SER 98 H SER 98 -0.564 0.370 13.168 800 HA SER 98 HA SER 98 -1.900 1.757 15.256 801 HB2 SER 98 2HB SER 98 0.139 2.642 14.197 802 HB3 SER 98 1HB SER 98 -0.716 2.839 12.672 803 HG SER 98 HG SER 98 -1.804 4.529 13.463 804 H LYS 99 H LYS 99 -4.055 1.718 15.368 805 HA LYS 99 HA LYS 99 -6.226 2.205 15.014 806 HB2 LYS 99 2HB LYS 99 -5.228 3.926 12.712 807 HB3 LYS 99 1HB LYS 99 -6.827 4.014 13.433 808 HG2 LYS 99 2HG LYS 99 -4.230 4.657 14.857 809 HG3 LYS 99 1HG LYS 99 -5.337 5.844 14.168 810 HD2 LYS 99 2HD LYS 99 -7.110 5.059 15.749 811 HD3 LYS 99 1HD LYS 99 -5.948 3.933 16.455 812 HE2 LYS 99 2HE LYS 99 -4.533 5.818 17.170 813 HE3 LYS 99 1HE LYS 99 -5.654 6.960 16.426 814 HZ1 LYS 99 1HZ LYS 99 -7.362 6.237 17.974 815 HZ2 LYS 99 2HZ LYS 99 -5.994 6.785 18.808 816 HZ3 LYS 99 3HZ LYS 99 -6.294 5.128 18.676 817 H ALA 100 H ALA 100 -5.005 -0.119 13.664 818 HA ALA 100 HA ALA 100 -7.002 -0.599 11.545 819 HB1 ALA 100 1HB ALA 100 -4.015 -1.006 11.205 820 HB2 ALA 100 2HB ALA 100 -5.012 0.192 10.386 821 HB3 ALA 100 3HB ALA 100 -5.256 -1.517 10.058 822 H SER 101 H SER 101 -8.057 -2.291 12.223 823 HA SER 101 HA SER 101 -6.640 -4.786 12.928 824 HB2 SER 101 2HB SER 101 -9.341 -3.929 14.059 825 HB3 SER 101 1HB SER 101 -8.415 -5.367 14.497 826 HG SER 101 HG SER 101 -6.863 -4.037 15.442 827 H ASN 102 H ASN 102 -8.556 -6.625 12.689 828 HA ASN 102 HA ASN 102 -8.582 -7.050 9.926 829 HB2 ASN 102 2HB ASN 102 -8.561 -8.823 11.715 830 HB3 ASN 102 1HB ASN 102 -10.259 -8.496 12.027 831 HD21 ASN 102 1HD2 ASN 102 -10.764 -10.655 11.533 832 HD22 ASN 102 2HD2 ASN 102 -10.787 -11.243 9.908 833 H LYS 103 H LYS 103 -9.884 -6.374 8.377 834 HA LYS 103 HA LYS 103 -11.585 -5.623 7.137 835 HB2 LYS 103 2HB LYS 103 -13.429 -6.744 9.290 836 HB3 LYS 103 1HB LYS 103 -13.918 -6.264 7.671 837 HG2 LYS 103 2HG LYS 103 -12.091 -8.566 8.400 838 HG3 LYS 103 1HG LYS 103 -13.745 -8.677 7.797 839 HD2 LYS 103 2HD LYS 103 -13.045 -7.747 5.630 840 HD3 LYS 103 1HD LYS 103 -11.398 -7.534 6.232 841 HE2 LYS 103 2HE LYS 103 -12.848 -10.160 5.781 842 HE3 LYS 103 1HE LYS 103 -11.467 -9.535 4.879 843 HZ1 LYS 103 1HZ LYS 103 -10.748 -11.185 6.454 844 HZ2 LYS 103 2HZ LYS 103 -11.481 -10.361 7.730 845 HZ3 LYS 103 3HZ LYS 103 -10.153 -9.677 6.938 846 H ASN 104 H ASN 104 -13.241 -4.984 10.241 847 HA ASN 104 HA ASN 104 -13.959 -2.329 9.236 848 HB2 ASN 104 2HB ASN 104 -15.622 -4.040 10.167 849 HB3 ASN 104 1HB ASN 104 -14.932 -3.757 11.759 850 HD21 ASN 104 1HD2 ASN 104 -15.387 -1.771 12.804 851 HD22 ASN 104 2HD2 ASN 104 -16.678 -0.743 12.287 852 H LEU 105 H LEU 105 -11.194 -2.975 10.364 853 HA LEU 105 HA LEU 105 -9.520 -1.979 11.497 854 HB2 LEU 105 2HB LEU 105 -11.370 0.451 11.513 855 HB3 LEU 105 1HB LEU 105 -9.673 0.479 11.931 856 HG LEU 105 HG LEU 105 -9.189 -0.255 9.497 857 HD11 LEU 105 1HD1 LEU 105 -10.927 0.372 7.818 858 HD12 LEU 105 2HD1 LEU 105 -12.090 0.530 9.132 859 HD13 LEU 105 3HD1 LEU 105 -11.358 -1.035 8.787 860 HD21 LEU 105 1HD2 LEU 105 -9.404 2.058 8.628 861 HD22 LEU 105 2HD2 LEU 105 -8.735 2.011 10.251 862 HD23 LEU 105 3HD2 LEU 105 -10.417 2.477 10.007 863 H GLY 106 H GLY 106 -11.728 -3.317 13.076 864 HA2 GLY 106 2HA GLY 106 -10.876 -2.480 15.753 865 HA3 GLY 106 1HA GLY 106 -12.590 -2.295 15.390 866 H GLY 107 H GLY 107 -10.155 -4.452 16.394 867 HA2 GLY 107 2HA GLY 107 -10.392 -6.520 17.399 868 HA3 GLY 107 1HA GLY 107 -12.063 -6.590 16.870 869 H GLY 108 H GLY 108 -11.146 -8.897 16.613 870 HA2 GLY 108 2HA GLY 108 -11.189 -10.474 14.835 871 HA3 GLY 108 1HA GLY 108 -10.397 -9.318 13.774 872 H LEU 109 H LEU 109 -9.965 -11.919 15.929 873 HA LEU 109 HA LEU 109 -7.178 -11.532 16.553 874 HB2 LEU 109 2HB LEU 109 -8.902 -14.034 16.773 875 HB3 LEU 109 1HB LEU 109 -7.256 -13.898 17.364 876 HG LEU 109 HG LEU 109 -8.115 -11.997 18.898 877 HD11 LEU 109 1HD1 LEU 109 -10.249 -11.534 17.841 878 HD12 LEU 109 2HD1 LEU 109 -10.478 -12.026 19.515 879 HD13 LEU 109 3HD1 LEU 109 -10.823 -13.164 18.211 880 HD21 LEU 109 1HD2 LEU 109 -7.462 -14.177 19.766 881 HD22 LEU 109 2HD2 LEU 109 -9.061 -14.836 19.412 882 HD23 LEU 109 3HD2 LEU 109 -8.873 -13.572 20.629 883 H ILE 110 H ILE 110 -8.998 -13.067 14.008 884 HA ILE 110 HA ILE 110 -6.664 -14.429 12.857 885 HB ILE 110 HB ILE 110 -8.195 -15.468 11.290 886 HG12 ILE 110 2HG1 ILE 110 -10.335 -13.515 12.302 887 HG13 ILE 110 1HG1 ILE 110 -9.620 -13.537 10.699 888 HG21 ILE 110 1HG2 ILE 110 -9.502 -15.423 14.048 889 HG22 ILE 110 2HG2 ILE 110 -8.232 -16.527 13.511 890 HG23 ILE 110 3HG2 ILE 110 -9.834 -16.615 12.791 891 HD11 ILE 110 1HD1 ILE 110 -11.430 -15.671 11.842 892 HD12 ILE 110 2HD1 ILE 110 -10.739 -15.662 10.216 893 HD13 ILE 110 3HD1 ILE 110 -11.888 -14.414 10.692 894 H MET 111 H MET 111 -6.143 -14.149 10.604 895 HA MET 111 HA MET 111 -6.462 -11.382 9.591 896 HB2 MET 111 2HB MET 111 -4.320 -11.751 8.396 897 HB3 MET 111 1HB MET 111 -4.135 -11.917 10.132 898 HG2 MET 111 2HG MET 111 -4.122 -14.367 9.902 899 HG3 MET 111 1HG MET 111 -4.300 -14.200 8.149 900 HE1 MET 111 1HE MET 111 -0.534 -15.355 8.722 901 HE2 MET 111 2HE MET 111 -2.107 -15.835 8.085 902 HE3 MET 111 3HE MET 111 -1.848 -15.753 9.828 903 H SER 112 H SER 112 -6.533 -11.174 7.222 904 HA SER 112 HA SER 112 -8.680 -12.729 6.188 905 HB2 SER 112 2HB SER 112 -6.918 -10.709 4.737 906 HB3 SER 112 1HB SER 112 -8.540 -11.228 4.262 907 HG SER 112 HG SER 112 -8.194 -9.175 5.561 908 H TRP 113 H TRP 113 -5.244 -12.974 5.850 909 HA TRP 113 HA TRP 113 -5.068 -14.436 3.417 910 HB2 TRP 113 2HB TRP 113 -3.155 -13.206 4.475 911 HB3 TRP 113 1HB TRP 113 -3.129 -14.385 5.775 912 HD1 TRP 113 HD1 TRP 113 -2.432 -14.178 1.960 913 HE1 TRP 113 HE1 TRP 113 -0.712 -15.982 1.354 914 HE3 TRP 113 HE3 TRP 113 -2.089 -16.538 6.480 915 HZ2 TRP 113 HZ2 TRP 113 0.626 -18.107 2.610 916 HZ3 TRP 113 HZ3 TRP 113 -0.557 -18.448 6.703 917 HH2 TRP 113 HH2 TRP 113 0.777 -19.221 4.801 918 H GLY 114 H GLY 114 -6.476 -16.168 3.365 919 HA2 GLY 114 2HA GLY 114 -6.539 -18.163 5.538 920 HA3 GLY 114 1HA GLY 114 -7.672 -18.026 4.200 921 H ARG 115 H ARG 115 -5.061 -17.732 2.478 922 HA ARG 115 HA ARG 115 -4.889 -20.523 1.719 923 HB2 ARG 115 2HB ARG 115 -3.511 -18.026 0.629 924 HB3 ARG 115 1HB ARG 115 -3.288 -19.636 -0.052 925 HG2 ARG 115 2HG ARG 115 -5.717 -19.741 -0.569 926 HG3 ARG 115 1HG ARG 115 -5.910 -18.103 0.067 927 HD2 ARG 115 2HD ARG 115 -5.766 -18.075 -2.381 928 HD3 ARG 115 1HD ARG 115 -4.375 -17.247 -1.671 929 HE ARG 115 HE ARG 115 -3.688 -19.941 -2.118 930 HH11 ARG 115 1HH1 ARG 115 -4.361 -17.062 -4.036 931 HH12 ARG 115 2HH1 ARG 115 -3.364 -17.569 -5.359 932 HH21 ARG 115 1HH2 ARG 115 -2.381 -20.585 -3.853 933 HH22 ARG 115 2HH2 ARG 115 -2.240 -19.567 -5.254 934 H LEU 116 H LEU 116 -2.362 -21.022 0.970 935 HA LEU 116 HA LEU 116 -0.641 -20.720 3.346 936 HB2 LEU 116 2HB LEU 116 -2.033 -22.853 3.468 937 HB3 LEU 116 1HB LEU 116 -1.221 -23.396 2.009 938 HG LEU 116 HG LEU 116 0.976 -23.255 3.265 939 HD11 LEU 116 1HD1 LEU 116 0.951 -23.152 5.712 940 HD12 LEU 116 2HD1 LEU 116 -0.781 -22.810 5.696 941 HD13 LEU 116 3HD1 LEU 116 0.357 -21.656 4.994 942 HD21 LEU 116 1HD2 LEU 116 -0.159 -25.404 2.945 943 HD22 LEU 116 2HD2 LEU 116 -1.093 -25.158 4.423 944 HD23 LEU 116 3HD2 LEU 116 0.660 -25.352 4.504 945 H PHE 117 H PHE 117 1.237 -19.948 2.650 946 HA PHE 117 HA PHE 117 2.320 -20.681 -0.011 947 HB2 PHE 117 2HB PHE 117 2.370 -18.018 1.473 948 HB3 PHE 117 1HB PHE 117 3.549 -18.379 0.216 949 HD1 PHE 117 HD1 PHE 117 2.978 -18.184 -2.092 950 HD2 PHE 117 HD2 PHE 117 -0.114 -17.993 0.856 951 HE1 PHE 117 HE1 PHE 117 1.368 -17.478 -3.810 952 HE2 PHE 117 HE2 PHE 117 -1.715 -17.283 -0.873 953 HZ PHE 117 HZ PHE 117 -0.974 -17.027 -3.205
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