NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26625 | 2npu | 6760 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET2014 H MET2014 2.243 -17.606 -10.555 2 HA MET2014 HA MET2014 0.443 -16.064 -12.188 3 HB2 MET2014 1HB MET2014 2.755 -17.572 -13.199 4 HB3 MET2014 2HB MET2014 1.247 -18.203 -13.882 5 HG2 MET2014 1HG MET2014 0.746 -16.180 -14.960 6 HG3 MET2014 2HG MET2014 1.694 -15.213 -13.828 7 HE1 MET2014 3HE MET2014 4.590 -14.662 -14.566 8 HE2 MET2014 1HE MET2014 4.061 -15.875 -13.375 9 HE3 MET2014 2HE MET2014 5.265 -16.308 -14.611 10 H GLU2015 H GLU2015 -0.951 -16.935 -10.401 11 HA GLU2015 HA GLU2015 -1.548 -19.752 -10.868 12 HB2 GLU2015 1HB GLU2015 -2.033 -18.042 -8.398 13 HB3 GLU2015 2HB GLU2015 -2.526 -19.736 -8.562 14 HG2 GLU2015 1HG GLU2015 -0.497 -20.210 -7.663 15 HG3 GLU2015 2HG GLU2015 0.157 -19.834 -9.265 16 HE2 GLU2015 HE GLU2015 1.394 -17.733 -6.317 17 H LEU2016 H LEU2016 -2.689 -16.444 -10.994 18 HA LEU2016 HA LEU2016 -4.588 -15.528 -11.645 19 HB2 LEU2016 1HB LEU2016 -4.557 -18.134 -13.015 20 HB3 LEU2016 2HB LEU2016 -6.131 -17.321 -12.952 21 HG LEU2016 HG LEU2016 -4.776 -16.905 -15.018 22 HD11 LEU2016 1HD1 LEU2016 -6.131 -14.963 -13.329 23 HD12 LEU2016 2HD1 LEU2016 -4.940 -14.197 -14.407 24 HD13 LEU2016 3HD1 LEU2016 -6.227 -15.221 -15.088 25 HD21 LEU2016 3HD2 LEU2016 -3.079 -14.851 -13.874 26 HD22 LEU2016 1HD2 LEU2016 -2.696 -16.456 -13.208 27 HD23 LEU2016 2HD2 LEU2016 -2.671 -16.195 -14.969 28 H ILE2017 H ILE2017 -4.292 -17.275 -9.064 29 HA ILE2017 HA ILE2017 -7.149 -17.673 -8.572 30 HB ILE2017 HB ILE2017 -4.638 -18.816 -7.425 31 HG12 ILE2017 1HG1 ILE2017 -6.943 -20.547 -7.659 32 HG13 ILE2017 2HG1 ILE2017 -6.626 -19.710 -9.189 33 HG21 ILE2017 1HG2 ILE2017 -6.298 -19.849 -5.670 34 HG22 ILE2017 2HG2 ILE2017 -5.518 -18.276 -5.376 35 HG23 ILE2017 3HG2 ILE2017 -7.200 -18.341 -5.953 36 HD11 ILE2017 3HD1 ILE2017 -5.382 -21.872 -8.999 37 HD12 ILE2017 1HD1 ILE2017 -4.284 -20.479 -9.145 38 HD13 ILE2017 2HD1 ILE2017 -4.547 -21.243 -7.557 39 H ARG2018 H ARG2018 -8.217 -16.614 -6.866 40 HA ARG2018 HA ARG2018 -6.610 -14.619 -5.505 41 HB2 ARG2018 1HB ARG2018 -8.365 -13.989 -7.567 42 HB3 ARG2018 2HB ARG2018 -9.372 -13.730 -6.134 43 HG2 ARG2018 1HG ARG2018 -8.255 -11.842 -5.599 44 HG3 ARG2018 2HG ARG2018 -6.677 -12.630 -5.773 45 HD2 ARG2018 1HD ARG2018 -6.602 -10.995 -7.451 46 HD3 ARG2018 2HD ARG2018 -7.163 -12.405 -8.363 47 HE ARG2018 HE ARG2018 -8.820 -10.082 -7.493 48 HH11 ARG2018 2HH2 ARG2018 -8.577 -13.136 -9.271 49 HH12 ARG2018 1HH2 ARG2018 -10.061 -12.897 -10.132 50 H VAL2019 H VAL2019 -7.170 -14.342 -3.309 51 HA VAL2019 HA VAL2019 -9.369 -16.052 -2.389 52 HB VAL2019 HB VAL2019 -6.814 -15.112 -1.084 53 HG11 VAL2019 1HG1 VAL2019 -8.831 -16.902 0.267 54 HG12 VAL2019 2HG1 VAL2019 -7.480 -15.988 0.979 55 HG13 VAL2019 3HG1 VAL2019 -8.934 -15.131 0.410 56 HG21 VAL2019 3HG2 VAL2019 -7.850 -17.902 -1.690 57 HG22 VAL2019 1HG2 VAL2019 -6.626 -17.025 -2.641 58 HG23 VAL2019 2HG2 VAL2019 -6.282 -17.488 -0.957 59 HA PRO2020 HA PRO2020 -11.414 -12.447 -1.147 60 HB2 PRO2020 1HB PRO2020 -13.275 -13.525 0.536 61 HB3 PRO2020 2HB PRO2020 -13.458 -13.504 -1.216 62 HG2 PRO2020 1HG PRO2020 -12.710 -15.717 0.586 63 HG3 PRO2020 2HG PRO2020 -13.355 -15.805 -1.092 64 HD2 PRO2020 1HD PRO2020 -10.667 -16.220 -0.194 65 HD3 PRO2020 2HD PRO2020 -11.222 -16.160 -1.873 66 H ILE2021 H ILE2021 -10.974 -14.618 1.612 67 HA ILE2021 HA ILE2021 -10.329 -12.247 3.186 68 HB ILE2021 HB ILE2021 -10.618 -13.726 5.113 69 HG12 ILE2021 1HG1 ILE2021 -11.933 -15.955 4.085 70 HG13 ILE2021 2HG1 ILE2021 -10.482 -15.800 3.079 71 HG21 ILE2021 1HG2 ILE2021 -12.531 -12.524 3.697 72 HG22 ILE2021 2HG2 ILE2021 -13.081 -14.207 3.508 73 HG23 ILE2021 3HG2 ILE2021 -12.881 -13.512 5.136 74 HD11 ILE2021 3HD1 ILE2021 -10.754 -16.476 5.964 75 HD12 ILE2021 1HD1 ILE2021 -9.482 -16.929 4.803 76 HD13 ILE2021 2HD1 ILE2021 -9.446 -15.329 5.583 77 H LEU2022 H LEU2022 -8.226 -11.758 2.480 78 HA LEU2022 HA LEU2022 -6.218 -13.477 3.611 79 HB2 LEU2022 1HB LEU2022 -6.866 -14.132 1.118 80 HB3 LEU2022 2HB LEU2022 -5.724 -12.827 0.755 81 HG LEU2022 HG LEU2022 -4.237 -14.210 2.502 82 HD11 LEU2022 1HD1 LEU2022 -6.294 -15.858 2.600 83 HD12 LEU2022 2HD1 LEU2022 -5.551 -16.516 1.123 84 HD13 LEU2022 3HD1 LEU2022 -4.620 -16.464 2.638 85 HD21 LEU2022 3HD2 LEU2022 -4.563 -14.841 -0.443 86 HD22 LEU2022 1HD2 LEU2022 -3.522 -13.590 0.278 87 HD23 LEU2022 2HD2 LEU2022 -3.171 -15.313 0.561 88 H TRP2023 H TRP2023 -4.023 -12.193 2.193 89 HA TRP2023 HA TRP2023 -3.930 -9.803 3.719 90 HB2 TRP2023 1HB TRP2023 -2.123 -11.358 1.978 91 HB3 TRP2023 2HB TRP2023 -1.790 -9.627 2.082 92 HD1 TRP2023 HD TRP2023 -3.185 -11.009 5.298 93 HE1 TRP2023 1HE TRP2023 -1.339 -11.289 7.164 94 HE3 TRP2023 3HE TRP2023 0.788 -10.280 2.212 95 HZ2 TRP2023 2HZ TRP2023 1.512 -11.175 7.139 96 HZ3 TRP2023 3HZ TRP2023 3.069 -10.379 3.213 97 HH2 TRP2023 HH TRP2023 3.465 -10.808 5.585 98 H HIS2024 H HIS2024 -4.017 -10.581 0.166 99 HA HIS2024 HA HIS2024 -4.017 -8.055 -0.816 100 HB2 HIS2024 1HB HIS2024 -5.835 -10.152 -1.964 101 HB3 HIS2024 2HB HIS2024 -4.849 -8.952 -2.807 102 HD1 HIS2024 1HD HIS2024 -4.942 -12.371 -2.660 103 HD2 HIS2024 2HD HIS2024 -1.886 -9.659 -1.713 104 HE1 HIS2024 1HE HIS2024 -2.755 -13.678 -2.806 105 HE2 HIS2024 2HE HIS2024 -0.905 -11.962 -2.210 106 H GLU2025 H GLU2025 -6.484 -9.638 1.103 107 HA GLU2025 HA GLU2025 -8.622 -8.035 0.233 108 HB2 GLU2025 1HB GLU2025 -8.865 -10.245 1.355 109 HB3 GLU2025 2HB GLU2025 -8.283 -9.532 2.869 110 HG2 GLU2025 1HG GLU2025 -10.313 -7.793 2.042 111 HG3 GLU2025 2HG GLU2025 -10.945 -9.390 1.615 112 HE2 GLU2025 HE GLU2025 -10.399 -8.381 5.450 113 H MET2026 H MET2026 -6.047 -7.716 2.674 114 HA MET2026 HA MET2026 -7.311 -5.548 3.992 115 HB2 MET2026 1HB MET2026 -5.423 -5.622 5.403 116 HB3 MET2026 2HB MET2026 -5.437 -7.282 4.782 117 HG2 MET2026 1HG MET2026 -3.212 -6.711 4.407 118 HG3 MET2026 2HG MET2026 -3.909 -6.210 2.865 119 HE1 MET2026 3HE MET2026 -1.143 -3.625 3.823 120 HE2 MET2026 1HE MET2026 -1.211 -4.839 5.123 121 HE3 MET2026 2HE MET2026 -1.376 -5.343 3.424 122 H TRP2027 H TRP2027 -5.085 -5.968 1.258 123 HA TRP2027 HA TRP2027 -4.133 -3.300 1.231 124 HB2 TRP2027 1HB TRP2027 -4.203 -5.478 -0.853 125 HB3 TRP2027 2HB TRP2027 -3.444 -3.905 -1.107 126 HD1 TRP2027 HD TRP2027 -3.068 -6.976 1.273 127 HE1 TRP2027 1HE TRP2027 -0.563 -7.235 2.063 128 HE3 TRP2027 3HE TRP2027 -1.371 -2.738 -0.969 129 HZ2 TRP2027 2HZ TRP2027 1.793 -5.674 1.669 130 HZ3 TRP2027 3HZ TRP2027 1.044 -2.179 -0.717 131 HH2 TRP2027 HH TRP2027 2.609 -3.568 0.548 132 H HIS2028 H HIS2028 -6.683 -5.133 -0.597 133 HA HIS2028 HA HIS2028 -7.550 -2.984 -2.111 134 HB2 HIS2028 1HB HIS2028 -8.342 -5.696 -1.559 135 HB3 HIS2028 2HB HIS2028 -9.772 -4.656 -1.612 136 HD1 HIS2028 1HD HIS2028 -10.461 -3.696 -3.903 137 HD2 HIS2028 2HD HIS2028 -6.876 -5.872 -4.000 138 HE1 HIS2028 1HE HIS2028 -9.898 -4.035 -6.368 139 HE2 HIS2028 2HE HIS2028 -7.680 -5.383 -6.373 140 H GLU2029 H GLU2029 -9.002 -4.353 0.933 141 HA GLU2029 HA GLU2029 -10.820 -2.270 1.195 142 HB2 GLU2029 1HB GLU2029 -11.232 -3.159 3.417 143 HB3 GLU2029 2HB GLU2029 -10.996 -4.515 2.299 144 HG2 GLU2029 1HG GLU2029 -9.577 -5.225 3.954 145 HG3 GLU2029 2HG GLU2029 -8.430 -4.162 3.126 146 HE2 GLU2029 HE GLU2029 -8.110 -2.156 5.860 147 H GLY2030 H GLY2030 -7.445 -2.716 2.289 148 HA2 GLY2030 2HA GLY2030 -7.306 -0.662 4.178 149 HA3 GLY2030 3HA GLY2030 -5.974 -1.310 3.240 150 H LEU2031 H LEU2031 -6.111 -0.594 0.738 151 HA LEU2031 HA LEU2031 -5.735 2.173 0.738 152 HB2 LEU2031 1HB LEU2031 -4.960 0.159 -0.815 153 HB3 LEU2031 2HB LEU2031 -6.300 0.757 -1.810 154 HG LEU2031 HG LEU2031 -5.251 2.972 -1.884 155 HD11 LEU2031 1HD1 LEU2031 -2.659 2.729 -1.078 156 HD12 LEU2031 2HD1 LEU2031 -3.959 3.486 -0.124 157 HD13 LEU2031 3HD1 LEU2031 -3.506 1.790 0.174 158 HD21 LEU2031 3HD2 LEU2031 -2.899 1.704 -2.821 159 HD22 LEU2031 1HD2 LEU2031 -4.247 0.572 -3.088 160 HD23 LEU2031 2HD2 LEU2031 -4.324 2.222 -3.753 161 H GLU2032 H GLU2032 -8.552 0.101 0.024 162 HA GLU2032 HA GLU2032 -10.078 1.896 -1.341 163 HB2 GLU2032 1HB GLU2032 -10.560 -0.491 0.355 164 HB3 GLU2032 2HB GLU2032 -11.965 0.569 0.144 165 HG2 GLU2032 1HG GLU2032 -10.684 0.294 -2.405 166 HG3 GLU2032 2HG GLU2032 -10.826 -1.330 -1.715 167 HE2 GLU2032 HE GLU2032 -13.903 -0.161 -3.488 168 H GLU2033 H GLU2033 -9.679 1.479 2.228 169 HA GLU2033 HA GLU2033 -11.556 3.493 2.822 170 HB2 GLU2033 1HB GLU2033 -10.540 1.489 4.252 171 HB3 GLU2033 2HB GLU2033 -9.386 2.732 4.767 172 HG2 GLU2033 1HG GLU2033 -11.035 4.007 5.815 173 HG3 GLU2033 2HG GLU2033 -12.337 3.376 4.796 174 HE2 GLU2033 HE GLU2033 -12.281 1.905 8.224 175 H ALA2034 H ALA2034 -7.931 3.333 2.801 176 HA ALA2034 HA ALA2034 -7.412 5.883 3.674 177 HB1 ALA2034 3HB ALA2034 -5.557 4.490 3.485 178 HB2 ALA2034 1HB ALA2034 -6.025 3.907 1.871 179 HB3 ALA2034 2HB ALA2034 -5.344 5.542 2.064 180 H SER2035 H SER2035 -8.013 4.711 0.295 181 HA SER2035 HA SER2035 -7.706 7.221 -0.850 182 HB2 SER2035 1HB SER2035 -8.021 4.671 -1.776 183 HB3 SER2035 2HB SER2035 -9.614 5.345 -2.160 184 HG SER2035 HG SER2035 -8.020 7.223 -2.981 185 H ARG2036 H ARG2036 -10.660 5.348 0.137 186 HA ARG2036 HA ARG2036 -12.536 7.102 -0.679 187 HB2 ARG2036 1HB ARG2036 -12.906 4.834 0.365 188 HB3 ARG2036 2HB ARG2036 -12.601 5.549 1.957 189 HG2 ARG2036 1HG ARG2036 -14.613 6.967 0.289 190 HG3 ARG2036 2HG ARG2036 -15.085 5.333 0.790 191 HD2 ARG2036 1HD ARG2036 -14.803 5.895 3.125 192 HD3 ARG2036 2HD ARG2036 -14.030 7.439 2.732 193 HE ARG2036 HE ARG2036 -16.159 8.349 2.201 194 HH11 ARG2036 2HH2 ARG2036 -16.422 4.884 2.894 195 HH12 ARG2036 1HH2 ARG2036 -18.149 4.914 3.019 196 H LEU2037 H LEU2037 -10.752 7.048 2.481 197 HA LEU2037 HA LEU2037 -12.071 9.361 3.464 198 HB2 LEU2037 1HB LEU2037 -10.560 9.213 5.291 199 HB3 LEU2037 2HB LEU2037 -11.146 7.589 4.887 200 HG LEU2037 HG LEU2037 -8.957 7.276 3.625 201 HD11 LEU2037 1HD1 LEU2037 -7.586 8.998 3.369 202 HD12 LEU2037 2HD1 LEU2037 -8.644 10.025 4.368 203 HD13 LEU2037 3HD1 LEU2037 -7.356 9.062 5.134 204 HD21 LEU2037 3HD2 LEU2037 -7.667 6.842 5.736 205 HD22 LEU2037 1HD2 LEU2037 -8.997 7.613 6.631 206 HD23 LEU2037 2HD2 LEU2037 -9.299 6.134 5.689 207 H TYR2038 H TYR2038 -8.963 8.687 1.777 208 HA TYR2038 HA TYR2038 -7.780 11.150 2.037 209 HB2 TYR2038 1HB TYR2038 -6.729 9.167 1.014 210 HB3 TYR2038 2HB TYR2038 -7.989 9.073 -0.223 211 HD1 TYR2038 2HD TYR2038 -5.810 11.887 0.986 212 HD2 TYR2038 1HD TYR2038 -7.037 9.445 -2.307 213 HE1 TYR2038 2HE TYR2038 -4.357 13.260 -0.584 214 HE2 TYR2038 1HE TYR2038 -5.579 10.827 -3.865 215 HH TYR2038 HH TYR2038 -4.678 13.562 -3.531 216 H PHE2039 H PHE2039 -9.923 10.025 -0.682 217 HA PHE2039 HA PHE2039 -9.994 12.597 -1.851 218 HB2 PHE2039 1HB PHE2039 -11.525 9.962 -2.034 219 HB3 PHE2039 2HB PHE2039 -12.068 11.347 -2.985 220 HD1 PHE2039 1HD PHE2039 -9.019 9.307 -2.314 221 HD2 PHE2039 2HD PHE2039 -11.181 11.668 -5.101 222 HE1 PHE2039 1HE PHE2039 -7.362 8.713 -4.103 223 HE2 PHE2039 2HE PHE2039 -9.524 11.073 -6.889 224 HZ PHE2039 HZ PHE2039 -7.635 9.603 -6.370 225 H GLY2040 H GLY2040 -11.892 10.925 0.640 226 HA2 GLY2040 2HA GLY2040 -14.309 12.169 0.586 227 HA3 GLY2040 3HA GLY2040 -13.456 11.725 2.052 228 H GLU2041 H GLU2041 -11.601 13.342 2.711 229 HA GLU2041 HA GLU2041 -12.463 16.041 2.041 230 HB2 GLU2041 1HB GLU2041 -11.992 16.639 4.469 231 HB3 GLU2041 2HB GLU2041 -13.441 15.655 4.197 232 HG2 GLU2041 1HG GLU2041 -11.861 13.623 4.624 233 HG3 GLU2041 2HG GLU2041 -10.747 14.811 5.317 234 HE2 GLU2041 HE GLU2041 -14.138 13.853 7.212 235 H ARG2042 H ARG2042 -10.391 14.860 0.677 236 HA ARG2042 HA ARG2042 -8.216 14.756 0.375 237 HB2 ARG2042 1HB ARG2042 -8.544 17.649 1.289 238 HB3 ARG2042 2HB ARG2042 -7.150 17.052 0.374 239 HG2 ARG2042 1HG ARG2042 -10.036 16.852 -0.578 240 HG3 ARG2042 2HG ARG2042 -8.949 18.178 -1.029 241 HD2 ARG2042 1HD ARG2042 -7.595 15.671 -1.484 242 HD3 ARG2042 2HD ARG2042 -9.196 15.579 -2.236 243 HE ARG2042 HE ARG2042 -8.573 17.303 -3.733 244 HH11 ARG2042 2HH2 ARG2042 -6.082 16.881 -1.249 245 HH12 ARG2042 1HH2 ARG2042 -4.916 17.861 -2.076 246 H ASN2043 H ASN2043 -8.835 13.776 3.007 247 HA ASN2043 HA ASN2043 -6.740 14.948 4.635 248 HB2 ASN2043 1HB ASN2043 -9.278 13.465 5.157 249 HB3 ASN2043 2HB ASN2043 -7.942 13.054 6.243 250 HD21 ASN2043 1HD2 ASN2043 -8.344 16.150 4.648 251 HD22 ASN2043 2HD2 ASN2043 -8.700 17.103 6.049 252 H VAL2044 H VAL2044 -4.830 13.922 3.838 253 HA VAL2044 HA VAL2044 -4.830 11.155 3.157 254 HB VAL2044 HB VAL2044 -2.583 11.493 2.576 255 HG11 VAL2044 1HG1 VAL2044 -4.584 13.268 1.704 256 HG12 VAL2044 2HG1 VAL2044 -3.130 14.268 1.941 257 HG13 VAL2044 3HG1 VAL2044 -3.067 12.849 0.871 258 HG21 VAL2044 3HG2 VAL2044 -1.891 12.496 4.759 259 HG22 VAL2044 1HG2 VAL2044 -1.176 13.300 3.340 260 HG23 VAL2044 2HG2 VAL2044 -2.537 14.057 4.200 261 H LYS2045 H LYS2045 -4.693 12.947 6.097 262 HA LYS2045 HA LYS2045 -2.901 11.570 7.631 263 HB2 LYS2045 1HB LYS2045 -4.740 12.065 9.464 264 HB3 LYS2045 2HB LYS2045 -3.779 13.362 8.733 265 HG2 LYS2045 1HG LYS2045 -6.248 12.619 7.253 266 HG3 LYS2045 2HG LYS2045 -6.531 13.327 8.853 267 HD2 LYS2045 1HD LYS2045 -4.523 14.654 7.059 268 HD3 LYS2045 2HD LYS2045 -6.235 14.838 6.640 269 HE2 LYS2045 1HE LYS2045 -6.579 16.291 8.342 270 HE3 LYS2045 2HE LYS2045 -5.751 15.250 9.511 271 HZ1 LYS2045 2HZ LYS2045 -3.728 16.228 7.980 272 HZ3 LYS2045 1HZ LYS2045 -4.164 16.838 9.426 273 H GLY2046 H GLY2046 -6.366 10.735 6.965 274 HA2 GLY2046 2HA GLY2046 -6.536 8.443 8.500 275 HA3 GLY2046 3HA GLY2046 -7.438 8.761 7.030 276 H MET2047 H MET2047 -5.482 8.808 5.038 277 HA MET2047 HA MET2047 -5.155 6.165 4.494 278 HB2 MET2047 1HB MET2047 -4.956 7.755 2.717 279 HB3 MET2047 2HB MET2047 -3.724 8.698 3.574 280 HG2 MET2047 1HG MET2047 -2.229 6.595 3.371 281 HG3 MET2047 2HG MET2047 -3.419 5.986 2.217 282 HE1 MET2047 3HE MET2047 -0.666 8.555 3.026 283 HE2 MET2047 1HE MET2047 -0.831 9.768 1.734 284 HE3 MET2047 2HE MET2047 -2.086 9.628 2.989 285 H PHE2048 H PHE2048 -2.744 8.479 5.900 286 HA PHE2048 HA PHE2048 -0.625 6.690 6.013 287 HB2 PHE2048 1HB PHE2048 -1.579 9.186 7.460 288 HB3 PHE2048 2HB PHE2048 -0.154 8.361 8.101 289 HD1 PHE2048 2HD PHE2048 1.796 7.985 6.473 290 HD2 PHE2048 1HD PHE2048 -1.379 10.693 5.706 291 HE1 PHE2048 2HE PHE2048 3.229 9.187 4.798 292 HE2 PHE2048 1HE PHE2048 0.053 11.897 4.031 293 HZ PHE2048 HZ PHE2048 2.338 11.130 3.597 294 H GLU2049 H GLU2049 -3.334 7.332 8.297 295 HA GLU2049 HA GLU2049 -2.209 5.667 10.293 296 HB2 GLU2049 1HB GLU2049 -5.044 6.726 9.973 297 HB3 GLU2049 2HB GLU2049 -4.376 6.017 11.452 298 HG2 GLU2049 1HG GLU2049 -2.774 7.826 11.665 299 HG3 GLU2049 2HG GLU2049 -3.193 8.468 10.070 300 HE2 GLU2049 HE GLU2049 -5.402 10.556 11.629 301 H VAL2050 H VAL2050 -3.849 5.109 7.327 302 HA VAL2050 HA VAL2050 -5.147 2.681 8.200 303 HB VAL2050 HB VAL2050 -4.872 4.162 5.592 304 HG11 VAL2050 1HG1 VAL2050 -6.483 2.401 4.687 305 HG12 VAL2050 2HG1 VAL2050 -4.781 1.910 4.866 306 HG13 VAL2050 3HG1 VAL2050 -5.989 1.390 6.065 307 HG21 VAL2050 3HG2 VAL2050 -6.610 4.490 7.688 308 HG22 VAL2050 1HG2 VAL2050 -6.940 4.956 6.001 309 HG23 VAL2050 2HG2 VAL2050 -7.525 3.395 6.623 310 H LEU2051 H LEU2051 -2.301 3.708 6.225 311 HA LEU2051 HA LEU2051 -1.554 0.998 5.705 312 HB2 LEU2051 1HB LEU2051 -0.107 3.613 5.310 313 HB3 LEU2051 2HB LEU2051 0.455 2.039 4.721 314 HG LEU2051 HG LEU2051 -0.875 2.123 2.923 315 HD11 LEU2051 1HD1 LEU2051 -3.125 3.440 4.460 316 HD12 LEU2051 2HD1 LEU2051 -3.213 2.569 2.909 317 HD13 LEU2051 3HD1 LEU2051 -2.854 1.681 4.409 318 HD21 LEU2051 3HD2 LEU2051 -0.208 4.153 2.261 319 HD22 LEU2051 1HD2 LEU2051 -1.857 4.670 2.688 320 HD23 LEU2051 2HD2 LEU2051 -0.525 4.887 3.851 321 H GLU2052 H GLU2052 -0.497 3.644 7.925 322 HA GLU2052 HA GLU2052 1.703 2.714 8.993 323 HB2 GLU2052 1HB GLU2052 -0.556 4.270 9.949 324 HB3 GLU2052 2HB GLU2052 0.159 3.351 11.285 325 HG2 GLU2052 1HG GLU2052 1.938 4.857 9.365 326 HG3 GLU2052 2HG GLU2052 1.107 5.744 10.651 327 HE2 GLU2052 HE GLU2052 3.849 4.950 12.568 328 HA PRO2053 HA PRO2053 -0.548 -0.523 11.621 329 HB2 PRO2053 1HB PRO2053 -3.227 -0.947 11.290 330 HB3 PRO2053 2HB PRO2053 -2.565 0.102 12.541 331 HG2 PRO2053 1HG PRO2053 -3.860 0.789 9.981 332 HG3 PRO2053 2HG PRO2053 -3.634 1.822 11.438 333 HD2 PRO2053 1HD PRO2053 -2.206 1.902 8.958 334 HD3 PRO2053 2HD PRO2053 -1.839 2.831 10.416 335 H LEU2054 H LEU2054 -2.340 -0.414 8.577 336 HA LEU2054 HA LEU2054 -2.419 -3.101 8.108 337 HB2 LEU2054 1HB LEU2054 -2.263 -0.698 6.334 338 HB3 LEU2054 2HB LEU2054 -2.296 -2.328 5.638 339 HG LEU2054 HG LEU2054 -4.413 -0.970 7.319 340 HD11 LEU2054 1HD1 LEU2054 -4.142 -0.521 4.794 341 HD12 LEU2054 2HD1 LEU2054 -4.763 -2.176 4.582 342 HD13 LEU2054 3HD1 LEU2054 -5.754 -0.953 5.413 343 HD21 LEU2054 3HD2 LEU2054 -5.648 -3.230 6.684 344 HD22 LEU2054 1HD2 LEU2054 -3.984 -3.863 6.729 345 HD23 LEU2054 2HD2 LEU2054 -4.674 -3.070 8.165 346 H HIS2055 H HIS2055 0.169 -0.795 7.014 347 HA HIS2055 HA HIS2055 1.801 -2.765 5.952 348 HB2 HIS2055 1HB HIS2055 2.298 0.014 6.995 349 HB3 HIS2055 2HB HIS2055 3.618 -0.978 6.367 350 HD1 HIS2055 1HD HIS2055 2.883 1.646 4.943 351 HD2 HIS2055 2HD HIS2055 1.259 -2.086 3.928 352 HE1 HIS2055 1HE HIS2055 2.087 1.846 2.527 353 HE2 HIS2055 2HE HIS2055 1.093 -0.480 1.950 354 H ALA2056 H ALA2056 1.850 -1.187 9.221 355 HA ALA2056 HA ALA2056 4.005 -2.518 10.263 356 HB1 ALA2056 3HB ALA2056 3.159 -0.803 11.585 357 HB2 ALA2056 1HB ALA2056 1.472 -1.332 11.381 358 HB3 ALA2056 2HB ALA2056 2.562 -2.232 12.463 359 H MET2057 H MET2057 0.521 -3.531 10.243 360 HA MET2057 HA MET2057 0.785 -5.826 11.656 361 HB2 MET2057 1HB MET2057 -1.413 -5.970 11.057 362 HB3 MET2057 2HB MET2057 -1.159 -4.552 10.024 363 HG2 MET2057 1HG MET2057 -0.533 -6.042 8.142 364 HG3 MET2057 2HG MET2057 -0.736 -7.460 9.175 365 HE1 MET2057 3HE MET2057 -3.176 -7.891 6.729 366 HE2 MET2057 1HE MET2057 -3.324 -6.172 6.288 367 HE3 MET2057 2HE MET2057 -1.715 -6.893 6.539 368 H MET2058 H MET2058 1.544 -5.217 8.200 369 HA MET2058 HA MET2058 1.918 -7.932 7.583 370 HB2 MET2058 1HB MET2058 2.772 -5.289 6.322 371 HB3 MET2058 2HB MET2058 3.187 -6.840 5.571 372 HG2 MET2058 1HG MET2058 0.320 -6.385 6.359 373 HG3 MET2058 2HG MET2058 0.924 -5.495 4.958 374 HE1 MET2058 3HE MET2058 -1.151 -8.373 3.514 375 HE2 MET2058 1HE MET2058 -1.241 -8.601 5.277 376 HE3 MET2058 2HE MET2058 -1.296 -6.960 4.588 377 H GLU2059 H GLU2059 3.946 -5.386 8.990 378 HA GLU2059 HA GLU2059 6.370 -6.766 8.464 379 HB2 GLU2059 1HB GLU2059 5.967 -4.599 10.544 380 HB3 GLU2059 2HB GLU2059 7.436 -4.970 9.623 381 HG2 GLU2059 1HG GLU2059 5.757 -4.443 7.569 382 HG3 GLU2059 2HG GLU2059 4.985 -3.441 8.808 383 HE2 GLU2059 HE GLU2059 8.394 -2.326 7.155 384 H ARG2060 H ARG2060 4.631 -5.916 11.552 385 HA ARG2060 HA ARG2060 6.148 -7.794 12.987 386 HB2 ARG2060 1HB ARG2060 4.631 -7.229 14.864 387 HB3 ARG2060 2HB ARG2060 5.172 -5.758 14.037 388 HG2 ARG2060 1HG ARG2060 3.029 -5.804 12.710 389 HG3 ARG2060 2HG ARG2060 2.487 -7.173 13.697 390 HD2 ARG2060 1HD ARG2060 3.113 -5.506 15.696 391 HD3 ARG2060 2HD ARG2060 2.846 -4.273 14.454 392 HE ARG2060 HE ARG2060 0.713 -6.266 14.568 393 HH11 ARG2060 2HH2 ARG2060 1.886 -3.240 15.991 394 HH12 ARG2060 1HH2 ARG2060 0.321 -2.746 16.540 395 H GLY2061 H GLY2061 3.252 -7.920 11.034 396 HA2 GLY2061 2HA GLY2061 2.561 -10.568 12.156 397 HA3 GLY2061 3HA GLY2061 1.420 -9.463 11.417 398 HA PRO2062 HA PRO2062 4.135 -11.390 8.012 399 HB2 PRO2062 1HB PRO2062 5.541 -13.648 8.636 400 HB3 PRO2062 2HB PRO2062 6.262 -12.041 8.608 401 HG2 PRO2062 1HG PRO2062 5.434 -13.708 10.897 402 HG3 PRO2062 2HG PRO2062 6.583 -12.322 10.876 403 HD2 PRO2062 1HD PRO2062 3.889 -12.384 11.842 404 HD3 PRO2062 2HD PRO2062 4.923 -10.959 11.694 405 H GLN2063 H GLN2063 4.404 -14.023 7.126 406 HA GLN2063 HA GLN2063 1.854 -15.179 7.833 407 HB2 GLN2063 1HB GLN2063 2.254 -13.669 5.443 408 HB3 GLN2063 2HB GLN2063 2.124 -15.370 4.964 409 HG2 GLN2063 1HG GLN2063 0.168 -14.350 6.995 410 HG3 GLN2063 2HG GLN2063 -0.039 -13.780 5.332 411 HE21 GLN2063 1HE2 GLN2063 -2.065 -15.121 6.166 412 HE22 GLN2063 2HE2 GLN2063 -2.128 -16.755 5.595 413 H THR2064 H THR2064 4.153 -15.692 5.072 414 HA THR2064 HA THR2064 5.459 -17.879 6.337 415 HB THR2064 HB THR2064 3.295 -18.992 5.919 416 HG1 THR2064 1HG THR2064 4.656 -20.596 5.238 417 HG21 THR2064 3HG2 THR2064 3.648 -18.727 2.942 418 HG22 THR2064 1HG2 THR2064 2.155 -18.949 3.884 419 HG23 THR2064 2HG2 THR2064 2.914 -17.343 3.788 420 H LEU2065 H LEU2065 6.772 -19.149 4.549 421 HA LEU2065 HA LEU2065 8.417 -17.258 3.357 422 HB2 LEU2065 1HB LEU2065 8.318 -20.054 3.749 423 HB3 LEU2065 2HB LEU2065 8.638 -19.777 2.026 424 HG LEU2065 HG LEU2065 10.718 -20.032 3.202 425 HD11 LEU2065 1HD1 LEU2065 11.656 -18.504 1.897 426 HD12 LEU2065 2HD1 LEU2065 10.049 -17.783 1.644 427 HD13 LEU2065 3HD1 LEU2065 11.096 -17.186 2.955 428 HD21 LEU2065 3HD2 LEU2065 11.419 -18.580 5.030 429 HD22 LEU2065 1HD2 LEU2065 9.846 -17.749 4.996 430 HD23 LEU2065 2HD2 LEU2065 9.935 -19.466 5.456 431 H LYS2066 H LYS2066 5.467 -18.884 2.236 432 HA LYS2066 HA LYS2066 5.844 -18.317 -0.505 433 HB2 LYS2066 1HB LYS2066 4.350 -20.064 0.466 434 HB3 LYS2066 2HB LYS2066 3.241 -18.780 0.975 435 HG2 LYS2066 1HG LYS2066 3.878 -18.279 -1.754 436 HG3 LYS2066 2HG LYS2066 3.546 -20.015 -1.637 437 HD2 LYS2066 1HD LYS2066 1.357 -19.651 -0.809 438 HD3 LYS2066 2HD LYS2066 1.697 -17.971 -0.358 439 HE2 LYS2066 1HE LYS2066 2.206 -18.194 -3.155 440 HE3 LYS2066 2HE LYS2066 0.672 -19.026 -2.864 441 HZ1 LYS2066 2HZ LYS2066 -0.208 -16.969 -2.820 442 HZ3 LYS2066 1HZ LYS2066 1.240 -16.226 -2.757 443 H GLU2067 H GLU2067 4.572 -16.507 2.290 444 HA GLU2067 HA GLU2067 3.575 -14.449 0.556 445 HB2 GLU2067 1HB GLU2067 3.234 -15.262 3.329 446 HB3 GLU2067 2HB GLU2067 3.542 -13.519 3.226 447 HG2 GLU2067 1HG GLU2067 1.429 -15.052 1.649 448 HG3 GLU2067 2HG GLU2067 1.106 -14.062 3.081 449 HE2 GLU2067 HE GLU2067 0.784 -12.265 -0.213 450 H THR2068 H THR2068 6.518 -15.313 2.203 451 HA THR2068 HA THR2068 7.593 -12.831 2.810 452 HB THR2068 HB THR2068 8.793 -15.497 1.915 453 HG1 THR2068 1HG THR2068 7.587 -15.237 3.985 454 HG21 THR2068 3HG2 THR2068 10.401 -13.502 1.589 455 HG22 THR2068 1HG2 THR2068 10.227 -13.200 3.335 456 HG23 THR2068 2HG2 THR2068 10.936 -14.730 2.762 457 H SER2069 H SER2069 7.354 -14.538 -0.331 458 HA SER2069 HA SER2069 9.075 -12.801 -1.663 459 HB2 SER2069 1HB SER2069 6.770 -14.505 -2.686 460 HB3 SER2069 2HB SER2069 7.970 -13.721 -3.732 461 HG SER2069 HG SER2069 8.717 -15.806 -3.422 462 H PHE2070 H PHE2070 5.605 -12.705 -0.826 463 HA PHE2070 HA PHE2070 4.871 -10.677 -2.617 464 HB2 PHE2070 1HB PHE2070 3.663 -12.390 -0.838 465 HB3 PHE2070 2HB PHE2070 3.645 -10.917 0.137 466 HD1 PHE2070 2HD PHE2070 2.678 -12.220 -3.216 467 HD2 PHE2070 1HD PHE2070 1.918 -9.388 -0.148 468 HE1 PHE2070 2HE PHE2070 0.608 -11.469 -4.422 469 HE2 PHE2070 1HE PHE2070 -0.153 -8.638 -1.354 470 HZ PHE2070 HZ PHE2070 -0.783 -9.687 -3.476 471 H ASN2071 H ASN2071 5.722 -10.574 0.919 472 HA ASN2071 HA ASN2071 5.478 -7.841 1.140 473 HB2 ASN2071 1HB ASN2071 5.767 -9.664 2.973 474 HB3 ASN2071 2HB ASN2071 7.509 -9.509 2.694 475 HD21 ASN2071 1HD2 ASN2071 6.352 -9.003 5.137 476 HD22 ASN2071 2HD2 ASN2071 6.456 -7.316 5.524 477 H GLN2072 H GLN2072 8.049 -9.963 -0.103 478 HA GLN2072 HA GLN2072 10.056 -7.957 0.022 479 HB2 GLN2072 1HB GLN2072 9.846 -10.744 -1.104 480 HB3 GLN2072 2HB GLN2072 11.218 -9.725 -1.572 481 HG2 GLN2072 1HG GLN2072 11.641 -9.344 0.907 482 HG3 GLN2072 2HG GLN2072 10.410 -10.569 1.248 483 HE21 GLN2072 1HE2 GLN2072 12.107 -11.712 2.314 484 HE22 GLN2072 2HE2 GLN2072 13.218 -12.700 1.425 485 H ALA2073 H ALA2073 7.863 -9.355 -2.472 486 HA ALA2073 HA ALA2073 8.914 -8.207 -4.722 487 HB1 ALA2073 3HB ALA2073 6.953 -9.844 -4.417 488 HB2 ALA2073 1HB ALA2073 5.942 -8.403 -4.153 489 HB3 ALA2073 2HB ALA2073 6.790 -8.622 -5.702 490 H TYR2074 H TYR2074 6.670 -6.784 -2.270 491 HA TYR2074 HA TYR2074 6.900 -4.215 -3.650 492 HB2 TYR2074 1HB TYR2074 5.281 -5.158 -1.210 493 HB3 TYR2074 2HB TYR2074 4.983 -3.678 -2.127 494 HD1 TYR2074 2HD TYR2074 4.725 -4.277 -4.824 495 HD2 TYR2074 1HD TYR2074 3.727 -6.822 -1.532 496 HE1 TYR2074 2HE TYR2074 3.083 -5.546 -6.293 497 HE2 TYR2074 1HE TYR2074 2.089 -8.082 -3.013 498 HH TYR2074 HH TYR2074 0.895 -6.935 -5.760 499 H GLY2075 H GLY2075 8.215 -6.021 -0.994 500 HA2 GLY2075 2HA GLY2075 8.639 -4.378 1.064 501 HA3 GLY2075 3HA GLY2075 9.894 -5.413 0.412 502 H ARG2076 H ARG2076 10.370 -4.189 -2.115 503 HA ARG2076 HA ARG2076 11.900 -1.983 -1.207 504 HB2 ARG2076 1HB ARG2076 12.274 -3.852 -3.144 505 HB3 ARG2076 2HB ARG2076 11.639 -2.536 -4.146 506 HG2 ARG2076 1HG ARG2076 13.794 -1.936 -2.131 507 HG3 ARG2076 2HG ARG2076 14.253 -2.751 -3.637 508 HD2 ARG2076 1HD ARG2076 12.597 -0.705 -4.528 509 HD3 ARG2076 2HD ARG2076 13.436 0.059 -3.169 510 HE ARG2076 HE ARG2076 14.572 -0.613 -5.733 511 HH11 ARG2076 2HH2 ARG2076 15.393 -0.539 -2.287 512 HH12 ARG2076 1HH2 ARG2076 17.090 -0.338 -2.568 513 H ASP2077 H ASP2077 9.013 -2.554 -3.282 514 HA ASP2077 HA ASP2077 8.806 -0.049 -4.367 515 HB2 ASP2077 1HB ASP2077 6.702 -2.077 -3.527 516 HB3 ASP2077 2HB ASP2077 6.286 -0.610 -4.426 517 HD2 ASP2077 HD ASP2077 6.571 -3.139 -6.896 518 H LEU2078 H LEU2078 7.039 -1.445 -1.489 519 HA LEU2078 HA LEU2078 5.820 0.874 -0.662 520 HB2 LEU2078 1HB LEU2078 6.740 -1.592 0.775 521 HB3 LEU2078 2HB LEU2078 5.898 -0.283 1.624 522 HG LEU2078 HG LEU2078 4.887 -2.272 -0.357 523 HD11 LEU2078 1HD1 LEU2078 2.832 -1.736 1.292 524 HD12 LEU2078 2HD1 LEU2078 4.119 -2.907 1.672 525 HD13 LEU2078 3HD1 LEU2078 4.187 -1.260 2.343 526 HD21 LEU2078 3HD2 LEU2078 4.302 -0.387 -1.617 527 HD22 LEU2078 1HD2 LEU2078 2.843 -0.754 -0.664 528 HD23 LEU2078 2HD2 LEU2078 3.917 0.577 -0.172 529 H MET2079 H MET2079 9.137 -0.354 -0.017 530 HA MET2079 HA MET2079 9.831 1.418 1.939 531 HB2 MET2079 1HB MET2079 11.163 -0.549 1.074 532 HB3 MET2079 2HB MET2079 11.573 0.390 -0.371 533 HG2 MET2079 1HG MET2079 12.858 1.967 0.912 534 HG3 MET2079 2HG MET2079 12.194 1.383 2.443 535 HE1 MET2079 3HE MET2079 12.281 -1.092 3.049 536 HE2 MET2079 1HE MET2079 13.837 -1.956 3.047 537 HE3 MET2079 2HE MET2079 13.677 -0.411 3.916 538 H GLU2080 H GLU2080 9.990 1.802 -1.656 539 HA GLU2080 HA GLU2080 11.236 4.289 -1.570 540 HB2 GLU2080 1HB GLU2080 11.162 2.833 -3.564 541 HB3 GLU2080 2HB GLU2080 9.417 3.104 -3.714 542 HG2 GLU2080 1HG GLU2080 9.688 5.292 -4.442 543 HG3 GLU2080 2HG GLU2080 11.224 5.511 -3.590 544 HE2 GLU2080 HE GLU2080 11.914 5.216 -7.140 545 H ALA2081 H ALA2081 7.751 3.422 -2.186 546 HA ALA2081 HA ALA2081 6.787 6.009 -2.231 547 HB1 ALA2081 3HB ALA2081 5.727 3.617 -2.706 548 HB2 ALA2081 1HB ALA2081 5.164 3.784 -1.026 549 HB3 ALA2081 2HB ALA2081 4.703 4.998 -2.243 550 H GLN2082 H GLN2082 7.455 3.790 0.522 551 HA GLN2082 HA GLN2082 6.204 5.278 2.465 552 HB2 GLN2082 1HB GLN2082 7.006 2.992 2.815 553 HB3 GLN2082 2HB GLN2082 8.691 3.522 2.664 554 HG2 GLN2082 1HG GLN2082 7.666 5.216 4.620 555 HG3 GLN2082 2HG GLN2082 6.846 3.686 4.969 556 HE21 GLN2082 1HE2 GLN2082 8.105 3.823 6.946 557 HE22 GLN2082 2HE2 GLN2082 9.725 3.213 6.986 558 H GLU2083 H GLU2083 9.502 5.531 1.046 559 HA GLU2083 HA GLU2083 10.423 7.408 2.892 560 HB2 GLU2083 1HB GLU2083 12.324 6.944 1.803 561 HB3 GLU2083 2HB GLU2083 11.412 6.035 0.585 562 HG2 GLU2083 1HG GLU2083 11.071 8.071 -0.726 563 HG3 GLU2083 2HG GLU2083 11.836 9.058 0.527 564 HE2 GLU2083 HE GLU2083 15.046 8.105 -0.377 565 H TRP2084 H TRP2084 8.649 7.649 -0.217 566 HA TRP2084 HA TRP2084 8.958 10.433 -0.517 567 HB2 TRP2084 1HB TRP2084 6.983 8.440 -1.608 568 HB3 TRP2084 2HB TRP2084 6.947 10.153 -2.033 569 HD1 TRP2084 HD TRP2084 8.695 6.931 -2.935 570 HE1 TRP2084 1HE TRP2084 10.521 7.269 -4.811 571 HE3 TRP2084 3HE TRP2084 8.695 12.014 -2.760 572 HZ2 TRP2084 2HZ TRP2084 11.734 9.571 -5.985 573 HZ3 TRP2084 3HZ TRP2084 10.229 13.229 -4.304 574 HH2 TRP2084 HH TRP2084 11.712 12.091 -5.877 575 H CYS2085 H CYS2085 6.876 8.312 1.418 576 HA CYS2085 HA CYS2085 4.884 10.247 1.925 577 HB2 CYS2085 1HB CYS2085 5.432 7.504 2.638 578 HB3 CYS2085 2HB CYS2085 4.900 8.414 4.063 579 HG CYS2085 HG CYS2085 3.444 7.580 1.292 580 H ARG2086 H ARG2086 7.606 8.865 3.920 581 HA ARG2086 HA ARG2086 7.320 10.558 6.031 582 HB2 ARG2086 1HB ARG2086 9.847 9.306 4.863 583 HB3 ARG2086 2HB ARG2086 9.775 10.045 6.473 584 HG2 ARG2086 1HG ARG2086 8.778 8.217 7.358 585 HG3 ARG2086 2HG ARG2086 7.603 8.107 6.035 586 HD2 ARG2086 1HD ARG2086 8.910 6.094 5.964 587 HD3 ARG2086 2HD ARG2086 9.486 7.090 4.620 588 HE ARG2086 HE ARG2086 10.987 7.541 7.080 589 HH11 ARG2086 2HH2 ARG2086 10.710 5.413 4.260 590 HH12 ARG2086 1HH2 ARG2086 12.356 4.885 4.341 591 H LYS2087 H LYS2087 9.096 10.978 2.928 592 HA LYS2087 HA LYS2087 10.419 13.350 3.662 593 HB2 LYS2087 1HB LYS2087 11.298 12.102 1.879 594 HB3 LYS2087 2HB LYS2087 9.750 12.050 1.018 595 HG2 LYS2087 1HG LYS2087 10.573 14.798 1.559 596 HG3 LYS2087 2HG LYS2087 11.838 13.928 0.674 597 HD2 LYS2087 1HD LYS2087 9.238 13.287 -0.434 598 HD3 LYS2087 2HD LYS2087 9.422 15.046 -0.358 599 HE2 LYS2087 1HE LYS2087 11.868 13.738 -1.300 600 HE3 LYS2087 2HE LYS2087 10.483 13.313 -2.316 601 HZ1 LYS2087 2HZ LYS2087 11.668 15.408 -2.965 602 HZ3 LYS2087 1HZ LYS2087 11.163 16.107 -1.584 603 H TYR2088 H TYR2088 7.198 12.612 2.273 604 HA TYR2088 HA TYR2088 6.585 15.313 1.669 605 HB2 TYR2088 1HB TYR2088 5.258 13.707 0.547 606 HB3 TYR2088 2HB TYR2088 5.291 12.589 1.914 607 HD1 TYR2088 2HD TYR2088 3.593 15.489 0.408 608 HD2 TYR2088 1HD TYR2088 3.614 12.730 3.677 609 HE1 TYR2088 2HE TYR2088 1.238 16.209 1.040 610 HE2 TYR2088 1HE TYR2088 1.259 13.459 4.299 611 HH TYR2088 HH TYR2088 -0.099 15.641 3.947 612 H MET2089 H MET2089 5.804 13.096 4.428 613 HA MET2089 HA MET2089 4.165 14.877 5.749 614 HB2 MET2089 1HB MET2089 5.949 12.563 6.605 615 HB3 MET2089 2HB MET2089 4.978 13.433 7.804 616 HG2 MET2089 1HG MET2089 3.103 12.949 5.850 617 HG3 MET2089 2HG MET2089 4.134 11.525 5.674 618 HE1 MET2089 3HE MET2089 0.767 11.080 7.618 619 HE2 MET2089 1HE MET2089 1.020 12.749 8.184 620 HE3 MET2089 2HE MET2089 1.259 12.345 6.467 621 H LYS2090 H LYS2090 7.725 14.524 5.689 622 HA LYS2090 HA LYS2090 8.040 16.431 7.834 623 HB2 LYS2090 1HB LYS2090 9.526 14.534 7.733 624 HB3 LYS2090 2HB LYS2090 10.044 14.965 6.095 625 HG2 LYS2090 1HG LYS2090 11.552 15.659 8.093 626 HG3 LYS2090 2HG LYS2090 11.222 16.880 6.852 627 HD2 LYS2090 1HD LYS2090 10.977 17.837 9.102 628 HD3 LYS2090 2HD LYS2090 9.405 17.813 8.282 629 HE2 LYS2090 1HE LYS2090 9.140 15.473 9.477 630 HE3 LYS2090 2HE LYS2090 10.410 16.077 10.554 631 HZ1 LYS2090 2HZ LYS2090 7.878 17.527 9.995 632 HZ3 LYS2090 1HZ LYS2090 9.004 17.955 11.089 633 H SER2091 H SER2091 8.907 16.211 4.310 634 HA SER2091 HA SER2091 9.652 18.908 4.213 635 HB2 SER2091 1HB SER2091 10.409 17.094 2.643 636 HB3 SER2091 2HB SER2091 8.796 17.106 1.906 637 HG SER2091 HG SER2091 10.794 19.190 1.928 638 H GLY2092 H GLY2092 6.885 17.228 2.533 639 HA2 GLY2092 2HA GLY2092 4.639 17.923 2.775 640 HA3 GLY2092 3HA GLY2092 5.178 19.538 3.190 641 H ASN2093 H ASN2093 4.586 17.227 0.562 642 HA ASN2093 HA ASN2093 4.308 19.418 -1.229 643 HB2 ASN2093 1HB ASN2093 6.811 18.089 -1.151 644 HB3 ASN2093 2HB ASN2093 5.990 17.417 -2.567 645 HD21 ASN2093 1HD2 ASN2093 7.553 18.441 -3.869 646 HD22 ASN2093 2HD2 ASN2093 7.472 20.129 -4.249 647 H VAL2094 H VAL2094 2.455 18.864 -2.387 648 HA VAL2094 HA VAL2094 1.235 16.388 -2.152 649 HB VAL2094 HB VAL2094 0.328 18.702 -2.814 650 HG11 VAL2094 1HG1 VAL2094 0.035 19.040 -5.250 651 HG12 VAL2094 2HG1 VAL2094 1.743 19.109 -4.752 652 HG13 VAL2094 3HG1 VAL2094 1.108 17.652 -5.555 653 HG21 VAL2094 3HG2 VAL2094 -0.575 16.072 -3.994 654 HG22 VAL2094 1HG2 VAL2094 -1.226 16.958 -2.595 655 HG23 VAL2094 2HG2 VAL2094 -1.500 17.573 -4.243 656 H LYS2095 H LYS2095 3.460 17.712 -4.651 657 HA LYS2095 HA LYS2095 3.199 15.784 -6.567 658 HB2 LYS2095 1HB LYS2095 4.559 17.919 -6.585 659 HB3 LYS2095 2HB LYS2095 5.842 17.015 -5.761 660 HG2 LYS2095 1HG LYS2095 4.631 15.763 -8.197 661 HG3 LYS2095 2HG LYS2095 5.653 17.185 -8.464 662 HD2 LYS2095 1HD LYS2095 7.229 15.813 -6.736 663 HD3 LYS2095 2HD LYS2095 6.377 14.448 -7.480 664 HE2 LYS2095 1HE LYS2095 7.299 14.848 -9.573 665 HE3 LYS2095 2HE LYS2095 7.486 16.586 -9.291 666 HZ1 LYS2095 2HZ LYS2095 9.618 15.352 -9.260 667 HZ3 LYS2095 1HZ LYS2095 9.127 14.493 -7.967 668 H ASP2096 H ASP2096 5.262 15.724 -3.593 669 HA ASP2096 HA ASP2096 6.359 13.236 -4.157 670 HB2 ASP2096 1HB ASP2096 5.836 14.360 -1.381 671 HB3 ASP2096 2HB ASP2096 7.150 13.279 -1.869 672 HD2 ASP2096 HD ASP2096 8.273 16.766 -1.498 673 H LEU2097 H LEU2097 3.416 14.374 -2.424 674 HA LEU2097 HA LEU2097 2.748 11.919 -1.239 675 HB2 LEU2097 1HB LEU2097 1.848 13.903 -0.374 676 HB3 LEU2097 2HB LEU2097 1.182 14.393 -1.942 677 HG LEU2097 HG LEU2097 -0.572 12.833 -1.803 678 HD11 LEU2097 1HD1 LEU2097 0.120 10.777 -1.184 679 HD12 LEU2097 2HD1 LEU2097 1.237 11.399 0.054 680 HD13 LEU2097 3HD1 LEU2097 -0.504 11.287 0.402 681 HD21 LEU2097 3HD2 LEU2097 -0.072 14.605 0.420 682 HD22 LEU2097 1HD2 LEU2097 -1.601 14.216 -0.404 683 HD23 LEU2097 2HD2 LEU2097 -1.031 13.199 0.943 684 H THR2098 H THR2098 1.912 13.449 -4.397 685 HA THR2098 HA THR2098 0.104 11.461 -5.208 686 HB THR2098 HB THR2098 1.861 13.498 -6.659 687 HG1 THR2098 1HG THR2098 0.101 14.310 -5.365 688 HG21 THR2098 3HG2 THR2098 -0.125 13.077 -8.414 689 HG22 THR2098 1HG2 THR2098 1.363 12.103 -8.491 690 HG23 THR2098 2HG2 THR2098 -0.096 11.442 -7.712 691 H GLN2099 H GLN2099 3.673 11.767 -5.596 692 HA GLN2099 HA GLN2099 3.938 9.593 -7.276 693 HB2 GLN2099 1HB GLN2099 5.640 11.381 -5.773 694 HB3 GLN2099 2HB GLN2099 6.266 9.729 -5.637 695 HG2 GLN2099 1HG GLN2099 5.403 10.800 -8.327 696 HG3 GLN2099 2HG GLN2099 6.980 11.269 -7.674 697 HE21 GLN2099 1HE2 GLN2099 5.101 8.877 -9.209 698 HE22 GLN2099 2HE2 GLN2099 6.276 7.609 -9.307 699 H ALA2100 H ALA2100 3.894 9.851 -3.680 700 HA ALA2100 HA ALA2100 4.610 7.193 -3.171 701 HB1 ALA2100 3HB ALA2100 4.165 7.738 -0.958 702 HB2 ALA2100 1HB ALA2100 4.392 9.360 -1.656 703 HB3 ALA2100 2HB ALA2100 2.749 8.732 -1.375 704 H TRP2101 H TRP2101 1.480 8.817 -3.860 705 HA TRP2101 HA TRP2101 -0.104 6.558 -3.239 706 HB2 TRP2101 1HB TRP2101 -0.465 9.260 -4.190 707 HB3 TRP2101 2HB TRP2101 -1.484 8.137 -5.093 708 HD1 TRP2101 HD TRP2101 -1.632 10.166 -2.056 709 HE1 TRP2101 1HE TRP2101 -3.495 9.417 -0.343 710 HE3 TRP2101 3HE TRP2101 -2.465 5.605 -4.147 711 HZ2 TRP2101 2HZ TRP2101 -5.072 7.055 -0.061 712 HZ3 TRP2101 3HZ TRP2101 -4.182 4.140 -3.091 713 HH2 TRP2101 HH TRP2101 -5.466 4.800 -1.117 714 H ASP2102 H ASP2102 1.775 7.692 -6.037 715 HA ASP2102 HA ASP2102 0.507 6.081 -7.928 716 HB2 ASP2102 1HB ASP2102 2.420 8.055 -7.958 717 HB3 ASP2102 2HB ASP2102 3.415 6.628 -8.291 718 HD2 ASP2102 HD ASP2102 2.673 7.351 -11.565 719 H LEU2103 H LEU2103 3.577 5.777 -5.994 720 HA LEU2103 HA LEU2103 4.400 3.334 -6.982 721 HB2 LEU2103 1HB LEU2103 4.756 4.515 -4.231 722 HB3 LEU2103 2HB LEU2103 5.695 3.167 -4.901 723 HG LEU2103 HG LEU2103 5.626 5.845 -6.279 724 HD11 LEU2103 1HD1 LEU2103 6.226 6.472 -4.065 725 HD12 LEU2103 2HD1 LEU2103 7.325 5.082 -3.895 726 HD13 LEU2103 3HD1 LEU2103 7.729 6.406 -5.016 727 HD21 LEU2103 3HD2 LEU2103 6.830 4.626 -7.714 728 HD22 LEU2103 1HD2 LEU2103 8.146 4.777 -6.525 729 HD23 LEU2103 2HD2 LEU2103 7.111 3.328 -6.529 730 H TYR2104 H TYR2104 2.278 4.078 -4.138 731 HA TYR2104 HA TYR2104 1.880 1.490 -3.291 732 HB2 TYR2104 1HB TYR2104 0.253 4.077 -3.429 733 HB3 TYR2104 2HB TYR2104 -0.455 2.650 -2.666 734 HD1 TYR2104 1HD TYR2104 2.002 1.555 -1.309 735 HD2 TYR2104 2HD TYR2104 0.497 5.549 -1.611 736 HE1 TYR2104 1HE TYR2104 3.162 2.165 0.870 737 HE2 TYR2104 2HE TYR2104 1.663 6.145 0.568 738 HH TYR2104 HH TYR2104 2.783 5.405 2.268 739 H TYR2105 H TYR2105 -0.175 3.422 -5.592 740 HA TYR2105 HA TYR2105 -2.061 1.536 -6.136 741 HB2 TYR2105 1HB TYR2105 -1.369 4.038 -6.977 742 HB3 TYR2105 2HB TYR2105 -0.749 3.139 -8.366 743 HD1 TYR2105 2HD TYR2105 -2.968 0.965 -8.280 744 HD2 TYR2105 1HD TYR2105 -3.071 5.240 -8.159 745 HE1 TYR2105 2HE TYR2105 -5.302 0.944 -9.284 746 HE2 TYR2105 1HE TYR2105 -5.407 5.206 -9.164 747 HH TYR2105 HH TYR2105 -6.851 3.902 -10.309 748 H HIS2106 H HIS2106 1.281 1.785 -7.438 749 HA HIS2106 HA HIS2106 0.956 -0.108 -9.457 750 HB2 HIS2106 1HB HIS2106 3.177 1.254 -8.076 751 HB3 HIS2106 2HB HIS2106 3.595 -0.304 -8.799 752 HD1 HIS2106 1HD HIS2106 3.838 3.075 -9.623 753 HD2 HIS2106 2HD HIS2106 2.254 -0.227 -11.671 754 HE1 HIS2106 1HE HIS2106 3.806 3.713 -12.094 755 HE2 HIS2106 2HE HIS2106 2.820 1.646 -13.311 756 H VAL2107 H VAL2107 2.079 -0.399 -6.027 757 HA VAL2107 HA VAL2107 2.474 -3.194 -6.213 758 HB VAL2107 HB VAL2107 3.222 -3.023 -4.093 759 HG11 VAL2107 1HG1 VAL2107 4.441 -1.075 -3.833 760 HG12 VAL2107 2HG1 VAL2107 4.022 -0.995 -5.560 761 HG13 VAL2107 3HG1 VAL2107 3.104 -0.035 -4.376 762 HG21 VAL2107 3HG2 VAL2107 2.208 -1.744 -2.292 763 HG22 VAL2107 1HG2 VAL2107 1.117 -0.933 -3.441 764 HG23 VAL2107 2HG2 VAL2107 0.955 -2.681 -3.141 765 H PHE2108 H PHE2108 -0.169 -1.100 -4.883 766 HA PHE2108 HA PHE2108 -1.771 -3.214 -4.033 767 HB2 PHE2108 1HB PHE2108 -2.045 -0.300 -4.828 768 HB3 PHE2108 2HB PHE2108 -3.539 -1.212 -4.588 769 HD1 PHE2108 1HD PHE2108 -4.013 -2.194 -2.346 770 HD2 PHE2108 2HD PHE2108 -0.744 0.430 -2.995 771 HE1 PHE2108 1HE PHE2108 -3.848 -1.789 0.126 772 HE2 PHE2108 2HE PHE2108 -0.578 0.836 -0.524 773 HZ PHE2108 HZ PHE2108 -2.132 -0.278 1.008 774 H ARG2109 H ARG2109 -1.249 -1.739 -7.225 775 HA ARG2109 HA ARG2109 -3.619 -2.783 -8.327 776 HB2 ARG2109 1HB ARG2109 -2.631 -0.867 -9.390 777 HB3 ARG2109 2HB ARG2109 -1.051 -1.655 -9.530 778 HG2 ARG2109 1HG ARG2109 -2.066 -3.315 -11.101 779 HG3 ARG2109 2HG ARG2109 -3.609 -2.446 -11.001 780 HD2 ARG2109 1HD ARG2109 -0.991 -1.170 -11.899 781 HD3 ARG2109 2HD ARG2109 -2.167 -1.863 -13.025 782 HE ARG2109 HE ARG2109 -3.715 -0.144 -11.563 783 HH11 ARG2109 2HH2 ARG2109 -0.600 0.311 -13.188 784 HH12 ARG2109 1HH2 ARG2109 -0.865 1.994 -13.494 785 H ARG2110 H ARG2110 -0.203 -3.839 -8.034 786 HA ARG2110 HA ARG2110 -0.336 -5.894 -9.879 787 HB2 ARG2110 1HB ARG2110 1.383 -5.368 -7.432 788 HB3 ARG2110 2HB ARG2110 1.616 -6.836 -8.396 789 HG2 ARG2110 1HG ARG2110 1.509 -4.158 -9.779 790 HG3 ARG2110 2HG ARG2110 2.996 -4.620 -8.929 791 HD2 ARG2110 1HD ARG2110 1.741 -6.628 -10.783 792 HD3 ARG2110 2HD ARG2110 2.572 -5.248 -11.517 793 HE ARG2110 HE ARG2110 4.139 -6.534 -9.417 794 HH11 ARG2110 2HH2 ARG2110 3.280 -6.702 -12.851 795 HH12 ARG2110 1HH2 ARG2110 4.715 -7.565 -13.295 796 H ILE2111 H ILE2111 -0.747 -5.858 -6.266 797 HA ILE2111 HA ILE2111 -1.136 -8.522 -5.841 798 HB ILE2111 HB ILE2111 -2.591 -7.742 -3.922 799 HG12 ILE2111 1HG1 ILE2111 -1.838 -5.015 -4.994 800 HG13 ILE2111 2HG1 ILE2111 -3.471 -5.706 -4.996 801 HG21 ILE2111 1HG2 ILE2111 0.027 -7.975 -4.102 802 HG22 ILE2111 2HG2 ILE2111 -0.024 -6.205 -3.911 803 HG23 ILE2111 3HG2 ILE2111 -0.738 -7.255 -2.664 804 HD11 ILE2111 3HD1 ILE2111 -3.050 -5.999 -2.407 805 HD12 ILE2111 1HD1 ILE2111 -1.777 -4.781 -2.664 806 HD13 ILE2111 2HD1 ILE2111 -3.472 -4.391 -3.045 807 H SER2112 H SER2112 -3.332 -6.130 -7.307 808 HA SER2112 HA SER2112 -5.501 -8.001 -7.244 809 HB2 SER2112 1HB SER2112 -6.551 -6.111 -8.725 810 HB3 SER2112 2HB SER2112 -6.275 -5.802 -7.002 811 HG SER2112 HG SER2112 -4.720 -4.916 -9.268 812 H LYS2113 H LYS2113 -3.391 -6.368 -9.708 813 HA LYS2113 HA LYS2113 -4.453 -7.502 -11.966 814 HB2 LYS2113 1HB LYS2113 -2.960 -5.863 -12.441 815 HB3 LYS2113 2HB LYS2113 -1.808 -6.367 -11.190 816 HG2 LYS2113 1HG LYS2113 -0.755 -7.848 -12.584 817 HG3 LYS2113 2HG LYS2113 -2.252 -8.321 -13.406 818 HD2 LYS2113 1HD LYS2113 -2.148 -6.515 -14.898 819 HD3 LYS2113 2HD LYS2113 -1.118 -5.547 -13.828 820 HE2 LYS2113 1HE LYS2113 0.818 -6.796 -14.381 821 HE3 LYS2113 2HE LYS2113 -0.118 -8.155 -15.024 822 HZ1 LYS2113 2HZ LYS2113 0.937 -6.538 -16.687 823 HZ3 LYS2113 1HZ LYS2113 -0.241 -5.487 -16.292 824 H GLN2114 H GLN2114 -4.516 -9.512 -12.853 825 HA GLN2114 HA GLN2114 -2.491 -11.381 -12.423 826 HB2 GLN2114 1HB GLN2114 -4.241 -11.259 -10.271 827 HB3 GLN2114 2HB GLN2114 -4.897 -12.599 -11.227 828 HG2 GLN2114 1HG GLN2114 -3.194 -13.951 -10.615 829 HG3 GLN2114 2HG GLN2114 -1.981 -12.751 -11.087 830 HE21 GLN2114 1HE2 GLN2114 -1.643 -14.410 -8.924 831 HE22 GLN2114 2HE2 GLN2114 -1.690 -13.507 -7.448 Start of MODEL 2 1 H MET2014 H MET2014 -8.397 -4.372 -8.607 2 HA MET2014 HA MET2014 -10.669 -5.758 -9.785 3 HB2 MET2014 1HB MET2014 -8.328 -6.775 -8.841 4 HB3 MET2014 2HB MET2014 -9.248 -6.783 -7.326 5 HG2 MET2014 1HG MET2014 -9.510 -8.939 -8.462 6 HG3 MET2014 2HG MET2014 -11.059 -8.089 -8.482 7 HE1 MET2014 3HE MET2014 -7.995 -9.169 -9.991 8 HE2 MET2014 1HE MET2014 -8.823 -10.114 -11.251 9 HE3 MET2014 2HE MET2014 -7.957 -8.620 -11.684 10 H GLU2015 H GLU2015 -12.523 -4.689 -9.124 11 HA GLU2015 HA GLU2015 -12.690 -4.141 -6.263 12 HB2 GLU2015 1HB GLU2015 -14.028 -2.818 -8.645 13 HB3 GLU2015 2HB GLU2015 -14.554 -2.527 -6.977 14 HG2 GLU2015 1HG GLU2015 -12.347 -1.665 -6.390 15 HG3 GLU2015 2HG GLU2015 -11.702 -2.097 -7.982 16 HE2 GLU2015 HE GLU2015 -12.413 1.160 -8.830 17 H LEU2016 H LEU2016 -13.494 -6.435 -8.496 18 HA LEU2016 HA LEU2016 -16.182 -6.858 -7.411 19 HB2 LEU2016 1HB LEU2016 -15.395 -6.800 -9.966 20 HB3 LEU2016 2HB LEU2016 -15.145 -8.524 -9.629 21 HG LEU2016 HG LEU2016 -17.292 -8.442 -10.501 22 HD11 LEU2016 1HD1 LEU2016 -17.221 -8.590 -7.539 23 HD12 LEU2016 2HD1 LEU2016 -18.825 -8.451 -8.295 24 HD13 LEU2016 3HD1 LEU2016 -17.744 -9.792 -8.743 25 HD21 LEU2016 3HD2 LEU2016 -18.236 -6.454 -10.796 26 HD22 LEU2016 1HD2 LEU2016 -18.832 -6.568 -9.122 27 HD23 LEU2016 2HD2 LEU2016 -17.297 -5.733 -9.466 28 H ILE2017 H ILE2017 -15.727 -9.788 -8.386 29 HA ILE2017 HA ILE2017 -15.544 -11.074 -6.093 30 HB ILE2017 HB ILE2017 -14.308 -11.822 -8.738 31 HG12 ILE2017 1HG1 ILE2017 -16.546 -13.398 -8.120 32 HG13 ILE2017 2HG1 ILE2017 -17.000 -11.741 -7.690 33 HG21 ILE2017 1HG2 ILE2017 -13.332 -13.026 -6.677 34 HG22 ILE2017 2HG2 ILE2017 -14.927 -13.806 -6.559 35 HG23 ILE2017 3HG2 ILE2017 -13.943 -14.011 -8.029 36 HD11 ILE2017 3HD1 ILE2017 -15.789 -11.260 -10.069 37 HD12 ILE2017 1HD1 ILE2017 -16.340 -12.927 -10.358 38 HD13 ILE2017 2HD1 ILE2017 -17.517 -11.660 -9.937 39 H ARG2018 H ARG2018 -14.057 -11.710 -4.537 40 HA ARG2018 HA ARG2018 -11.322 -11.556 -4.934 41 HB2 ARG2018 1HB ARG2018 -12.621 -9.059 -4.137 42 HB3 ARG2018 2HB ARG2018 -11.456 -9.578 -2.906 43 HG2 ARG2018 1HG ARG2018 -10.362 -9.932 -5.582 44 HG3 ARG2018 2HG ARG2018 -10.906 -8.260 -5.360 45 HD2 ARG2018 1HD ARG2018 -8.809 -8.037 -4.444 46 HD3 ARG2018 2HD ARG2018 -9.621 -8.633 -2.989 47 HE ARG2018 HE ARG2018 -8.515 -10.702 -3.246 48 HH11 ARG2018 2HH2 ARG2018 -8.008 -8.703 -6.126 49 HH12 ARG2018 1HH2 ARG2018 -6.782 -9.735 -6.781 50 H VAL2019 H VAL2019 -10.256 -12.636 -3.206 51 HA VAL2019 HA VAL2019 -11.881 -14.094 -1.454 52 HB VAL2019 HB VAL2019 -9.862 -15.049 -2.135 53 HG11 VAL2019 1HG1 VAL2019 -7.642 -13.803 -1.360 54 HG12 VAL2019 2HG1 VAL2019 -8.435 -13.425 -2.910 55 HG13 VAL2019 3HG1 VAL2019 -8.688 -12.371 -1.498 56 HG21 VAL2019 3HG2 VAL2019 -9.759 -14.142 0.741 57 HG22 VAL2019 1HG2 VAL2019 -10.193 -15.735 0.078 58 HG23 VAL2019 2HG2 VAL2019 -8.496 -15.196 0.059 59 HA PRO2020 HA PRO2020 -12.349 -11.130 1.687 60 HB2 PRO2020 1HB PRO2020 -13.652 -12.696 3.507 61 HB3 PRO2020 2HB PRO2020 -14.469 -11.881 2.175 62 HG2 PRO2020 1HG PRO2020 -13.714 -14.716 2.488 63 HG3 PRO2020 2HG PRO2020 -14.946 -13.996 1.387 64 HD2 PRO2020 1HD PRO2020 -12.336 -14.979 0.739 65 HD3 PRO2020 2HD PRO2020 -13.445 -14.134 -0.347 66 H ILE2021 H ILE2021 -10.963 -14.261 2.346 67 HA ILE2021 HA ILE2021 -9.486 -13.006 4.546 68 HB ILE2021 HB ILE2021 -8.992 -15.466 5.090 69 HG12 ILE2021 1HG1 ILE2021 -10.047 -16.086 2.758 70 HG13 ILE2021 2HG1 ILE2021 -10.208 -17.163 4.156 71 HG21 ILE2021 1HG2 ILE2021 -11.289 -15.671 6.204 72 HG22 ILE2021 2HG2 ILE2021 -10.301 -14.244 6.598 73 HG23 ILE2021 3HG2 ILE2021 -11.656 -14.100 5.453 74 HD11 ILE2021 3HD1 ILE2021 -12.305 -15.044 3.804 75 HD12 ILE2021 1HD1 ILE2021 -12.316 -16.402 2.651 76 HD13 ILE2021 2HD1 ILE2021 -12.466 -16.715 4.397 77 H LEU2022 H LEU2022 -7.816 -11.976 3.439 78 HA LEU2022 HA LEU2022 -5.625 -13.522 2.752 79 HB2 LEU2022 1HB LEU2022 -7.497 -13.618 0.738 80 HB3 LEU2022 2HB LEU2022 -6.385 -12.350 0.193 81 HG LEU2022 HG LEU2022 -5.712 -14.451 -0.747 82 HD11 LEU2022 1HD1 LEU2022 -3.989 -12.802 0.245 83 HD12 LEU2022 2HD1 LEU2022 -3.740 -14.048 1.492 84 HD13 LEU2022 3HD1 LEU2022 -3.445 -14.431 -0.221 85 HD21 LEU2022 3HD2 LEU2022 -5.706 -15.526 2.087 86 HD22 LEU2022 1HD2 LEU2022 -6.799 -15.990 0.761 87 HD23 LEU2022 2HD2 LEU2022 -5.065 -16.383 0.663 88 H TRP2023 H TRP2023 -3.769 -12.195 2.344 89 HA TRP2023 HA TRP2023 -3.767 -9.762 3.580 90 HB2 TRP2023 1HB TRP2023 -1.962 -11.180 1.701 91 HB3 TRP2023 2HB TRP2023 -1.677 -9.454 1.939 92 HD1 TRP2023 HD TRP2023 -2.961 -11.129 5.062 93 HE1 TRP2023 1HE TRP2023 -1.065 -11.506 6.859 94 HE3 TRP2023 3HE TRP2023 0.922 -10.047 1.962 95 HZ2 TRP2023 2HZ TRP2023 1.782 -11.314 6.783 96 HZ3 TRP2023 3HZ TRP2023 3.227 -10.165 2.903 97 HH2 TRP2023 HH TRP2023 3.687 -10.773 5.225 98 H HIS2024 H HIS2024 -3.982 -10.493 0.027 99 HA HIS2024 HA HIS2024 -4.073 -7.960 -0.927 100 HB2 HIS2024 1HB HIS2024 -5.921 -10.065 -2.010 101 HB3 HIS2024 2HB HIS2024 -4.979 -8.851 -2.885 102 HD1 HIS2024 1HD HIS2024 -5.047 -12.330 -2.489 103 HD2 HIS2024 2HD HIS2024 -1.970 -9.495 -2.204 104 HE1 HIS2024 1HE HIS2024 -2.864 -13.609 -2.817 105 HE2 HIS2024 2HE HIS2024 -0.998 -11.816 -2.629 106 H GLU2025 H GLU2025 -6.428 -9.608 1.081 107 HA GLU2025 HA GLU2025 -8.647 -8.085 0.341 108 HB2 GLU2025 1HB GLU2025 -8.514 -10.295 1.675 109 HB3 GLU2025 2HB GLU2025 -8.219 -9.281 3.098 110 HG2 GLU2025 1HG GLU2025 -10.447 -8.212 1.592 111 HG3 GLU2025 2HG GLU2025 -10.725 -9.936 1.882 112 HE2 GLU2025 HE GLU2025 -11.931 -7.983 4.728 113 H MET2026 H MET2026 -5.948 -7.594 2.624 114 HA MET2026 HA MET2026 -7.201 -5.390 3.897 115 HB2 MET2026 1HB MET2026 -5.218 -5.324 5.200 116 HB3 MET2026 2HB MET2026 -5.295 -7.031 4.732 117 HG2 MET2026 1HG MET2026 -3.082 -6.537 4.190 118 HG3 MET2026 2HG MET2026 -3.859 -6.176 2.646 119 HE1 MET2026 3HE MET2026 -1.153 -4.868 2.847 120 HE2 MET2026 1HE MET2026 -0.945 -3.518 3.989 121 HE3 MET2026 2HE MET2026 -1.199 -5.170 4.601 122 H TRP2027 H TRP2027 -5.018 -5.898 1.127 123 HA TRP2027 HA TRP2027 -4.094 -3.253 0.916 124 HB2 TRP2027 1HB TRP2027 -4.372 -5.480 -1.097 125 HB3 TRP2027 2HB TRP2027 -3.607 -3.931 -1.453 126 HD1 TRP2027 HD TRP2027 -3.085 -6.984 0.910 127 HE1 TRP2027 1HE TRP2027 -0.535 -7.260 1.528 128 HE3 TRP2027 3HE TRP2027 -1.523 -2.749 -1.427 129 HZ2 TRP2027 2HZ TRP2027 1.797 -5.709 0.981 130 HZ3 TRP2027 3HZ TRP2027 0.906 -2.202 -1.339 131 HH2 TRP2027 HH TRP2027 2.545 -3.602 -0.187 132 H HIS2028 H HIS2028 -6.875 -5.070 -0.535 133 HA HIS2028 HA HIS2028 -7.800 -2.902 -2.046 134 HB2 HIS2028 1HB HIS2028 -8.766 -4.733 -2.875 135 HB3 HIS2028 2HB HIS2028 -8.677 -5.610 -1.345 136 HD1 HIS2028 1HD HIS2028 -10.982 -3.679 -3.523 137 HD2 HIS2028 2HD HIS2028 -10.935 -5.134 0.411 138 HE1 HIS2028 1HE HIS2028 -13.391 -3.556 -2.687 139 HE2 HIS2028 2HE HIS2028 -13.306 -4.463 -0.259 140 H GLU2029 H GLU2029 -9.014 -4.304 1.086 141 HA GLU2029 HA GLU2029 -10.876 -2.335 1.527 142 HB2 GLU2029 1HB GLU2029 -11.080 -3.225 3.704 143 HB3 GLU2029 2HB GLU2029 -10.525 -4.597 2.730 144 HG2 GLU2029 1HG GLU2029 -9.041 -4.769 4.487 145 HG3 GLU2029 2HG GLU2029 -8.115 -3.646 3.479 146 HE2 GLU2029 HE GLU2029 -8.556 -2.436 6.964 147 H GLY2030 H GLY2030 -7.366 -2.447 2.194 148 HA2 GLY2030 2HA GLY2030 -7.148 -0.314 3.970 149 HA3 GLY2030 3HA GLY2030 -5.913 -0.865 2.853 150 H LEU2031 H LEU2031 -6.496 -0.254 0.386 151 HA LEU2031 HA LEU2031 -6.381 2.529 0.264 152 HB2 LEU2031 1HB LEU2031 -7.089 0.619 -1.954 153 HB3 LEU2031 2HB LEU2031 -6.397 2.243 -2.112 154 HG LEU2031 HG LEU2031 -5.110 -0.352 -1.424 155 HD11 LEU2031 1HD1 LEU2031 -4.743 1.892 -3.298 156 HD12 LEU2031 2HD1 LEU2031 -3.238 1.227 -2.620 157 HD13 LEU2031 3HD1 LEU2031 -4.374 0.159 -3.480 158 HD21 LEU2031 3HD2 LEU2031 -4.473 2.228 -0.051 159 HD22 LEU2031 1HD2 LEU2031 -4.423 0.558 0.563 160 HD23 LEU2031 2HD2 LEU2031 -3.140 1.147 -0.520 161 H GLU2032 H GLU2032 -9.081 0.236 0.253 162 HA GLU2032 HA GLU2032 -10.986 1.764 -0.961 163 HB2 GLU2032 1HB GLU2032 -10.909 -0.487 0.944 164 HB3 GLU2032 2HB GLU2032 -12.394 0.473 1.052 165 HG2 GLU2032 1HG GLU2032 -11.268 -0.532 -1.587 166 HG3 GLU2032 2HG GLU2032 -12.397 -1.493 -0.618 167 HE2 GLU2032 HE GLU2032 -13.742 1.353 -2.942 168 H GLU2033 H GLU2033 -10.047 1.672 2.545 169 HA GLU2033 HA GLU2033 -11.844 3.800 3.125 170 HB2 GLU2033 1HB GLU2033 -10.998 1.826 4.643 171 HB3 GLU2033 2HB GLU2033 -9.637 2.905 4.987 172 HG2 GLU2033 1HG GLU2033 -10.983 4.462 6.080 173 HG3 GLU2033 2HG GLU2033 -12.439 4.008 5.178 174 HE2 GLU2033 HE GLU2033 -11.766 2.438 8.686 175 H ALA2034 H ALA2034 -8.258 3.363 2.880 176 HA ALA2034 HA ALA2034 -7.514 5.918 3.615 177 HB1 ALA2034 3HB ALA2034 -5.858 4.223 3.419 178 HB2 ALA2034 1HB ALA2034 -6.322 3.848 1.743 179 HB3 ALA2034 2HB ALA2034 -5.494 5.380 2.117 180 H SER2035 H SER2035 -8.520 4.597 0.405 181 HA SER2035 HA SER2035 -8.059 7.053 -0.895 182 HB2 SER2035 1HB SER2035 -9.762 4.673 -1.729 183 HB3 SER2035 2HB SER2035 -9.233 5.979 -2.804 184 HG SER2035 HG SER2035 -7.239 5.134 -2.895 185 H ARG2036 H ARG2036 -10.963 5.325 0.402 186 HA ARG2036 HA ARG2036 -12.887 6.979 -0.519 187 HB2 ARG2036 1HB ARG2036 -12.548 5.177 1.825 188 HB3 ARG2036 2HB ARG2036 -13.846 6.370 2.000 189 HG2 ARG2036 1HG ARG2036 -14.800 5.619 -0.170 190 HG3 ARG2036 2HG ARG2036 -13.510 4.415 -0.325 191 HD2 ARG2036 1HD ARG2036 -15.002 3.029 0.704 192 HD3 ARG2036 2HD ARG2036 -14.492 3.839 2.191 193 HE ARG2036 HE ARG2036 -16.681 5.147 0.701 194 HH11 ARG2036 2HH2 ARG2036 -15.805 2.941 3.329 195 HH12 ARG2036 1HH2 ARG2036 -17.329 3.099 4.137 196 H LEU2037 H LEU2037 -10.997 7.259 2.575 197 HA LEU2037 HA LEU2037 -12.240 9.673 3.350 198 HB2 LEU2037 1HB LEU2037 -10.716 9.697 5.119 199 HB3 LEU2037 2HB LEU2037 -11.133 7.999 4.837 200 HG LEU2037 HG LEU2037 -8.912 8.057 3.397 201 HD11 LEU2037 1HD1 LEU2037 -7.231 9.516 4.692 202 HD12 LEU2037 2HD1 LEU2037 -8.271 10.295 3.475 203 HD13 LEU2037 3HD1 LEU2037 -8.657 10.449 5.205 204 HD21 LEU2037 3HD2 LEU2037 -8.916 7.932 6.425 205 HD22 LEU2037 1HD2 LEU2037 -9.328 6.601 5.316 206 HD23 LEU2037 2HD2 LEU2037 -7.673 7.254 5.346 207 H TYR2038 H TYR2038 -9.305 8.824 1.466 208 HA TYR2038 HA TYR2038 -8.184 11.374 1.392 209 HB2 TYR2038 1HB TYR2038 -7.022 9.323 0.682 210 HB3 TYR2038 2HB TYR2038 -8.297 8.934 -0.477 211 HD1 TYR2038 2HD TYR2038 -5.481 11.256 0.231 212 HD2 TYR2038 1HD TYR2038 -8.226 9.783 -2.703 213 HE1 TYR2038 2HE TYR2038 -4.161 12.423 -1.603 214 HE2 TYR2038 1HE TYR2038 -6.896 10.955 -4.525 215 HH TYR2038 HH TYR2038 -3.965 11.814 -4.345 216 H PHE2039 H PHE2039 -10.352 9.707 -1.007 217 HA PHE2039 HA PHE2039 -10.572 12.068 -2.576 218 HB2 PHE2039 1HB PHE2039 -11.990 9.361 -2.362 219 HB3 PHE2039 2HB PHE2039 -12.478 10.548 -3.576 220 HD1 PHE2039 1HD PHE2039 -10.511 11.429 -5.092 221 HD2 PHE2039 2HD PHE2039 -10.411 7.785 -2.919 222 HE1 PHE2039 1HE PHE2039 -8.737 10.555 -6.639 223 HE2 PHE2039 2HE PHE2039 -8.637 6.912 -4.465 224 HZ PHE2039 HZ PHE2039 -7.821 8.307 -6.306 225 H GLY2040 H GLY2040 -12.641 10.367 -0.154 226 HA2 GLY2040 2HA GLY2040 -14.909 12.016 -0.467 227 HA3 GLY2040 3HA GLY2040 -14.521 10.999 0.907 228 H GLU2041 H GLU2041 -11.994 12.174 1.670 229 HA GLU2041 HA GLU2041 -12.982 14.774 2.549 230 HB2 GLU2041 1HB GLU2041 -11.881 12.517 3.983 231 HB3 GLU2041 2HB GLU2041 -10.847 13.934 4.238 232 HG2 GLU2041 1HG GLU2041 -13.870 14.070 4.505 233 HG3 GLU2041 2HG GLU2041 -12.844 13.586 5.864 234 HE2 GLU2041 HE GLU2041 -11.620 16.785 6.364 235 H ARG2042 H ARG2042 -10.516 15.750 3.623 236 HA ARG2042 HA ARG2042 -8.868 15.810 1.226 237 HB2 ARG2042 1HB ARG2042 -8.442 18.286 2.409 238 HB3 ARG2042 2HB ARG2042 -9.520 17.998 1.031 239 HG2 ARG2042 1HG ARG2042 -10.695 19.243 2.785 240 HG3 ARG2042 2HG ARG2042 -11.411 17.629 2.628 241 HD2 ARG2042 1HD ARG2042 -11.138 17.514 4.884 242 HD3 ARG2042 2HD ARG2042 -9.433 17.205 4.528 243 HE ARG2042 HE ARG2042 -10.624 19.733 5.497 244 HH11 ARG2042 2HH2 ARG2042 -7.757 18.118 4.187 245 HH12 ARG2042 1HH2 ARG2042 -6.663 19.346 4.734 246 H ASN2043 H ASN2043 -8.812 14.338 3.939 247 HA ASN2043 HA ASN2043 -6.278 15.438 4.869 248 HB2 ASN2043 1HB ASN2043 -8.635 14.246 6.245 249 HB3 ASN2043 2HB ASN2043 -7.075 13.667 6.849 250 HD21 ASN2043 1HD2 ASN2043 -7.398 14.691 8.816 251 HD22 ASN2043 2HD2 ASN2043 -7.235 16.403 9.029 252 H VAL2044 H VAL2044 -4.768 14.221 3.644 253 HA VAL2044 HA VAL2044 -5.223 11.524 2.936 254 HB VAL2044 HB VAL2044 -2.836 11.633 2.235 255 HG11 VAL2044 1HG1 VAL2044 -5.085 12.966 1.181 256 HG12 VAL2044 2HG1 VAL2044 -3.722 14.100 1.013 257 HG13 VAL2044 3HG1 VAL2044 -3.614 12.466 0.316 258 HG21 VAL2044 3HG2 VAL2044 -1.421 13.321 2.764 259 HG22 VAL2044 1HG2 VAL2044 -2.702 14.557 2.716 260 HG23 VAL2044 2HG2 VAL2044 -2.514 13.524 4.154 261 H LYS2045 H LYS2045 -4.376 13.043 5.886 262 HA LYS2045 HA LYS2045 -2.479 11.400 6.975 263 HB2 LYS2045 1HB LYS2045 -3.285 12.118 9.107 264 HB3 LYS2045 2HB LYS2045 -3.419 13.478 7.976 265 HG2 LYS2045 1HG LYS2045 -5.538 13.620 8.808 266 HG3 LYS2045 2HG LYS2045 -5.882 12.313 7.662 267 HD2 LYS2045 1HD LYS2045 -6.288 10.858 9.340 268 HD3 LYS2045 2HD LYS2045 -4.771 11.267 10.159 269 HE2 LYS2045 1HE LYS2045 -5.833 13.218 11.204 270 HE3 LYS2045 2HE LYS2045 -7.334 12.924 10.312 271 HZ1 LYS2045 2HZ LYS2045 -7.735 10.999 11.578 272 HZ3 LYS2045 1HZ LYS2045 -7.158 12.034 12.695 273 H GLY2046 H GLY2046 -5.974 10.817 6.447 274 HA2 GLY2046 2HA GLY2046 -6.292 8.544 8.019 275 HA3 GLY2046 3HA GLY2046 -7.200 8.940 6.573 276 H MET2047 H MET2047 -5.462 8.795 4.481 277 HA MET2047 HA MET2047 -5.235 6.110 4.045 278 HB2 MET2047 1HB MET2047 -5.225 7.550 2.153 279 HB3 MET2047 2HB MET2047 -3.958 8.592 2.825 280 HG2 MET2047 1HG MET2047 -3.345 5.695 2.208 281 HG3 MET2047 2HG MET2047 -3.392 6.863 0.884 282 HE1 MET2047 3HE MET2047 -0.861 9.422 1.613 283 HE2 MET2047 1HE MET2047 -2.621 9.223 1.430 284 HE3 MET2047 2HE MET2047 -1.928 9.578 3.030 285 H PHE2048 H PHE2048 -2.804 8.451 5.297 286 HA PHE2048 HA PHE2048 -0.631 6.675 5.184 287 HB2 PHE2048 1HB PHE2048 -1.417 9.179 6.753 288 HB3 PHE2048 2HB PHE2048 0.149 8.412 7.037 289 HD1 PHE2048 2HD PHE2048 0.911 7.652 4.287 290 HD2 PHE2048 1HD PHE2048 -0.905 11.200 5.743 291 HE1 PHE2048 2HE PHE2048 1.871 8.936 2.356 292 HE2 PHE2048 1HE PHE2048 0.056 12.485 3.812 293 HZ PHE2048 HZ PHE2048 1.432 11.338 2.142 294 H GLU2049 H GLU2049 -3.113 7.413 7.682 295 HA GLU2049 HA GLU2049 -1.797 5.828 9.628 296 HB2 GLU2049 1HB GLU2049 -4.620 6.961 9.517 297 HB3 GLU2049 2HB GLU2049 -3.896 6.211 10.950 298 HG2 GLU2049 1HG GLU2049 -2.306 7.958 11.190 299 HG3 GLU2049 2HG GLU2049 -2.548 8.538 9.534 300 HE2 GLU2049 HE GLU2049 -4.330 10.665 11.942 301 H VAL2050 H VAL2050 -3.701 5.153 6.857 302 HA VAL2050 HA VAL2050 -4.941 2.788 7.948 303 HB VAL2050 HB VAL2050 -4.869 4.146 5.263 304 HG11 VAL2050 1HG1 VAL2050 -4.821 1.820 4.692 305 HG12 VAL2050 2HG1 VAL2050 -6.029 1.426 5.939 306 HG13 VAL2050 3HG1 VAL2050 -6.504 2.376 4.511 307 HG21 VAL2050 3HG2 VAL2050 -7.052 4.769 5.683 308 HG22 VAL2050 1HG2 VAL2050 -7.341 3.416 6.801 309 HG23 VAL2050 2HG2 VAL2050 -6.365 4.808 7.325 310 H LEU2051 H LEU2051 -2.259 3.678 5.698 311 HA LEU2051 HA LEU2051 -1.582 0.938 5.256 312 HB2 LEU2051 1HB LEU2051 -0.162 3.515 4.606 313 HB3 LEU2051 2HB LEU2051 0.356 1.908 4.065 314 HG LEU2051 HG LEU2051 -1.112 1.887 2.375 315 HD11 LEU2051 1HD1 LEU2051 -3.230 3.303 4.011 316 HD12 LEU2051 2HD1 LEU2051 -3.446 2.360 2.516 317 HD13 LEU2051 3HD1 LEU2051 -2.973 1.540 4.025 318 HD21 LEU2051 3HD2 LEU2051 -0.091 4.257 2.438 319 HD22 LEU2051 1HD2 LEU2051 -1.476 3.951 1.362 320 HD23 LEU2051 2HD2 LEU2051 -1.721 4.786 2.914 321 H GLU2052 H GLU2052 -0.302 3.681 7.230 322 HA GLU2052 HA GLU2052 1.964 2.776 8.162 323 HB2 GLU2052 1HB GLU2052 -0.191 4.406 9.220 324 HB3 GLU2052 2HB GLU2052 0.620 3.543 10.539 325 HG2 GLU2052 1HG GLU2052 2.291 4.889 8.422 326 HG3 GLU2052 2HG GLU2052 1.526 5.898 9.660 327 HE2 GLU2052 HE GLU2052 4.128 5.213 11.750 328 HA PRO2053 HA PRO2053 -0.084 -0.301 11.126 329 HB2 PRO2053 1HB PRO2053 -2.783 -0.716 11.031 330 HB3 PRO2053 2HB PRO2053 -2.017 0.389 12.170 331 HG2 PRO2053 1HG PRO2053 -3.511 0.957 9.692 332 HG3 PRO2053 2HG PRO2053 -3.163 2.061 11.069 333 HD2 PRO2053 1HD PRO2053 -1.937 2.000 8.482 334 HD3 PRO2053 2HD PRO2053 -1.449 3.000 9.858 335 H LEU2054 H LEU2054 -2.089 -0.317 8.216 336 HA LEU2054 HA LEU2054 -2.238 -3.023 7.893 337 HB2 LEU2054 1HB LEU2054 -2.162 -0.723 5.978 338 HB3 LEU2054 2HB LEU2054 -2.299 -2.391 5.390 339 HG LEU2054 HG LEU2054 -4.218 -1.121 7.361 340 HD11 LEU2054 1HD1 LEU2054 -4.089 -0.006 5.060 341 HD12 LEU2054 2HD1 LEU2054 -4.780 -1.518 4.425 342 HD13 LEU2054 3HD1 LEU2054 -5.684 -0.561 5.623 343 HD21 LEU2054 3HD2 LEU2054 -3.859 -3.732 7.009 344 HD22 LEU2054 1HD2 LEU2054 -5.470 -3.021 7.267 345 HD23 LEU2054 2HD2 LEU2054 -4.933 -3.435 5.621 346 H HIS2055 H HIS2055 0.301 -0.814 6.523 347 HA HIS2055 HA HIS2055 1.827 -2.851 5.433 348 HB2 HIS2055 1HB HIS2055 2.469 -0.053 6.354 349 HB3 HIS2055 2HB HIS2055 3.694 -1.098 5.627 350 HD1 HIS2055 1HD HIS2055 2.815 1.551 4.261 351 HD2 HIS2055 2HD HIS2055 1.165 -2.209 3.408 352 HE1 HIS2055 1HE HIS2055 1.822 1.722 1.916 353 HE2 HIS2055 2HE HIS2055 0.815 -0.621 1.441 354 H ALA2056 H ALA2056 2.138 -1.145 8.625 355 HA ALA2056 HA ALA2056 4.328 -2.502 9.565 356 HB1 ALA2056 3HB ALA2056 1.874 -1.422 11.002 357 HB2 ALA2056 1HB ALA2056 3.362 -1.942 11.826 358 HB3 ALA2056 2HB ALA2056 3.405 -0.570 10.692 359 H MET2057 H MET2057 0.828 -3.412 9.729 360 HA MET2057 HA MET2057 1.073 -5.624 11.282 361 HB2 MET2057 1HB MET2057 -1.147 -5.713 10.763 362 HB3 MET2057 2HB MET2057 -0.879 -4.399 9.606 363 HG2 MET2057 1HG MET2057 -0.370 -6.054 7.836 364 HG3 MET2057 2HG MET2057 -0.562 -7.378 8.988 365 HE1 MET2057 3HE MET2057 -3.679 -6.957 6.341 366 HE2 MET2057 1HE MET2057 -2.089 -6.192 6.106 367 HE3 MET2057 2HE MET2057 -2.190 -7.890 6.630 368 H MET2058 H MET2058 1.698 -5.261 7.759 369 HA MET2058 HA MET2058 2.002 -8.014 7.311 370 HB2 MET2058 1HB MET2058 3.153 -5.622 5.785 371 HB3 MET2058 2HB MET2058 2.937 -7.253 5.124 372 HG2 MET2058 1HG MET2058 0.395 -6.706 6.019 373 HG3 MET2058 2HG MET2058 0.935 -5.083 5.578 374 HE1 MET2058 3HE MET2058 -0.635 -8.396 3.465 375 HE2 MET2058 1HE MET2058 -1.085 -7.348 4.832 376 HE3 MET2058 2HE MET2058 -1.460 -6.846 3.166 377 H GLU2059 H GLU2059 4.159 -5.402 8.402 378 HA GLU2059 HA GLU2059 6.534 -6.820 7.873 379 HB2 GLU2059 1HB GLU2059 6.124 -4.587 9.893 380 HB3 GLU2059 2HB GLU2059 7.637 -5.032 9.084 381 HG2 GLU2059 1HG GLU2059 5.199 -3.635 7.973 382 HG3 GLU2059 2HG GLU2059 6.900 -3.160 7.849 383 HE2 GLU2059 HE GLU2059 7.446 -5.034 5.018 384 H ARG2060 H ARG2060 4.898 -5.952 11.012 385 HA ARG2060 HA ARG2060 6.475 -7.821 12.404 386 HB2 ARG2060 1HB ARG2060 5.041 -7.227 14.338 387 HB3 ARG2060 2HB ARG2060 5.555 -5.767 13.473 388 HG2 ARG2060 1HG ARG2060 3.366 -5.766 12.264 389 HG3 ARG2060 2HG ARG2060 2.856 -7.175 13.211 390 HD2 ARG2060 1HD ARG2060 3.075 -5.863 15.291 391 HD3 ARG2060 2HD ARG2060 3.651 -4.460 14.376 392 HE ARG2060 HE ARG2060 1.157 -5.259 13.268 393 HH11 ARG2060 2HH2 ARG2060 2.398 -3.911 16.302 394 HH12 ARG2060 1HH2 ARG2060 0.920 -3.094 16.687 395 H GLY2061 H GLY2061 3.551 -7.976 10.522 396 HA2 GLY2061 2HA GLY2061 2.851 -10.585 11.729 397 HA3 GLY2061 3HA GLY2061 1.707 -9.488 10.982 398 HA PRO2062 HA PRO2062 4.345 -11.463 7.550 399 HB2 PRO2062 1HB PRO2062 5.894 -13.623 8.187 400 HB3 PRO2062 2HB PRO2062 6.529 -11.984 8.068 401 HG2 PRO2062 1HG PRO2062 5.891 -13.602 10.451 402 HG3 PRO2062 2HG PRO2062 6.965 -12.162 10.326 403 HD2 PRO2062 1HD PRO2062 4.323 -12.324 11.419 404 HD3 PRO2062 2HD PRO2062 5.275 -10.853 11.173 405 H GLN2063 H GLN2063 4.719 -14.123 6.762 406 HA GLN2063 HA GLN2063 2.249 -15.360 7.612 407 HB2 GLN2063 1HB GLN2063 1.633 -14.021 5.641 408 HB3 GLN2063 2HB GLN2063 2.912 -14.794 4.690 409 HG2 GLN2063 1HG GLN2063 1.296 -16.265 4.082 410 HG3 GLN2063 2HG GLN2063 1.534 -16.982 5.682 411 HE21 GLN2063 1HE2 GLN2063 -0.529 -17.649 5.986 412 HE22 GLN2063 2HE2 GLN2063 -1.886 -16.593 6.197 413 H THR2064 H THR2064 4.584 -15.859 4.872 414 HA THR2064 HA THR2064 5.949 -17.968 6.207 415 HB THR2064 HB THR2064 4.069 -19.369 5.830 416 HG1 THR2064 1HG THR2064 4.820 -20.591 3.905 417 HG21 THR2064 3HG2 THR2064 2.908 -17.588 4.294 418 HG22 THR2064 1HG2 THR2064 3.804 -18.363 2.965 419 HG23 THR2064 2HG2 THR2064 2.630 -19.305 3.915 420 H LEU2065 H LEU2065 7.555 -19.039 4.730 421 HA LEU2065 HA LEU2065 9.025 -17.134 3.419 422 HB2 LEU2065 1HB LEU2065 9.090 -19.965 3.874 423 HB3 LEU2065 2HB LEU2065 9.633 -19.607 2.226 424 HG LEU2065 HG LEU2065 11.557 -19.681 3.609 425 HD11 LEU2065 1HD1 LEU2065 11.817 -16.889 3.743 426 HD12 LEU2065 2HD1 LEU2065 12.332 -17.972 2.428 427 HD13 LEU2065 3HD1 LEU2065 10.725 -17.207 2.374 428 HD21 LEU2065 3HD2 LEU2065 9.819 -18.752 5.642 429 HD22 LEU2065 1HD2 LEU2065 11.512 -19.285 5.789 430 HD23 LEU2065 2HD2 LEU2065 11.141 -17.569 5.502 431 H LYS2066 H LYS2066 6.230 -18.986 2.317 432 HA LYS2066 HA LYS2066 6.706 -18.560 -0.451 433 HB2 LYS2066 1HB LYS2066 5.375 -20.423 0.451 434 HB3 LYS2066 2HB LYS2066 4.142 -19.276 1.003 435 HG2 LYS2066 1HG LYS2066 3.195 -19.513 -1.031 436 HG3 LYS2066 2HG LYS2066 4.556 -18.589 -1.689 437 HD2 LYS2066 1HD LYS2066 4.671 -21.596 -1.262 438 HD3 LYS2066 2HD LYS2066 4.067 -20.885 -2.769 439 HE2 LYS2066 1HE LYS2066 6.441 -19.517 -2.390 440 HE3 LYS2066 2HE LYS2066 6.846 -21.115 -1.746 441 HZ1 LYS2066 2HZ LYS2066 5.712 -21.887 -3.957 442 HZ3 LYS2066 1HZ LYS2066 7.255 -21.370 -3.997 443 H GLU2067 H GLU2067 4.789 -16.912 2.123 444 HA GLU2067 HA GLU2067 3.816 -15.000 0.259 445 HB2 GLU2067 1HB GLU2067 3.271 -15.809 2.968 446 HB3 GLU2067 2HB GLU2067 3.509 -14.054 2.944 447 HG2 GLU2067 1HG GLU2067 1.886 -15.020 0.688 448 HG3 GLU2067 2HG GLU2067 1.163 -15.419 2.254 449 HE2 GLU2067 HE GLU2067 1.410 -11.628 1.028 450 H THR2068 H THR2068 6.705 -15.448 2.140 451 HA THR2068 HA THR2068 7.422 -12.844 2.749 452 HB THR2068 HB THR2068 8.927 -15.409 2.087 453 HG1 THR2068 1HG THR2068 8.251 -15.483 4.204 454 HG21 THR2068 3HG2 THR2068 10.275 -13.068 3.439 455 HG22 THR2068 1HG2 THR2068 11.005 -14.420 2.540 456 HG23 THR2068 2HG2 THR2068 10.226 -13.082 1.661 457 H SER2069 H SER2069 7.241 -14.474 -0.370 458 HA SER2069 HA SER2069 9.008 -12.756 -1.688 459 HB2 SER2069 1HB SER2069 7.577 -15.055 -2.307 460 HB3 SER2069 2HB SER2069 6.810 -13.833 -3.337 461 HG SER2069 HG SER2069 9.672 -14.032 -3.198 462 H PHE2070 H PHE2070 5.520 -12.658 -0.895 463 HA PHE2070 HA PHE2070 4.838 -10.569 -2.633 464 HB2 PHE2070 1HB PHE2070 3.252 -12.121 -1.482 465 HB3 PHE2070 2HB PHE2070 3.776 -11.521 0.095 466 HD1 PHE2070 1HD PHE2070 3.056 -9.318 0.868 467 HD2 PHE2070 2HD PHE2070 1.729 -10.866 -2.852 468 HE1 PHE2070 1HE PHE2070 1.238 -7.587 0.796 469 HE2 PHE2070 2HE PHE2070 -0.088 -9.136 -2.924 470 HZ PHE2070 HZ PHE2070 -0.313 -7.518 -1.100 471 H ASN2071 H ASN2071 5.644 -10.590 0.913 472 HA ASN2071 HA ASN2071 5.417 -7.848 1.196 473 HB2 ASN2071 1HB ASN2071 5.600 -9.732 2.989 474 HB3 ASN2071 2HB ASN2071 7.354 -9.584 2.795 475 HD21 ASN2071 1HD2 ASN2071 7.466 -8.947 4.979 476 HD22 ASN2071 2HD2 ASN2071 7.085 -7.334 5.486 477 H GLN2072 H GLN2072 7.979 -9.997 -0.011 478 HA GLN2072 HA GLN2072 10.031 -8.051 0.250 479 HB2 GLN2072 1HB GLN2072 9.769 -10.831 -0.811 480 HB3 GLN2072 2HB GLN2072 11.101 -9.861 -1.460 481 HG2 GLN2072 1HG GLN2072 11.377 -9.310 1.186 482 HG3 GLN2072 2HG GLN2072 10.664 -10.924 1.308 483 HE21 GLN2072 1HE2 GLN2072 13.461 -9.173 1.012 484 HE22 GLN2072 2HE2 GLN2072 14.550 -10.390 0.436 485 H ALA2073 H ALA2073 8.152 -9.507 -2.497 486 HA ALA2073 HA ALA2073 9.249 -8.239 -4.603 487 HB1 ALA2073 3HB ALA2073 6.252 -8.499 -4.163 488 HB2 ALA2073 1HB ALA2073 7.137 -8.554 -5.707 489 HB3 ALA2073 2HB ALA2073 7.311 -9.881 -4.532 490 H TYR2074 H TYR2074 6.744 -6.877 -2.361 491 HA TYR2074 HA TYR2074 7.130 -4.272 -3.618 492 HB2 TYR2074 1HB TYR2074 5.299 -5.272 -1.358 493 HB3 TYR2074 2HB TYR2074 5.083 -3.769 -2.261 494 HD1 TYR2074 1HD TYR2074 5.365 -4.581 -5.044 495 HD2 TYR2074 2HD TYR2074 3.483 -6.641 -1.801 496 HE1 TYR2074 1HE TYR2074 3.860 -5.807 -6.687 497 HE2 TYR2074 2HE TYR2074 1.983 -7.859 -3.454 498 HH TYR2074 HH TYR2074 1.899 -8.465 -5.695 499 H GLY2075 H GLY2075 8.267 -6.147 -0.950 500 HA2 GLY2075 2HA GLY2075 8.486 -4.562 1.201 501 HA3 GLY2075 3HA GLY2075 9.792 -5.580 0.628 502 H ARG2076 H ARG2076 10.355 -4.221 -1.875 503 HA ARG2076 HA ARG2076 11.907 -2.114 -0.787 504 HB2 ARG2076 1HB ARG2076 12.809 -3.597 -2.536 505 HB3 ARG2076 2HB ARG2076 11.542 -3.089 -3.665 506 HG2 ARG2076 1HG ARG2076 13.082 -0.858 -2.475 507 HG3 ARG2076 2HG ARG2076 14.063 -1.953 -3.466 508 HD2 ARG2076 1HD ARG2076 11.403 -0.911 -4.475 509 HD3 ARG2076 2HD ARG2076 12.857 0.089 -4.611 510 HE ARG2076 HE ARG2076 13.686 -2.313 -5.656 511 HH11 ARG2076 2HH2 ARG2076 10.860 -0.279 -6.323 512 HH12 ARG2076 1HH2 ARG2076 10.731 -0.785 -7.975 513 H ASP2077 H ASP2077 9.310 -2.406 -3.318 514 HA ASP2077 HA ASP2077 9.128 0.191 -4.022 515 HB2 ASP2077 1HB ASP2077 6.932 -1.880 -3.627 516 HB3 ASP2077 2HB ASP2077 6.651 -0.332 -4.440 517 HD2 ASP2077 HD ASP2077 7.959 -1.402 -7.407 518 H LEU2078 H LEU2078 7.250 -1.555 -1.425 519 HA LEU2078 HA LEU2078 5.822 0.589 -0.475 520 HB2 LEU2078 1HB LEU2078 6.896 -1.858 0.905 521 HB3 LEU2078 2HB LEU2078 5.761 -0.726 1.664 522 HG LEU2078 HG LEU2078 5.299 -2.515 -0.731 523 HD11 LEU2078 1HD1 LEU2078 4.951 -2.921 2.019 524 HD12 LEU2078 2HD1 LEU2078 3.320 -2.617 1.376 525 HD13 LEU2078 3HD1 LEU2078 4.321 -3.916 0.685 526 HD21 LEU2078 3HD2 LEU2078 2.983 -1.554 -0.756 527 HD22 LEU2078 1HD2 LEU2078 3.570 -0.266 0.324 528 HD23 LEU2078 2HD2 LEU2078 4.260 -0.443 -1.306 529 H MET2079 H MET2079 9.211 -0.386 0.139 530 HA MET2079 HA MET2079 9.638 1.292 2.297 531 HB2 MET2079 1HB MET2079 11.072 -0.608 1.014 532 HB3 MET2079 2HB MET2079 11.826 0.806 0.260 533 HG2 MET2079 1HG MET2079 11.683 1.407 3.026 534 HG3 MET2079 2HG MET2079 12.191 -0.284 2.953 535 HE1 MET2079 3HE MET2079 14.336 3.269 0.939 536 HE2 MET2079 1HE MET2079 12.777 2.646 0.346 537 HE3 MET2079 2HE MET2079 12.883 3.382 1.964 538 H GLU2080 H GLU2080 10.106 1.816 -1.257 539 HA GLU2080 HA GLU2080 11.197 4.347 -0.999 540 HB2 GLU2080 1HB GLU2080 11.380 3.052 -3.051 541 HB3 GLU2080 2HB GLU2080 9.624 3.086 -3.284 542 HG2 GLU2080 1HG GLU2080 9.622 5.339 -3.896 543 HG3 GLU2080 2HG GLU2080 11.120 5.698 -3.022 544 HE2 GLU2080 HE GLU2080 11.750 5.549 -6.629 545 H ALA2081 H ALA2081 7.790 3.294 -1.706 546 HA ALA2081 HA ALA2081 6.664 5.798 -1.869 547 HB1 ALA2081 3HB ALA2081 5.520 3.190 -0.789 548 HB2 ALA2081 1HB ALA2081 4.556 4.607 -1.273 549 HB3 ALA2081 2HB ALA2081 5.516 3.727 -2.487 550 H GLN2082 H GLN2082 7.500 3.800 0.999 551 HA GLN2082 HA GLN2082 6.163 5.388 2.839 552 HB2 GLN2082 1HB GLN2082 6.941 3.113 3.326 553 HB3 GLN2082 2HB GLN2082 8.632 3.629 3.191 554 HG2 GLN2082 1HG GLN2082 8.475 3.911 5.447 555 HG3 GLN2082 2HG GLN2082 7.668 5.433 5.039 556 HE21 GLN2082 1HE2 GLN2082 7.498 2.715 6.854 557 HE22 GLN2082 2HE2 GLN2082 5.793 2.592 7.134 558 H GLU2083 H GLU2083 9.460 5.542 1.419 559 HA GLU2083 HA GLU2083 10.457 7.447 3.163 560 HB2 GLU2083 1HB GLU2083 12.301 7.004 1.971 561 HB3 GLU2083 2HB GLU2083 11.329 6.049 0.839 562 HG2 GLU2083 1HG GLU2083 10.836 8.109 -0.454 563 HG3 GLU2083 2HG GLU2083 11.804 9.062 0.678 564 HE2 GLU2083 HE GLU2083 14.182 8.463 -1.818 565 H TRP2084 H TRP2084 8.557 7.695 0.125 566 HA TRP2084 HA TRP2084 8.836 10.509 -0.097 567 HB2 TRP2084 1HB TRP2084 6.872 8.557 -1.294 568 HB3 TRP2084 2HB TRP2084 6.950 10.269 -1.712 569 HD1 TRP2084 HD TRP2084 8.580 6.956 -2.528 570 HE1 TRP2084 1HE TRP2084 10.493 7.197 -4.329 571 HE3 TRP2084 3HE TRP2084 8.795 12.035 -2.388 572 HZ2 TRP2084 2HZ TRP2084 11.852 9.433 -5.466 573 HZ3 TRP2084 3HZ TRP2084 10.443 13.168 -3.875 574 HH2 TRP2084 HH TRP2084 11.939 11.950 -5.378 575 H CYS2085 H CYS2085 6.707 8.235 1.631 576 HA CYS2085 HA CYS2085 4.610 9.978 2.155 577 HB2 CYS2085 1HB CYS2085 5.660 7.565 3.637 578 HB3 CYS2085 2HB CYS2085 4.199 8.434 4.137 579 HG CYS2085 HG CYS2085 3.713 6.180 2.739 580 H ARG2086 H ARG2086 7.608 9.135 4.033 581 HA ARG2086 HA ARG2086 7.080 10.841 6.132 582 HB2 ARG2086 1HB ARG2086 9.427 9.367 5.047 583 HB3 ARG2086 2HB ARG2086 9.843 10.757 6.064 584 HG2 ARG2086 1HG ARG2086 9.650 9.142 7.697 585 HG3 ARG2086 2HG ARG2086 7.959 9.673 7.650 586 HD2 ARG2086 1HD ARG2086 8.009 7.766 5.654 587 HD3 ARG2086 2HD ARG2086 9.179 7.095 6.803 588 HE ARG2086 HE ARG2086 6.311 7.236 7.138 589 HH11 ARG2086 2HH2 ARG2086 9.335 7.452 8.969 590 HH12 ARG2086 1HH2 ARG2086 8.614 6.943 10.459 591 H LYS2087 H LYS2087 8.820 11.305 3.008 592 HA LYS2087 HA LYS2087 9.972 13.751 3.486 593 HB2 LYS2087 1HB LYS2087 8.936 12.370 1.033 594 HB3 LYS2087 2HB LYS2087 9.580 14.018 0.921 595 HG2 LYS2087 1HG LYS2087 11.714 13.308 1.812 596 HG3 LYS2087 2HG LYS2087 11.089 11.697 2.205 597 HD2 LYS2087 1HD LYS2087 11.734 11.000 0.167 598 HD3 LYS2087 2HD LYS2087 10.566 12.113 -0.567 599 HE2 LYS2087 1HE LYS2087 12.513 12.893 -1.542 600 HE3 LYS2087 2HE LYS2087 12.519 13.893 -0.080 601 HZ1 LYS2087 2HZ LYS2087 14.227 12.658 0.807 602 HZ3 LYS2087 1HZ LYS2087 14.597 12.434 -0.763 603 H TYR2088 H TYR2088 6.640 13.016 2.258 604 HA TYR2088 HA TYR2088 5.900 15.744 2.140 605 HB2 TYR2088 1HB TYR2088 4.792 13.973 0.836 606 HB3 TYR2088 2HB TYR2088 4.486 13.018 2.291 607 HD1 TYR2088 2HD TYR2088 3.490 16.057 0.410 608 HD2 TYR2088 1HD TYR2088 2.536 13.404 3.628 609 HE1 TYR2088 2HE TYR2088 1.187 17.114 0.608 610 HE2 TYR2088 1HE TYR2088 0.235 14.471 3.814 611 HH TYR2088 HH TYR2088 -0.648 17.223 1.755 612 H MET2089 H MET2089 5.417 13.100 4.561 613 HA MET2089 HA MET2089 3.730 14.504 6.217 614 HB2 MET2089 1HB MET2089 5.769 12.281 6.607 615 HB3 MET2089 2HB MET2089 4.853 12.889 7.997 616 HG2 MET2089 1HG MET2089 2.975 12.455 5.884 617 HG3 MET2089 2HG MET2089 4.019 11.029 5.929 618 HE1 MET2089 3HE MET2089 1.186 12.655 6.838 619 HE2 MET2089 1HE MET2089 0.579 11.010 7.148 620 HE3 MET2089 2HE MET2089 0.647 12.198 8.472 621 H LYS2090 H LYS2090 7.346 14.220 6.275 622 HA LYS2090 HA LYS2090 7.687 15.807 8.556 623 HB2 LYS2090 1HB LYS2090 9.277 14.183 7.217 624 HB3 LYS2090 2HB LYS2090 9.782 15.683 6.424 625 HG2 LYS2090 1HG LYS2090 9.634 15.370 9.443 626 HG3 LYS2090 2HG LYS2090 11.102 14.999 8.522 627 HD2 LYS2090 1HD LYS2090 11.607 17.192 8.253 628 HD3 LYS2090 2HD LYS2090 9.939 17.629 7.845 629 HE2 LYS2090 1HE LYS2090 9.819 18.605 9.879 630 HE3 LYS2090 2HE LYS2090 9.840 16.982 10.585 631 HZ1 LYS2090 2HZ LYS2090 12.088 18.857 10.231 632 HZ3 LYS2090 1HZ LYS2090 12.392 17.260 10.345 633 H SER2091 H SER2091 8.129 16.633 5.040 634 HA SER2091 HA SER2091 6.734 18.975 5.178 635 HB2 SER2091 1HB SER2091 9.482 19.188 6.220 636 HB3 SER2091 2HB SER2091 9.143 20.347 4.921 637 HG SER2091 HG SER2091 7.652 19.979 7.378 638 H GLY2092 H GLY2092 6.537 17.253 3.258 639 HA2 GLY2092 2HA GLY2092 8.484 17.865 1.138 640 HA3 GLY2092 3HA GLY2092 7.383 16.504 1.188 641 H ASN2093 H ASN2093 6.205 16.805 -0.702 642 HA ASN2093 HA ASN2093 4.446 19.085 -0.643 643 HB2 ASN2093 1HB ASN2093 6.661 18.741 -2.543 644 HB3 ASN2093 2HB ASN2093 5.108 18.839 -3.385 645 HD21 ASN2093 1HD2 ASN2093 5.646 20.826 -4.267 646 HD22 ASN2093 2HD2 ASN2093 5.638 22.300 -3.357 647 H VAL2094 H VAL2094 2.575 18.724 -2.231 648 HA VAL2094 HA VAL2094 1.459 16.259 -2.019 649 HB VAL2094 HB VAL2094 0.666 18.635 -2.921 650 HG11 VAL2094 1HG1 VAL2094 0.110 18.555 -5.302 651 HG12 VAL2094 2HG1 VAL2094 1.871 18.437 -5.063 652 HG13 VAL2094 3HG1 VAL2094 0.926 16.980 -5.455 653 HG21 VAL2094 3HG2 VAL2094 -0.669 16.035 -3.744 654 HG22 VAL2094 1HG2 VAL2094 -0.753 16.760 -2.120 655 HG23 VAL2094 2HG2 VAL2094 -1.455 17.616 -3.515 656 H LYS2095 H LYS2095 3.676 17.492 -4.567 657 HA LYS2095 HA LYS2095 3.429 15.494 -6.410 658 HB2 LYS2095 1HB LYS2095 4.714 17.440 -6.864 659 HB3 LYS2095 2HB LYS2095 5.846 17.097 -5.544 660 HG2 LYS2095 1HG LYS2095 5.948 14.768 -7.039 661 HG3 LYS2095 2HG LYS2095 5.736 15.999 -8.296 662 HD2 LYS2095 1HD LYS2095 7.677 17.237 -7.432 663 HD3 LYS2095 2HD LYS2095 7.865 16.077 -6.106 664 HE2 LYS2095 1HE LYS2095 7.848 15.067 -8.946 665 HE3 LYS2095 2HE LYS2095 9.311 15.860 -8.341 666 HZ1 LYS2095 2HZ LYS2095 9.796 13.945 -7.308 667 HZ3 LYS2095 1HZ LYS2095 8.415 13.246 -7.813 668 H ASP2096 H ASP2096 5.360 15.528 -3.361 669 HA ASP2096 HA ASP2096 6.520 13.036 -3.841 670 HB2 ASP2096 1HB ASP2096 5.928 14.378 -1.169 671 HB3 ASP2096 2HB ASP2096 7.141 13.121 -1.452 672 HD2 ASP2096 HD ASP2096 7.890 16.855 -2.725 673 H LEU2097 H LEU2097 3.510 14.207 -2.271 674 HA LEU2097 HA LEU2097 2.826 11.808 -0.985 675 HB2 LEU2097 1HB LEU2097 1.807 13.722 -0.205 676 HB3 LEU2097 2HB LEU2097 1.349 14.279 -1.825 677 HG LEU2097 HG LEU2097 -0.473 12.807 -1.935 678 HD11 LEU2097 1HD1 LEU2097 -0.583 11.210 0.324 679 HD12 LEU2097 2HD1 LEU2097 -0.125 10.694 -1.319 680 HD13 LEU2097 3HD1 LEU2097 1.133 11.152 -0.146 681 HD21 LEU2097 3HD2 LEU2097 -1.147 13.078 0.805 682 HD22 LEU2097 1HD2 LEU2097 -0.169 14.497 0.357 683 HD23 LEU2097 2HD2 LEU2097 -1.639 14.100 -0.565 684 H THR2098 H THR2098 1.957 13.195 -4.216 685 HA THR2098 HA THR2098 0.297 11.066 -4.975 686 HB THR2098 HB THR2098 1.878 13.238 -6.416 687 HG1 THR2098 1HG THR2098 -0.145 13.565 -5.090 688 HG21 THR2098 3HG2 THR2098 0.126 11.020 -7.566 689 HG22 THR2098 1HG2 THR2098 0.251 12.611 -8.358 690 HG23 THR2098 2HG2 THR2098 1.700 11.598 -8.165 691 H GLN2099 H GLN2099 3.840 11.580 -5.290 692 HA GLN2099 HA GLN2099 4.312 9.456 -6.965 693 HB2 GLN2099 1HB GLN2099 5.819 11.376 -5.634 694 HB3 GLN2099 2HB GLN2099 6.412 9.861 -4.934 695 HG2 GLN2099 1HG GLN2099 6.132 9.449 -7.749 696 HG3 GLN2099 2HG GLN2099 6.956 11.002 -7.541 697 HE21 GLN2099 1HE2 GLN2099 8.822 10.066 -8.434 698 HE22 GLN2099 2HE2 GLN2099 9.872 9.041 -7.513 699 H ALA2100 H ALA2100 4.256 9.604 -3.342 700 HA ALA2100 HA ALA2100 4.983 6.968 -2.883 701 HB1 ALA2100 3HB ALA2100 4.765 8.944 -1.261 702 HB2 ALA2100 1HB ALA2100 3.025 8.574 -1.210 703 HB3 ALA2100 2HB ALA2100 4.210 7.362 -0.665 704 H TRP2101 H TRP2101 1.700 8.469 -3.268 705 HA TRP2101 HA TRP2101 0.254 6.127 -2.911 706 HB2 TRP2101 1HB TRP2101 -0.226 8.831 -3.634 707 HB3 TRP2101 2HB TRP2101 -1.062 7.804 -4.801 708 HD1 TRP2101 HD TRP2101 -1.918 9.500 -1.782 709 HE1 TRP2101 1HE TRP2101 -3.833 8.388 -0.348 710 HE3 TRP2101 3HE TRP2101 -1.673 4.946 -4.028 711 HZ2 TRP2101 2HZ TRP2101 -5.005 5.786 -0.315 712 HZ3 TRP2101 3HZ TRP2101 -3.238 3.174 -3.235 713 HH2 TRP2101 HH TRP2101 -4.862 3.535 -1.445 714 H ASP2102 H ASP2102 1.863 7.596 -5.779 715 HA ASP2102 HA ASP2102 0.795 5.996 -7.707 716 HB2 ASP2102 1HB ASP2102 2.932 7.848 -7.440 717 HB3 ASP2102 2HB ASP2102 3.646 6.401 -8.169 718 HD2 ASP2102 HD ASP2102 2.480 7.224 -11.240 719 H LEU2103 H LEU2103 3.805 5.558 -5.704 720 HA LEU2103 HA LEU2103 4.633 3.159 -6.790 721 HB2 LEU2103 1HB LEU2103 5.028 4.608 -4.228 722 HB3 LEU2103 2HB LEU2103 5.542 2.913 -4.309 723 HG LEU2103 HG LEU2103 6.765 3.738 -6.500 724 HD11 LEU2103 1HD1 LEU2103 7.608 6.052 -6.262 725 HD12 LEU2103 2HD1 LEU2103 5.853 5.976 -6.554 726 HD13 LEU2103 3HD1 LEU2103 6.471 6.306 -4.917 727 HD21 LEU2103 3HD2 LEU2103 7.837 2.776 -4.505 728 HD22 LEU2103 1HD2 LEU2103 8.785 4.113 -5.202 729 HD23 LEU2103 2HD2 LEU2103 7.820 4.380 -3.731 730 H TYR2104 H TYR2104 2.523 3.741 -3.890 731 HA TYR2104 HA TYR2104 2.045 1.093 -3.288 732 HB2 TYR2104 1HB TYR2104 0.393 3.681 -3.176 733 HB3 TYR2104 2HB TYR2104 -0.153 2.202 -2.380 734 HD1 TYR2104 2HD TYR2104 2.587 1.268 -1.394 735 HD2 TYR2104 1HD TYR2104 0.653 5.083 -1.283 736 HE1 TYR2104 2HE TYR2104 3.936 1.900 0.666 737 HE2 TYR2104 1HE TYR2104 2.009 5.703 0.775 738 HH TYR2104 HH TYR2104 3.166 4.131 2.709 739 H TYR2105 H TYR2105 0.032 3.324 -5.339 740 HA TYR2105 HA TYR2105 -1.949 1.591 -6.021 741 HB2 TYR2105 1HB TYR2105 -1.144 4.120 -6.650 742 HB3 TYR2105 2HB TYR2105 -0.586 3.320 -8.124 743 HD1 TYR2105 1HD TYR2105 -2.923 1.257 -8.164 744 HD2 TYR2105 2HD TYR2105 -2.782 5.510 -7.723 745 HE1 TYR2105 1HE TYR2105 -5.269 1.441 -9.126 746 HE2 TYR2105 2HE TYR2105 -5.128 5.679 -8.687 747 HH TYR2105 HH TYR2105 -6.497 3.681 -10.455 748 H HIS2106 H HIS2106 1.388 1.766 -7.332 749 HA HIS2106 HA HIS2106 0.931 0.080 -9.511 750 HB2 HIS2106 1HB HIS2106 2.896 1.658 -8.976 751 HB3 HIS2106 2HB HIS2106 3.560 0.303 -8.055 752 HD1 HIS2106 1HD HIS2106 3.657 -2.053 -9.617 753 HD2 HIS2106 2HD HIS2106 3.692 1.661 -11.568 754 HE1 HIS2106 1HE HIS2106 4.594 -2.481 -11.951 755 HE2 HIS2106 2HE HIS2106 4.595 -0.162 -13.113 756 H VAL2107 H VAL2107 2.293 -0.588 -6.209 757 HA VAL2107 HA VAL2107 2.444 -3.366 -6.639 758 HB VAL2107 HB VAL2107 3.230 -3.464 -4.497 759 HG11 VAL2107 1HG1 VAL2107 3.578 -0.484 -4.765 760 HG12 VAL2107 2HG1 VAL2107 4.741 -1.717 -4.220 761 HG13 VAL2107 3HG1 VAL2107 4.324 -1.589 -5.945 762 HG21 VAL2107 3HG2 VAL2107 1.590 -1.049 -3.667 763 HG22 VAL2107 1HG2 VAL2107 1.052 -2.737 -3.481 764 HG23 VAL2107 2HG2 VAL2107 2.500 -2.162 -2.614 765 H PHE2108 H PHE2108 -0.018 -1.192 -5.136 766 HA PHE2108 HA PHE2108 -1.694 -3.271 -4.284 767 HB2 PHE2108 1HB PHE2108 -1.789 -0.301 -4.853 768 HB3 PHE2108 2HB PHE2108 -3.348 -1.114 -4.669 769 HD1 PHE2108 1HD PHE2108 -0.135 -0.404 -2.966 770 HD2 PHE2108 2HD PHE2108 -4.165 -1.660 -2.527 771 HE1 PHE2108 1HE PHE2108 0.078 -0.216 -0.471 772 HE2 PHE2108 2HE PHE2108 -3.953 -1.472 -0.032 773 HZ PHE2108 HZ PHE2108 -1.834 -0.754 0.965 774 H ARG2109 H ARG2109 -1.221 -1.639 -7.405 775 HA ARG2109 HA ARG2109 -3.703 -2.487 -8.445 776 HB2 ARG2109 1HB ARG2109 -2.667 -0.535 -9.409 777 HB3 ARG2109 2HB ARG2109 -1.152 -1.398 -9.721 778 HG2 ARG2109 1HG ARG2109 -2.527 -2.935 -11.256 779 HG3 ARG2109 2HG ARG2109 -3.838 -1.748 -11.115 780 HD2 ARG2109 1HD ARG2109 -2.824 -0.341 -12.572 781 HD3 ARG2109 2HD ARG2109 -1.264 -0.472 -11.745 782 HE ARG2109 HE ARG2109 -1.588 -2.902 -13.093 783 HH11 ARG2109 2HH2 ARG2109 -1.487 0.510 -14.041 784 HH12 ARG2109 1HH2 ARG2109 -0.850 0.183 -15.617 785 H ARG2110 H ARG2110 -0.404 -3.790 -8.214 786 HA ARG2110 HA ARG2110 -0.729 -5.696 -10.246 787 HB2 ARG2110 1HB ARG2110 1.375 -4.739 -8.706 788 HB3 ARG2110 2HB ARG2110 1.178 -6.387 -8.077 789 HG2 ARG2110 1HG ARG2110 1.388 -5.716 -11.040 790 HG3 ARG2110 2HG ARG2110 2.789 -6.148 -10.045 791 HD2 ARG2110 1HD ARG2110 1.683 -8.320 -9.494 792 HD3 ARG2110 2HD ARG2110 0.321 -7.887 -10.539 793 HE ARG2110 HE ARG2110 2.732 -7.634 -12.045 794 HH11 ARG2110 2HH2 ARG2110 0.756 -10.176 -10.561 795 HH12 ARG2110 1HH2 ARG2110 1.250 -11.392 -11.691 796 H ILE2111 H ILE2111 -0.829 -5.822 -6.613 797 HA ILE2111 HA ILE2111 -1.239 -8.449 -6.194 798 HB ILE2111 HB ILE2111 -2.707 -7.673 -4.261 799 HG12 ILE2111 1HG1 ILE2111 -1.896 -4.956 -5.315 800 HG13 ILE2111 2HG1 ILE2111 -3.540 -5.611 -5.329 801 HG21 ILE2111 1HG2 ILE2111 -0.070 -7.923 -4.494 802 HG22 ILE2111 2HG2 ILE2111 -0.133 -6.170 -4.198 803 HG23 ILE2111 3HG2 ILE2111 -0.839 -7.298 -3.016 804 HD11 ILE2111 3HD1 ILE2111 -3.358 -5.851 -2.800 805 HD12 ILE2111 1HD1 ILE2111 -1.816 -4.966 -2.899 806 HD13 ILE2111 2HD1 ILE2111 -3.331 -4.172 -3.391 807 H SER2112 H SER2112 -3.412 -6.163 -7.783 808 HA SER2112 HA SER2112 -5.560 -8.085 -7.652 809 HB2 SER2112 1HB SER2112 -5.288 -5.191 -8.221 810 HB3 SER2112 2HB SER2112 -6.485 -6.022 -9.234 811 HG SER2112 HG SER2112 -6.541 -5.390 -6.506 812 H LYS2113 H LYS2113 -3.582 -6.266 -10.099 813 HA LYS2113 HA LYS2113 -4.565 -7.192 -12.408 814 HB2 LYS2113 1HB LYS2113 -2.778 -5.629 -12.359 815 HB3 LYS2113 2HB LYS2113 -1.675 -6.791 -11.601 816 HG2 LYS2113 1HG LYS2113 -0.998 -7.062 -13.776 817 HG3 LYS2113 2HG LYS2113 -2.343 -8.214 -13.808 818 HD2 LYS2113 1HD LYS2113 -3.784 -6.146 -14.502 819 HD3 LYS2113 2HD LYS2113 -2.235 -5.378 -14.885 820 HE2 LYS2113 1HE LYS2113 -2.145 -7.991 -16.012 821 HE3 LYS2113 2HE LYS2113 -3.744 -7.340 -16.414 822 HZ1 LYS2113 2HZ LYS2113 -1.424 -5.590 -16.788 823 HZ3 LYS2113 1HZ LYS2113 -2.795 -5.673 -17.663 824 H GLN2114 H GLN2114 -2.853 -9.064 -9.933 825 HA GLN2114 HA GLN2114 -2.124 -11.214 -11.487 826 HB2 GLN2114 1HB GLN2114 -1.695 -10.571 -8.953 827 HB3 GLN2114 2HB GLN2114 -3.085 -11.630 -8.657 828 HG2 GLN2114 1HG GLN2114 -1.762 -13.282 -10.257 829 HG3 GLN2114 2HG GLN2114 -0.363 -12.301 -9.792 830 HE21 GLN2114 1HE2 GLN2114 -2.778 -14.582 -8.820 831 HE22 GLN2114 2HE2 GLN2114 -2.165 -14.958 -7.244 Start of MODEL 3 1 H MET2014 H MET2014 -5.907 -20.549 3.079 2 HA MET2014 HA MET2014 -5.903 -18.888 0.907 3 HB2 MET2014 1HB MET2014 -3.947 -21.039 0.737 4 HB3 MET2014 2HB MET2014 -5.184 -21.289 -0.505 5 HG2 MET2014 1HG MET2014 -4.373 -19.574 -1.748 6 HG3 MET2014 2HG MET2014 -4.390 -18.475 -0.366 7 HE1 MET2014 3HE MET2014 -1.954 -17.633 0.724 8 HE2 MET2014 1HE MET2014 -0.853 -17.681 -0.673 9 HE3 MET2014 2HE MET2014 -2.560 -17.232 -0.901 10 H GLU2015 H GLU2015 -7.920 -19.058 -0.037 11 HA GLU2015 HA GLU2015 -9.404 -21.452 0.687 12 HB2 GLU2015 1HB GLU2015 -10.027 -18.601 0.574 13 HB3 GLU2015 2HB GLU2015 -11.216 -19.553 -0.329 14 HG2 GLU2015 1HG GLU2015 -12.067 -19.509 1.875 15 HG3 GLU2015 2HG GLU2015 -11.276 -21.091 1.773 16 HE2 GLU2015 HE GLU2015 -9.796 -20.106 4.734 17 H LEU2016 H LEU2016 -8.086 -19.584 -1.986 18 HA LEU2016 HA LEU2016 -8.417 -21.621 -3.820 19 HB2 LEU2016 1HB LEU2016 -10.814 -20.168 -3.405 20 HB3 LEU2016 2HB LEU2016 -10.198 -19.745 -5.012 21 HG LEU2016 HG LEU2016 -10.110 -22.617 -4.501 22 HD11 LEU2016 1HD1 LEU2016 -12.481 -23.066 -4.477 23 HD12 LEU2016 2HD1 LEU2016 -12.054 -22.060 -3.070 24 HD13 LEU2016 3HD1 LEU2016 -12.849 -21.323 -4.482 25 HD21 LEU2016 3HD2 LEU2016 -9.834 -21.935 -6.714 26 HD22 LEU2016 1HD2 LEU2016 -11.508 -22.536 -6.662 27 HD23 LEU2016 2HD2 LEU2016 -11.190 -20.784 -6.635 28 H ILE2017 H ILE2017 -8.687 -20.003 -6.209 29 HA ILE2017 HA ILE2017 -6.122 -19.192 -6.585 30 HB ILE2017 HB ILE2017 -8.727 -18.503 -7.882 31 HG12 ILE2017 1HG1 ILE2017 -6.738 -19.546 -9.631 32 HG13 ILE2017 2HG1 ILE2017 -6.731 -20.526 -8.153 33 HG21 ILE2017 1HG2 ILE2017 -7.028 -17.485 -9.691 34 HG22 ILE2017 2HG2 ILE2017 -7.842 -16.497 -8.452 35 HG23 ILE2017 3HG2 ILE2017 -6.163 -17.036 -8.202 36 HD11 ILE2017 3HD1 ILE2017 -8.993 -21.152 -8.424 37 HD12 ILE2017 1HD1 ILE2017 -9.344 -19.773 -9.493 38 HD13 ILE2017 2HD1 ILE2017 -8.384 -21.144 -10.097 39 H ARG2018 H ARG2018 -8.619 -16.610 -6.681 40 HA ARG2018 HA ARG2018 -6.749 -15.002 -5.166 41 HB2 ARG2018 1HB ARG2018 -7.929 -14.414 -7.500 42 HB3 ARG2018 2HB ARG2018 -9.231 -13.843 -6.442 43 HG2 ARG2018 1HG ARG2018 -6.350 -13.017 -5.993 44 HG3 ARG2018 2HG ARG2018 -7.366 -12.154 -7.158 45 HD2 ARG2018 1HD ARG2018 -8.538 -12.631 -4.447 46 HD3 ARG2018 2HD ARG2018 -7.198 -11.477 -4.522 47 HE ARG2018 HE ARG2018 -8.894 -10.748 -6.619 48 HH11 ARG2018 2HH2 ARG2018 -9.264 -11.121 -3.113 49 HH12 ARG2018 1HH2 ARG2018 -10.509 -9.922 -2.992 50 H VAL2019 H VAL2019 -7.469 -16.188 -3.139 51 HA VAL2019 HA VAL2019 -10.055 -16.227 -2.210 52 HB VAL2019 HB VAL2019 -8.522 -17.506 -1.057 53 HG11 VAL2019 1HG1 VAL2019 -6.514 -16.126 0.117 54 HG12 VAL2019 2HG1 VAL2019 -6.382 -16.885 -1.489 55 HG13 VAL2019 3HG1 VAL2019 -6.742 -15.146 -1.352 56 HG21 VAL2019 3HG2 VAL2019 -10.017 -16.518 0.542 57 HG22 VAL2019 1HG2 VAL2019 -8.395 -16.575 1.272 58 HG23 VAL2019 2HG2 VAL2019 -9.030 -15.039 0.634 59 HA PRO2020 HA PRO2020 -10.881 -12.035 -1.464 60 HB2 PRO2020 1HB PRO2020 -13.232 -12.310 -0.099 61 HB3 PRO2020 2HB PRO2020 -13.129 -12.342 -1.859 62 HG2 PRO2020 1HG PRO2020 -13.471 -14.556 0.063 63 HG3 PRO2020 2HG PRO2020 -13.846 -14.529 -1.699 64 HD2 PRO2020 1HD PRO2020 -11.633 -15.769 -0.368 65 HD3 PRO2020 2HD PRO2020 -11.874 -15.636 -2.114 66 H ILE2021 H ILE2021 -10.755 -14.342 1.117 67 HA ILE2021 HA ILE2021 -10.272 -12.136 2.975 68 HB ILE2021 HB ILE2021 -10.390 -14.147 4.625 69 HG12 ILE2021 1HG1 ILE2021 -10.453 -15.696 2.496 70 HG13 ILE2021 2HG1 ILE2021 -11.357 -16.111 3.964 71 HG21 ILE2021 1HG2 ILE2021 -12.643 -12.742 3.221 72 HG22 ILE2021 2HG2 ILE2021 -12.979 -13.954 4.481 73 HG23 ILE2021 3HG2 ILE2021 -12.007 -12.514 4.867 74 HD11 ILE2021 3HD1 ILE2021 -12.660 -14.433 1.808 75 HD12 ILE2021 1HD1 ILE2021 -12.554 -16.198 1.613 76 HD13 ILE2021 2HD1 ILE2021 -13.419 -15.506 3.007 77 H LEU2022 H LEU2022 -8.158 -11.515 2.484 78 HA LEU2022 HA LEU2022 -6.143 -13.167 3.584 79 HB2 LEU2022 1HB LEU2022 -6.761 -13.732 0.934 80 HB3 LEU2022 2HB LEU2022 -5.305 -12.727 0.848 81 HG LEU2022 HG LEU2022 -4.782 -15.114 0.866 82 HD11 LEU2022 1HD1 LEU2022 -3.065 -13.756 1.737 83 HD12 LEU2022 2HD1 LEU2022 -3.922 -13.512 3.278 84 HD13 LEU2022 3HD1 LEU2022 -3.233 -15.105 2.884 85 HD21 LEU2022 3HD2 LEU2022 -6.129 -15.162 3.580 86 HD22 LEU2022 1HD2 LEU2022 -6.702 -15.956 2.094 87 HD23 LEU2022 2HD2 LEU2022 -5.190 -16.492 2.863 88 H TRP2023 H TRP2023 -3.943 -11.930 2.130 89 HA TRP2023 HA TRP2023 -3.861 -9.488 3.532 90 HB2 TRP2023 1HB TRP2023 -2.104 -10.973 1.652 91 HB3 TRP2023 2HB TRP2023 -1.794 -9.249 1.869 92 HD1 TRP2023 HD TRP2023 -3.047 -10.947 5.007 93 HE1 TRP2023 1HE TRP2023 -1.130 -11.307 6.786 94 HE3 TRP2023 3HE TRP2023 0.792 -9.782 1.883 95 HZ2 TRP2023 2HZ TRP2023 1.711 -11.069 6.689 96 HZ3 TRP2023 3HZ TRP2023 3.108 -9.870 2.805 97 HH2 TRP2023 HH TRP2023 3.596 -10.487 5.119 98 H HIS2024 H HIS2024 -4.178 -10.368 0.020 99 HA HIS2024 HA HIS2024 -4.255 -7.881 -1.046 100 HB2 HIS2024 1HB HIS2024 -6.189 -9.959 -2.003 101 HB3 HIS2024 2HB HIS2024 -5.179 -8.849 -2.939 102 HD1 HIS2024 1HD HIS2024 -5.210 -12.227 -1.340 103 HD2 HIS2024 2HD HIS2024 -2.454 -9.702 -3.244 104 HE1 HIS2024 1HE HIS2024 -3.171 -13.666 -1.875 105 HE2 HIS2024 2HE HIS2024 -1.503 -12.063 -3.047 106 H GLU2025 H GLU2025 -6.547 -9.364 1.137 107 HA GLU2025 HA GLU2025 -8.729 -7.737 0.372 108 HB2 GLU2025 1HB GLU2025 -8.889 -9.979 1.512 109 HB3 GLU2025 2HB GLU2025 -8.310 -9.217 3.003 110 HG2 GLU2025 1HG GLU2025 -10.357 -7.522 2.221 111 HG3 GLU2025 2HG GLU2025 -10.977 -9.100 1.712 112 HE2 GLU2025 HE GLU2025 -12.093 -9.335 4.962 113 H MET2026 H MET2026 -6.034 -7.534 2.706 114 HA MET2026 HA MET2026 -7.143 -5.383 4.145 115 HB2 MET2026 1HB MET2026 -5.080 -5.430 5.326 116 HB3 MET2026 2HB MET2026 -5.226 -7.100 4.755 117 HG2 MET2026 1HG MET2026 -3.079 -6.696 4.029 118 HG3 MET2026 2HG MET2026 -3.919 -6.025 2.629 119 HE1 MET2026 3HE MET2026 -0.744 -3.943 3.584 120 HE2 MET2026 1HE MET2026 -0.972 -4.894 5.069 121 HE3 MET2026 2HE MET2026 -1.171 -5.668 3.479 122 H TRP2027 H TRP2027 -5.179 -5.706 1.201 123 HA TRP2027 HA TRP2027 -4.327 -2.987 1.169 124 HB2 TRP2027 1HB TRP2027 -4.370 -5.150 -0.934 125 HB3 TRP2027 2HB TRP2027 -3.682 -3.543 -1.183 126 HD1 TRP2027 HD TRP2027 -3.080 -6.692 1.025 127 HE1 TRP2027 1HE TRP2027 -0.553 -6.842 1.767 128 HE3 TRP2027 3HE TRP2027 -1.690 -2.216 -0.947 129 HZ2 TRP2027 2HZ TRP2027 1.695 -5.111 1.454 130 HZ3 TRP2027 3HZ TRP2027 0.689 -1.521 -0.686 131 HH2 TRP2027 HH TRP2027 2.356 -2.888 0.466 132 H HIS2028 H HIS2028 -6.838 -4.964 -0.560 133 HA HIS2028 HA HIS2028 -7.891 -2.924 -2.071 134 HB2 HIS2028 1HB HIS2028 -8.781 -4.850 -2.775 135 HB3 HIS2028 2HB HIS2028 -8.709 -5.602 -1.176 136 HD1 HIS2028 1HD HIS2028 -10.992 -3.838 -3.533 137 HD2 HIS2028 2HD HIS2028 -11.025 -5.097 0.468 138 HE1 HIS2028 1HE HIS2028 -13.424 -3.718 -2.766 139 HE2 HIS2028 2HE HIS2028 -13.388 -4.500 -0.294 140 H GLU2029 H GLU2029 -8.997 -4.117 1.182 141 HA GLU2029 HA GLU2029 -10.871 -2.047 1.428 142 HB2 GLU2029 1HB GLU2029 -11.335 -2.947 3.553 143 HB3 GLU2029 2HB GLU2029 -10.785 -4.352 2.622 144 HG2 GLU2029 1HG GLU2029 -8.471 -3.961 3.566 145 HG3 GLU2029 2HG GLU2029 -9.151 -2.700 4.605 146 HE2 GLU2029 HE GLU2029 -9.559 -6.518 5.543 147 H GLY2030 H GLY2030 -7.453 -2.486 2.404 148 HA2 GLY2030 2HA GLY2030 -7.191 -0.390 4.208 149 HA3 GLY2030 3HA GLY2030 -5.924 -1.039 3.186 150 H LEU2031 H LEU2031 -6.201 -0.349 0.704 151 HA LEU2031 HA LEU2031 -5.870 2.421 0.645 152 HB2 LEU2031 1HB LEU2031 -5.356 0.274 -0.989 153 HB3 LEU2031 2HB LEU2031 -6.570 1.184 -1.906 154 HG LEU2031 HG LEU2031 -5.174 3.140 -1.926 155 HD11 LEU2031 1HD1 LEU2031 -2.723 2.669 -0.932 156 HD12 LEU2031 2HD1 LEU2031 -4.029 3.435 0.003 157 HD13 LEU2031 3HD1 LEU2031 -3.691 1.698 0.204 158 HD21 LEU2031 3HD2 LEU2031 -2.937 1.568 -2.679 159 HD22 LEU2031 1HD2 LEU2031 -4.400 0.635 -3.074 160 HD23 LEU2031 2HD2 LEU2031 -4.195 2.282 -3.718 161 H GLU2032 H GLU2032 -8.705 0.313 0.190 162 HA GLU2032 HA GLU2032 -10.347 2.036 -1.130 163 HB2 GLU2032 1HB GLU2032 -10.648 -0.304 0.638 164 HB3 GLU2032 2HB GLU2032 -12.067 0.755 0.634 165 HG2 GLU2032 1HG GLU2032 -10.704 -0.230 -1.903 166 HG3 GLU2032 2HG GLU2032 -12.039 -1.104 -1.136 167 HE2 GLU2032 HE GLU2032 -13.209 1.318 -3.689 168 H GLU2033 H GLU2033 -9.726 1.765 2.427 169 HA GLU2033 HA GLU2033 -11.529 3.867 3.007 170 HB2 GLU2033 1HB GLU2033 -10.596 1.860 4.479 171 HB3 GLU2033 2HB GLU2033 -9.352 3.042 4.922 172 HG2 GLU2033 1HG GLU2033 -10.882 4.442 5.984 173 HG3 GLU2033 2HG GLU2033 -12.249 3.886 5.007 174 HE2 GLU2033 HE GLU2033 -11.151 1.872 8.290 175 H ALA2034 H ALA2034 -7.915 3.525 2.941 176 HA ALA2034 HA ALA2034 -7.250 6.066 3.719 177 HB1 ALA2034 3HB ALA2034 -5.527 4.464 3.506 178 HB2 ALA2034 1HB ALA2034 -5.988 4.057 1.835 179 HB3 ALA2034 2HB ALA2034 -5.207 5.616 2.188 180 H SER2035 H SER2035 -8.127 4.840 0.432 181 HA SER2035 HA SER2035 -7.665 7.281 -0.828 182 HB2 SER2035 1HB SER2035 -8.890 6.309 -2.710 183 HB3 SER2035 2HB SER2035 -7.807 5.094 -2.008 184 HG SER2035 HG SER2035 -9.506 3.868 -1.596 185 H ARG2036 H ARG2036 -10.659 5.697 0.471 186 HA ARG2036 HA ARG2036 -12.483 7.498 -0.352 187 HB2 ARG2036 1HB ARG2036 -12.599 5.296 1.166 188 HB3 ARG2036 2HB ARG2036 -12.683 6.476 2.487 189 HG2 ARG2036 1HG ARG2036 -14.937 6.173 1.972 190 HG3 ARG2036 2HG ARG2036 -14.555 7.591 0.980 191 HD2 ARG2036 1HD ARG2036 -14.086 5.982 -0.939 192 HD3 ARG2036 2HD ARG2036 -14.734 4.681 0.069 193 HE ARG2036 HE ARG2036 -16.249 6.773 -1.293 194 HH11 ARG2036 2HH2 ARG2036 -16.293 4.531 1.448 195 HH12 ARG2036 1HH2 ARG2036 -18.021 4.511 1.566 196 H LEU2037 H LEU2037 -10.476 7.584 2.674 197 HA LEU2037 HA LEU2037 -11.563 10.062 3.532 198 HB2 LEU2037 1HB LEU2037 -9.740 9.986 5.173 199 HB3 LEU2037 2HB LEU2037 -10.730 8.518 5.138 200 HG LEU2037 HG LEU2037 -8.814 7.632 3.571 201 HD11 LEU2037 1HD1 LEU2037 -7.062 9.411 5.216 202 HD12 LEU2037 2HD1 LEU2037 -6.751 8.616 3.654 203 HD13 LEU2037 3HD1 LEU2037 -7.788 10.061 3.726 204 HD21 LEU2037 3HD2 LEU2037 -7.499 7.058 5.764 205 HD22 LEU2037 1HD2 LEU2037 -8.890 7.831 6.562 206 HD23 LEU2037 2HD2 LEU2037 -9.141 6.424 5.502 207 H TYR2038 H TYR2038 -8.676 9.028 1.656 208 HA TYR2038 HA TYR2038 -7.301 11.411 1.624 209 HB2 TYR2038 1HB TYR2038 -6.513 9.245 0.700 210 HB3 TYR2038 2HB TYR2038 -7.840 9.214 -0.464 211 HD1 TYR2038 2HD TYR2038 -5.556 12.046 0.404 212 HD2 TYR2038 1HD TYR2038 -6.750 9.187 -2.545 213 HE1 TYR2038 2HE TYR2038 -4.065 13.183 -1.312 214 HE2 TYR2038 1HE TYR2038 -5.256 10.332 -4.252 215 HH TYR2038 HH TYR2038 -4.026 12.079 -4.677 216 H PHE2039 H PHE2039 -9.741 10.235 -0.806 217 HA PHE2039 HA PHE2039 -9.740 12.732 -2.152 218 HB2 PHE2039 1HB PHE2039 -11.415 10.178 -2.085 219 HB3 PHE2039 2HB PHE2039 -11.915 11.527 -3.109 220 HD1 PHE2039 2HD PHE2039 -9.013 9.294 -2.424 221 HD2 PHE2039 1HD PHE2039 -11.060 11.692 -5.262 222 HE1 PHE2039 2HE PHE2039 -7.475 8.470 -4.230 223 HE2 PHE2039 1HE PHE2039 -9.522 10.870 -7.068 224 HZ PHE2039 HZ PHE2039 -7.748 9.269 -6.529 225 H GLY2040 H GLY2040 -11.568 11.291 0.533 226 HA2 GLY2040 2HA GLY2040 -13.922 12.657 0.536 227 HA3 GLY2040 3HA GLY2040 -13.016 12.238 1.976 228 H GLU2041 H GLU2041 -11.061 13.780 2.476 229 HA GLU2041 HA GLU2041 -11.719 16.479 1.632 230 HB2 GLU2041 1HB GLU2041 -11.362 17.242 4.020 231 HB3 GLU2041 2HB GLU2041 -12.847 16.311 3.754 232 HG2 GLU2041 1HG GLU2041 -10.744 14.458 4.356 233 HG3 GLU2041 2HG GLU2041 -10.656 15.757 5.555 234 HE2 GLU2041 HE GLU2041 -13.485 13.058 5.784 235 H ARG2042 H ARG2042 -9.705 15.237 0.394 236 HA ARG2042 HA ARG2042 -7.529 14.915 0.215 237 HB2 ARG2042 1HB ARG2042 -8.189 17.452 -0.212 238 HB3 ARG2042 2HB ARG2042 -7.161 17.757 1.198 239 HG2 ARG2042 1HG ARG2042 -5.665 17.946 -0.601 240 HG3 ARG2042 2HG ARG2042 -5.400 16.278 -0.064 241 HD2 ARG2042 1HD ARG2042 -7.031 15.518 -1.826 242 HD3 ARG2042 2HD ARG2042 -7.149 17.188 -2.401 243 HE ARG2042 HE ARG2042 -4.396 16.219 -2.244 244 HH11 ARG2042 2HH2 ARG2042 -7.294 16.304 -4.284 245 HH12 ARG2042 1HH2 ARG2042 -6.413 16.067 -5.757 246 H ASN2043 H ASN2043 -8.316 13.976 2.794 247 HA ASN2043 HA ASN2043 -6.207 14.997 4.512 248 HB2 ASN2043 1HB ASN2043 -8.842 13.598 4.980 249 HB3 ASN2043 2HB ASN2043 -7.571 13.406 6.196 250 HD21 ASN2043 1HD2 ASN2043 -9.134 14.488 7.568 251 HD22 ASN2043 2HD2 ASN2043 -9.212 16.218 7.602 252 H VAL2044 H VAL2044 -4.457 13.757 3.519 253 HA VAL2044 HA VAL2044 -4.726 10.966 3.067 254 HB VAL2044 HB VAL2044 -2.183 11.188 2.845 255 HG11 VAL2044 1HG1 VAL2044 -3.853 11.192 0.972 256 HG12 VAL2044 2HG1 VAL2044 -3.877 12.968 1.063 257 HG13 VAL2044 3HG1 VAL2044 -2.372 12.120 0.633 258 HG21 VAL2044 3HG2 VAL2044 -1.130 13.139 3.220 259 HG22 VAL2044 1HG2 VAL2044 -2.426 14.093 2.459 260 HG23 VAL2044 2HG2 VAL2044 -2.576 13.580 4.157 261 H LYS2045 H LYS2045 -4.410 12.869 5.884 262 HA LYS2045 HA LYS2045 -2.622 11.524 7.448 263 HB2 LYS2045 1HB LYS2045 -4.040 12.269 9.350 264 HB3 LYS2045 2HB LYS2045 -3.653 13.552 8.191 265 HG2 LYS2045 1HG LYS2045 -5.902 13.943 8.316 266 HG3 LYS2045 2HG LYS2045 -5.995 12.637 7.123 267 HD2 LYS2045 1HD LYS2045 -7.526 11.899 8.706 268 HD3 LYS2045 2HD LYS2045 -6.058 11.094 9.291 269 HE2 LYS2045 1HE LYS2045 -5.703 13.138 10.792 270 HE3 LYS2045 2HE LYS2045 -7.337 13.655 10.343 271 HZ1 LYS2045 2HZ LYS2045 -8.223 12.060 11.665 272 HZ3 LYS2045 1HZ LYS2045 -6.765 11.981 12.384 273 H GLY2046 H GLY2046 -6.111 10.727 6.866 274 HA2 GLY2046 2HA GLY2046 -6.323 8.530 8.519 275 HA3 GLY2046 3HA GLY2046 -7.214 8.776 7.030 276 H MET2047 H MET2047 -5.293 8.653 5.031 277 HA MET2047 HA MET2047 -4.999 5.980 4.655 278 HB2 MET2047 1HB MET2047 -4.775 7.433 2.775 279 HB3 MET2047 2HB MET2047 -3.552 8.437 3.574 280 HG2 MET2047 1HG MET2047 -2.031 6.361 3.514 281 HG3 MET2047 2HG MET2047 -3.223 5.625 2.439 282 HE1 MET2047 3HE MET2047 -1.416 9.710 1.775 283 HE2 MET2047 1HE MET2047 -1.620 8.817 3.302 284 HE3 MET2047 2HE MET2047 -0.175 8.544 2.300 285 H PHE2048 H PHE2048 -2.403 8.326 5.670 286 HA PHE2048 HA PHE2048 -0.351 6.567 5.943 287 HB2 PHE2048 1HB PHE2048 -1.280 8.972 7.603 288 HB3 PHE2048 2HB PHE2048 0.322 8.257 7.817 289 HD1 PHE2048 2HD PHE2048 0.971 7.700 4.944 290 HD2 PHE2048 1HD PHE2048 -0.759 11.100 6.801 291 HE1 PHE2048 2HE PHE2048 1.850 9.155 3.097 292 HE2 PHE2048 1HE PHE2048 0.119 12.556 4.954 293 HZ PHE2048 HZ PHE2048 1.412 11.565 3.125 294 H GLU2049 H GLU2049 -3.011 7.264 8.277 295 HA GLU2049 HA GLU2049 -1.856 5.584 10.248 296 HB2 GLU2049 1HB GLU2049 -4.700 6.647 10.070 297 HB3 GLU2049 2HB GLU2049 -3.885 6.057 11.530 298 HG2 GLU2049 1HG GLU2049 -2.398 7.920 11.569 299 HG3 GLU2049 2HG GLU2049 -2.785 8.381 9.903 300 HE2 GLU2049 HE GLU2049 -5.929 9.712 10.884 301 H VAL2050 H VAL2050 -3.671 5.083 7.361 302 HA VAL2050 HA VAL2050 -4.962 2.675 8.307 303 HB VAL2050 HB VAL2050 -4.899 4.266 5.766 304 HG11 VAL2050 1HG1 VAL2050 -6.122 1.497 6.020 305 HG12 VAL2050 2HG1 VAL2050 -6.200 2.576 4.606 306 HG13 VAL2050 3HG1 VAL2050 -4.641 1.884 5.111 307 HG21 VAL2050 3HG2 VAL2050 -7.026 4.839 6.291 308 HG22 VAL2050 1HG2 VAL2050 -7.418 3.226 6.933 309 HG23 VAL2050 2HG2 VAL2050 -6.520 4.387 7.938 310 H LEU2051 H LEU2051 -2.233 3.681 6.169 311 HA LEU2051 HA LEU2051 -1.585 0.964 5.549 312 HB2 LEU2051 1HB LEU2051 0.376 3.136 5.134 313 HB3 LEU2051 2HB LEU2051 -0.126 1.822 4.055 314 HG LEU2051 HG LEU2051 -1.379 4.518 4.505 315 HD11 LEU2051 1HD1 LEU2051 0.372 4.082 2.730 316 HD12 LEU2051 2HD1 LEU2051 -0.832 3.051 1.920 317 HD13 LEU2051 3HD1 LEU2051 -1.164 4.784 2.165 318 HD21 LEU2051 3HD2 LEU2051 -3.395 3.525 4.571 319 HD22 LEU2051 1HD2 LEU2051 -3.153 3.354 2.814 320 HD23 LEU2051 2HD2 LEU2051 -2.786 1.994 3.901 321 H GLU2052 H GLU2052 -0.350 3.546 7.746 322 HA GLU2052 HA GLU2052 1.911 2.554 8.638 323 HB2 GLU2052 1HB GLU2052 -0.250 4.135 9.781 324 HB3 GLU2052 2HB GLU2052 0.571 3.199 11.040 325 HG2 GLU2052 1HG GLU2052 1.585 5.455 10.657 326 HG3 GLU2052 2HG GLU2052 2.735 4.137 10.382 327 HE2 GLU2052 HE GLU2052 1.772 6.609 7.459 328 HA PRO2053 HA PRO2053 -0.255 -0.669 11.356 329 HB2 PRO2053 1HB PRO2053 -2.948 -1.066 11.130 330 HB3 PRO2053 2HB PRO2053 -2.228 -0.032 12.360 331 HG2 PRO2053 1HG PRO2053 -3.618 0.685 9.859 332 HG3 PRO2053 2HG PRO2053 -3.323 1.708 11.312 333 HD2 PRO2053 1HD PRO2053 -1.992 1.792 8.778 334 HD3 PRO2053 2HD PRO2053 -1.560 2.706 10.229 335 H LEU2054 H LEU2054 -2.164 -0.519 8.386 336 HA LEU2054 HA LEU2054 -2.303 -3.194 7.896 337 HB2 LEU2054 1HB LEU2054 -2.284 -0.733 6.246 338 HB3 LEU2054 2HB LEU2054 -2.096 -2.280 5.400 339 HG LEU2054 HG LEU2054 -4.257 -2.833 5.681 340 HD11 LEU2054 1HD1 LEU2054 -3.980 -1.699 8.456 341 HD12 LEU2054 2HD1 LEU2054 -5.569 -2.155 7.794 342 HD13 LEU2054 3HD1 LEU2054 -4.284 -3.377 7.945 343 HD21 LEU2054 3HD2 LEU2054 -5.074 -0.134 6.567 344 HD22 LEU2054 1HD2 LEU2054 -4.018 -0.191 5.135 345 HD23 LEU2054 2HD2 LEU2054 -5.559 -1.080 5.139 346 H HIS2055 H HIS2055 0.319 -0.930 6.797 347 HA HIS2055 HA HIS2055 1.876 -2.939 5.667 348 HB2 HIS2055 1HB HIS2055 2.607 -0.222 6.775 349 HB3 HIS2055 2HB HIS2055 3.713 -1.241 5.847 350 HD1 HIS2055 1HD HIS2055 3.255 1.386 4.585 351 HD2 HIS2055 2HD HIS2055 0.598 -1.804 3.987 352 HE1 HIS2055 1HE HIS2055 1.996 1.899 2.425 353 HE2 HIS2055 2HE HIS2055 0.370 -0.095 2.102 354 H ALA2056 H ALA2056 2.067 -1.336 8.921 355 HA ALA2056 HA ALA2056 4.216 -2.716 9.907 356 HB1 ALA2056 3HB ALA2056 1.689 -1.741 11.297 357 HB2 ALA2056 1HB ALA2056 3.178 -2.232 12.137 358 HB3 ALA2056 2HB ALA2056 3.194 -0.826 11.046 359 H MET2057 H MET2057 0.703 -3.629 10.048 360 HA MET2057 HA MET2057 0.968 -5.925 11.457 361 HB2 MET2057 1HB MET2057 -1.263 -5.884 10.998 362 HB3 MET2057 2HB MET2057 -0.986 -4.628 9.780 363 HG2 MET2057 1HG MET2057 -0.605 -6.334 8.061 364 HG3 MET2057 2HG MET2057 -0.687 -7.625 9.262 365 HE1 MET2057 3HE MET2057 -2.656 -6.043 6.509 366 HE2 MET2057 1HE MET2057 -2.247 -7.760 6.738 367 HE3 MET2057 2HE MET2057 -3.950 -7.240 6.753 368 H MET2058 H MET2058 1.594 -5.353 7.968 369 HA MET2058 HA MET2058 1.827 -8.059 7.307 370 HB2 MET2058 1HB MET2058 2.989 -5.515 6.064 371 HB3 MET2058 2HB MET2058 3.009 -7.093 5.257 372 HG2 MET2058 1HG MET2058 0.341 -6.292 6.268 373 HG3 MET2058 2HG MET2058 0.987 -5.192 5.046 374 HE1 MET2058 3HE MET2058 -1.619 -8.029 3.759 375 HE2 MET2058 1HE MET2058 -1.048 -8.606 5.345 376 HE3 MET2058 2HE MET2058 -1.493 -6.895 5.128 377 H GLU2059 H GLU2059 4.062 -5.648 8.671 378 HA GLU2059 HA GLU2059 6.362 -7.218 8.125 379 HB2 GLU2059 1HB GLU2059 6.198 -5.014 10.193 380 HB3 GLU2059 2HB GLU2059 7.586 -5.484 9.196 381 HG2 GLU2059 1HG GLU2059 5.112 -3.924 8.434 382 HG3 GLU2059 2HG GLU2059 6.809 -3.508 8.153 383 HE2 GLU2059 HE GLU2059 5.056 -4.874 5.144 384 H ARG2060 H ARG2060 4.777 -6.176 11.240 385 HA ARG2060 HA ARG2060 6.171 -8.116 12.693 386 HB2 ARG2060 1HB ARG2060 4.682 -7.446 14.562 387 HB3 ARG2060 2HB ARG2060 5.300 -6.020 13.712 388 HG2 ARG2060 1HG ARG2060 3.175 -5.915 12.410 389 HG3 ARG2060 2HG ARG2060 2.554 -7.305 13.321 390 HD2 ARG2060 1HD ARG2060 3.583 -5.192 15.083 391 HD3 ARG2060 2HD ARG2060 2.303 -4.588 14.021 392 HE ARG2060 HE ARG2060 0.762 -6.064 15.067 393 HH11 ARG2060 2HH2 ARG2060 4.050 -6.636 16.262 394 HH12 ARG2060 1HH2 ARG2060 3.528 -7.611 17.595 395 H GLY2061 H GLY2061 3.341 -8.191 10.681 396 HA2 GLY2061 2HA GLY2061 2.510 -10.770 11.873 397 HA3 GLY2061 3HA GLY2061 1.413 -9.627 11.123 398 HA PRO2062 HA PRO2062 4.032 -11.603 7.683 399 HB2 PRO2062 1HB PRO2062 5.617 -13.739 8.300 400 HB3 PRO2062 2HB PRO2062 6.226 -12.090 8.180 401 HG2 PRO2062 1HG PRO2062 5.639 -13.724 10.563 402 HG3 PRO2062 2HG PRO2062 6.688 -12.267 10.433 403 HD2 PRO2062 1HD PRO2062 4.061 -12.473 11.551 404 HD3 PRO2062 2HD PRO2062 4.987 -10.987 11.299 405 H GLN2063 H GLN2063 4.427 -14.237 6.862 406 HA GLN2063 HA GLN2063 2.009 -15.538 7.751 407 HB2 GLN2063 1HB GLN2063 1.975 -14.011 5.439 408 HB3 GLN2063 2HB GLN2063 2.292 -15.640 4.811 409 HG2 GLN2063 1HG GLN2063 0.197 -16.360 5.329 410 HG3 GLN2063 2HG GLN2063 0.199 -15.557 6.907 411 HE21 GLN2063 1HE2 GLN2063 -0.173 -15.093 3.428 412 HE22 GLN2063 2HE2 GLN2063 -1.203 -13.702 3.485 413 H THR2064 H THR2064 4.530 -15.784 5.131 414 HA THR2064 HA THR2064 5.929 -17.881 6.299 415 HB THR2064 HB THR2064 3.861 -19.202 6.040 416 HG1 THR2064 1HG THR2064 4.876 -20.773 4.533 417 HG21 THR2064 3HG2 THR2064 4.053 -18.231 3.148 418 HG22 THR2064 1HG2 THR2064 3.156 -19.701 3.601 419 HG23 THR2064 2HG2 THR2064 2.652 -18.119 4.242 420 H LEU2065 H LEU2065 7.223 -19.138 4.457 421 HA LEU2065 HA LEU2065 8.702 -17.204 3.156 422 HB2 LEU2065 1HB LEU2065 8.681 -20.026 3.483 423 HB3 LEU2065 2HB LEU2065 8.954 -19.668 1.768 424 HG LEU2065 HG LEU2065 10.585 -18.008 3.528 425 HD11 LEU2065 1HD1 LEU2065 12.123 -19.874 4.204 426 HD12 LEU2065 2HD1 LEU2065 10.571 -19.824 5.073 427 HD13 LEU2065 3HD1 LEU2065 10.825 -21.014 3.774 428 HD21 LEU2065 3HD2 LEU2065 12.396 -18.995 2.052 429 HD22 LEU2065 1HD2 LEU2065 11.098 -19.870 1.205 430 HD23 LEU2065 2HD2 LEU2065 11.105 -18.091 1.224 431 H LYS2066 H LYS2066 5.714 -18.857 2.230 432 HA LYS2066 HA LYS2066 5.894 -18.309 -0.531 433 HB2 LYS2066 1HB LYS2066 3.819 -19.238 1.384 434 HB3 LYS2066 2HB LYS2066 3.256 -18.576 -0.163 435 HG2 LYS2066 1HG LYS2066 5.174 -20.157 -1.131 436 HG3 LYS2066 2HG LYS2066 4.929 -21.027 0.394 437 HD2 LYS2066 1HD LYS2066 2.760 -21.653 -0.162 438 HD3 LYS2066 2HD LYS2066 2.506 -20.261 -1.230 439 HE2 LYS2066 1HE LYS2066 2.784 -21.855 -2.858 440 HE3 LYS2066 2HE LYS2066 4.501 -21.518 -2.591 441 HZ1 LYS2066 2HZ LYS2066 2.960 -23.688 -1.268 442 HZ3 LYS2066 1HZ LYS2066 4.544 -23.394 -1.035 443 H GLU2067 H GLU2067 4.611 -16.530 2.315 444 HA GLU2067 HA GLU2067 3.610 -14.459 0.620 445 HB2 GLU2067 1HB GLU2067 2.294 -14.767 2.529 446 HB3 GLU2067 2HB GLU2067 3.692 -14.957 3.601 447 HG2 GLU2067 1HG GLU2067 3.262 -12.341 2.156 448 HG3 GLU2067 2HG GLU2067 2.285 -12.699 3.590 449 HE2 GLU2067 HE GLU2067 5.144 -12.720 5.684 450 H THR2068 H THR2068 6.608 -15.308 2.174 451 HA THR2068 HA THR2068 7.687 -12.821 2.751 452 HB THR2068 HB THR2068 8.875 -15.479 1.819 453 HG1 THR2068 1HG THR2068 9.207 -15.553 4.151 454 HG21 THR2068 3HG2 THR2068 10.316 -13.133 3.156 455 HG22 THR2068 1HG2 THR2068 11.031 -14.688 2.668 456 HG23 THR2068 2HG2 THR2068 10.485 -13.532 1.430 457 H SER2069 H SER2069 7.052 -14.365 -0.365 458 HA SER2069 HA SER2069 8.844 -12.734 -1.791 459 HB2 SER2069 1HB SER2069 6.962 -14.863 -2.325 460 HB3 SER2069 2HB SER2069 6.724 -13.568 -3.511 461 HG SER2069 HG SER2069 8.348 -14.656 -4.460 462 H PHE2070 H PHE2070 5.401 -12.528 -0.809 463 HA PHE2070 HA PHE2070 4.701 -10.392 -2.477 464 HB2 PHE2070 1HB PHE2070 3.132 -11.903 -1.246 465 HB3 PHE2070 2HB PHE2070 3.762 -11.328 0.301 466 HD1 PHE2070 2HD PHE2070 3.489 -8.777 0.749 467 HD2 PHE2070 1HD PHE2070 1.250 -10.918 -2.150 468 HE1 PHE2070 2HE PHE2070 1.730 -6.987 0.787 469 HE2 PHE2070 1HE PHE2070 -0.509 -9.128 -2.117 470 HZ PHE2070 HZ PHE2070 -0.248 -7.184 -0.647 471 H ASN2071 H ASN2071 5.801 -10.503 0.983 472 HA ASN2071 HA ASN2071 5.646 -7.761 1.343 473 HB2 ASN2071 1HB ASN2071 5.918 -9.653 3.093 474 HB3 ASN2071 2HB ASN2071 7.648 -9.605 2.733 475 HD21 ASN2071 1HD2 ASN2071 8.419 -8.812 4.586 476 HD22 ASN2071 2HD2 ASN2071 8.045 -7.258 5.255 477 H GLN2072 H GLN2072 8.049 -9.940 -0.114 478 HA GLN2072 HA GLN2072 10.165 -8.049 0.012 479 HB2 GLN2072 1HB GLN2072 9.751 -10.814 -0.951 480 HB3 GLN2072 2HB GLN2072 10.938 -9.891 -1.892 481 HG2 GLN2072 1HG GLN2072 12.073 -9.283 0.278 482 HG3 GLN2072 2HG GLN2072 10.950 -10.359 1.127 483 HE21 GLN2072 1HE2 GLN2072 13.892 -10.061 -0.432 484 HE22 GLN2072 2HE2 GLN2072 14.295 -11.730 -0.665 485 H ALA2073 H ALA2073 8.076 -9.424 -2.628 486 HA ALA2073 HA ALA2073 9.021 -8.088 -4.766 487 HB1 ALA2073 3HB ALA2073 7.064 -9.743 -4.536 488 HB2 ALA2073 1HB ALA2073 6.052 -8.320 -4.188 489 HB3 ALA2073 2HB ALA2073 6.890 -8.457 -5.751 490 H TYR2074 H TYR2074 6.680 -6.811 -2.309 491 HA TYR2074 HA TYR2074 6.916 -4.175 -3.527 492 HB2 TYR2074 1HB TYR2074 5.357 -5.236 -1.099 493 HB3 TYR2074 2HB TYR2074 5.021 -3.730 -1.957 494 HD1 TYR2074 2HD TYR2074 5.071 -4.579 -4.774 495 HD2 TYR2074 1HD TYR2074 3.466 -6.567 -1.342 496 HE1 TYR2074 2HE TYR2074 3.416 -5.816 -6.256 497 HE2 TYR2074 1HE TYR2074 1.818 -7.798 -2.836 498 HH TYR2074 HH TYR2074 1.574 -8.457 -5.085 499 H GLY2075 H GLY2075 8.327 -6.087 -1.006 500 HA2 GLY2075 2HA GLY2075 8.771 -4.559 1.133 501 HA3 GLY2075 3HA GLY2075 10.033 -5.516 0.382 502 H ARG2076 H ARG2076 10.569 -4.206 -2.010 503 HA ARG2076 HA ARG2076 11.993 -1.985 -1.021 504 HB2 ARG2076 1HB ARG2076 12.959 -3.417 -2.753 505 HB3 ARG2076 2HB ARG2076 11.610 -3.082 -3.852 506 HG2 ARG2076 1HG ARG2076 13.584 -1.746 -4.459 507 HG3 ARG2076 2HG ARG2076 12.279 -0.679 -3.909 508 HD2 ARG2076 1HD ARG2076 13.658 0.169 -2.337 509 HD3 ARG2076 2HD ARG2076 13.823 -1.433 -1.603 510 HE ARG2076 HE ARG2076 15.695 -0.131 -3.484 511 HH11 ARG2076 2HH2 ARG2076 14.766 -3.127 -1.834 512 HH12 ARG2076 1HH2 ARG2076 16.313 -3.873 -2.055 513 H ASP2077 H ASP2077 9.249 -2.485 -3.341 514 HA ASP2077 HA ASP2077 8.932 0.051 -4.205 515 HB2 ASP2077 1HB ASP2077 6.836 -2.030 -3.468 516 HB3 ASP2077 2HB ASP2077 6.449 -0.553 -4.364 517 HD2 ASP2077 HD ASP2077 7.657 -1.775 -7.339 518 H LEU2078 H LEU2078 7.228 -1.535 -1.390 519 HA LEU2078 HA LEU2078 5.909 0.690 -0.462 520 HB2 LEU2078 1HB LEU2078 6.979 -1.759 0.910 521 HB3 LEU2078 2HB LEU2078 6.015 -0.539 1.761 522 HG LEU2078 HG LEU2078 5.148 -2.252 -0.583 523 HD11 LEU2078 1HD1 LEU2078 3.615 -2.344 1.922 524 HD12 LEU2078 2HD1 LEU2078 4.187 -3.659 0.868 525 HD13 LEU2078 3HD1 LEU2078 5.285 -2.937 2.068 526 HD21 LEU2078 3HD2 LEU2078 2.914 -0.968 0.537 527 HD22 LEU2078 1HD2 LEU2078 4.145 0.299 0.319 528 HD23 LEU2078 2HD2 LEU2078 3.639 -0.699 -1.065 529 H MET2079 H MET2079 9.276 -0.427 0.162 530 HA MET2079 HA MET2079 9.879 1.349 2.153 531 HB2 MET2079 1HB MET2079 11.266 -0.368 0.213 532 HB3 MET2079 2HB MET2079 12.214 1.091 0.549 533 HG2 MET2079 1HG MET2079 11.765 0.557 3.057 534 HG3 MET2079 2HG MET2079 11.255 -1.039 2.501 535 HE1 MET2079 3HE MET2079 14.545 0.829 3.740 536 HE2 MET2079 1HE MET2079 15.341 0.939 2.152 537 HE3 MET2079 2HE MET2079 13.747 1.689 2.402 538 H GLU2080 H GLU2080 10.041 1.757 -1.433 539 HA GLU2080 HA GLU2080 11.233 4.276 -1.317 540 HB2 GLU2080 1HB GLU2080 11.308 2.915 -3.332 541 HB3 GLU2080 2HB GLU2080 9.543 2.946 -3.479 542 HG2 GLU2080 1HG GLU2080 9.538 5.284 -3.998 543 HG3 GLU2080 2HG GLU2080 11.216 5.489 -3.478 544 HE2 GLU2080 HE GLU2080 12.307 3.644 -6.397 545 H ALA2081 H ALA2081 7.787 3.279 -1.944 546 HA ALA2081 HA ALA2081 6.704 5.798 -2.078 547 HB1 ALA2081 3HB ALA2081 5.823 3.134 -2.052 548 HB2 ALA2081 1HB ALA2081 4.977 3.900 -0.686 549 HB3 ALA2081 2HB ALA2081 4.826 4.582 -2.324 550 H GLN2082 H GLN2082 7.484 3.765 0.793 551 HA GLN2082 HA GLN2082 6.238 5.372 2.653 552 HB2 GLN2082 1HB GLN2082 7.036 3.098 3.121 553 HB3 GLN2082 2HB GLN2082 8.720 3.625 2.954 554 HG2 GLN2082 1HG GLN2082 8.679 4.040 5.174 555 HG3 GLN2082 2HG GLN2082 7.624 5.417 4.821 556 HE21 GLN2082 1HE2 GLN2082 6.531 5.233 6.748 557 HE22 GLN2082 2HE2 GLN2082 5.394 3.973 7.090 558 H GLU2083 H GLU2083 9.558 5.476 1.248 559 HA GLU2083 HA GLU2083 10.533 7.432 2.944 560 HB2 GLU2083 1HB GLU2083 12.390 6.948 1.790 561 HB3 GLU2083 2HB GLU2083 11.430 5.969 0.667 562 HG2 GLU2083 1HG GLU2083 10.919 8.087 -0.614 563 HG3 GLU2083 2HG GLU2083 12.042 8.952 0.447 564 HE2 GLU2083 HE GLU2083 14.848 7.360 -0.939 565 H TRP2084 H TRP2084 8.576 7.588 -0.045 566 HA TRP2084 HA TRP2084 8.910 10.374 -0.437 567 HB2 TRP2084 1HB TRP2084 6.894 8.370 -1.437 568 HB3 TRP2084 2HB TRP2084 6.883 10.070 -1.908 569 HD1 TRP2084 HD TRP2084 8.560 6.793 -2.745 570 HE1 TRP2084 1HE TRP2084 10.350 7.040 -4.668 571 HE3 TRP2084 3HE TRP2084 8.638 11.876 -2.733 572 HZ2 TRP2084 2HZ TRP2084 11.570 9.284 -5.939 573 HZ3 TRP2084 3HZ TRP2084 10.157 13.018 -4.348 574 HH2 TRP2084 HH TRP2084 11.590 11.807 -5.912 575 H CYS2085 H CYS2085 6.762 8.258 1.477 576 HA CYS2085 HA CYS2085 4.771 10.112 2.013 577 HB2 CYS2085 1HB CYS2085 4.276 7.894 2.526 578 HB3 CYS2085 2HB CYS2085 5.760 7.659 3.464 579 HG CYS2085 HG CYS2085 4.428 7.804 5.453 580 H ARG2086 H ARG2086 7.855 9.268 3.729 581 HA ARG2086 HA ARG2086 7.491 11.021 5.822 582 HB2 ARG2086 1HB ARG2086 9.918 9.762 4.514 583 HB3 ARG2086 2HB ARG2086 10.132 10.902 5.853 584 HG2 ARG2086 1HG ARG2086 9.607 9.295 7.342 585 HG3 ARG2086 2HG ARG2086 8.059 8.989 6.534 586 HD2 ARG2086 1HD ARG2086 9.094 7.404 5.019 587 HD3 ARG2086 2HD ARG2086 10.719 7.839 5.571 588 HE ARG2086 HE ARG2086 9.065 6.936 7.771 589 HH11 ARG2086 2HH2 ARG2086 10.962 5.749 5.022 590 HH12 ARG2086 1HH2 ARG2086 11.263 4.202 5.740 591 H LYS2087 H LYS2087 9.065 11.400 2.591 592 HA LYS2087 HA LYS2087 10.212 13.874 2.959 593 HB2 LYS2087 1HB LYS2087 9.038 12.526 0.527 594 HB3 LYS2087 2HB LYS2087 9.902 14.071 0.442 595 HG2 LYS2087 1HG LYS2087 11.927 13.077 1.268 596 HG3 LYS2087 2HG LYS2087 11.095 11.584 1.737 597 HD2 LYS2087 1HD LYS2087 11.644 10.744 -0.279 598 HD3 LYS2087 2HD LYS2087 10.546 11.918 -1.022 599 HE2 LYS2087 1HE LYS2087 12.419 12.659 -2.086 600 HE3 LYS2087 2HE LYS2087 12.781 13.474 -0.557 601 HZ1 LYS2087 2HZ LYS2087 13.807 10.848 -1.477 602 HZ3 LYS2087 1HZ LYS2087 13.971 11.347 0.064 603 H TYR2088 H TYR2088 6.827 12.998 2.080 604 HA TYR2088 HA TYR2088 6.022 15.705 1.756 605 HB2 TYR2088 1HB TYR2088 4.787 13.921 0.673 606 HB3 TYR2088 2HB TYR2088 4.762 12.940 2.142 607 HD1 TYR2088 2HD TYR2088 3.226 13.588 4.027 608 HD2 TYR2088 1HD TYR2088 3.068 15.494 0.198 609 HE1 TYR2088 2HE TYR2088 0.906 14.481 4.559 610 HE2 TYR2088 1HE TYR2088 0.748 16.381 0.743 611 HH TYR2088 HH TYR2088 -0.764 16.629 2.287 612 H MET2089 H MET2089 5.490 13.221 4.357 613 HA MET2089 HA MET2089 3.986 14.685 6.029 614 HB2 MET2089 1HB MET2089 6.261 12.718 6.537 615 HB3 MET2089 2HB MET2089 5.271 13.334 7.872 616 HG2 MET2089 1HG MET2089 3.367 12.543 5.998 617 HG3 MET2089 2HG MET2089 4.625 11.321 5.795 618 HE1 MET2089 3HE MET2089 1.532 10.279 7.635 619 HE2 MET2089 1HE MET2089 1.421 11.792 8.568 620 HE3 MET2089 2HE MET2089 1.680 11.850 6.809 621 H LYS2090 H LYS2090 7.431 15.102 5.303 622 HA LYS2090 HA LYS2090 8.263 16.477 7.536 623 HB2 LYS2090 1HB LYS2090 9.475 15.648 5.356 624 HB3 LYS2090 2HB LYS2090 9.200 17.313 4.816 625 HG2 LYS2090 1HG LYS2090 10.357 16.762 7.555 626 HG3 LYS2090 2HG LYS2090 11.409 16.709 6.128 627 HD2 LYS2090 1HD LYS2090 11.445 18.964 5.975 628 HD3 LYS2090 2HD LYS2090 9.684 19.088 6.135 629 HE2 LYS2090 1HE LYS2090 10.126 20.034 8.150 630 HE3 LYS2090 2HE LYS2090 10.462 18.388 8.707 631 HZ1 LYS2090 2HZ LYS2090 12.419 20.404 7.772 632 HZ3 LYS2090 1HZ LYS2090 12.818 18.831 7.919 633 H SER2091 H SER2091 6.854 17.836 4.474 634 HA SER2091 HA SER2091 5.466 19.774 6.006 635 HB2 SER2091 1HB SER2091 8.037 20.453 4.705 636 HB3 SER2091 2HB SER2091 6.709 21.559 4.308 637 HG SER2091 HG SER2091 7.946 20.992 6.829 638 H GLY2092 H GLY2092 4.257 17.922 4.542 639 HA2 GLY2092 2HA GLY2092 2.882 17.519 2.811 640 HA3 GLY2092 3HA GLY2092 2.764 19.259 2.633 641 H ASN2093 H ASN2093 2.643 17.542 0.391 642 HA ASN2093 HA ASN2093 4.229 18.721 -1.379 643 HB2 ASN2093 1HB ASN2093 5.838 16.927 0.212 644 HB3 ASN2093 2HB ASN2093 5.742 16.258 -1.425 645 HD21 ASN2093 1HD2 ASN2093 8.002 17.394 -0.007 646 HD22 ASN2093 2HD2 ASN2093 8.590 18.732 -0.937 647 H VAL2094 H VAL2094 2.066 18.208 -2.313 648 HA VAL2094 HA VAL2094 0.967 15.728 -2.591 649 HB VAL2094 HB VAL2094 0.896 18.265 -4.169 650 HG11 VAL2094 1HG1 VAL2094 0.756 16.619 -5.928 651 HG12 VAL2094 2HG1 VAL2094 -0.434 15.668 -5.008 652 HG13 VAL2094 3HG1 VAL2094 -0.871 17.276 -5.634 653 HG21 VAL2094 3HG2 VAL2094 -0.596 18.575 -2.501 654 HG22 VAL2094 1HG2 VAL2094 -1.672 17.599 -3.530 655 HG23 VAL2094 2HG2 VAL2094 -0.777 16.831 -2.197 656 H LYS2095 H LYS2095 3.647 17.235 -4.420 657 HA LYS2095 HA LYS2095 3.745 15.508 -6.560 658 HB2 LYS2095 1HB LYS2095 5.049 17.643 -6.112 659 HB3 LYS2095 2HB LYS2095 6.183 16.647 -5.182 660 HG2 LYS2095 1HG LYS2095 6.115 15.132 -7.371 661 HG3 LYS2095 2HG LYS2095 5.596 16.640 -8.145 662 HD2 LYS2095 1HD LYS2095 7.641 17.708 -6.945 663 HD3 LYS2095 2HD LYS2095 8.198 16.045 -6.689 664 HE2 LYS2095 1HE LYS2095 8.819 15.819 -8.862 665 HE3 LYS2095 2HE LYS2095 7.327 16.555 -9.464 666 HZ1 LYS2095 2HZ LYS2095 8.278 18.654 -9.372 667 HZ3 LYS2095 1HZ LYS2095 9.599 17.781 -9.748 668 H ASP2096 H ASP2096 5.308 15.198 -3.303 669 HA ASP2096 HA ASP2096 6.432 12.717 -3.911 670 HB2 ASP2096 1HB ASP2096 5.706 14.012 -1.251 671 HB3 ASP2096 2HB ASP2096 6.699 12.553 -1.395 672 HD2 ASP2096 HD ASP2096 9.530 14.386 -1.700 673 H LEU2097 H LEU2097 3.378 13.852 -2.364 674 HA LEU2097 HA LEU2097 2.505 11.399 -1.381 675 HB2 LEU2097 1HB LEU2097 1.632 14.028 -1.452 676 HB3 LEU2097 2HB LEU2097 0.367 13.129 -2.307 677 HG LEU2097 HG LEU2097 1.357 12.721 0.522 678 HD11 LEU2097 1HD1 LEU2097 -0.877 13.329 1.185 679 HD12 LEU2097 2HD1 LEU2097 -0.223 14.596 0.122 680 HD13 LEU2097 3HD1 LEU2097 -1.402 13.423 -0.514 681 HD21 LEU2097 3HD2 LEU2097 0.594 10.664 -1.121 682 HD22 LEU2097 1HD2 LEU2097 0.469 10.672 0.655 683 HD23 LEU2097 2HD2 LEU2097 -0.942 11.109 -0.337 684 H THR2098 H THR2098 1.959 13.021 -4.572 685 HA THR2098 HA THR2098 0.316 11.004 -5.617 686 HB THR2098 HB THR2098 2.102 13.183 -6.793 687 HG1 THR2098 1HG THR2098 0.208 14.081 -6.018 688 HG21 THR2098 3HG2 THR2098 -0.008 11.539 -8.276 689 HG22 THR2098 1HG2 THR2098 1.041 12.809 -8.950 690 HG23 THR2098 2HG2 THR2098 1.740 11.249 -8.456 691 H GLN2099 H GLN2099 3.889 11.429 -5.620 692 HA GLN2099 HA GLN2099 4.364 9.304 -7.341 693 HB2 GLN2099 1HB GLN2099 5.869 11.244 -6.030 694 HB3 GLN2099 2HB GLN2099 6.462 9.731 -5.320 695 HG2 GLN2099 1HG GLN2099 7.432 9.060 -7.275 696 HG3 GLN2099 2HG GLN2099 6.100 9.665 -8.272 697 HE21 GLN2099 1HE2 GLN2099 5.943 12.012 -8.535 698 HE22 GLN2099 2HE2 GLN2099 7.390 12.956 -8.660 699 H ALA2100 H ALA2100 4.186 9.525 -3.737 700 HA ALA2100 HA ALA2100 4.905 6.852 -3.267 701 HB1 ALA2100 3HB ALA2100 4.922 8.782 -1.632 702 HB2 ALA2100 1HB ALA2100 3.148 8.659 -1.564 703 HB3 ALA2100 2HB ALA2100 4.155 7.297 -1.016 704 H TRP2101 H TRP2101 1.702 8.523 -3.581 705 HA TRP2101 HA TRP2101 0.118 6.311 -3.084 706 HB2 TRP2101 1HB TRP2101 -0.183 8.986 -4.109 707 HB3 TRP2101 2HB TRP2101 -1.203 7.865 -5.014 708 HD1 TRP2101 HD TRP2101 -1.163 9.800 -1.826 709 HE1 TRP2101 1HE TRP2101 -3.156 9.179 -0.212 710 HE3 TRP2101 3HE TRP2101 -2.553 5.586 -4.309 711 HZ2 TRP2101 2HZ TRP2101 -5.048 7.043 -0.157 712 HZ3 TRP2101 3HZ TRP2101 -4.484 4.291 -3.408 713 HH2 TRP2101 HH TRP2101 -5.717 4.958 -1.407 714 H ASP2102 H ASP2102 1.869 7.421 -6.012 715 HA ASP2102 HA ASP2102 0.628 5.743 -7.814 716 HB2 ASP2102 1HB ASP2102 2.415 7.688 -8.061 717 HB3 ASP2102 2HB ASP2102 3.584 6.360 -8.005 718 HD2 ASP2102 HD ASP2102 3.209 5.777 -11.318 719 H LEU2103 H LEU2103 3.686 5.393 -5.869 720 HA LEU2103 HA LEU2103 4.439 2.903 -6.785 721 HB2 LEU2103 1HB LEU2103 4.916 4.516 -4.335 722 HB3 LEU2103 2HB LEU2103 5.416 2.816 -4.328 723 HG LEU2103 HG LEU2103 6.597 3.478 -6.584 724 HD11 LEU2103 1HD1 LEU2103 6.256 6.162 -5.223 725 HD12 LEU2103 2HD1 LEU2103 7.460 5.824 -6.491 726 HD13 LEU2103 3HD1 LEU2103 5.722 5.689 -6.855 727 HD21 LEU2103 3HD2 LEU2103 8.641 3.907 -5.382 728 HD22 LEU2103 1HD2 LEU2103 7.735 4.389 -3.928 729 HD23 LEU2103 2HD2 LEU2103 7.682 2.701 -4.491 730 H TYR2104 H TYR2104 2.393 3.752 -3.908 731 HA TYR2104 HA TYR2104 1.888 1.181 -3.064 732 HB2 TYR2104 1HB TYR2104 0.294 3.800 -3.185 733 HB3 TYR2104 2HB TYR2104 -0.325 2.405 -2.298 734 HD1 TYR2104 1HD TYR2104 2.328 1.434 -1.156 735 HD2 TYR2104 2HD TYR2104 0.594 5.338 -1.413 736 HE1 TYR2104 1HE TYR2104 3.656 2.166 0.883 737 HE2 TYR2104 2HE TYR2104 1.928 6.056 0.629 738 HH TYR2104 HH TYR2104 3.208 5.400 2.261 739 H TYR2105 H TYR2105 -0.168 3.223 -5.267 740 HA TYR2105 HA TYR2105 -2.130 1.412 -5.785 741 HB2 TYR2105 1HB TYR2105 -1.379 3.903 -6.605 742 HB3 TYR2105 2HB TYR2105 -0.839 3.010 -8.030 743 HD1 TYR2105 1HD TYR2105 -3.134 0.912 -7.886 744 HD2 TYR2105 2HD TYR2105 -3.072 5.186 -7.727 745 HE1 TYR2105 1HE TYR2105 -5.502 0.987 -8.810 746 HE2 TYR2105 2HE TYR2105 -5.440 5.248 -8.652 747 HH TYR2105 HH TYR2105 -6.926 3.936 -9.875 748 H HIS2106 H HIS2106 1.177 1.565 -7.181 749 HA HIS2106 HA HIS2106 0.721 -0.277 -9.225 750 HB2 HIS2106 1HB HIS2106 2.966 1.105 -7.998 751 HB3 HIS2106 2HB HIS2106 3.400 -0.533 -8.495 752 HD1 HIS2106 1HD HIS2106 3.706 2.683 -9.764 753 HD2 HIS2106 2HD HIS2106 2.066 -0.826 -11.375 754 HE1 HIS2106 1HE HIS2106 3.711 2.989 -12.297 755 HE2 HIS2106 2HE HIS2106 2.686 0.802 -13.243 756 H VAL2107 H VAL2107 1.794 -0.643 -5.799 757 HA VAL2107 HA VAL2107 2.075 -3.480 -6.080 758 HB VAL2107 HB VAL2107 3.013 -3.399 -4.033 759 HG11 VAL2107 1HG1 VAL2107 4.422 -1.594 -3.915 760 HG12 VAL2107 2HG1 VAL2107 3.774 -1.352 -5.556 761 HG13 VAL2107 3HG1 VAL2107 3.120 -0.413 -4.192 762 HG21 VAL2107 3HG2 VAL2107 0.898 -2.934 -2.860 763 HG22 VAL2107 1HG2 VAL2107 2.259 -2.038 -2.144 764 HG23 VAL2107 2HG2 VAL2107 1.096 -1.197 -3.195 765 H PHE2108 H PHE2108 -0.378 -1.149 -4.878 766 HA PHE2108 HA PHE2108 -2.043 -3.115 -3.736 767 HB2 PHE2108 1HB PHE2108 -2.102 -0.228 -4.608 768 HB3 PHE2108 2HB PHE2108 -3.681 -0.991 -4.401 769 HD1 PHE2108 2HD PHE2108 -0.644 0.157 -2.713 770 HD2 PHE2108 1HD PHE2108 -4.453 -1.641 -2.197 771 HE1 PHE2108 2HE PHE2108 -0.511 0.584 -0.243 772 HE2 PHE2108 1HE PHE2108 -4.319 -1.213 0.273 773 HZ PHE2108 HZ PHE2108 -2.350 -0.106 1.220 774 H ARG2109 H ARG2109 -1.662 -1.762 -7.019 775 HA ARG2109 HA ARG2109 -4.119 -2.875 -7.896 776 HB2 ARG2109 1HB ARG2109 -3.518 -2.001 -10.066 777 HB3 ARG2109 2HB ARG2109 -2.978 -0.802 -8.877 778 HG2 ARG2109 1HG ARG2109 -0.688 -1.630 -9.027 779 HG3 ARG2109 2HG ARG2109 -1.189 -2.964 -10.083 780 HD2 ARG2109 1HD ARG2109 -1.835 -0.146 -10.922 781 HD3 ARG2109 2HD ARG2109 -0.158 -0.690 -11.075 782 HE ARG2109 HE ARG2109 -1.624 -2.746 -12.215 783 HH11 ARG2109 2HH2 ARG2109 -1.487 0.751 -12.768 784 HH12 ARG2109 1HH2 ARG2109 -1.909 0.628 -14.444 785 H ARG2110 H ARG2110 -0.663 -3.771 -7.831 786 HA ARG2110 HA ARG2110 -0.791 -5.779 -9.733 787 HB2 ARG2110 1HB ARG2110 1.036 -5.082 -7.440 788 HB3 ARG2110 2HB ARG2110 1.238 -6.668 -8.206 789 HG2 ARG2110 1HG ARG2110 1.090 -4.119 -9.843 790 HG3 ARG2110 2HG ARG2110 2.623 -4.654 -9.129 791 HD2 ARG2110 1HD ARG2110 1.343 -6.896 -10.436 792 HD3 ARG2110 2HD ARG2110 1.406 -5.536 -11.568 793 HE ARG2110 HE ARG2110 3.781 -5.620 -11.510 794 HH11 ARG2110 2HH2 ARG2110 2.388 -7.910 -9.194 795 HH12 ARG2110 1HH2 ARG2110 3.882 -8.749 -8.936 796 H ILE2111 H ILE2111 -1.027 -5.854 -6.106 797 HA ILE2111 HA ILE2111 -1.234 -8.512 -5.670 798 HB ILE2111 HB ILE2111 -2.819 -7.821 -3.786 799 HG12 ILE2111 1HG1 ILE2111 -2.150 -5.079 -4.879 800 HG13 ILE2111 2HG1 ILE2111 -3.757 -5.826 -4.848 801 HG21 ILE2111 1HG2 ILE2111 -1.021 -7.236 -2.475 802 HG22 ILE2111 2HG2 ILE2111 -0.205 -7.986 -3.868 803 HG23 ILE2111 3HG2 ILE2111 -0.289 -6.212 -3.735 804 HD11 ILE2111 3HD1 ILE2111 -3.216 -6.066 -2.244 805 HD12 ILE2111 1HD1 ILE2111 -2.095 -4.727 -2.585 806 HD13 ILE2111 2HD1 ILE2111 -3.835 -4.535 -2.907 807 H SER2112 H SER2112 -3.535 -6.397 -7.320 808 HA SER2112 HA SER2112 -5.524 -8.492 -7.245 809 HB2 SER2112 1HB SER2112 -6.403 -6.309 -6.836 810 HB3 SER2112 2HB SER2112 -5.552 -5.614 -8.226 811 HG SER2112 HG SER2112 -6.925 -6.918 -9.613 812 H LYS2113 H LYS2113 -3.794 -6.398 -9.669 813 HA LYS2113 HA LYS2113 -4.644 -7.466 -11.977 814 HB2 LYS2113 1HB LYS2113 -2.382 -5.976 -11.063 815 HB3 LYS2113 2HB LYS2113 -1.829 -7.168 -12.253 816 HG2 LYS2113 1HG LYS2113 -4.353 -5.754 -12.939 817 HG3 LYS2113 2HG LYS2113 -2.915 -4.720 -12.883 818 HD2 LYS2113 1HD LYS2113 -1.791 -6.535 -14.347 819 HD3 LYS2113 2HD LYS2113 -3.425 -7.165 -14.618 820 HE2 LYS2113 1HE LYS2113 -4.055 -4.777 -15.340 821 HE3 LYS2113 2HE LYS2113 -2.321 -4.422 -15.356 822 HZ1 LYS2113 2HZ LYS2113 -3.743 -6.438 -17.004 823 HZ3 LYS2113 1HZ LYS2113 -2.119 -6.369 -16.914 824 H GLN2114 H GLN2114 -4.043 -9.208 -13.381 825 HA GLN2114 HA GLN2114 -3.717 -11.320 -13.782 826 HB2 GLN2114 1HB GLN2114 -1.243 -10.273 -12.731 827 HB3 GLN2114 2HB GLN2114 -1.374 -11.984 -12.288 828 HG2 GLN2114 1HG GLN2114 -2.132 -12.233 -14.826 829 HG3 GLN2114 2HG GLN2114 -1.259 -10.705 -15.023 830 HE21 GLN2114 1HE2 GLN2114 0.910 -10.667 -14.986 831 HE22 GLN2114 2HE2 GLN2114 1.935 -12.055 -14.825 Start of MODEL 4 1 H MET2014 H MET2014 -10.512 -8.936 -17.829 2 HA MET2014 HA MET2014 -12.958 -8.222 -16.454 3 HB2 MET2014 1HB MET2014 -11.542 -10.649 -17.070 4 HB3 MET2014 2HB MET2014 -11.558 -10.502 -15.305 5 HG2 MET2014 1HG MET2014 -13.603 -11.537 -15.573 6 HG3 MET2014 2HG MET2014 -14.149 -9.874 -15.807 7 HE1 MET2014 3HE MET2014 -15.188 -9.615 -19.348 8 HE2 MET2014 1HE MET2014 -15.864 -9.565 -17.702 9 HE3 MET2014 2HE MET2014 -14.338 -8.723 -18.064 10 H GLU2015 H GLU2015 -12.839 -8.531 -13.927 11 HA GLU2015 HA GLU2015 -10.574 -6.933 -13.083 12 HB2 GLU2015 1HB GLU2015 -13.347 -6.859 -12.527 13 HB3 GLU2015 2HB GLU2015 -12.573 -7.358 -11.013 14 HG2 GLU2015 1HG GLU2015 -10.887 -5.370 -11.717 15 HG3 GLU2015 2HG GLU2015 -12.340 -4.783 -12.541 16 HE2 GLU2015 HE GLU2015 -12.834 -3.321 -9.413 17 H LEU2016 H LEU2016 -11.750 -10.167 -13.076 18 HA LEU2016 HA LEU2016 -11.091 -12.027 -12.087 19 HB2 LEU2016 1HB LEU2016 -8.743 -10.334 -12.180 20 HB3 LEU2016 2HB LEU2016 -8.665 -11.501 -10.848 21 HG LEU2016 HG LEU2016 -7.572 -12.421 -12.775 22 HD11 LEU2016 1HD1 LEU2016 -10.029 -14.017 -13.028 23 HD12 LEU2016 2HD1 LEU2016 -8.394 -14.488 -12.505 24 HD13 LEU2016 3HD1 LEU2016 -9.511 -13.716 -11.353 25 HD21 LEU2016 3HD2 LEU2016 -9.998 -12.501 -14.487 26 HD22 LEU2016 1HD2 LEU2016 -9.184 -10.927 -14.314 27 HD23 LEU2016 2HD2 LEU2016 -8.280 -12.335 -14.923 28 H ILE2017 H ILE2017 -12.138 -12.836 -10.358 29 HA ILE2017 HA ILE2017 -12.929 -11.273 -8.216 30 HB ILE2017 HB ILE2017 -13.637 -13.651 -9.194 31 HG12 ILE2017 1HG1 ILE2017 -14.125 -13.078 -6.282 32 HG13 ILE2017 2HG1 ILE2017 -14.779 -12.018 -7.545 33 HG21 ILE2017 1HG2 ILE2017 -13.123 -15.444 -7.631 34 HG22 ILE2017 2HG2 ILE2017 -11.633 -14.800 -8.361 35 HG23 ILE2017 3HG2 ILE2017 -12.074 -14.354 -6.694 36 HD11 ILE2017 3HD1 ILE2017 -15.249 -15.026 -7.299 37 HD12 ILE2017 1HD1 ILE2017 -16.423 -13.750 -6.899 38 HD13 ILE2017 2HD1 ILE2017 -15.903 -13.985 -8.584 39 H ARG2018 H ARG2018 -12.392 -12.096 -5.807 40 HA ARG2018 HA ARG2018 -9.570 -12.595 -5.575 41 HB2 ARG2018 1HB ARG2018 -10.969 -10.090 -4.568 42 HB3 ARG2018 2HB ARG2018 -9.464 -10.658 -3.827 43 HG2 ARG2018 1HG ARG2018 -8.806 -10.748 -6.486 44 HG3 ARG2018 2HG ARG2018 -9.936 -9.381 -6.481 45 HD2 ARG2018 1HD ARG2018 -8.096 -9.237 -4.215 46 HD3 ARG2018 2HD ARG2018 -7.199 -9.355 -5.736 47 HE ARG2018 HE ARG2018 -9.334 -7.448 -6.009 48 HH11 ARG2018 2HH2 ARG2018 -6.173 -7.809 -4.453 49 HH12 ARG2018 1HH2 ARG2018 -5.842 -6.109 -4.447 50 H VAL2019 H VAL2019 -9.043 -12.677 -3.011 51 HA VAL2019 HA VAL2019 -11.166 -14.327 -1.883 52 HB VAL2019 HB VAL2019 -8.208 -14.038 -1.467 53 HG11 VAL2019 1HG1 VAL2019 -9.302 -13.992 0.782 54 HG12 VAL2019 2HG1 VAL2019 -10.048 -15.563 0.405 55 HG13 VAL2019 3HG1 VAL2019 -8.276 -15.421 0.510 56 HG21 VAL2019 3HG2 VAL2019 -8.276 -16.496 -1.787 57 HG22 VAL2019 1HG2 VAL2019 -10.040 -16.398 -2.013 58 HG23 VAL2019 2HG2 VAL2019 -8.948 -15.602 -3.172 59 HA PRO2020 HA PRO2020 -12.192 -11.112 0.845 60 HB2 PRO2020 1HB PRO2020 -13.927 -12.484 2.450 61 HB3 PRO2020 2HB PRO2020 -14.394 -11.779 0.903 62 HG2 PRO2020 1HG PRO2020 -13.839 -14.587 1.618 63 HG3 PRO2020 2HG PRO2020 -14.764 -13.948 0.213 64 HD2 PRO2020 1HD PRO2020 -12.114 -15.033 0.256 65 HD3 PRO2020 2HD PRO2020 -12.919 -14.271 -1.122 66 H ILE2021 H ILE2021 -10.879 -14.118 1.909 67 HA ILE2021 HA ILE2021 -9.944 -12.714 4.314 68 HB ILE2021 HB ILE2021 -9.697 -15.086 5.214 69 HG12 ILE2021 1HG1 ILE2021 -10.150 -15.986 2.798 70 HG13 ILE2021 2HG1 ILE2021 -10.725 -16.880 4.219 71 HG21 ILE2021 1HG2 ILE2021 -12.165 -15.172 5.803 72 HG22 ILE2021 2HG2 ILE2021 -11.305 -13.661 6.187 73 HG23 ILE2021 3HG2 ILE2021 -12.362 -13.743 4.758 74 HD11 ILE2021 3HD1 ILE2021 -12.944 -16.364 3.798 75 HD12 ILE2021 1HD1 ILE2021 -12.549 -14.792 3.062 76 HD13 ILE2021 2HD1 ILE2021 -12.325 -16.294 2.129 77 H LEU2022 H LEU2022 -8.020 -11.855 3.557 78 HA LEU2022 HA LEU2022 -5.814 -13.513 3.471 79 HB2 LEU2022 1HB LEU2022 -7.243 -13.670 1.082 80 HB3 LEU2022 2HB LEU2022 -5.871 -12.607 0.729 81 HG LEU2022 HG LEU2022 -5.389 -14.938 0.183 82 HD11 LEU2022 1HD1 LEU2022 -3.803 -13.885 2.539 83 HD12 LEU2022 2HD1 LEU2022 -3.275 -15.186 1.444 84 HD13 LEU2022 3HD1 LEU2022 -3.525 -13.538 0.815 85 HD21 LEU2022 3HD2 LEU2022 -6.774 -16.174 1.647 86 HD22 LEU2022 1HD2 LEU2022 -5.100 -16.578 2.090 87 HD23 LEU2022 2HD2 LEU2022 -6.035 -15.442 3.092 88 H TRP2023 H TRP2023 -4.015 -12.053 1.931 89 HA TRP2023 HA TRP2023 -3.892 -9.649 3.478 90 HB2 TRP2023 1HB TRP2023 -2.124 -11.180 1.673 91 HB3 TRP2023 2HB TRP2023 -1.847 -9.438 1.729 92 HD1 TRP2023 HD TRP2023 -3.006 -10.989 5.002 93 HE1 TRP2023 1HE TRP2023 -1.064 -11.101 6.785 94 HE3 TRP2023 3HE TRP2023 0.728 -9.743 1.784 95 HZ2 TRP2023 2HZ TRP2023 1.754 -10.666 6.652 96 HZ3 TRP2023 3HZ TRP2023 3.047 -9.610 2.693 97 HH2 TRP2023 HH TRP2023 3.587 -10.047 5.035 98 H HIS2024 H HIS2024 -4.171 -10.526 -0.041 99 HA HIS2024 HA HIS2024 -4.289 -8.036 -1.095 100 HB2 HIS2024 1HB HIS2024 -6.151 -10.186 -2.058 101 HB3 HIS2024 2HB HIS2024 -5.226 -9.010 -2.998 102 HD1 HIS2024 1HD HIS2024 -4.980 -12.369 -1.341 103 HD2 HIS2024 2HD HIS2024 -2.508 -9.722 -3.456 104 HE1 HIS2024 1HE HIS2024 -2.882 -13.687 -1.954 105 HE2 HIS2024 2HE HIS2024 -1.389 -12.009 -3.250 106 H GLU2025 H GLU2025 -6.569 -9.569 1.064 107 HA GLU2025 HA GLU2025 -8.791 -8.019 0.284 108 HB2 GLU2025 1HB GLU2025 -9.175 -10.116 1.385 109 HB3 GLU2025 2HB GLU2025 -8.168 -9.662 2.771 110 HG2 GLU2025 1HG GLU2025 -10.362 -9.328 3.556 111 HG3 GLU2025 2HG GLU2025 -9.872 -7.697 3.072 112 HE2 GLU2025 HE GLU2025 -13.056 -8.027 1.575 113 H MET2026 H MET2026 -6.100 -7.670 2.609 114 HA MET2026 HA MET2026 -7.278 -5.508 3.980 115 HB2 MET2026 1HB MET2026 -5.218 -5.460 5.175 116 HB3 MET2026 2HB MET2026 -5.338 -7.154 4.672 117 HG2 MET2026 1HG MET2026 -3.191 -6.751 3.939 118 HG3 MET2026 2HG MET2026 -4.033 -6.147 2.510 119 HE1 MET2026 3HE MET2026 -1.094 -4.894 4.870 120 HE2 MET2026 1HE MET2026 -1.300 -5.701 3.297 121 HE3 MET2026 2HE MET2026 -0.901 -3.968 3.360 122 H TRP2027 H TRP2027 -5.265 -5.874 1.071 123 HA TRP2027 HA TRP2027 -4.463 -3.148 0.960 124 HB2 TRP2027 1HB TRP2027 -4.506 -5.340 -1.113 125 HB3 TRP2027 2HB TRP2027 -3.797 -3.742 -1.363 126 HD1 TRP2027 HD TRP2027 -3.257 -6.878 0.886 127 HE1 TRP2027 1HE TRP2027 -0.735 -7.060 1.640 128 HE3 TRP2027 3HE TRP2027 -1.782 -2.457 -1.149 129 HZ2 TRP2027 2HZ TRP2027 1.542 -5.373 1.308 130 HZ3 TRP2027 3HZ TRP2027 0.609 -1.799 -0.889 131 HH2 TRP2027 HH TRP2027 2.248 -3.175 0.290 132 H HIS2028 H HIS2028 -6.980 -5.192 -0.675 133 HA HIS2028 HA HIS2028 -8.054 -3.215 -2.252 134 HB2 HIS2028 1HB HIS2028 -8.950 -5.167 -2.874 135 HB3 HIS2028 2HB HIS2028 -8.853 -5.859 -1.250 136 HD1 HIS2028 1HD HIS2028 -11.133 -3.915 -3.541 137 HD2 HIS2028 2HD HIS2028 -11.191 -5.578 0.309 138 HE1 HIS2028 1HE HIS2028 -13.565 -3.850 -2.770 139 HE2 HIS2028 2HE HIS2028 -13.547 -4.883 -0.393 140 H GLU2029 H GLU2029 -9.216 -4.324 1.015 141 HA GLU2029 HA GLU2029 -11.031 -2.196 1.201 142 HB2 GLU2029 1HB GLU2029 -11.345 -2.953 3.513 143 HB3 GLU2029 2HB GLU2029 -11.308 -4.341 2.413 144 HG2 GLU2029 1HG GLU2029 -9.707 -5.213 3.743 145 HG3 GLU2029 2HG GLU2029 -8.615 -3.954 3.144 146 HE2 GLU2029 HE GLU2029 -9.284 -1.913 5.997 147 H GLY2030 H GLY2030 -7.612 -2.642 2.032 148 HA2 GLY2030 2HA GLY2030 -7.313 -0.574 3.904 149 HA3 GLY2030 3HA GLY2030 -6.063 -1.251 2.877 150 H LEU2031 H LEU2031 -6.393 -0.573 0.378 151 HA LEU2031 HA LEU2031 -5.971 2.185 0.300 152 HB2 LEU2031 1HB LEU2031 -5.469 0.073 -1.308 153 HB3 LEU2031 2HB LEU2031 -6.794 0.850 -2.195 154 HG LEU2031 HG LEU2031 -5.548 2.843 -2.490 155 HD11 LEU2031 1HD1 LEU2031 -3.869 1.791 -0.253 156 HD12 LEU2031 2HD1 LEU2031 -3.108 2.847 -1.469 157 HD13 LEU2031 3HD1 LEU2031 -4.512 3.426 -0.540 158 HD21 LEU2031 3HD2 LEU2031 -4.400 1.929 -4.151 159 HD22 LEU2031 1HD2 LEU2031 -3.159 1.357 -3.011 160 HD23 LEU2031 2HD2 LEU2031 -4.569 0.334 -3.380 161 H GLU2032 H GLU2032 -8.886 0.170 -0.080 162 HA GLU2032 HA GLU2032 -10.496 1.972 -1.346 163 HB2 GLU2032 1HB GLU2032 -10.808 -0.437 0.281 164 HB3 GLU2032 2HB GLU2032 -12.174 0.672 0.495 165 HG2 GLU2032 1HG GLU2032 -11.085 -0.352 -2.164 166 HG3 GLU2032 2HG GLU2032 -12.568 -0.917 -1.378 167 HE2 GLU2032 HE GLU2032 -13.188 1.763 -3.873 168 H GLU2033 H GLU2033 -10.021 1.502 2.227 169 HA GLU2033 HA GLU2033 -11.677 3.671 2.870 170 HB2 GLU2033 1HB GLU2033 -11.252 1.826 4.427 171 HB3 GLU2033 2HB GLU2033 -9.533 2.246 4.506 172 HG2 GLU2033 1HG GLU2033 -9.905 3.989 5.933 173 HG3 GLU2033 2HG GLU2033 -11.390 4.491 5.108 174 HE2 GLU2033 HE GLU2033 -12.949 3.307 7.946 175 H ALA2034 H ALA2034 -8.078 3.231 2.744 176 HA ALA2034 HA ALA2034 -7.348 5.741 3.597 177 HB1 ALA2034 3HB ALA2034 -5.664 4.104 3.371 178 HB2 ALA2034 1HB ALA2034 -6.129 3.725 1.695 179 HB3 ALA2034 2HB ALA2034 -5.308 5.261 2.067 180 H SER2035 H SER2035 -8.137 4.589 0.251 181 HA SER2035 HA SER2035 -7.591 6.954 -1.021 182 HB2 SER2035 1HB SER2035 -7.964 4.924 -2.262 183 HB3 SER2035 2HB SER2035 -9.616 4.766 -1.645 184 HG SER2035 HG SER2035 -10.298 6.422 -2.960 185 H ARG2036 H ARG2036 -10.663 5.742 0.474 186 HA ARG2036 HA ARG2036 -12.288 7.771 -0.310 187 HB2 ARG2036 1HB ARG2036 -12.383 5.587 1.498 188 HB3 ARG2036 2HB ARG2036 -12.867 6.998 2.454 189 HG2 ARG2036 1HG ARG2036 -14.743 7.411 1.129 190 HG3 ARG2036 2HG ARG2036 -14.062 6.604 -0.295 191 HD2 ARG2036 1HD ARG2036 -14.975 4.619 0.305 192 HD3 ARG2036 2HD ARG2036 -14.364 4.747 1.962 193 HE ARG2036 HE ARG2036 -16.460 6.540 1.923 194 HH11 ARG2036 2HH2 ARG2036 -16.197 3.127 1.009 195 HH12 ARG2036 1HH2 ARG2036 -17.849 2.770 1.384 196 H LEU2037 H LEU2037 -9.911 7.611 2.371 197 HA LEU2037 HA LEU2037 -10.759 10.014 3.613 198 HB2 LEU2037 1HB LEU2037 -8.142 8.527 3.768 199 HB3 LEU2037 2HB LEU2037 -8.674 9.809 4.870 200 HG LEU2037 HG LEU2037 -10.524 7.520 4.623 201 HD11 LEU2037 1HD1 LEU2037 -9.025 5.891 4.824 202 HD12 LEU2037 2HD1 LEU2037 -7.691 7.043 5.073 203 HD13 LEU2037 3HD1 LEU2037 -8.686 6.521 6.455 204 HD21 LEU2037 3HD2 LEU2037 -10.191 7.783 7.222 205 HD22 LEU2037 1HD2 LEU2037 -9.480 9.345 6.752 206 HD23 LEU2037 2HD2 LEU2037 -11.155 8.956 6.294 207 H TYR2038 H TYR2038 -8.475 9.153 1.003 208 HA TYR2038 HA TYR2038 -7.310 11.761 0.917 209 HB2 TYR2038 1HB TYR2038 -6.223 9.599 0.197 210 HB3 TYR2038 2HB TYR2038 -7.482 9.368 -1.021 211 HD1 TYR2038 2HD TYR2038 -4.931 11.936 -0.009 212 HD2 TYR2038 1HD TYR2038 -6.974 9.959 -3.206 213 HE1 TYR2038 2HE TYR2038 -3.512 13.193 -1.703 214 HE2 TYR2038 1HE TYR2038 -5.549 11.222 -4.889 215 HH TYR2038 HH TYR2038 -4.235 13.064 -5.106 216 H PHE2039 H PHE2039 -9.577 9.907 -1.239 217 HA PHE2039 HA PHE2039 -10.051 12.171 -2.873 218 HB2 PHE2039 1HB PHE2039 -11.291 9.420 -2.376 219 HB3 PHE2039 2HB PHE2039 -12.039 10.528 -3.532 220 HD1 PHE2039 1HD PHE2039 -8.877 8.740 -2.762 221 HD2 PHE2039 2HD PHE2039 -11.228 10.666 -5.725 222 HE1 PHE2039 1HE PHE2039 -7.304 7.924 -4.539 223 HE2 PHE2039 2HE PHE2039 -9.654 9.850 -7.503 224 HZ PHE2039 HZ PHE2039 -7.712 8.490 -6.890 225 H GLY2040 H GLY2040 -11.895 10.501 -0.240 226 HA2 GLY2040 2HA GLY2040 -14.228 12.001 -0.365 227 HA3 GLY2040 3HA GLY2040 -13.588 11.205 1.058 228 H GLU2041 H GLU2041 -11.322 12.502 1.776 229 HA GLU2041 HA GLU2041 -11.979 15.330 1.726 230 HB2 GLU2041 1HB GLU2041 -11.286 15.326 4.234 231 HB3 GLU2041 2HB GLU2041 -12.920 14.786 3.816 232 HG2 GLU2041 1HG GLU2041 -10.723 12.737 3.897 233 HG3 GLU2041 2HG GLU2041 -11.317 13.364 5.444 234 HE2 GLU2041 HE GLU2041 -13.562 10.737 5.050 235 H ARG2042 H ARG2042 -9.959 16.374 3.273 236 HA ARG2042 HA ARG2042 -7.654 15.479 1.773 237 HB2 ARG2042 1HB ARG2042 -8.658 18.053 2.751 238 HB3 ARG2042 2HB ARG2042 -6.963 17.817 3.212 239 HG2 ARG2042 1HG ARG2042 -7.367 18.941 0.959 240 HG3 ARG2042 2HG ARG2042 -6.297 17.529 0.913 241 HD2 ARG2042 1HD ARG2042 -7.719 16.405 -0.450 242 HD3 ARG2042 2HD ARG2042 -9.117 16.771 0.572 243 HE ARG2042 HE ARG2042 -8.247 19.095 -0.935 244 HH11 ARG2042 2HH2 ARG2042 -10.093 16.084 -1.219 245 HH12 ARG2042 1HH2 ARG2042 -11.073 16.663 -2.527 246 H ASN2043 H ASN2043 -8.537 13.851 3.989 247 HA ASN2043 HA ASN2043 -6.760 14.578 6.144 248 HB2 ASN2043 1HB ASN2043 -8.768 12.295 5.829 249 HB3 ASN2043 2HB ASN2043 -7.838 12.600 7.304 250 HD21 ASN2043 1HD2 ASN2043 -9.858 12.801 8.373 251 HD22 ASN2043 2HD2 ASN2043 -10.771 14.271 8.314 252 H VAL2044 H VAL2044 -4.767 14.139 4.824 253 HA VAL2044 HA VAL2044 -4.321 11.639 3.622 254 HB VAL2044 HB VAL2044 -2.604 13.943 4.501 255 HG11 VAL2044 1HG1 VAL2044 -0.829 12.603 3.037 256 HG12 VAL2044 2HG1 VAL2044 -0.965 12.369 4.796 257 HG13 VAL2044 3HG1 VAL2044 -1.721 11.206 3.681 258 HG21 VAL2044 3HG2 VAL2044 -2.943 12.813 1.721 259 HG22 VAL2044 1HG2 VAL2044 -4.127 13.944 2.421 260 HG23 VAL2044 2HG2 VAL2044 -2.431 14.445 2.215 261 H LYS2045 H LYS2045 -4.659 12.523 6.894 262 HA LYS2045 HA LYS2045 -2.674 10.820 7.998 263 HB2 LYS2045 1HB LYS2045 -3.954 11.197 10.101 264 HB3 LYS2045 2HB LYS2045 -3.442 12.681 9.281 265 HG2 LYS2045 1HG LYS2045 -5.590 13.355 9.350 266 HG3 LYS2045 2HG LYS2045 -5.978 12.074 8.189 267 HD2 LYS2045 1HD LYS2045 -7.404 11.442 9.875 268 HD3 LYS2045 2HD LYS2045 -5.960 10.598 10.462 269 HE2 LYS2045 1HE LYS2045 -5.515 12.266 12.085 270 HE3 LYS2045 2HE LYS2045 -6.540 13.465 11.283 271 HZ1 LYS2045 2HZ LYS2045 -8.299 11.516 11.838 272 HZ3 LYS2045 1HZ LYS2045 -8.024 12.770 12.838 273 H GLY2046 H GLY2046 -6.130 10.496 7.081 274 HA2 GLY2046 2HA GLY2046 -6.661 8.039 8.283 275 HA3 GLY2046 3HA GLY2046 -7.439 8.686 6.852 276 H MET2047 H MET2047 -5.655 8.721 4.845 277 HA MET2047 HA MET2047 -5.438 6.088 4.119 278 HB2 MET2047 1HB MET2047 -3.537 7.322 2.560 279 HB3 MET2047 2HB MET2047 -5.277 7.464 2.254 280 HG2 MET2047 1HG MET2047 -5.387 9.620 3.171 281 HG3 MET2047 2HG MET2047 -3.972 9.377 4.198 282 HE1 MET2047 3HE MET2047 -1.802 8.153 1.757 283 HE2 MET2047 1HE MET2047 -0.995 9.729 1.929 284 HE3 MET2047 2HE MET2047 -1.714 8.939 3.353 285 H PHE2048 H PHE2048 -2.990 8.309 5.573 286 HA PHE2048 HA PHE2048 -0.861 6.470 5.353 287 HB2 PHE2048 1HB PHE2048 -1.581 9.026 6.814 288 HB3 PHE2048 2HB PHE2048 -0.158 8.152 7.388 289 HD1 PHE2048 2HD PHE2048 0.693 7.141 4.609 290 HD2 PHE2048 1HD PHE2048 -0.454 10.968 6.045 291 HE1 PHE2048 2HE PHE2048 2.067 8.227 2.811 292 HE2 PHE2048 1HE PHE2048 0.922 12.053 4.247 293 HZ PHE2048 HZ PHE2048 2.164 10.670 2.651 294 H GLU2049 H GLU2049 -3.337 7.172 7.855 295 HA GLU2049 HA GLU2049 -2.056 5.548 9.784 296 HB2 GLU2049 1HB GLU2049 -4.829 6.770 9.600 297 HB3 GLU2049 2HB GLU2049 -4.286 5.833 11.003 298 HG2 GLU2049 1HG GLU2049 -2.640 7.432 11.574 299 HG3 GLU2049 2HG GLU2049 -2.652 8.170 9.963 300 HE2 GLU2049 HE GLU2049 -4.493 10.408 12.066 301 H VAL2050 H VAL2050 -3.889 4.914 6.959 302 HA VAL2050 HA VAL2050 -5.121 2.509 7.977 303 HB VAL2050 HB VAL2050 -5.039 3.940 5.332 304 HG11 VAL2050 1HG1 VAL2050 -6.448 2.215 4.356 305 HG12 VAL2050 2HG1 VAL2050 -4.906 1.503 4.894 306 HG13 VAL2050 3HG1 VAL2050 -6.382 1.270 5.862 307 HG21 VAL2050 3HG2 VAL2050 -7.624 3.176 6.486 308 HG22 VAL2050 1HG2 VAL2050 -6.657 4.217 7.558 309 HG23 VAL2050 2HG2 VAL2050 -7.048 4.758 5.908 310 H LEU2051 H LEU2051 -2.424 3.494 5.786 311 HA LEU2051 HA LEU2051 -1.705 0.774 5.281 312 HB2 LEU2051 1HB LEU2051 -0.295 3.377 4.720 313 HB3 LEU2051 2HB LEU2051 0.218 1.789 4.125 314 HG LEU2051 HG LEU2051 -1.236 1.840 2.427 315 HD11 LEU2051 1HD1 LEU2051 -3.374 3.187 4.091 316 HD12 LEU2051 2HD1 LEU2051 -3.569 2.272 2.577 317 HD13 LEU2051 3HD1 LEU2051 -3.099 1.429 4.072 318 HD21 LEU2051 3HD2 LEU2051 -0.860 4.633 3.285 319 HD22 LEU2051 1HD2 LEU2051 -0.599 3.863 1.700 320 HD23 LEU2051 2HD2 LEU2051 -2.236 4.366 2.186 321 H GLU2052 H GLU2052 -0.509 3.475 7.356 322 HA GLU2052 HA GLU2052 1.766 2.573 8.286 323 HB2 GLU2052 1HB GLU2052 -0.417 4.159 9.354 324 HB3 GLU2052 2HB GLU2052 0.383 3.272 10.662 325 HG2 GLU2052 1HG GLU2052 2.509 4.242 10.139 326 HG3 GLU2052 2HG GLU2052 1.945 4.845 8.574 327 HE2 GLU2052 HE GLU2052 0.767 7.760 9.914 328 HA PRO2053 HA PRO2053 -0.299 -0.594 11.142 329 HB2 PRO2053 1HB PRO2053 -2.986 -1.049 10.972 330 HB3 PRO2053 2HB PRO2053 -2.268 0.043 12.155 331 HG2 PRO2053 1HG PRO2053 -3.710 0.641 9.653 332 HG3 PRO2053 2HG PRO2053 -3.413 1.721 11.063 333 HD2 PRO2053 1HD PRO2053 -2.123 1.737 8.506 334 HD3 PRO2053 2HD PRO2053 -1.686 2.713 9.914 335 H LEU2054 H LEU2054 -2.225 -0.573 8.181 336 HA LEU2054 HA LEU2054 -2.347 -3.264 7.789 337 HB2 LEU2054 1HB LEU2054 -2.329 -0.871 6.035 338 HB3 LEU2054 2HB LEU2054 -2.167 -2.457 5.264 339 HG LEU2054 HG LEU2054 -4.330 -2.968 5.591 340 HD11 LEU2054 1HD1 LEU2054 -5.604 -2.136 7.694 341 HD12 LEU2054 2HD1 LEU2054 -4.379 -3.416 7.864 342 HD13 LEU2054 3HD1 LEU2054 -3.983 -1.739 8.312 343 HD21 LEU2054 3HD2 LEU2054 -5.531 -1.230 4.874 344 HD22 LEU2054 1HD2 LEU2054 -5.224 -0.292 6.354 345 HD23 LEU2054 2HD2 LEU2054 -4.034 -0.282 5.030 346 H HIS2055 H HIS2055 0.261 -1.022 6.613 347 HA HIS2055 HA HIS2055 1.828 -3.056 5.546 348 HB2 HIS2055 1HB HIS2055 2.442 -0.267 6.516 349 HB3 HIS2055 2HB HIS2055 3.677 -1.306 5.796 350 HD1 HIS2055 1HD HIS2055 2.640 1.424 4.538 351 HD2 HIS2055 2HD HIS2055 1.388 -2.423 3.428 352 HE1 HIS2055 1HE HIS2055 1.747 1.623 2.157 353 HE2 HIS2055 2HE HIS2055 0.985 -0.773 1.520 354 H ALA2056 H ALA2056 1.968 -1.383 8.764 355 HA ALA2056 HA ALA2056 4.137 -2.723 9.787 356 HB1 ALA2056 3HB ALA2056 2.864 -2.285 12.020 357 HB2 ALA2056 1HB ALA2056 3.314 -0.891 11.009 358 HB3 ALA2056 2HB ALA2056 1.644 -1.502 10.986 359 H MET2057 H MET2057 0.624 -3.630 9.952 360 HA MET2057 HA MET2057 0.891 -5.885 11.426 361 HB2 MET2057 1HB MET2057 -1.342 -5.876 10.971 362 HB3 MET2057 2HB MET2057 -1.072 -4.628 9.741 363 HG2 MET2057 1HG MET2057 -0.655 -6.364 8.043 364 HG3 MET2057 2HG MET2057 -0.802 -7.635 9.260 365 HE1 MET2057 3HE MET2057 -3.912 -7.544 6.743 366 HE2 MET2057 1HE MET2057 -2.901 -6.120 6.401 367 HE3 MET2057 2HE MET2057 -2.140 -7.697 6.720 368 H MET2058 H MET2058 1.527 -5.402 7.930 369 HA MET2058 HA MET2058 1.744 -8.126 7.334 370 HB2 MET2058 1HB MET2058 2.974 -5.650 6.017 371 HB3 MET2058 2HB MET2058 2.882 -7.243 5.248 372 HG2 MET2058 1HG MET2058 0.272 -6.389 6.273 373 HG3 MET2058 2HG MET2058 0.936 -5.194 5.155 374 HE1 MET2058 3HE MET2058 -1.601 -6.873 5.018 375 HE2 MET2058 1HE MET2058 -1.675 -8.024 3.663 376 HE3 MET2058 2HE MET2058 -1.096 -8.563 5.258 377 H GLU2059 H GLU2059 3.995 -5.688 8.629 378 HA GLU2059 HA GLU2059 6.284 -7.289 8.134 379 HB2 GLU2059 1HB GLU2059 6.166 -5.043 10.150 380 HB3 GLU2059 2HB GLU2059 7.519 -5.525 9.109 381 HG2 GLU2059 1HG GLU2059 5.758 -4.896 7.184 382 HG3 GLU2059 2HG GLU2059 5.079 -3.880 8.464 383 HE2 GLU2059 HE GLU2059 7.859 -1.773 8.543 384 H ARG2060 H ARG2060 4.672 -6.162 11.202 385 HA ARG2060 HA ARG2060 6.061 -8.076 12.711 386 HB2 ARG2060 1HB ARG2060 4.594 -7.321 14.568 387 HB3 ARG2060 2HB ARG2060 5.245 -5.934 13.676 388 HG2 ARG2060 1HG ARG2060 3.128 -5.759 12.409 389 HG3 ARG2060 2HG ARG2060 2.476 -7.165 13.271 390 HD2 ARG2060 1HD ARG2060 3.508 -4.803 14.846 391 HD3 ARG2060 2HD ARG2060 1.913 -4.692 14.085 392 HE ARG2060 HE ARG2060 1.119 -6.395 15.550 393 HH11 ARG2060 2HH2 ARG2060 4.589 -5.845 16.006 394 HH12 ARG2060 1HH2 ARG2060 4.658 -6.722 17.499 395 H GLY2061 H GLY2061 3.366 -8.257 10.605 396 HA2 GLY2061 2HA GLY2061 2.437 -10.747 11.912 397 HA3 GLY2061 3HA GLY2061 1.353 -9.610 11.136 398 HA PRO2062 HA PRO2062 3.932 -11.599 7.688 399 HB2 PRO2062 1HB PRO2062 5.745 -13.547 8.303 400 HB3 PRO2062 2HB PRO2062 6.187 -11.856 8.079 401 HG2 PRO2062 1HG PRO2062 5.883 -13.424 10.560 402 HG3 PRO2062 2HG PRO2062 6.780 -11.884 10.307 403 HD2 PRO2062 1HD PRO2062 4.244 -12.281 11.579 404 HD3 PRO2062 2HD PRO2062 5.010 -10.730 11.216 405 H GLN2063 H GLN2063 4.538 -14.223 6.959 406 HA GLN2063 HA GLN2063 2.311 -15.707 8.040 407 HB2 GLN2063 1HB GLN2063 2.188 -14.355 5.521 408 HB3 GLN2063 2HB GLN2063 2.258 -16.094 5.186 409 HG2 GLN2063 1HG GLN2063 0.033 -16.097 5.604 410 HG3 GLN2063 2HG GLN2063 0.462 -15.940 7.314 411 HE21 GLN2063 1HE2 GLN2063 -0.930 -14.499 4.549 412 HE22 GLN2063 2HE2 GLN2063 -1.344 -12.954 5.214 413 H THR2064 H THR2064 4.156 -16.191 4.976 414 HA THR2064 HA THR2064 5.944 -18.069 6.251 415 HB THR2064 HB THR2064 5.135 -20.005 4.980 416 HG1 THR2064 1HG THR2064 3.115 -18.091 4.050 417 HG21 THR2064 3HG2 THR2064 3.804 -19.456 7.084 418 HG22 THR2064 1HG2 THR2064 2.668 -18.547 6.060 419 HG23 THR2064 2HG2 THR2064 2.855 -20.304 5.838 420 H LEU2065 H LEU2065 6.923 -19.366 4.011 421 HA LEU2065 HA LEU2065 8.681 -17.537 3.005 422 HB2 LEU2065 1HB LEU2065 7.991 -20.270 2.616 423 HB3 LEU2065 2HB LEU2065 8.267 -19.529 1.029 424 HG LEU2065 HG LEU2065 10.328 -18.809 2.965 425 HD11 LEU2065 1HD1 LEU2065 11.397 -21.042 3.067 426 HD12 LEU2065 2HD1 LEU2065 9.866 -20.954 3.973 427 HD13 LEU2065 3HD1 LEU2065 9.916 -21.755 2.384 428 HD21 LEU2065 3HD2 LEU2065 10.298 -20.084 0.222 429 HD22 LEU2065 1HD2 LEU2065 10.674 -18.398 0.651 430 HD23 LEU2065 2HD2 LEU2065 11.788 -19.706 1.118 431 H LYS2066 H LYS2066 5.347 -18.226 2.011 432 HA LYS2066 HA LYS2066 5.478 -17.043 -0.523 433 HB2 LYS2066 1HB LYS2066 3.527 -18.229 1.193 434 HB3 LYS2066 2HB LYS2066 2.876 -16.700 0.578 435 HG2 LYS2066 1HG LYS2066 3.965 -17.665 -1.704 436 HG3 LYS2066 2HG LYS2066 3.631 -19.204 -0.893 437 HD2 LYS2066 1HD LYS2066 1.263 -18.387 -0.518 438 HD3 LYS2066 2HD LYS2066 1.639 -16.981 -1.528 439 HE2 LYS2066 1HE LYS2066 1.116 -18.218 -3.339 440 HE3 LYS2066 2HE LYS2066 2.501 -19.265 -2.996 441 HZ1 LYS2066 2HZ LYS2066 -0.017 -19.697 -1.541 442 HZ3 LYS2066 1HZ LYS2066 1.135 -20.783 -1.921 443 H GLU2067 H GLU2067 4.459 -15.713 2.699 444 HA GLU2067 HA GLU2067 3.954 -13.174 1.770 445 HB2 GLU2067 1HB GLU2067 3.129 -13.595 3.898 446 HB3 GLU2067 2HB GLU2067 4.624 -14.367 4.455 447 HG2 GLU2067 1HG GLU2067 4.556 -11.426 3.732 448 HG3 GLU2067 2HG GLU2067 4.029 -11.967 5.331 449 HE2 GLU2067 HE GLU2067 7.708 -11.265 5.035 450 H THR2068 H THR2068 6.996 -14.790 2.710 451 HA THR2068 HA THR2068 8.618 -12.561 3.021 452 HB THR2068 HB THR2068 8.928 -15.477 2.339 453 HG1 THR2068 1HG THR2068 8.897 -14.691 4.535 454 HG21 THR2068 3HG2 THR2068 11.284 -13.526 2.354 455 HG22 THR2068 1HG2 THR2068 11.337 -15.284 2.071 456 HG23 THR2068 2HG2 THR2068 10.609 -14.209 0.853 457 H SER2069 H SER2069 7.526 -14.235 0.042 458 HA SER2069 HA SER2069 9.242 -12.699 -1.590 459 HB2 SER2069 1HB SER2069 7.394 -14.893 -1.878 460 HB3 SER2069 2HB SER2069 7.031 -13.679 -3.118 461 HG SER2069 HG SER2069 8.718 -15.408 -3.590 462 H PHE2070 H PHE2070 5.822 -12.510 -0.496 463 HA PHE2070 HA PHE2070 5.037 -10.466 -2.237 464 HB2 PHE2070 1HB PHE2070 3.919 -12.140 -0.347 465 HB3 PHE2070 2HB PHE2070 3.955 -10.634 0.575 466 HD1 PHE2070 2HD PHE2070 2.746 -12.129 -2.603 467 HD2 PHE2070 1HD PHE2070 2.296 -9.017 0.246 468 HE1 PHE2070 2HE PHE2070 0.624 -11.404 -3.730 469 HE2 PHE2070 1HE PHE2070 0.174 -8.290 -0.881 470 HZ PHE2070 HZ PHE2070 -0.636 -9.493 -2.856 471 H ASN2071 H ASN2071 6.117 -10.376 1.235 472 HA ASN2071 HA ASN2071 5.933 -7.653 1.500 473 HB2 ASN2071 1HB ASN2071 6.454 -9.588 3.229 474 HB3 ASN2071 2HB ASN2071 8.148 -9.237 2.855 475 HD21 ASN2071 1HD2 ASN2071 8.876 -8.235 4.591 476 HD22 ASN2071 2HD2 ASN2071 8.211 -6.808 5.313 477 H GLN2072 H GLN2072 8.378 -9.770 0.010 478 HA GLN2072 HA GLN2072 10.387 -7.758 -0.041 479 HB2 GLN2072 1HB GLN2072 10.081 -10.570 -1.027 480 HB3 GLN2072 2HB GLN2072 11.322 -9.569 -1.803 481 HG2 GLN2072 1HG GLN2072 12.053 -8.986 0.629 482 HG3 GLN2072 2HG GLN2072 11.081 -10.385 1.114 483 HE21 GLN2072 1HE2 GLN2072 13.393 -10.854 1.852 484 HE22 GLN2072 2HE2 GLN2072 14.377 -11.802 0.786 485 H ALA2073 H ALA2073 8.198 -9.333 -2.473 486 HA ALA2073 HA ALA2073 8.980 -8.113 -4.743 487 HB1 ALA2073 3HB ALA2073 7.008 -9.754 -4.163 488 HB2 ALA2073 1HB ALA2073 6.043 -8.262 -4.069 489 HB3 ALA2073 2HB ALA2073 6.877 -8.687 -5.582 490 H TYR2074 H TYR2074 6.706 -6.735 -2.270 491 HA TYR2074 HA TYR2074 6.903 -4.160 -3.623 492 HB2 TYR2074 1HB TYR2074 5.356 -5.144 -1.155 493 HB3 TYR2074 2HB TYR2074 5.017 -3.656 -2.044 494 HD1 TYR2074 1HD TYR2074 4.916 -4.412 -4.813 495 HD2 TYR2074 2HD TYR2074 3.605 -6.629 -1.395 496 HE1 TYR2074 1HE TYR2074 3.256 -5.680 -6.261 497 HE2 TYR2074 2HE TYR2074 1.951 -7.891 -2.856 498 HH TYR2074 HH TYR2074 0.992 -6.873 -5.783 499 H GLY2075 H GLY2075 8.392 -5.935 -1.072 500 HA2 GLY2075 2HA GLY2075 8.809 -4.276 1.003 501 HA3 GLY2075 3HA GLY2075 10.059 -5.298 0.323 502 H ARG2076 H ARG2076 10.436 -4.075 -2.230 503 HA ARG2076 HA ARG2076 12.011 -1.889 -1.392 504 HB2 ARG2076 1HB ARG2076 12.769 -3.444 -3.154 505 HB3 ARG2076 2HB ARG2076 11.403 -2.984 -4.186 506 HG2 ARG2076 1HG ARG2076 13.060 -0.722 -3.207 507 HG3 ARG2076 2HG ARG2076 13.910 -1.838 -4.288 508 HD2 ARG2076 1HD ARG2076 11.228 -1.244 -5.281 509 HD3 ARG2076 2HD ARG2076 12.139 0.251 -5.024 510 HE ARG2076 HE ARG2076 12.578 -1.685 -7.110 511 HH11 ARG2076 2HH2 ARG2076 14.368 0.455 -4.926 512 HH12 ARG2076 1HH2 ARG2076 15.729 0.604 -5.988 513 H ASP2077 H ASP2077 9.074 -2.364 -3.458 514 HA ASP2077 HA ASP2077 8.816 0.210 -4.334 515 HB2 ASP2077 1HB ASP2077 6.751 -1.910 -3.640 516 HB3 ASP2077 2HB ASP2077 6.302 -0.382 -4.412 517 HD2 ASP2077 HD ASP2077 8.485 -2.990 -6.552 518 H LEU2078 H LEU2078 7.128 -1.432 -1.540 519 HA LEU2078 HA LEU2078 5.851 0.780 -0.533 520 HB2 LEU2078 1HB LEU2078 6.913 -1.717 0.754 521 HB3 LEU2078 2HB LEU2078 5.981 -0.508 1.657 522 HG LEU2078 HG LEU2078 5.107 -2.401 -0.497 523 HD11 LEU2078 1HD1 LEU2078 4.723 -2.132 2.308 524 HD12 LEU2078 2HD1 LEU2078 3.150 -1.888 1.513 525 HD13 LEU2078 3HD1 LEU2078 4.082 -3.374 1.208 526 HD21 LEU2078 3HD2 LEU2078 3.878 0.294 0.080 527 HD22 LEU2078 1HD2 LEU2078 4.337 -0.413 -1.486 528 HD23 LEU2078 2HD2 LEU2078 2.939 -1.061 -0.596 529 H MET2079 H MET2079 9.231 -0.339 -0.079 530 HA MET2079 HA MET2079 9.891 1.345 1.986 531 HB2 MET2079 1HB MET2079 11.230 -0.266 -0.094 532 HB3 MET2079 2HB MET2079 12.191 1.158 0.347 533 HG2 MET2079 1HG MET2079 11.076 -0.921 2.287 534 HG3 MET2079 2HG MET2079 12.759 -0.818 1.760 535 HE1 MET2079 3HE MET2079 13.883 1.698 1.768 536 HE2 MET2079 1HE MET2079 14.131 2.300 3.425 537 HE3 MET2079 2HE MET2079 14.519 0.609 3.024 538 H GLU2080 H GLU2080 10.025 1.883 -1.593 539 HA GLU2080 HA GLU2080 11.185 4.406 -1.393 540 HB2 GLU2080 1HB GLU2080 11.231 3.096 -3.452 541 HB3 GLU2080 2HB GLU2080 9.466 3.174 -3.591 542 HG2 GLU2080 1HG GLU2080 9.493 5.470 -4.124 543 HG3 GLU2080 2HG GLU2080 11.105 5.720 -3.436 544 HE2 GLU2080 HE GLU2080 12.719 4.830 -6.341 545 H ALA2081 H ALA2081 7.741 3.432 -2.068 546 HA ALA2081 HA ALA2081 6.660 5.960 -2.055 547 HB1 ALA2081 3HB ALA2081 5.756 3.391 -2.367 548 HB2 ALA2081 1HB ALA2081 5.023 3.827 -0.804 549 HB3 ALA2081 2HB ALA2081 4.703 4.821 -2.246 550 H GLN2082 H GLN2082 7.402 3.734 0.684 551 HA GLN2082 HA GLN2082 6.136 5.191 2.640 552 HB2 GLN2082 1HB GLN2082 6.937 2.943 3.038 553 HB3 GLN2082 2HB GLN2082 8.620 3.429 2.765 554 HG2 GLN2082 1HG GLN2082 8.785 3.838 4.975 555 HG3 GLN2082 2HG GLN2082 7.634 5.170 4.779 556 HE21 GLN2082 1HE2 GLN2082 7.875 1.655 5.192 557 HE22 GLN2082 2HE2 GLN2082 6.442 1.439 6.141 558 H GLU2083 H GLU2083 9.440 5.494 1.235 559 HA GLU2083 HA GLU2083 10.343 7.370 3.076 560 HB2 GLU2083 1HB GLU2083 12.236 6.970 1.949 561 HB3 GLU2083 2HB GLU2083 11.325 6.048 0.742 562 HG2 GLU2083 1HG GLU2083 10.880 8.121 -0.519 563 HG3 GLU2083 2HG GLU2083 11.729 9.077 0.706 564 HE2 GLU2083 HE GLU2083 14.847 8.253 -0.494 565 H TRP2084 H TRP2084 8.493 7.627 0.019 566 HA TRP2084 HA TRP2084 8.762 10.405 -0.289 567 HB2 TRP2084 1HB TRP2084 6.792 8.367 -1.287 568 HB3 TRP2084 2HB TRP2084 6.616 10.084 -1.657 569 HD1 TRP2084 HD TRP2084 8.609 7.015 -2.681 570 HE1 TRP2084 1HE TRP2084 10.229 7.517 -4.703 571 HE3 TRP2084 3HE TRP2084 8.030 12.066 -2.575 572 HZ2 TRP2084 2HZ TRP2084 11.068 9.916 -6.002 573 HZ3 TRP2084 3HZ TRP2084 9.286 13.415 -4.255 574 HH2 TRP2084 HH TRP2084 10.764 12.418 -5.927 575 H CYS2085 H CYS2085 6.605 8.264 1.605 576 HA CYS2085 HA CYS2085 4.698 10.188 2.253 577 HB2 CYS2085 1HB CYS2085 4.020 8.021 2.655 578 HB3 CYS2085 2HB CYS2085 5.535 7.562 3.455 579 HG CYS2085 HG CYS2085 3.584 7.555 5.203 580 H ARG2086 H ARG2086 7.562 8.913 4.113 581 HA ARG2086 HA ARG2086 7.349 10.606 6.225 582 HB2 ARG2086 1HB ARG2086 9.538 9.038 4.934 583 HB3 ARG2086 2HB ARG2086 10.073 10.310 6.047 584 HG2 ARG2086 1HG ARG2086 9.808 8.601 7.564 585 HG3 ARG2086 2HG ARG2086 8.145 9.211 7.585 586 HD2 ARG2086 1HD ARG2086 7.754 7.516 5.627 587 HD3 ARG2086 2HD ARG2086 9.264 6.766 6.167 588 HE ARG2086 HE ARG2086 6.678 6.657 7.498 589 HH11 ARG2086 2HH2 ARG2086 10.172 6.581 8.084 590 HH12 ARG2086 1HH2 ARG2086 10.030 5.709 9.572 591 H LYS2087 H LYS2087 8.682 11.147 2.960 592 HA LYS2087 HA LYS2087 10.025 13.562 3.611 593 HB2 LYS2087 1HB LYS2087 10.833 12.383 1.756 594 HB3 LYS2087 2HB LYS2087 9.224 12.200 1.037 595 HG2 LYS2087 1HG LYS2087 9.727 15.004 1.421 596 HG3 LYS2087 2HG LYS2087 11.150 14.305 0.630 597 HD2 LYS2087 1HD LYS2087 8.814 13.181 -0.596 598 HD3 LYS2087 2HD LYS2087 8.572 14.935 -0.507 599 HE2 LYS2087 1HE LYS2087 11.295 14.361 -1.318 600 HE3 LYS2087 2HE LYS2087 10.177 13.474 -2.367 601 HZ1 LYS2087 2HZ LYS2087 9.303 15.435 -3.159 602 HZ3 LYS2087 1HZ LYS2087 10.798 15.986 -2.824 603 H TYR2088 H TYR2088 6.717 12.642 2.684 604 HA TYR2088 HA TYR2088 5.939 15.340 2.108 605 HB2 TYR2088 1HB TYR2088 4.822 13.446 1.032 606 HB3 TYR2088 2HB TYR2088 4.618 12.606 2.573 607 HD1 TYR2088 1HD TYR2088 3.443 15.494 0.541 608 HD2 TYR2088 2HD TYR2088 2.679 12.965 3.909 609 HE1 TYR2088 1HE TYR2088 1.105 16.469 0.753 610 HE2 TYR2088 2HE TYR2088 0.344 13.950 4.109 611 HH TYR2088 HH TYR2088 -0.763 16.443 1.825 612 H MET2089 H MET2089 5.576 13.007 4.845 613 HA MET2089 HA MET2089 3.907 14.663 6.334 614 HB2 MET2089 1HB MET2089 5.872 12.445 7.099 615 HB3 MET2089 2HB MET2089 4.718 13.142 8.248 616 HG2 MET2089 1HG MET2089 3.009 12.541 6.232 617 HG3 MET2089 2HG MET2089 4.240 11.319 5.909 618 HE1 MET2089 3HE MET2089 1.270 11.742 6.817 619 HE2 MET2089 1HE MET2089 1.034 10.104 7.475 620 HE3 MET2089 2HE MET2089 0.920 11.521 8.548 621 H LYS2090 H LYS2090 7.466 14.396 6.050 622 HA LYS2090 HA LYS2090 8.030 15.993 8.314 623 HB2 LYS2090 1HB LYS2090 9.496 14.302 6.983 624 HB3 LYS2090 2HB LYS2090 9.895 15.704 5.976 625 HG2 LYS2090 1HG LYS2090 10.090 15.764 9.006 626 HG3 LYS2090 2HG LYS2090 11.440 15.218 7.997 627 HD2 LYS2090 1HD LYS2090 11.975 17.339 7.408 628 HD3 LYS2090 2HD LYS2090 10.289 17.770 7.069 629 HE2 LYS2090 1HE LYS2090 10.195 18.917 9.005 630 HE3 LYS2090 2HE LYS2090 10.586 17.453 9.921 631 HZ1 LYS2090 2HZ LYS2090 12.178 19.592 9.829 632 HZ3 LYS2090 1HZ LYS2090 12.822 18.755 8.591 633 H SER2091 H SER2091 8.153 16.698 4.747 634 HA SER2091 HA SER2091 6.814 19.071 4.944 635 HB2 SER2091 1HB SER2091 9.216 19.439 6.181 636 HB3 SER2091 2HB SER2091 9.653 19.885 4.523 637 HG SER2091 HG SER2091 7.360 21.116 4.915 638 H GLY2092 H GLY2092 6.272 17.455 3.084 639 HA2 GLY2092 2HA GLY2092 8.040 17.900 0.763 640 HA3 GLY2092 3HA GLY2092 6.923 16.566 0.970 641 H ASN2093 H ASN2093 5.804 16.998 -1.009 642 HA ASN2093 HA ASN2093 3.951 19.196 -0.721 643 HB2 ASN2093 1HB ASN2093 6.125 19.158 -2.608 644 HB3 ASN2093 2HB ASN2093 4.628 18.948 -3.530 645 HD21 ASN2093 1HD2 ASN2093 2.904 20.480 -3.177 646 HD22 ASN2093 2HD2 ASN2093 3.260 22.126 -2.775 647 H VAL2094 H VAL2094 2.054 18.881 -2.335 648 HA VAL2094 HA VAL2094 0.975 16.386 -2.155 649 HB VAL2094 HB VAL2094 0.131 18.786 -2.968 650 HG11 VAL2094 1HG1 VAL2094 -0.559 18.670 -5.346 651 HG12 VAL2094 2HG1 VAL2094 1.210 18.720 -5.145 652 HG13 VAL2094 3HG1 VAL2094 0.400 17.182 -5.532 653 HG21 VAL2094 3HG2 VAL2094 -1.326 16.336 -3.961 654 HG22 VAL2094 1HG2 VAL2094 -1.137 16.663 -2.222 655 HG23 VAL2094 2HG2 VAL2094 -1.991 17.830 -3.260 656 H LYS2095 H LYS2095 3.013 17.768 -4.792 657 HA LYS2095 HA LYS2095 2.764 15.778 -6.642 658 HB2 LYS2095 1HB LYS2095 4.108 18.038 -6.568 659 HB3 LYS2095 2HB LYS2095 5.461 16.980 -6.133 660 HG2 LYS2095 1HG LYS2095 5.161 15.673 -8.157 661 HG3 LYS2095 2HG LYS2095 3.659 16.526 -8.553 662 HD2 LYS2095 1HD LYS2095 5.136 17.684 -9.900 663 HD3 LYS2095 2HD LYS2095 5.276 18.663 -8.431 664 HE2 LYS2095 1HE LYS2095 7.132 16.632 -8.011 665 HE3 LYS2095 2HE LYS2095 7.269 16.921 -9.751 666 HZ1 LYS2095 2HZ LYS2095 7.238 19.420 -8.803 667 HZ3 LYS2095 1HZ LYS2095 8.619 18.587 -9.025 668 H ASP2096 H ASP2096 4.923 15.893 -3.744 669 HA ASP2096 HA ASP2096 6.176 13.481 -4.308 670 HB2 ASP2096 1HB ASP2096 7.337 14.600 -2.679 671 HB3 ASP2096 2HB ASP2096 5.879 15.320 -1.981 672 HD2 ASP2096 HD ASP2096 6.710 13.282 0.675 673 H LEU2097 H LEU2097 3.270 14.422 -2.365 674 HA LEU2097 HA LEU2097 2.781 11.923 -1.226 675 HB2 LEU2097 1HB LEU2097 1.766 13.788 -0.282 676 HB3 LEU2097 2HB LEU2097 1.079 14.329 -1.824 677 HG LEU2097 HG LEU2097 -0.572 12.608 -1.776 678 HD11 LEU2097 1HD1 LEU2097 -0.304 11.279 0.680 679 HD12 LEU2097 2HD1 LEU2097 -0.073 10.608 -0.954 680 HD13 LEU2097 3HD1 LEU2097 1.316 11.262 -0.053 681 HD21 LEU2097 3HD2 LEU2097 -1.781 13.912 -0.454 682 HD22 LEU2097 1HD2 LEU2097 -1.103 13.083 0.969 683 HD23 LEU2097 2HD2 LEU2097 -0.306 14.536 0.322 684 H THR2098 H THR2098 1.707 13.416 -4.333 685 HA THR2098 HA THR2098 -0.001 11.337 -5.094 686 HB THR2098 HB THR2098 1.661 13.295 -6.767 687 HG1 THR2098 1HG THR2098 -1.095 13.331 -5.772 688 HG21 THR2098 3HG2 THR2098 -0.128 13.066 -8.427 689 HG22 THR2098 1HG2 THR2098 0.491 11.435 -8.075 690 HG23 THR2098 2HG2 THR2098 -1.042 11.981 -7.352 691 H GLN2099 H GLN2099 3.533 11.820 -5.609 692 HA GLN2099 HA GLN2099 3.891 9.706 -7.313 693 HB2 GLN2099 1HB GLN2099 5.503 11.533 -5.830 694 HB3 GLN2099 2HB GLN2099 6.163 9.913 -5.542 695 HG2 GLN2099 1HG GLN2099 7.158 10.040 -7.558 696 HG3 GLN2099 2HG GLN2099 5.558 10.014 -8.314 697 HE21 GLN2099 1HE2 GLN2099 6.546 11.286 -9.975 698 HE22 GLN2099 2HE2 GLN2099 6.716 13.000 -9.801 699 H ALA2100 H ALA2100 3.978 9.809 -3.694 700 HA ALA2100 HA ALA2100 4.686 7.134 -3.334 701 HB1 ALA2100 3HB ALA2100 4.373 9.315 -1.742 702 HB2 ALA2100 1HB ALA2100 2.883 8.424 -1.346 703 HB3 ALA2100 2HB ALA2100 4.469 7.651 -1.119 704 H TRP2101 H TRP2101 1.536 8.777 -3.854 705 HA TRP2101 HA TRP2101 -0.070 6.564 -3.229 706 HB2 TRP2101 1HB TRP2101 -0.389 9.236 -4.159 707 HB3 TRP2101 2HB TRP2101 -1.322 8.169 -5.212 708 HD1 TRP2101 HD TRP2101 -1.645 9.969 -2.003 709 HE1 TRP2101 1HE TRP2101 -3.705 9.184 -0.551 710 HE3 TRP2101 3HE TRP2101 -2.547 5.712 -4.634 711 HZ2 TRP2101 2HZ TRP2101 -5.442 6.922 -0.664 712 HZ3 TRP2101 3HZ TRP2101 -4.443 4.271 -3.897 713 HH2 TRP2101 HH TRP2101 -5.867 4.817 -1.988 714 H ASP2102 H ASP2102 1.801 7.583 -6.089 715 HA ASP2102 HA ASP2102 0.528 5.905 -7.907 716 HB2 ASP2102 1HB ASP2102 2.447 7.855 -8.032 717 HB3 ASP2102 2HB ASP2102 3.453 6.417 -8.259 718 HD2 ASP2102 HD ASP2102 1.160 7.777 -11.179 719 H LEU2103 H LEU2103 3.522 5.618 -5.867 720 HA LEU2103 HA LEU2103 4.386 3.161 -6.774 721 HB2 LEU2103 1HB LEU2103 4.694 4.742 -4.272 722 HB3 LEU2103 2HB LEU2103 5.264 3.065 -4.291 723 HG LEU2103 HG LEU2103 6.531 3.809 -6.452 724 HD11 LEU2103 1HD1 LEU2103 7.158 6.131 -6.559 725 HD12 LEU2103 2HD1 LEU2103 5.383 6.007 -6.601 726 HD13 LEU2103 3HD1 LEU2103 6.205 6.501 -5.102 727 HD21 LEU2103 3HD2 LEU2103 8.473 4.150 -5.198 728 HD22 LEU2103 1HD2 LEU2103 7.592 4.940 -3.868 729 HD23 LEU2103 2HD2 LEU2103 7.427 3.186 -4.127 730 H TYR2104 H TYR2104 2.176 3.923 -3.997 731 HA TYR2104 HA TYR2104 1.706 1.329 -3.202 732 HB2 TYR2104 1HB TYR2104 0.052 3.907 -3.367 733 HB3 TYR2104 2HB TYR2104 -0.572 2.484 -2.526 734 HD1 TYR2104 1HD TYR2104 1.945 1.529 -1.201 735 HD2 TYR2104 2HD TYR2104 0.328 5.466 -1.638 736 HE1 TYR2104 1HE TYR2104 3.158 2.269 0.908 737 HE2 TYR2104 2HE TYR2104 1.546 6.192 0.473 738 HH TYR2104 HH TYR2104 3.930 5.051 1.659 739 H TYR2105 H TYR2105 -0.255 3.342 -5.513 740 HA TYR2105 HA TYR2105 -2.168 1.507 -6.134 741 HB2 TYR2105 1HB TYR2105 -1.410 4.007 -6.915 742 HB3 TYR2105 2HB TYR2105 -0.765 3.121 -8.302 743 HD1 TYR2105 2HD TYR2105 -3.051 0.983 -8.255 744 HD2 TYR2105 1HD TYR2105 -3.026 5.261 -8.188 745 HE1 TYR2105 2HE TYR2105 -5.355 1.020 -9.328 746 HE2 TYR2105 1HE TYR2105 -5.331 5.284 -9.260 747 HH TYR2105 HH TYR2105 -6.573 3.138 -10.903 748 H HIS2106 H HIS2106 1.210 1.696 -7.342 749 HA HIS2106 HA HIS2106 0.886 -0.161 -9.401 750 HB2 HIS2106 1HB HIS2106 2.995 1.346 -8.167 751 HB3 HIS2106 2HB HIS2106 3.537 -0.319 -8.412 752 HD1 HIS2106 1HD HIS2106 3.217 -1.229 -10.989 753 HD2 HIS2106 2HD HIS2106 3.111 2.922 -10.394 754 HE1 HIS2106 1HE HIS2106 3.616 -0.169 -13.275 755 HE2 HIS2106 2HE HIS2106 3.543 2.389 -12.856 756 H VAL2107 H VAL2107 2.035 -0.525 -5.979 757 HA VAL2107 HA VAL2107 2.339 -3.323 -6.193 758 HB VAL2107 HB VAL2107 3.059 -3.208 -4.050 759 HG11 VAL2107 1HG1 VAL2107 4.408 -1.361 -3.828 760 HG12 VAL2107 2HG1 VAL2107 3.944 -1.203 -5.540 761 HG13 VAL2107 3HG1 VAL2107 3.123 -0.223 -4.301 762 HG21 VAL2107 3HG2 VAL2107 2.106 -1.861 -2.266 763 HG22 VAL2107 1HG2 VAL2107 1.068 -1.001 -3.427 764 HG23 VAL2107 2HG2 VAL2107 0.810 -2.734 -3.116 765 H PHE2108 H PHE2108 -0.261 -1.174 -4.870 766 HA PHE2108 HA PHE2108 -1.915 -3.242 -4.014 767 HB2 PHE2108 1HB PHE2108 -2.091 -0.331 -4.813 768 HB3 PHE2108 2HB PHE2108 -3.626 -1.193 -4.661 769 HD1 PHE2108 1HD PHE2108 -0.628 -0.042 -2.857 770 HD2 PHE2108 2HD PHE2108 -4.478 -1.794 -2.509 771 HE1 PHE2108 1HE PHE2108 -0.577 0.338 -0.377 772 HE2 PHE2108 2HE PHE2108 -4.427 -1.412 -0.028 773 HZ PHE2108 HZ PHE2108 -2.476 -0.351 1.008 774 H ARG2109 H ARG2109 -1.341 -1.819 -7.223 775 HA ARG2109 HA ARG2109 -3.718 -2.887 -8.315 776 HB2 ARG2109 1HB ARG2109 -2.748 -0.928 -9.347 777 HB3 ARG2109 2HB ARG2109 -1.180 -1.724 -9.556 778 HG2 ARG2109 1HG ARG2109 -1.830 -2.492 -11.567 779 HG3 ARG2109 2HG ARG2109 -3.200 -3.342 -10.831 780 HD2 ARG2109 1HD ARG2109 -4.557 -1.278 -10.976 781 HD3 ARG2109 2HD ARG2109 -3.185 -0.398 -11.665 782 HE ARG2109 HE ARG2109 -3.720 -2.756 -13.224 783 HH11 ARG2109 2HH2 ARG2109 -5.056 0.461 -12.572 784 HH12 ARG2109 1HH2 ARG2109 -5.837 0.586 -14.113 785 H ARG2110 H ARG2110 -0.321 -3.908 -7.924 786 HA ARG2110 HA ARG2110 -0.372 -5.934 -9.822 787 HB2 ARG2110 1HB ARG2110 1.319 -5.231 -7.436 788 HB3 ARG2110 2HB ARG2110 1.517 -6.852 -8.124 789 HG2 ARG2110 1HG ARG2110 1.550 -4.400 -9.898 790 HG3 ARG2110 2HG ARG2110 3.012 -4.878 -9.018 791 HD2 ARG2110 1HD ARG2110 1.566 -7.019 -10.540 792 HD3 ARG2110 2HD ARG2110 2.414 -5.800 -11.504 793 HE ARG2110 HE ARG2110 4.186 -6.644 -9.456 794 HH11 ARG2110 2HH2 ARG2110 2.586 -8.051 -12.288 795 HH12 ARG2110 1HH2 ARG2110 3.832 -9.222 -12.564 796 H ILE2111 H ILE2111 -0.820 -5.954 -6.213 797 HA ILE2111 HA ILE2111 -1.153 -8.597 -5.768 798 HB ILE2111 HB ILE2111 -2.807 -7.826 -3.977 799 HG12 ILE2111 1HG1 ILE2111 -1.963 -5.120 -5.035 800 HG13 ILE2111 2HG1 ILE2111 -3.596 -5.803 -5.121 801 HG21 ILE2111 1HG2 ILE2111 -0.355 -6.234 -3.596 802 HG22 ILE2111 2HG2 ILE2111 -1.041 -7.555 -2.620 803 HG23 ILE2111 3HG2 ILE2111 -0.091 -7.927 -4.077 804 HD11 ILE2111 3HD1 ILE2111 -2.064 -4.753 -2.748 805 HD12 ILE2111 1HD1 ILE2111 -3.773 -4.517 -3.188 806 HD13 ILE2111 2HD1 ILE2111 -3.243 -6.061 -2.480 807 H SER2112 H SER2112 -3.485 -6.310 -7.253 808 HA SER2112 HA SER2112 -5.521 -8.293 -7.318 809 HB2 SER2112 1HB SER2112 -6.663 -6.547 -8.808 810 HB3 SER2112 2HB SER2112 -6.285 -6.042 -7.151 811 HG SER2112 HG SER2112 -5.027 -5.306 -9.628 812 H LYS2113 H LYS2113 -3.363 -6.643 -9.728 813 HA LYS2113 HA LYS2113 -4.194 -7.730 -12.036 814 HB2 LYS2113 1HB LYS2113 -1.920 -6.408 -11.100 815 HB3 LYS2113 2HB LYS2113 -1.298 -7.865 -11.894 816 HG2 LYS2113 1HG LYS2113 -1.448 -6.257 -13.625 817 HG3 LYS2113 2HG LYS2113 -2.900 -7.250 -13.846 818 HD2 LYS2113 1HD LYS2113 -3.443 -5.096 -11.982 819 HD3 LYS2113 2HD LYS2113 -2.750 -4.427 -13.470 820 HE2 LYS2113 1HE LYS2113 -4.465 -5.492 -14.815 821 HE3 LYS2113 2HE LYS2113 -5.072 -6.409 -13.426 822 HZ1 LYS2113 2HZ LYS2113 -5.201 -3.812 -12.607 823 HZ3 LYS2113 1HZ LYS2113 -6.463 -4.665 -13.184 824 H GLN2114 H GLN2114 -4.321 -9.704 -13.011 825 HA GLN2114 HA GLN2114 -4.106 -11.966 -11.459 826 HB2 GLN2114 1HB GLN2114 -5.460 -11.620 -13.581 827 HB3 GLN2114 2HB GLN2114 -3.970 -11.890 -14.500 828 HG2 GLN2114 1HG GLN2114 -3.885 -14.058 -12.880 829 HG3 GLN2114 2HG GLN2114 -5.638 -13.823 -12.922 830 HE21 GLN2114 1HE2 GLN2114 -6.670 -14.808 -14.470 831 HE22 GLN2114 2HE2 GLN2114 -6.045 -15.298 -16.011 Start of MODEL 5 1 H MET2014 H MET2014 4.226 -15.656 -8.968 2 HA MET2014 HA MET2014 3.056 -17.484 -10.768 3 HB2 MET2014 1HB MET2014 3.509 -18.225 -7.894 4 HB3 MET2014 2HB MET2014 1.902 -18.598 -8.538 5 HG2 MET2014 1HG MET2014 2.793 -20.469 -9.446 6 HG3 MET2014 2HG MET2014 3.731 -19.445 -10.535 7 HE1 MET2014 3HE MET2014 5.708 -22.431 -8.353 8 HE2 MET2014 1HE MET2014 3.963 -22.308 -8.677 9 HE3 MET2014 2HE MET2014 5.129 -22.131 -10.010 10 H GLU2015 H GLU2015 0.520 -17.745 -9.980 11 HA GLU2015 HA GLU2015 -0.394 -15.093 -9.975 12 HB2 GLU2015 1HB GLU2015 -2.660 -16.172 -9.845 13 HB3 GLU2015 2HB GLU2015 -1.645 -16.797 -11.157 14 HG2 GLU2015 1HG GLU2015 -1.074 -18.373 -8.852 15 HG3 GLU2015 2HG GLU2015 -2.834 -18.217 -8.916 16 HE2 GLU2015 HE GLU2015 -2.939 -19.749 -12.135 17 H LEU2016 H LEU2016 0.553 -17.283 -7.472 18 HA LEU2016 HA LEU2016 0.505 -17.165 -5.269 19 HB2 LEU2016 1HB LEU2016 0.546 -14.491 -6.159 20 HB3 LEU2016 2HB LEU2016 -0.564 -14.555 -4.778 21 HG LEU2016 HG LEU2016 1.905 -16.014 -4.265 22 HD11 LEU2016 1HD1 LEU2016 3.427 -14.116 -4.177 23 HD12 LEU2016 2HD1 LEU2016 2.859 -14.392 -5.841 24 HD13 LEU2016 3HD1 LEU2016 2.179 -13.058 -4.878 25 HD21 LEU2016 3HD2 LEU2016 0.197 -15.270 -2.597 26 HD22 LEU2016 1HD2 LEU2016 1.867 -14.796 -2.206 27 HD23 LEU2016 2HD2 LEU2016 0.735 -13.595 -2.870 28 H ILE2017 H ILE2017 -2.025 -17.580 -7.131 29 HA ILE2017 HA ILE2017 -4.121 -18.209 -6.843 30 HB ILE2017 HB ILE2017 -3.272 -18.444 -3.955 31 HG12 ILE2017 1HG1 ILE2017 -3.487 -20.964 -4.857 32 HG13 ILE2017 2HG1 ILE2017 -2.997 -20.165 -6.362 33 HG21 ILE2017 1HG2 ILE2017 -5.824 -18.268 -4.565 34 HG22 ILE2017 2HG2 ILE2017 -5.593 -19.949 -5.104 35 HG23 ILE2017 3HG2 ILE2017 -5.239 -19.497 -3.418 36 HD11 ILE2017 3HD1 ILE2017 -1.240 -21.044 -4.470 37 HD12 ILE2017 1HD1 ILE2017 -0.898 -19.675 -5.556 38 HD13 ILE2017 2HD1 ILE2017 -1.490 -19.377 -3.903 39 H ARG2018 H ARG2018 -6.127 -17.209 -6.719 40 HA ARG2018 HA ARG2018 -5.992 -14.550 -5.587 41 HB2 ARG2018 1HB ARG2018 -6.656 -14.865 -7.995 42 HB3 ARG2018 2HB ARG2018 -8.089 -15.757 -7.460 43 HG2 ARG2018 1HG ARG2018 -8.955 -13.612 -7.724 44 HG3 ARG2018 2HG ARG2018 -8.529 -13.584 -6.003 45 HD2 ARG2018 1HD ARG2018 -6.642 -12.231 -6.370 46 HD3 ARG2018 2HD ARG2018 -6.491 -12.709 -8.067 47 HE ARG2018 HE ARG2018 -7.938 -10.961 -8.617 48 HH11 ARG2018 2HH2 ARG2018 -8.404 -11.754 -5.196 49 HH12 ARG2018 1HH2 ARG2018 -9.505 -10.448 -4.916 50 H VAL2019 H VAL2019 -6.861 -14.306 -3.551 51 HA VAL2019 HA VAL2019 -9.301 -15.816 -2.960 52 HB VAL2019 HB VAL2019 -7.901 -17.110 -1.737 53 HG11 VAL2019 1HG1 VAL2019 -5.794 -16.298 -0.650 54 HG12 VAL2019 2HG1 VAL2019 -5.809 -16.131 -2.421 55 HG13 VAL2019 3HG1 VAL2019 -6.081 -14.705 -1.391 56 HG21 VAL2019 3HG2 VAL2019 -8.309 -14.725 0.099 57 HG22 VAL2019 1HG2 VAL2019 -9.420 -16.096 -0.137 58 HG23 VAL2019 2HG2 VAL2019 -7.835 -16.357 0.628 59 HA PRO2020 HA PRO2020 -10.582 -11.835 -1.811 60 HB2 PRO2020 1HB PRO2020 -12.997 -12.474 -0.709 61 HB3 PRO2020 2HB PRO2020 -12.750 -12.281 -2.444 62 HG2 PRO2020 1HG PRO2020 -13.032 -14.732 -0.828 63 HG3 PRO2020 2HG PRO2020 -13.265 -14.524 -2.602 64 HD2 PRO2020 1HD PRO2020 -11.061 -15.725 -1.221 65 HD3 PRO2020 2HD PRO2020 -11.169 -15.401 -2.957 66 H ILE2021 H ILE2021 -10.193 -14.397 0.429 67 HA ILE2021 HA ILE2021 -10.106 -12.391 2.573 68 HB ILE2021 HB ILE2021 -10.265 -14.568 3.995 69 HG12 ILE2021 1HG1 ILE2021 -10.102 -15.893 1.732 70 HG13 ILE2021 2HG1 ILE2021 -11.115 -16.477 3.062 71 HG21 ILE2021 1HG2 ILE2021 -11.913 -12.765 3.979 72 HG22 ILE2021 2HG2 ILE2021 -12.648 -13.433 2.503 73 HG23 ILE2021 3HG2 ILE2021 -12.705 -14.357 4.023 74 HD11 ILE2021 3HD1 ILE2021 -12.123 -16.389 0.648 75 HD12 ILE2021 1HD1 ILE2021 -13.112 -15.780 1.998 76 HD13 ILE2021 2HD1 ILE2021 -12.251 -14.637 0.936 77 H LEU2022 H LEU2022 -8.004 -11.653 2.499 78 HA LEU2022 HA LEU2022 -6.017 -13.216 3.613 79 HB2 LEU2022 1HB LEU2022 -6.419 -13.940 0.969 80 HB3 LEU2022 2HB LEU2022 -5.007 -12.868 0.913 81 HG LEU2022 HG LEU2022 -4.237 -15.116 1.104 82 HD11 LEU2022 1HD1 LEU2022 -3.232 -15.041 3.522 83 HD12 LEU2022 2HD1 LEU2022 -2.759 -13.826 2.309 84 HD13 LEU2022 3HD1 LEU2022 -3.959 -13.417 3.558 85 HD21 LEU2022 3HD2 LEU2022 -6.215 -16.228 1.894 86 HD22 LEU2022 1HD2 LEU2022 -4.876 -16.582 3.013 87 HD23 LEU2022 2HD2 LEU2022 -6.120 -15.389 3.461 88 H TRP2023 H TRP2023 -3.751 -11.977 2.238 89 HA TRP2023 HA TRP2023 -3.777 -9.507 3.564 90 HB2 TRP2023 1HB TRP2023 -1.944 -10.959 1.728 91 HB3 TRP2023 2HB TRP2023 -1.689 -9.225 1.944 92 HD1 TRP2023 HD TRP2023 -2.960 -10.855 5.090 93 HE1 TRP2023 1HE TRP2023 -1.066 -11.182 6.898 94 HE3 TRP2023 3HE TRP2023 0.923 -9.803 1.978 95 HZ2 TRP2023 2HZ TRP2023 1.779 -10.968 6.825 96 HZ3 TRP2023 3HZ TRP2023 3.226 -9.884 2.927 97 HH2 TRP2023 HH TRP2023 3.686 -10.443 5.261 98 H HIS2024 H HIS2024 -3.958 -10.425 0.050 99 HA HIS2024 HA HIS2024 -4.104 -7.961 -1.047 100 HB2 HIS2024 1HB HIS2024 -5.938 -10.141 -1.995 101 HB3 HIS2024 2HB HIS2024 -5.003 -8.979 -2.943 102 HD1 HIS2024 1HD HIS2024 -4.810 -12.337 -1.313 103 HD2 HIS2024 2HD HIS2024 -2.234 -9.657 -3.255 104 HE1 HIS2024 1HE HIS2024 -2.686 -13.646 -1.846 105 HE2 HIS2024 2HE HIS2024 -1.130 -11.950 -3.042 106 H GLU2025 H GLU2025 -6.470 -9.565 1.013 107 HA GLU2025 HA GLU2025 -8.652 -7.987 0.211 108 HB2 GLU2025 1HB GLU2025 -8.750 -10.226 1.384 109 HB3 GLU2025 2HB GLU2025 -8.266 -9.407 2.879 110 HG2 GLU2025 1HG GLU2025 -10.584 -8.284 1.331 111 HG3 GLU2025 2HG GLU2025 -10.850 -9.786 2.227 112 HE2 GLU2025 HE GLU2025 -11.481 -6.835 4.340 113 H MET2026 H MET2026 -6.027 -7.663 2.607 114 HA MET2026 HA MET2026 -7.240 -5.546 4.004 115 HB2 MET2026 1HB MET2026 -5.192 -5.493 5.213 116 HB3 MET2026 2HB MET2026 -5.258 -7.173 4.654 117 HG2 MET2026 1HG MET2026 -3.133 -6.708 3.920 118 HG3 MET2026 2HG MET2026 -3.980 -6.015 2.532 119 HE1 MET2026 3HE MET2026 -0.903 -3.895 3.381 120 HE2 MET2026 1HE MET2026 -1.002 -4.788 4.918 121 HE3 MET2026 2HE MET2026 -1.271 -5.637 3.377 122 H TRP2027 H TRP2027 -5.233 -5.807 1.083 123 HA TRP2027 HA TRP2027 -4.464 -3.071 1.035 124 HB2 TRP2027 1HB TRP2027 -4.490 -5.225 -1.077 125 HB3 TRP2027 2HB TRP2027 -3.829 -3.605 -1.320 126 HD1 TRP2027 HD TRP2027 -3.180 -6.724 0.930 127 HE1 TRP2027 1HE TRP2027 -0.636 -6.856 1.623 128 HE3 TRP2027 3HE TRP2027 -1.830 -2.305 -1.191 129 HZ2 TRP2027 2HZ TRP2027 1.604 -5.136 1.215 130 HZ3 TRP2027 3HZ TRP2027 0.555 -1.605 -0.999 131 HH2 TRP2027 HH TRP2027 2.247 -2.940 0.154 132 H HIS2028 H HIS2028 -6.958 -5.100 -0.658 133 HA HIS2028 HA HIS2028 -8.071 -3.104 -2.171 134 HB2 HIS2028 1HB HIS2028 -8.951 -5.056 -2.812 135 HB3 HIS2028 2HB HIS2028 -8.852 -5.765 -1.196 136 HD1 HIS2028 1HD HIS2028 -11.154 -3.899 -3.503 137 HD2 HIS2028 2HD HIS2028 -11.174 -5.410 0.409 138 HE1 HIS2028 1HE HIS2028 -13.580 -3.822 -2.720 139 HE2 HIS2028 2HE HIS2028 -13.539 -4.761 -0.303 140 H GLU2029 H GLU2029 -9.191 -4.270 1.090 141 HA GLU2029 HA GLU2029 -11.033 -2.181 1.335 142 HB2 GLU2029 1HB GLU2029 -11.453 -3.034 3.509 143 HB3 GLU2029 2HB GLU2029 -11.004 -4.453 2.547 144 HG2 GLU2029 1HG GLU2029 -9.730 -4.729 4.495 145 HG3 GLU2029 2HG GLU2029 -8.569 -3.947 3.413 146 HE2 GLU2029 HE GLU2029 -8.070 -1.643 5.890 147 H GLY2030 H GLY2030 -7.600 -2.600 2.228 148 HA2 GLY2030 2HA GLY2030 -7.316 -0.501 4.038 149 HA3 GLY2030 3HA GLY2030 -6.064 -1.156 3.000 150 H LEU2031 H LEU2031 -6.427 -0.490 0.503 151 HA LEU2031 HA LEU2031 -6.039 2.262 0.402 152 HB2 LEU2031 1HB LEU2031 -5.582 0.146 -1.217 153 HB3 LEU2031 2HB LEU2031 -6.927 0.925 -2.069 154 HG LEU2031 HG LEU2031 -5.682 2.935 -2.359 155 HD11 LEU2031 1HD1 LEU2031 -4.503 3.487 -0.500 156 HD12 LEU2031 2HD1 LEU2031 -3.959 1.816 -0.206 157 HD13 LEU2031 3HD1 LEU2031 -3.169 2.802 -1.460 158 HD21 LEU2031 3HD2 LEU2031 -3.349 1.507 -3.087 159 HD22 LEU2031 1HD2 LEU2031 -4.729 0.404 -3.308 160 HD23 LEU2031 2HD2 LEU2031 -4.719 1.989 -4.117 161 H GLU2032 H GLU2032 -8.957 0.240 0.129 162 HA GLU2032 HA GLU2032 -10.615 2.008 -1.111 163 HB2 GLU2032 1HB GLU2032 -10.881 -0.330 0.656 164 HB3 GLU2032 2HB GLU2032 -12.262 0.774 0.766 165 HG2 GLU2032 1HG GLU2032 -11.551 0.508 -2.003 166 HG3 GLU2032 2HG GLU2032 -11.630 -1.120 -1.315 167 HE2 GLU2032 HE GLU2032 -14.927 0.843 -2.079 168 H GLU2033 H GLU2033 -10.008 1.632 2.454 169 HA GLU2033 HA GLU2033 -11.650 3.803 3.112 170 HB2 GLU2033 1HB GLU2033 -10.655 1.772 4.523 171 HB3 GLU2033 2HB GLU2033 -9.396 2.955 4.916 172 HG2 GLU2033 1HG GLU2033 -10.867 4.329 6.075 173 HG3 GLU2033 2HG GLU2033 -12.273 3.821 5.128 174 HE2 GLU2033 HE GLU2033 -12.160 2.337 8.548 175 H ALA2034 H ALA2034 -8.052 3.402 2.851 176 HA ALA2034 HA ALA2034 -7.308 5.933 3.598 177 HB1 ALA2034 3HB ALA2034 -5.612 4.325 3.308 178 HB2 ALA2034 1HB ALA2034 -6.176 3.884 1.679 179 HB3 ALA2034 2HB ALA2034 -5.357 5.442 1.945 180 H SER2035 H SER2035 -8.243 4.716 0.312 181 HA SER2035 HA SER2035 -7.830 7.128 -0.970 182 HB2 SER2035 1HB SER2035 -8.934 6.155 -2.816 183 HB3 SER2035 2HB SER2035 -8.243 4.770 -1.951 184 HG SER2035 HG SER2035 -10.279 4.230 -1.161 185 H ARG2036 H ARG2036 -10.634 5.783 0.825 186 HA ARG2036 HA ARG2036 -12.502 7.618 -0.012 187 HB2 ARG2036 1HB ARG2036 -12.939 5.507 1.290 188 HB3 ARG2036 2HB ARG2036 -12.306 6.299 2.743 189 HG2 ARG2036 1HG ARG2036 -14.237 7.438 3.073 190 HG3 ARG2036 2HG ARG2036 -14.360 7.911 1.368 191 HD2 ARG2036 1HD ARG2036 -14.843 5.070 1.601 192 HD3 ARG2036 2HD ARG2036 -15.866 5.913 2.776 193 HE ARG2036 HE ARG2036 -15.970 7.274 0.248 194 HH11 ARG2036 2HH2 ARG2036 -17.107 4.295 1.791 195 HH12 ARG2036 1HH2 ARG2036 -18.490 4.141 0.760 196 H LEU2037 H LEU2037 -9.950 7.755 2.490 197 HA LEU2037 HA LEU2037 -10.939 10.094 3.753 198 HB2 LEU2037 1HB LEU2037 -8.203 8.832 3.739 199 HB3 LEU2037 2HB LEU2037 -8.728 10.128 4.827 200 HG LEU2037 HG LEU2037 -10.484 7.785 4.893 201 HD11 LEU2037 1HD1 LEU2037 -8.934 6.184 4.823 202 HD12 LEU2037 2HD1 LEU2037 -7.594 7.348 4.957 203 HD13 LEU2037 3HD1 LEU2037 -8.423 6.775 6.424 204 HD21 LEU2037 3HD2 LEU2037 -9.060 9.548 6.875 205 HD22 LEU2037 1HD2 LEU2037 -10.806 9.346 6.588 206 HD23 LEU2037 2HD2 LEU2037 -9.879 8.054 7.389 207 H TYR2038 H TYR2038 -8.432 9.423 1.230 208 HA TYR2038 HA TYR2038 -7.558 12.043 0.942 209 HB2 TYR2038 1HB TYR2038 -6.573 9.891 0.016 210 HB3 TYR2038 2HB TYR2038 -7.953 9.748 -1.079 211 HD1 TYR2038 1HD TYR2038 -5.419 12.375 -0.161 212 HD2 TYR2038 2HD TYR2038 -7.510 10.318 -3.276 213 HE1 TYR2038 1HE TYR2038 -4.157 13.723 -1.908 214 HE2 TYR2038 2HE TYR2038 -6.240 11.673 -5.012 215 HH TYR2038 HH TYR2038 -3.497 13.270 -4.398 216 H PHE2039 H PHE2039 -10.032 10.226 -1.012 217 HA PHE2039 HA PHE2039 -10.747 12.556 -2.459 218 HB2 PHE2039 1HB PHE2039 -11.851 9.745 -1.981 219 HB3 PHE2039 2HB PHE2039 -12.749 10.886 -2.987 220 HD1 PHE2039 1HD PHE2039 -9.348 9.387 -2.645 221 HD2 PHE2039 2HD PHE2039 -12.314 10.928 -5.259 222 HE1 PHE2039 1HE PHE2039 -7.957 8.712 -4.624 223 HE2 PHE2039 2HE PHE2039 -10.924 10.253 -7.237 224 HZ PHE2039 HZ PHE2039 -8.762 9.153 -6.894 225 H GLY2040 H GLY2040 -12.203 10.704 0.289 226 HA2 GLY2040 2HA GLY2040 -14.605 12.028 0.530 227 HA3 GLY2040 3HA GLY2040 -13.697 11.322 1.853 228 H GLU2041 H GLU2041 -11.627 12.747 2.500 229 HA GLU2041 HA GLU2041 -12.464 15.536 2.418 230 HB2 GLU2041 1HB GLU2041 -11.885 15.810 4.760 231 HB3 GLU2041 2HB GLU2041 -13.055 14.485 4.618 232 HG2 GLU2041 1HG GLU2041 -10.503 13.290 4.336 233 HG3 GLU2041 2HG GLU2041 -10.325 14.455 5.659 234 HE2 GLU2041 HE GLU2041 -12.599 11.207 6.092 235 H ARG2042 H ARG2042 -10.238 16.494 4.018 236 HA ARG2042 HA ARG2042 -8.119 15.912 2.114 237 HB2 ARG2042 1HB ARG2042 -7.305 18.202 3.412 238 HB3 ARG2042 2HB ARG2042 -8.234 18.200 1.903 239 HG2 ARG2042 1HG ARG2042 -9.286 19.692 3.531 240 HG3 ARG2042 2HG ARG2042 -10.347 18.300 3.248 241 HD2 ARG2042 1HD ARG2042 -10.366 17.995 5.487 242 HD3 ARG2042 2HD ARG2042 -8.668 17.507 5.378 243 HE ARG2042 HE ARG2042 -9.717 20.134 6.239 244 HH11 ARG2042 2HH2 ARG2042 -6.871 18.234 5.322 245 HH12 ARG2042 1HH2 ARG2042 -5.748 19.327 6.062 246 H ASN2043 H ASN2043 -8.772 14.272 4.509 247 HA ASN2043 HA ASN2043 -6.567 14.956 6.265 248 HB2 ASN2043 1HB ASN2043 -8.987 13.131 6.504 249 HB3 ASN2043 2HB ASN2043 -7.636 12.983 7.638 250 HD21 ASN2043 1HD2 ASN2043 -9.284 13.518 9.214 251 HD22 ASN2043 2HD2 ASN2043 -9.669 15.175 9.542 252 H VAL2044 H VAL2044 -4.883 14.186 4.746 253 HA VAL2044 HA VAL2044 -4.964 11.640 3.572 254 HB VAL2044 HB VAL2044 -2.769 13.608 4.197 255 HG11 VAL2044 1HG1 VAL2044 -1.934 11.212 4.171 256 HG12 VAL2044 2HG1 VAL2044 -2.441 11.142 2.467 257 HG13 VAL2044 3HG1 VAL2044 -1.194 12.304 2.977 258 HG21 VAL2044 3HG2 VAL2044 -3.105 14.446 2.119 259 HG22 VAL2044 1HG2 VAL2044 -3.471 12.853 1.416 260 HG23 VAL2044 2HG2 VAL2044 -4.724 13.734 2.322 261 H LYS2045 H LYS2045 -4.428 12.711 6.836 262 HA LYS2045 HA LYS2045 -2.628 10.882 7.793 263 HB2 LYS2045 1HB LYS2045 -4.022 11.117 9.942 264 HB3 LYS2045 2HB LYS2045 -3.266 12.569 9.262 265 HG2 LYS2045 1HG LYS2045 -5.970 11.989 8.204 266 HG3 LYS2045 2HG LYS2045 -5.944 12.320 9.945 267 HD2 LYS2045 1HD LYS2045 -4.347 14.133 8.176 268 HD3 LYS2045 2HD LYS2045 -6.111 14.276 8.078 269 HE2 LYS2045 1HE LYS2045 -6.256 15.232 10.137 270 HE3 LYS2045 2HE LYS2045 -5.072 14.124 10.851 271 HZ1 LYS2045 2HZ LYS2045 -4.324 16.490 10.710 272 HZ3 LYS2045 1HZ LYS2045 -4.333 16.395 9.085 273 H GLY2046 H GLY2046 -6.059 10.460 6.889 274 HA2 GLY2046 2HA GLY2046 -6.539 7.993 8.095 275 HA3 GLY2046 3HA GLY2046 -7.319 8.614 6.654 276 H MET2047 H MET2047 -5.266 8.785 4.782 277 HA MET2047 HA MET2047 -5.056 6.134 3.996 278 HB2 MET2047 1HB MET2047 -5.025 7.945 2.372 279 HB3 MET2047 2HB MET2047 -3.624 8.705 3.143 280 HG2 MET2047 1HG MET2047 -3.386 5.879 2.101 281 HG3 MET2047 2HG MET2047 -3.334 7.218 0.948 282 HE1 MET2047 3HE MET2047 -0.442 9.332 1.944 283 HE2 MET2047 1HE MET2047 -2.194 9.357 1.633 284 HE3 MET2047 2HE MET2047 -1.586 9.450 3.302 285 H PHE2048 H PHE2048 -2.739 8.373 5.609 286 HA PHE2048 HA PHE2048 -0.566 6.559 5.446 287 HB2 PHE2048 1HB PHE2048 -1.324 9.063 7.030 288 HB3 PHE2048 2HB PHE2048 0.213 8.247 7.343 289 HD1 PHE2048 1HD PHE2048 0.913 7.484 4.528 290 HD2 PHE2048 2HD PHE2048 -0.618 11.100 6.138 291 HE1 PHE2048 1HE PHE2048 1.958 8.769 2.641 292 HE2 PHE2048 2HE PHE2048 0.427 12.383 4.250 293 HZ PHE2048 HZ PHE2048 1.703 11.202 2.526 294 H GLU2049 H GLU2049 -3.089 7.331 7.892 295 HA GLU2049 HA GLU2049 -1.868 5.697 9.855 296 HB2 GLU2049 1HB GLU2049 -3.711 6.272 11.231 297 HB3 GLU2049 2HB GLU2049 -3.432 7.708 10.234 298 HG2 GLU2049 1HG GLU2049 -5.736 7.472 10.033 299 HG3 GLU2049 2HG GLU2049 -5.201 6.545 8.624 300 HE2 GLU2049 HE GLU2049 -6.866 4.705 11.757 301 H VAL2050 H VAL2050 -3.706 5.087 7.022 302 HA VAL2050 HA VAL2050 -4.990 2.712 8.051 303 HB VAL2050 HB VAL2050 -4.912 4.198 5.446 304 HG11 VAL2050 1HG1 VAL2050 -6.166 1.456 5.804 305 HG12 VAL2050 2HG1 VAL2050 -6.190 2.469 4.339 306 HG13 VAL2050 3HG1 VAL2050 -4.657 1.774 4.918 307 HG21 VAL2050 3HG2 VAL2050 -6.513 4.549 7.533 308 HG22 VAL2050 1HG2 VAL2050 -7.118 4.687 5.864 309 HG23 VAL2050 2HG2 VAL2050 -7.391 3.191 6.789 310 H LEU2051 H LEU2051 -2.245 3.640 5.899 311 HA LEU2051 HA LEU2051 -1.593 0.906 5.374 312 HB2 LEU2051 1HB LEU2051 -0.126 3.486 4.854 313 HB3 LEU2051 2HB LEU2051 0.387 1.892 4.270 314 HG LEU2051 HG LEU2051 -1.011 1.973 2.531 315 HD11 LEU2051 1HD1 LEU2051 -3.198 3.267 4.176 316 HD12 LEU2051 2HD1 LEU2051 -3.354 2.409 2.625 317 HD13 LEU2051 3HD1 LEU2051 -2.913 1.512 4.099 318 HD21 LEU2051 3HD2 LEU2051 -0.799 3.988 1.623 319 HD22 LEU2051 1HD2 LEU2051 -1.999 4.683 2.741 320 HD23 LEU2051 2HD2 LEU2051 -0.285 4.595 3.213 321 H GLU2052 H GLU2052 -0.303 3.568 7.455 322 HA GLU2052 HA GLU2052 1.915 2.585 8.418 323 HB2 GLU2052 1HB GLU2052 -0.221 4.245 9.464 324 HB3 GLU2052 2HB GLU2052 0.522 3.319 10.781 325 HG2 GLU2052 1HG GLU2052 2.238 4.747 8.738 326 HG3 GLU2052 2HG GLU2052 1.542 5.649 10.092 327 HE2 GLU2052 HE GLU2052 3.501 3.950 12.457 328 HA PRO2053 HA PRO2053 -0.293 -0.526 11.230 329 HB2 PRO2053 1HB PRO2053 -2.986 -0.912 10.995 330 HB3 PRO2053 2HB PRO2053 -2.267 0.158 12.196 331 HG2 PRO2053 1HG PRO2053 -3.635 0.798 9.661 332 HG3 PRO2053 2HG PRO2053 -3.344 1.868 11.080 333 HD2 PRO2053 1HD PRO2053 -1.993 1.855 8.556 334 HD3 PRO2053 2HD PRO2053 -1.565 2.817 9.976 335 H LEU2054 H LEU2054 -2.184 -0.469 8.244 336 HA LEU2054 HA LEU2054 -2.330 -3.160 7.847 337 HB2 LEU2054 1HB LEU2054 -2.278 -0.766 6.092 338 HB3 LEU2054 2HB LEU2054 -2.145 -2.359 5.326 339 HG LEU2054 HG LEU2054 -4.318 -2.816 5.638 340 HD11 LEU2054 1HD1 LEU2054 -5.578 -2.042 7.752 341 HD12 LEU2054 2HD1 LEU2054 -4.329 -3.302 7.915 342 HD13 LEU2054 3HD1 LEU2054 -3.967 -1.622 8.379 343 HD21 LEU2054 3HD2 LEU2054 -5.292 -0.224 6.434 344 HD22 LEU2054 1HD2 LEU2054 -3.957 -0.047 5.272 345 HD23 LEU2054 2HD2 LEU2054 -5.377 -1.033 4.851 346 H HIS2055 H HIS2055 0.292 -0.940 6.659 347 HA HIS2055 HA HIS2055 1.849 -2.984 5.603 348 HB2 HIS2055 1HB HIS2055 2.477 -0.196 6.567 349 HB3 HIS2055 2HB HIS2055 3.708 -1.245 5.852 350 HD1 HIS2055 1HD HIS2055 2.943 1.413 4.479 351 HD2 HIS2055 2HD HIS2055 1.162 -2.280 3.589 352 HE1 HIS2055 1HE HIS2055 1.987 1.631 2.124 353 HE2 HIS2055 2HE HIS2055 0.901 -0.671 1.622 354 H ALA2056 H ALA2056 2.039 -1.281 8.806 355 HA ALA2056 HA ALA2056 4.185 -2.626 9.839 356 HB1 ALA2056 3HB ALA2056 2.891 -2.206 12.070 357 HB2 ALA2056 1HB ALA2056 3.354 -0.808 11.070 358 HB3 ALA2056 2HB ALA2056 1.682 -1.417 11.029 359 H MET2057 H MET2057 0.678 -3.557 9.991 360 HA MET2057 HA MET2057 0.954 -5.815 11.460 361 HB2 MET2057 1HB MET2057 -1.276 -5.810 10.998 362 HB3 MET2057 2HB MET2057 -1.009 -4.569 9.761 363 HG2 MET2057 1HG MET2057 -0.566 -6.321 8.079 364 HG3 MET2057 2HG MET2057 -0.732 -7.581 9.307 365 HE1 MET2057 3HE MET2057 -2.368 -5.856 6.520 366 HE2 MET2057 1HE MET2057 -2.358 -7.632 6.636 367 HE3 MET2057 2HE MET2057 -3.903 -6.751 6.607 368 H MET2058 H MET2058 1.563 -5.333 7.952 369 HA MET2058 HA MET2058 1.819 -8.053 7.365 370 HB2 MET2058 1HB MET2058 2.982 -5.545 6.048 371 HB3 MET2058 2HB MET2058 2.972 -7.143 5.282 372 HG2 MET2058 1HG MET2058 0.318 -6.358 6.286 373 HG3 MET2058 2HG MET2058 0.950 -5.200 5.111 374 HE1 MET2058 3HE MET2058 -1.529 -6.829 5.001 375 HE2 MET2058 1HE MET2058 -1.613 -7.969 3.638 376 HE3 MET2058 2HE MET2058 -1.122 -8.544 5.250 377 H GLU2059 H GLU2059 4.035 -5.595 8.672 378 HA GLU2059 HA GLU2059 6.348 -7.155 8.158 379 HB2 GLU2059 1HB GLU2059 6.153 -4.906 10.175 380 HB3 GLU2059 2HB GLU2059 7.556 -5.393 9.207 381 HG2 GLU2059 1HG GLU2059 5.085 -3.861 8.383 382 HG3 GLU2059 2HG GLU2059 6.784 -3.453 8.097 383 HE2 GLU2059 HE GLU2059 5.036 -4.913 5.125 384 H ARG2060 H ARG2060 4.766 -6.062 11.254 385 HA ARG2060 HA ARG2060 6.174 -7.961 12.743 386 HB2 ARG2060 1HB ARG2060 4.670 -7.271 14.598 387 HB3 ARG2060 2HB ARG2060 5.289 -5.858 13.727 388 HG2 ARG2060 1HG ARG2060 3.156 -5.838 12.387 389 HG3 ARG2060 2HG ARG2060 2.540 -7.149 13.408 390 HD2 ARG2060 1HD ARG2060 3.614 -4.688 14.760 391 HD3 ARG2060 2HD ARG2060 2.044 -4.554 13.951 392 HE ARG2060 HE ARG2060 2.258 -6.910 15.667 393 HH11 ARG2060 2HH2 ARG2060 1.503 -3.449 15.631 394 HH12 ARG2060 1HH2 ARG2060 0.535 -3.519 17.064 395 H GLY2061 H GLY2061 3.275 -8.057 10.796 396 HA2 GLY2061 2HA GLY2061 2.491 -10.634 12.018 397 HA3 GLY2061 3HA GLY2061 1.384 -9.513 11.253 398 HA PRO2062 HA PRO2062 3.997 -11.583 7.857 399 HB2 PRO2062 1HB PRO2062 5.488 -13.774 8.524 400 HB3 PRO2062 2HB PRO2062 6.162 -12.152 8.396 401 HG2 PRO2062 1HG PRO2062 5.470 -13.734 10.787 402 HG3 PRO2062 2HG PRO2062 6.579 -12.320 10.658 403 HD2 PRO2062 1HD PRO2062 3.928 -12.410 11.734 404 HD3 PRO2062 2HD PRO2062 4.916 -10.965 11.482 405 H GLN2063 H GLN2063 4.305 -14.247 7.079 406 HA GLN2063 HA GLN2063 1.815 -15.434 7.936 407 HB2 GLN2063 1HB GLN2063 2.180 -14.097 5.391 408 HB3 GLN2063 2HB GLN2063 1.870 -15.821 5.120 409 HG2 GLN2063 1HG GLN2063 0.180 -14.240 7.069 410 HG3 GLN2063 2HG GLN2063 -0.157 -14.150 5.334 411 HE21 GLN2063 1HE2 GLN2063 -2.067 -15.194 5.328 412 HE22 GLN2063 2HE2 GLN2063 -2.290 -16.866 5.727 413 H THR2064 H THR2064 4.016 -16.020 5.113 414 HA THR2064 HA THR2064 5.341 -18.180 6.461 415 HB THR2064 HB THR2064 4.459 -19.861 4.708 416 HG1 THR2064 1HG THR2064 2.478 -17.697 4.596 417 HG21 THR2064 3HG2 THR2064 2.477 -20.410 5.942 418 HG22 THR2064 1HG2 THR2064 3.520 -19.611 7.143 419 HG23 THR2064 2HG2 THR2064 2.185 -18.710 6.382 420 H LEU2065 H LEU2065 6.540 -19.511 4.474 421 HA LEU2065 HA LEU2065 8.411 -17.672 3.553 422 HB2 LEU2065 1HB LEU2065 8.320 -20.324 3.857 423 HB3 LEU2065 2HB LEU2065 8.083 -20.236 2.103 424 HG LEU2065 HG LEU2065 10.418 -20.567 2.613 425 HD11 LEU2065 1HD1 LEU2065 9.437 -18.633 0.932 426 HD12 LEU2065 2HD1 LEU2065 10.660 -17.739 1.869 427 HD13 LEU2065 3HD1 LEU2065 11.120 -19.211 0.980 428 HD21 LEU2065 3HD2 LEU2065 10.978 -17.994 3.877 429 HD22 LEU2065 1HD2 LEU2065 9.945 -19.048 4.873 430 HD23 LEU2065 2HD2 LEU2065 11.528 -19.633 4.303 431 H LYS2066 H LYS2066 5.305 -18.739 2.253 432 HA LYS2066 HA LYS2066 5.828 -17.897 -0.408 433 HB2 LYS2066 1HB LYS2066 3.639 -19.070 1.127 434 HB3 LYS2066 2HB LYS2066 3.079 -17.905 -0.088 435 HG2 LYS2066 1HG LYS2066 3.185 -19.826 -1.377 436 HG3 LYS2066 2HG LYS2066 4.828 -19.213 -1.635 437 HD2 LYS2066 1HD LYS2066 5.748 -20.747 -0.047 438 HD3 LYS2066 2HD LYS2066 4.154 -21.153 0.612 439 HE2 LYS2066 1HE LYS2066 3.754 -21.864 -1.970 440 HE3 LYS2066 2HE LYS2066 5.504 -22.113 -1.890 441 HZ1 LYS2066 2HZ LYS2066 4.859 -23.371 0.293 442 HZ3 LYS2066 1HZ LYS2066 4.677 -24.130 -1.136 443 H GLU2067 H GLU2067 4.322 -16.425 2.516 444 HA GLU2067 HA GLU2067 3.622 -14.075 1.108 445 HB2 GLU2067 1HB GLU2067 3.013 -15.242 3.590 446 HB3 GLU2067 2HB GLU2067 3.853 -13.737 4.007 447 HG2 GLU2067 1HG GLU2067 1.764 -12.840 3.751 448 HG3 GLU2067 2HG GLU2067 2.201 -12.825 2.035 449 HE2 GLU2067 HE GLU2067 -0.355 -14.937 1.263 450 H THR2068 H THR2068 6.536 -15.332 2.525 451 HA THR2068 HA THR2068 7.765 -12.940 3.330 452 HB THR2068 HB THR2068 8.656 -15.729 2.512 453 HG1 THR2068 1HG THR2068 7.773 -15.315 4.642 454 HG21 THR2068 3HG2 THR2068 10.443 -13.930 1.882 455 HG22 THR2068 1HG2 THR2068 10.521 -13.588 3.627 456 HG23 THR2068 2HG2 THR2068 10.948 -15.207 3.016 457 H SER2069 H SER2069 7.480 -14.550 0.142 458 HA SER2069 HA SER2069 9.325 -12.788 -1.058 459 HB2 SER2069 1HB SER2069 7.158 -14.468 -2.378 460 HB3 SER2069 2HB SER2069 8.606 -13.816 -3.164 461 HG SER2069 HG SER2069 9.791 -15.144 -1.442 462 H PHE2070 H PHE2070 5.844 -12.788 -0.376 463 HA PHE2070 HA PHE2070 5.122 -10.832 -2.269 464 HB2 PHE2070 1HB PHE2070 3.545 -12.386 -1.135 465 HB3 PHE2070 2HB PHE2070 4.007 -11.750 0.446 466 HD1 PHE2070 1HD PHE2070 3.578 -9.171 0.757 467 HD2 PHE2070 2HD PHE2070 1.639 -11.585 -2.143 468 HE1 PHE2070 1HE PHE2070 1.711 -7.500 0.616 469 HE2 PHE2070 2HE PHE2070 -0.228 -9.916 -2.286 470 HZ PHE2070 HZ PHE2070 -0.171 -7.892 -0.904 471 H ASN2071 H ASN2071 5.775 -10.659 1.304 472 HA ASN2071 HA ASN2071 5.393 -7.944 1.496 473 HB2 ASN2071 1HB ASN2071 5.612 -9.595 3.403 474 HB3 ASN2071 2HB ASN2071 7.357 -9.651 3.113 475 HD21 ASN2071 1HD2 ASN2071 8.610 -7.783 3.442 476 HD22 ASN2071 2HD2 ASN2071 8.103 -6.508 4.497 477 H GLN2072 H GLN2072 8.128 -9.937 0.387 478 HA GLN2072 HA GLN2072 10.018 -7.827 0.571 479 HB2 GLN2072 1HB GLN2072 9.999 -10.628 -0.535 480 HB3 GLN2072 2HB GLN2072 11.330 -9.541 -0.965 481 HG2 GLN2072 1HG GLN2072 11.470 -9.095 1.611 482 HG3 GLN2072 2HG GLN2072 10.517 -10.578 1.771 483 HE21 GLN2072 1HE2 GLN2072 12.345 -11.421 2.896 484 HE22 GLN2072 2HE2 GLN2072 13.705 -12.073 2.041 485 H ALA2073 H ALA2073 8.028 -9.370 -2.011 486 HA ALA2073 HA ALA2073 9.086 -8.217 -4.233 487 HB1 ALA2073 3HB ALA2073 6.117 -8.529 -3.647 488 HB2 ALA2073 1HB ALA2073 6.916 -8.573 -5.236 489 HB3 ALA2073 2HB ALA2073 7.196 -9.881 -4.063 490 H TYR2074 H TYR2074 6.545 -6.807 -2.051 491 HA TYR2074 HA TYR2074 6.807 -4.267 -3.422 492 HB2 TYR2074 1HB TYR2074 5.269 -5.043 -0.885 493 HB3 TYR2074 2HB TYR2074 4.854 -3.746 -2.011 494 HD1 TYR2074 2HD TYR2074 4.318 -4.556 -4.481 495 HD2 TYR2074 1HD TYR2074 4.126 -7.053 -1.012 496 HE1 TYR2074 2HE TYR2074 2.756 -6.147 -5.704 497 HE2 TYR2074 1HE TYR2074 2.565 -8.636 -2.246 498 HH TYR2074 HH TYR2074 1.435 -9.002 -4.050 499 H GLY2075 H GLY2075 8.028 -5.919 -0.567 500 HA2 GLY2075 2HA GLY2075 8.476 -4.113 1.332 501 HA3 GLY2075 3HA GLY2075 9.712 -5.240 0.805 502 H ARG2076 H ARG2076 10.016 -4.117 -1.918 503 HA ARG2076 HA ARG2076 11.793 -2.031 -1.179 504 HB2 ARG2076 1HB ARG2076 12.536 -3.579 -2.870 505 HB3 ARG2076 2HB ARG2076 11.071 -3.344 -3.839 506 HG2 ARG2076 1HG ARG2076 13.001 -2.140 -4.803 507 HG3 ARG2076 2HG ARG2076 11.747 -0.998 -4.286 508 HD2 ARG2076 1HD ARG2076 13.227 0.029 -2.930 509 HD3 ARG2076 2HD ARG2076 13.531 -1.483 -2.063 510 HE ARG2076 HE ARG2076 15.566 -1.600 -3.185 511 HH11 ARG2076 2HH2 ARG2076 13.326 0.286 -5.181 512 HH12 ARG2076 1HH2 ARG2076 14.504 0.618 -6.407 513 H ASP2077 H ASP2077 8.987 -2.350 -3.484 514 HA ASP2077 HA ASP2077 8.844 0.217 -4.291 515 HB2 ASP2077 1HB ASP2077 6.645 -1.791 -3.678 516 HB3 ASP2077 2HB ASP2077 6.306 -0.244 -4.470 517 HD2 ASP2077 HD ASP2077 7.244 -1.378 -7.539 518 H LEU2078 H LEU2078 7.066 -1.338 -1.508 519 HA LEU2078 HA LEU2078 5.794 0.906 -0.566 520 HB2 LEU2078 1HB LEU2078 6.821 -1.563 0.803 521 HB3 LEU2078 2HB LEU2078 5.862 -0.333 1.645 522 HG LEU2078 HG LEU2078 5.038 -2.195 -0.578 523 HD11 LEU2078 1HD1 LEU2078 3.167 -1.873 1.590 524 HD12 LEU2078 2HD1 LEU2078 4.019 -3.331 1.031 525 HD13 LEU2078 3HD1 LEU2078 4.786 -2.254 2.223 526 HD21 LEU2078 3HD2 LEU2078 3.729 0.393 0.252 527 HD22 LEU2078 1HD2 LEU2078 4.150 -0.176 -1.380 528 HD23 LEU2078 2HD2 LEU2078 2.814 -0.942 -0.490 529 H MET2079 H MET2079 9.169 -0.203 -0.113 530 HA MET2079 HA MET2079 9.812 1.517 1.946 531 HB2 MET2079 1HB MET2079 11.081 -0.386 0.281 532 HB3 MET2079 2HB MET2079 11.995 1.106 0.004 533 HG2 MET2079 1HG MET2079 13.018 0.887 2.012 534 HG3 MET2079 2HG MET2079 11.464 0.803 2.845 535 HE1 MET2079 3HE MET2079 11.074 -2.098 4.212 536 HE2 MET2079 1HE MET2079 12.796 -1.864 4.598 537 HE3 MET2079 2HE MET2079 11.721 -0.454 4.437 538 H GLU2080 H GLU2080 10.035 1.933 -1.646 539 HA GLU2080 HA GLU2080 11.236 4.433 -1.525 540 HB2 GLU2080 1HB GLU2080 11.202 3.010 -3.536 541 HB3 GLU2080 2HB GLU2080 9.451 3.236 -3.691 542 HG2 GLU2080 1HG GLU2080 9.697 5.288 -4.632 543 HG3 GLU2080 2HG GLU2080 10.939 5.780 -3.472 544 HE2 GLU2080 HE GLU2080 12.068 5.021 -7.048 545 H ALA2081 H ALA2081 7.766 3.553 -2.211 546 HA ALA2081 HA ALA2081 6.767 6.111 -2.244 547 HB1 ALA2081 3HB ALA2081 5.229 3.812 -1.036 548 HB2 ALA2081 1HB ALA2081 4.669 5.078 -2.153 549 HB3 ALA2081 2HB ALA2081 5.710 3.762 -2.747 550 H GLN2082 H GLN2082 7.426 3.916 0.536 551 HA GLN2082 HA GLN2082 6.181 5.424 2.460 552 HB2 GLN2082 1HB GLN2082 6.960 3.163 2.879 553 HB3 GLN2082 2HB GLN2082 8.650 3.644 2.645 554 HG2 GLN2082 1HG GLN2082 8.785 4.158 4.831 555 HG3 GLN2082 2HG GLN2082 7.525 5.385 4.630 556 HE21 GLN2082 1HE2 GLN2082 8.408 2.429 5.992 557 HE22 GLN2082 2HE2 GLN2082 6.873 1.910 6.604 558 H GLU2083 H GLU2083 9.513 5.639 1.093 559 HA GLU2083 HA GLU2083 10.436 7.528 2.899 560 HB2 GLU2083 1HB GLU2083 12.321 7.104 1.767 561 HB3 GLU2083 2HB GLU2083 11.397 6.167 0.583 562 HG2 GLU2083 1HG GLU2083 10.963 8.219 -0.715 563 HG3 GLU2083 2HG GLU2083 11.826 9.190 0.488 564 HE2 GLU2083 HE GLU2083 13.854 7.749 -2.427 565 H TRP2084 H TRP2084 8.607 7.794 -0.177 566 HA TRP2084 HA TRP2084 8.907 10.571 -0.482 567 HB2 TRP2084 1HB TRP2084 6.839 8.618 -1.480 568 HB3 TRP2084 2HB TRP2084 6.869 10.322 -1.936 569 HD1 TRP2084 HD TRP2084 8.476 7.006 -2.795 570 HE1 TRP2084 1HE TRP2084 10.245 7.226 -4.743 571 HE3 TRP2084 3HE TRP2084 8.630 12.089 -2.793 572 HZ2 TRP2084 2HZ TRP2084 11.481 9.449 -6.033 573 HZ3 TRP2084 3HZ TRP2084 10.144 13.204 -4.429 574 HH2 TRP2084 HH TRP2084 11.539 11.970 -6.011 575 H CYS2085 H CYS2085 6.758 8.450 1.429 576 HA CYS2085 HA CYS2085 4.838 10.391 2.035 577 HB2 CYS2085 1HB CYS2085 4.189 8.182 2.388 578 HB3 CYS2085 2HB CYS2085 5.645 7.780 3.315 579 HG CYS2085 HG CYS2085 5.049 8.732 5.475 580 H ARG2086 H ARG2086 7.643 9.064 3.951 581 HA ARG2086 HA ARG2086 7.423 10.778 6.051 582 HB2 ARG2086 1HB ARG2086 9.883 9.500 4.779 583 HB3 ARG2086 2HB ARG2086 9.940 10.335 6.341 584 HG2 ARG2086 1HG ARG2086 9.112 8.522 7.394 585 HG3 ARG2086 2HG ARG2086 7.725 8.440 6.292 586 HD2 ARG2086 1HD ARG2086 8.832 6.379 5.957 587 HD3 ARG2086 2HD ARG2086 9.418 7.363 4.608 588 HE ARG2086 HE ARG2086 11.559 7.261 5.534 589 HH11 ARG2086 2HH2 ARG2086 9.205 6.461 8.058 590 HH12 ARG2086 1HH2 ARG2086 10.414 6.041 9.226 591 H LYS2087 H LYS2087 9.088 11.188 2.881 592 HA LYS2087 HA LYS2087 10.423 13.564 3.510 593 HB2 LYS2087 1HB LYS2087 11.178 12.371 1.652 594 HB3 LYS2087 2HB LYS2087 9.562 12.248 0.935 595 HG2 LYS2087 1HG LYS2087 10.241 15.032 1.343 596 HG3 LYS2087 2HG LYS2087 11.555 14.240 0.456 597 HD2 LYS2087 1HD LYS2087 8.927 13.411 -0.530 598 HD3 LYS2087 2HD LYS2087 9.109 15.172 -0.601 599 HE2 LYS2087 1HE LYS2087 9.891 14.129 -2.689 600 HE3 LYS2087 2HE LYS2087 11.252 14.885 -1.846 601 HZ1 LYS2087 2HZ LYS2087 12.011 12.769 -1.153 602 HZ3 LYS2087 1HZ LYS2087 11.584 12.523 -2.704 603 H TYR2088 H TYR2088 7.099 12.846 2.373 604 HA TYR2088 HA TYR2088 6.469 15.583 1.891 605 HB2 TYR2088 1HB TYR2088 5.183 13.912 0.742 606 HB3 TYR2088 2HB TYR2088 5.104 12.868 2.163 607 HD1 TYR2088 1HD TYR2088 3.458 13.339 3.959 608 HD2 TYR2088 2HD TYR2088 3.555 15.639 0.351 609 HE1 TYR2088 1HE TYR2088 1.131 14.233 4.457 610 HE2 TYR2088 2HE TYR2088 1.229 16.525 0.864 611 HH TYR2088 HH TYR2088 -0.770 15.132 3.150 612 H MET2089 H MET2089 5.627 13.201 4.506 613 HA MET2089 HA MET2089 4.101 14.894 6.000 614 HB2 MET2089 1HB MET2089 5.976 12.599 6.723 615 HB3 MET2089 2HB MET2089 4.947 13.363 7.945 616 HG2 MET2089 1HG MET2089 3.066 12.896 6.067 617 HG3 MET2089 2HG MET2089 4.194 11.617 5.610 618 HE1 MET2089 3HE MET2089 1.059 10.523 7.434 619 HE2 MET2089 1HE MET2089 1.115 11.949 8.495 620 HE3 MET2089 2HE MET2089 1.335 12.137 6.740 621 H LYS2090 H LYS2090 7.640 14.699 5.685 622 HA LYS2090 HA LYS2090 8.190 16.223 8.019 623 HB2 LYS2090 1HB LYS2090 9.659 14.568 6.596 624 HB3 LYS2090 2HB LYS2090 10.095 16.041 5.715 625 HG2 LYS2090 1HG LYS2090 10.200 15.874 8.745 626 HG3 LYS2090 2HG LYS2090 11.573 15.383 7.739 627 HD2 LYS2090 1HD LYS2090 12.087 17.539 7.170 628 HD3 LYS2090 2HD LYS2090 10.391 18.046 7.092 629 HE2 LYS2090 1HE LYS2090 10.327 17.998 9.608 630 HE3 LYS2090 2HE LYS2090 12.059 17.626 9.618 631 HZ1 LYS2090 2HZ LYS2090 11.873 19.818 8.011 632 HZ3 LYS2090 1HZ LYS2090 12.294 19.859 9.584 633 H SER2091 H SER2091 8.318 16.999 4.468 634 HA SER2091 HA SER2091 6.973 19.365 4.712 635 HB2 SER2091 1HB SER2091 9.331 19.744 5.981 636 HB3 SER2091 2HB SER2091 9.836 20.150 4.332 637 HG SER2091 HG SER2091 9.069 22.079 4.962 638 H GLY2092 H GLY2092 6.432 17.779 2.825 639 HA2 GLY2092 2HA GLY2092 8.153 18.373 0.495 640 HA3 GLY2092 3HA GLY2092 7.187 16.924 0.696 641 H ASN2093 H ASN2093 5.749 17.084 -1.023 642 HA ASN2093 HA ASN2093 3.781 19.147 -0.741 643 HB2 ASN2093 1HB ASN2093 5.858 19.277 -2.763 644 HB3 ASN2093 2HB ASN2093 4.302 19.013 -3.567 645 HD21 ASN2093 1HD2 ASN2093 3.827 20.934 -4.378 646 HD22 ASN2093 2HD2 ASN2093 3.685 22.416 -3.495 647 H VAL2094 H VAL2094 1.887 18.647 -2.352 648 HA VAL2094 HA VAL2094 1.056 16.060 -2.104 649 HB VAL2094 HB VAL2094 -0.034 18.361 -2.919 650 HG11 VAL2094 1HG1 VAL2094 -0.023 16.759 -5.486 651 HG12 VAL2094 2HG1 VAL2094 -0.603 18.419 -5.212 652 HG13 VAL2094 3HG1 VAL2094 1.142 18.069 -5.173 653 HG21 VAL2094 3HG2 VAL2094 -2.066 17.066 -3.487 654 HG22 VAL2094 1HG2 VAL2094 -1.085 15.584 -3.565 655 HG23 VAL2094 2HG2 VAL2094 -1.262 16.454 -2.022 656 H LYS2095 H LYS2095 3.121 17.551 -4.607 657 HA LYS2095 HA LYS2095 2.966 15.673 -6.582 658 HB2 LYS2095 1HB LYS2095 4.191 17.835 -6.633 659 HB3 LYS2095 2HB LYS2095 5.484 17.093 -5.674 660 HG2 LYS2095 1HG LYS2095 5.946 15.485 -7.422 661 HG3 LYS2095 2HG LYS2095 4.500 15.963 -8.332 662 HD2 LYS2095 1HD LYS2095 5.685 17.550 -9.399 663 HD3 LYS2095 2HD LYS2095 6.107 18.315 -7.856 664 HE2 LYS2095 1HE LYS2095 7.827 16.227 -7.788 665 HE3 LYS2095 2HE LYS2095 7.676 16.389 -9.544 666 HZ1 LYS2095 2HZ LYS2095 9.368 17.842 -8.090 667 HZ3 LYS2095 1HZ LYS2095 8.097 18.860 -8.062 668 H ASP2096 H ASP2096 5.034 15.624 -3.609 669 HA ASP2096 HA ASP2096 6.202 13.175 -4.257 670 HB2 ASP2096 1HB ASP2096 5.756 14.259 -1.453 671 HB3 ASP2096 2HB ASP2096 7.078 13.217 -2.002 672 HD2 ASP2096 HD ASP2096 8.497 16.076 -3.733 673 H LEU2097 H LEU2097 3.261 14.222 -2.490 674 HA LEU2097 HA LEU2097 2.702 11.770 -1.244 675 HB2 LEU2097 1HB LEU2097 1.801 14.211 -0.931 676 HB3 LEU2097 2HB LEU2097 0.546 13.665 -2.057 677 HG LEU2097 HG LEU2097 1.215 12.545 0.674 678 HD11 LEU2097 1HD1 LEU2097 -0.098 14.555 0.790 679 HD12 LEU2097 2HD1 LEU2097 -1.235 13.938 -0.432 680 HD13 LEU2097 3HD1 LEU2097 -1.141 13.164 1.167 681 HD21 LEU2097 3HD2 LEU2097 -0.106 11.266 -1.614 682 HD22 LEU2097 1HD2 LEU2097 0.573 10.558 -0.129 683 HD23 LEU2097 2HD2 LEU2097 -1.068 11.246 -0.117 684 H THR2098 H THR2098 1.739 13.208 -4.413 685 HA THR2098 HA THR2098 0.027 11.107 -5.155 686 HB THR2098 HB THR2098 1.659 13.128 -6.780 687 HG1 THR2098 1HG THR2098 -1.147 12.973 -5.950 688 HG21 THR2098 3HG2 THR2098 0.818 11.954 -8.577 689 HG22 THR2098 1HG2 THR2098 -0.295 11.018 -7.551 690 HG23 THR2098 2HG2 THR2098 -0.745 12.653 -8.091 691 H GLN2099 H GLN2099 3.554 11.642 -5.685 692 HA GLN2099 HA GLN2099 3.937 9.503 -7.353 693 HB2 GLN2099 1HB GLN2099 5.531 11.375 -5.888 694 HB3 GLN2099 2HB GLN2099 6.226 9.765 -5.623 695 HG2 GLN2099 1HG GLN2099 6.812 9.517 -7.835 696 HG3 GLN2099 2HG GLN2099 5.416 10.429 -8.430 697 HE21 GLN2099 1HE2 GLN2099 5.495 12.651 -8.560 698 HE22 GLN2099 2HE2 GLN2099 6.966 13.563 -8.477 699 H ALA2100 H ALA2100 3.987 9.674 -3.741 700 HA ALA2100 HA ALA2100 4.759 7.011 -3.341 701 HB1 ALA2100 3HB ALA2100 4.750 8.999 -1.711 702 HB2 ALA2100 1HB ALA2100 3.014 8.672 -1.495 703 HB3 ALA2100 2HB ALA2100 4.214 7.431 -1.064 704 H TRP2101 H TRP2101 1.577 8.621 -3.807 705 HA TRP2101 HA TRP2101 0.022 6.374 -3.156 706 HB2 TRP2101 1HB TRP2101 -0.362 9.056 -4.085 707 HB3 TRP2101 2HB TRP2101 -1.350 7.958 -5.049 708 HD1 TRP2101 HD TRP2101 -1.311 9.674 -1.717 709 HE1 TRP2101 1HE TRP2101 -3.321 8.951 -0.169 710 HE3 TRP2101 3HE TRP2101 -2.738 5.695 -4.543 711 HZ2 TRP2101 2HZ TRP2101 -5.239 6.842 -0.297 712 HZ3 TRP2101 3HZ TRP2101 -4.690 4.357 -3.760 713 HH2 TRP2101 HH TRP2101 -5.926 4.874 -1.716 714 H ASP2102 H ASP2102 1.778 7.480 -6.059 715 HA ASP2102 HA ASP2102 0.483 5.845 -7.884 716 HB2 ASP2102 1HB ASP2102 2.797 7.577 -7.770 717 HB3 ASP2102 2HB ASP2102 3.244 6.091 -8.624 718 HD2 ASP2102 HD ASP2102 0.331 8.334 -10.241 719 H LEU2103 H LEU2103 3.560 5.470 -5.973 720 HA LEU2103 HA LEU2103 4.304 2.992 -6.929 721 HB2 LEU2103 1HB LEU2103 4.768 4.500 -4.393 722 HB3 LEU2103 2HB LEU2103 5.368 2.839 -4.558 723 HG LEU2103 HG LEU2103 6.482 3.713 -6.732 724 HD11 LEU2103 1HD1 LEU2103 5.344 5.841 -6.899 725 HD12 LEU2103 2HD1 LEU2103 5.954 6.333 -5.301 726 HD13 LEU2103 3HD1 LEU2103 7.086 6.110 -6.656 727 HD21 LEU2103 3HD2 LEU2103 7.668 4.843 -4.206 728 HD22 LEU2103 1HD2 LEU2103 7.522 3.086 -4.453 729 HD23 LEU2103 2HD2 LEU2103 8.477 4.069 -5.589 730 H TYR2104 H TYR2104 2.270 3.806 -4.035 731 HA TYR2104 HA TYR2104 1.775 1.230 -3.207 732 HB2 TYR2104 1HB TYR2104 0.144 3.828 -3.323 733 HB3 TYR2104 2HB TYR2104 -0.428 2.427 -2.412 734 HD1 TYR2104 1HD TYR2104 2.332 1.559 -1.366 735 HD2 TYR2104 2HD TYR2104 0.369 5.357 -1.512 736 HE1 TYR2104 1HE TYR2104 3.677 2.340 0.645 737 HE2 TYR2104 2HE TYR2104 1.720 6.125 0.500 738 HH TYR2104 HH TYR2104 3.864 5.576 1.540 739 H TYR2105 H TYR2105 -0.275 3.272 -5.416 740 HA TYR2105 HA TYR2105 -2.236 1.460 -5.939 741 HB2 TYR2105 1HB TYR2105 -1.473 3.953 -6.761 742 HB3 TYR2105 2HB TYR2105 -0.946 3.051 -8.187 743 HD1 TYR2105 2HD TYR2105 -3.222 0.973 -8.108 744 HD2 TYR2105 1HD TYR2105 -3.195 5.239 -7.790 745 HE1 TYR2105 2HE TYR2105 -5.595 1.063 -9.016 746 HE2 TYR2105 1HE TYR2105 -5.568 5.315 -8.700 747 HH TYR2105 HH TYR2105 -7.213 4.185 -9.522 748 H HIS2106 H HIS2106 1.083 1.599 -7.299 749 HA HIS2106 HA HIS2106 0.633 -0.238 -9.354 750 HB2 HIS2106 1HB HIS2106 2.897 1.105 -8.077 751 HB3 HIS2106 2HB HIS2106 3.300 -0.510 -8.671 752 HD1 HIS2106 1HD HIS2106 4.753 0.366 -10.621 753 HD2 HIS2106 2HD HIS2106 0.802 1.772 -10.690 754 HE1 HIS2106 1HE HIS2106 4.424 1.460 -12.902 755 HE2 HIS2106 2HE HIS2106 1.975 2.313 -12.892 756 H VAL2107 H VAL2107 1.727 -0.606 -5.931 757 HA VAL2107 HA VAL2107 2.007 -3.436 -6.203 758 HB VAL2107 HB VAL2107 2.881 -3.364 -4.115 759 HG11 VAL2107 1HG1 VAL2107 4.330 -1.573 -3.981 760 HG12 VAL2107 2HG1 VAL2107 3.782 -1.431 -5.669 761 HG13 VAL2107 3HG1 VAL2107 3.078 -0.384 -4.412 762 HG21 VAL2107 3HG2 VAL2107 2.134 -1.969 -2.270 763 HG22 VAL2107 1HG2 VAL2107 1.066 -1.051 -3.359 764 HG23 VAL2107 2HG2 VAL2107 0.734 -2.767 -3.025 765 H PHE2108 H PHE2108 -0.485 -1.122 -5.066 766 HA PHE2108 HA PHE2108 -2.147 -3.094 -3.926 767 HB2 PHE2108 1HB PHE2108 -2.209 -0.210 -4.804 768 HB3 PHE2108 2HB PHE2108 -3.788 -0.984 -4.633 769 HD1 PHE2108 1HD PHE2108 -4.525 -1.787 -2.424 770 HD2 PHE2108 2HD PHE2108 -0.879 0.331 -2.900 771 HE1 PHE2108 1HE PHE2108 -4.452 -1.357 0.049 772 HE2 PHE2108 2HE PHE2108 -0.806 0.760 -0.427 773 HZ PHE2108 HZ PHE2108 -2.592 -0.090 1.017 774 H ARG2109 H ARG2109 -1.745 -1.740 -7.209 775 HA ARG2109 HA ARG2109 -4.169 -2.921 -8.105 776 HB2 ARG2109 1HB ARG2109 -3.611 -1.985 -10.253 777 HB3 ARG2109 2HB ARG2109 -3.096 -0.790 -9.051 778 HG2 ARG2109 1HG ARG2109 -0.781 -1.578 -9.224 779 HG3 ARG2109 2HG ARG2109 -1.265 -2.874 -10.330 780 HD2 ARG2109 1HD ARG2109 -2.260 -0.387 -11.375 781 HD3 ARG2109 2HD ARG2109 -0.556 -0.149 -10.955 782 HE ARG2109 HE ARG2109 -1.644 -1.940 -13.028 783 HH11 ARG2109 2HH2 ARG2109 1.181 -1.095 -11.065 784 HH12 ARG2109 1HH2 ARG2109 2.309 -1.849 -12.140 785 H ARG2110 H ARG2110 -0.735 -3.756 -7.882 786 HA ARG2110 HA ARG2110 -0.753 -5.722 -9.865 787 HB2 ARG2110 1HB ARG2110 1.026 -5.011 -7.532 788 HB3 ARG2110 2HB ARG2110 1.302 -6.551 -8.366 789 HG2 ARG2110 1HG ARG2110 0.992 -4.037 -9.997 790 HG3 ARG2110 2HG ARG2110 2.525 -4.307 -9.150 791 HD2 ARG2110 1HD ARG2110 1.848 -6.776 -10.394 792 HD3 ARG2110 2HD ARG2110 1.538 -5.523 -11.605 793 HE ARG2110 HE ARG2110 4.020 -4.868 -10.492 794 HH11 ARG2110 2HH2 ARG2110 2.675 -7.686 -12.167 795 HH12 ARG2110 1HH2 ARG2110 4.198 -8.170 -12.835 796 H ILE2111 H ILE2111 -0.979 -5.844 -6.235 797 HA ILE2111 HA ILE2111 -1.103 -8.500 -5.813 798 HB ILE2111 HB ILE2111 -2.748 -7.880 -3.952 799 HG12 ILE2111 1HG1 ILE2111 -2.263 -5.165 -5.179 800 HG13 ILE2111 2HG1 ILE2111 -3.817 -5.954 -4.856 801 HG21 ILE2111 1HG2 ILE2111 -1.004 -7.001 -2.614 802 HG22 ILE2111 2HG2 ILE2111 -0.228 -8.056 -3.818 803 HG23 ILE2111 3HG2 ILE2111 -0.178 -6.288 -4.019 804 HD11 ILE2111 3HD1 ILE2111 -3.172 -5.916 -2.376 805 HD12 ILE2111 1HD1 ILE2111 -1.810 -4.867 -2.839 806 HD13 ILE2111 2HD1 ILE2111 -3.482 -4.325 -3.112 807 H SER2112 H SER2112 -3.563 -6.439 -7.355 808 HA SER2112 HA SER2112 -5.477 -8.562 -7.303 809 HB2 SER2112 1HB SER2112 -6.943 -7.000 -8.451 810 HB3 SER2112 2HB SER2112 -6.139 -6.155 -7.115 811 HG SER2112 HG SER2112 -5.985 -5.738 -9.883 812 H LYS2113 H LYS2113 -3.700 -6.657 -9.850 813 HA LYS2113 HA LYS2113 -4.471 -7.920 -12.079 814 HB2 LYS2113 1HB LYS2113 -2.091 -6.491 -11.185 815 HB3 LYS2113 2HB LYS2113 -1.744 -7.641 -12.487 816 HG2 LYS2113 1HG LYS2113 -4.115 -6.465 -13.324 817 HG3 LYS2113 2HG LYS2113 -3.282 -5.110 -12.542 818 HD2 LYS2113 1HD LYS2113 -1.729 -6.882 -14.417 819 HD3 LYS2113 2HD LYS2113 -2.863 -5.714 -15.118 820 HE2 LYS2113 1HE LYS2113 -1.177 -4.211 -14.942 821 HE3 LYS2113 2HE LYS2113 -1.500 -4.206 -13.202 822 HZ1 LYS2113 2HZ LYS2113 0.805 -4.708 -13.537 823 HZ3 LYS2113 1HZ LYS2113 0.495 -5.873 -14.633 824 H GLN2114 H GLN2114 -4.536 -9.966 -12.843 825 HA GLN2114 HA GLN2114 -3.882 -12.112 -11.364 826 HB2 GLN2114 1HB GLN2114 -4.054 -11.740 -14.365 827 HB3 GLN2114 2HB GLN2114 -3.794 -13.340 -13.649 828 HG2 GLN2114 1HG GLN2114 -5.889 -12.477 -12.139 829 HG3 GLN2114 2HG GLN2114 -6.228 -11.598 -13.640 830 HE21 GLN2114 1HE2 GLN2114 -6.319 -14.556 -11.970 831 HE22 GLN2114 2HE2 GLN2114 -6.886 -15.587 -13.239 Start of MODEL 6 1 H MET2014 H MET2014 -13.180 -10.970 -15.891 2 HA MET2014 HA MET2014 -15.570 -10.069 -15.019 3 HB2 MET2014 1HB MET2014 -13.468 -11.888 -13.772 4 HB3 MET2014 2HB MET2014 -15.039 -11.660 -12.990 5 HG2 MET2014 1HG MET2014 -16.115 -12.960 -14.533 6 HG3 MET2014 2HG MET2014 -15.218 -12.270 -15.888 7 HE1 MET2014 3HE MET2014 -13.046 -15.027 -16.876 8 HE2 MET2014 1HE MET2014 -14.434 -13.987 -17.279 9 HE3 MET2014 2HE MET2014 -12.889 -13.257 -16.784 10 H GLU2015 H GLU2015 -15.974 -9.873 -12.386 11 HA GLU2015 HA GLU2015 -15.040 -7.304 -11.808 12 HB2 GLU2015 1HB GLU2015 -16.697 -9.378 -10.410 13 HB3 GLU2015 2HB GLU2015 -16.086 -8.023 -9.447 14 HG2 GLU2015 1HG GLU2015 -17.870 -6.859 -10.202 15 HG3 GLU2015 2HG GLU2015 -17.057 -6.798 -11.773 16 HE2 GLU2015 HE GLU2015 -19.380 -8.827 -13.236 17 H LEU2016 H LEU2016 -13.622 -10.414 -11.430 18 HA LEU2016 HA LEU2016 -11.735 -11.096 -10.508 19 HB2 LEU2016 1HB LEU2016 -11.338 -8.346 -10.976 20 HB3 LEU2016 2HB LEU2016 -10.631 -8.704 -9.390 21 HG LEU2016 HG LEU2016 -8.986 -8.861 -11.187 22 HD11 LEU2016 1HD1 LEU2016 -8.233 -10.225 -9.540 23 HD12 LEU2016 2HD1 LEU2016 -9.712 -11.215 -9.521 24 HD13 LEU2016 3HD1 LEU2016 -8.490 -11.462 -10.792 25 HD21 LEU2016 3HD2 LEU2016 -9.956 -11.331 -12.401 26 HD22 LEU2016 1HD2 LEU2016 -11.040 -9.950 -12.690 27 HD23 LEU2016 2HD2 LEU2016 -9.325 -9.847 -13.156 28 H ILE2017 H ILE2017 -13.381 -12.094 -9.012 29 HA ILE2017 HA ILE2017 -14.276 -11.126 -6.685 30 HB ILE2017 HB ILE2017 -13.090 -13.865 -7.149 31 HG12 ILE2017 1HG1 ILE2017 -15.772 -14.161 -7.365 32 HG13 ILE2017 2HG1 ILE2017 -15.575 -12.542 -8.062 33 HG21 ILE2017 1HG2 ILE2017 -14.150 -14.641 -5.262 34 HG22 ILE2017 2HG2 ILE2017 -13.654 -13.017 -4.729 35 HG23 ILE2017 3HG2 ILE2017 -15.332 -13.311 -5.241 36 HD11 ILE2017 3HD1 ILE2017 -14.666 -13.406 -9.951 37 HD12 ILE2017 1HD1 ILE2017 -13.495 -14.364 -9.015 38 HD13 ILE2017 2HD1 ILE2017 -15.119 -15.016 -9.340 39 H ARG2018 H ARG2018 -13.515 -10.471 -4.711 40 HA ARG2018 HA ARG2018 -10.625 -10.625 -4.440 41 HB2 ARG2018 1HB ARG2018 -12.663 -8.641 -3.344 42 HB3 ARG2018 2HB ARG2018 -10.969 -8.656 -2.822 43 HG2 ARG2018 1HG ARG2018 -11.664 -8.541 -5.761 44 HG3 ARG2018 2HG ARG2018 -11.726 -7.061 -4.787 45 HD2 ARG2018 1HD ARG2018 -9.281 -8.277 -4.091 46 HD3 ARG2018 2HD ARG2018 -9.402 -8.516 -5.841 47 HE ARG2018 HE ARG2018 -10.103 -5.870 -5.526 48 HH11 ARG2018 2HH2 ARG2018 -7.326 -7.766 -4.409 49 HH12 ARG2018 1HH2 ARG2018 -6.243 -6.414 -4.417 50 H VAL2019 H VAL2019 -10.315 -12.534 -3.246 51 HA VAL2019 HA VAL2019 -11.933 -13.726 -1.477 52 HB VAL2019 HB VAL2019 -10.025 -14.882 -1.962 53 HG11 VAL2019 1HG1 VAL2019 -8.332 -13.728 -2.858 54 HG12 VAL2019 2HG1 VAL2019 -8.788 -12.246 -1.984 55 HG13 VAL2019 3HG1 VAL2019 -7.747 -13.457 -1.200 56 HG21 VAL2019 3HG2 VAL2019 -9.478 -13.676 0.769 57 HG22 VAL2019 1HG2 VAL2019 -10.414 -15.147 0.408 58 HG23 VAL2019 2HG2 VAL2019 -8.659 -15.114 0.115 59 HA PRO2020 HA PRO2020 -12.381 -10.900 1.789 60 HB2 PRO2020 1HB PRO2020 -13.824 -12.481 3.484 61 HB3 PRO2020 2HB PRO2020 -14.551 -11.572 2.163 62 HG2 PRO2020 1HG PRO2020 -13.940 -14.450 2.376 63 HG3 PRO2020 2HG PRO2020 -15.090 -13.626 1.264 64 HD2 PRO2020 1HD PRO2020 -12.502 -14.701 0.670 65 HD3 PRO2020 2HD PRO2020 -13.528 -13.758 -0.419 66 H ILE2021 H ILE2021 -10.877 -13.964 2.099 67 HA ILE2021 HA ILE2021 -9.532 -12.932 4.500 68 HB ILE2021 HB ILE2021 -9.114 -15.492 4.828 69 HG12 ILE2021 1HG1 ILE2021 -10.359 -15.848 2.551 70 HG13 ILE2021 2HG1 ILE2021 -10.566 -16.996 3.884 71 HG21 ILE2021 1HG2 ILE2021 -10.182 -14.463 6.574 72 HG22 ILE2021 2HG2 ILE2021 -11.481 -13.811 5.547 73 HG23 ILE2021 3HG2 ILE2021 -11.479 -15.535 5.991 74 HD11 ILE2021 3HD1 ILE2021 -12.431 -14.625 3.595 75 HD12 ILE2021 1HD1 ILE2021 -12.687 -16.097 2.628 76 HD13 ILE2021 2HD1 ILE2021 -12.722 -16.184 4.405 77 H LEU2022 H LEU2022 -7.862 -11.864 3.385 78 HA LEU2022 HA LEU2022 -5.647 -13.382 2.762 79 HB2 LEU2022 1HB LEU2022 -7.412 -13.725 0.757 80 HB3 LEU2022 2HB LEU2022 -6.537 -12.302 0.163 81 HG LEU2022 HG LEU2022 -5.339 -14.984 0.914 82 HD11 LEU2022 1HD1 LEU2022 -6.596 -15.096 -1.160 83 HD12 LEU2022 2HD1 LEU2022 -5.739 -13.668 -1.787 84 HD13 LEU2022 3HD1 LEU2022 -4.851 -15.181 -1.492 85 HD21 LEU2022 3HD2 LEU2022 -3.363 -13.731 -0.418 86 HD22 LEU2022 1HD2 LEU2022 -4.119 -12.333 0.382 87 HD23 LEU2022 2HD2 LEU2022 -3.530 -13.702 1.353 88 H TRP2023 H TRP2023 -3.807 -12.033 2.305 89 HA TRP2023 HA TRP2023 -3.843 -9.576 3.480 90 HB2 TRP2023 1HB TRP2023 -2.029 -11.020 1.647 91 HB3 TRP2023 2HB TRP2023 -1.787 -9.276 1.765 92 HD1 TRP2023 HD TRP2023 -2.958 -10.895 4.987 93 HE1 TRP2023 1HE TRP2023 -1.029 -11.059 6.780 94 HE3 TRP2023 3HE TRP2023 0.809 -9.631 1.816 95 HZ2 TRP2023 2HZ TRP2023 1.793 -10.650 6.673 96 HZ3 TRP2023 3HZ TRP2023 3.121 -9.533 2.741 97 HH2 TRP2023 HH TRP2023 3.643 -10.019 5.079 98 H HIS2024 H HIS2024 -4.140 -10.402 -0.044 99 HA HIS2024 HA HIS2024 -4.263 -7.904 -1.076 100 HB2 HIS2024 1HB HIS2024 -6.160 -10.016 -2.041 101 HB3 HIS2024 2HB HIS2024 -5.204 -8.859 -2.975 102 HD1 HIS2024 1HD HIS2024 -5.321 -12.159 -3.109 103 HD2 HIS2024 2HD HIS2024 -2.233 -9.715 -1.665 104 HE1 HIS2024 1HE HIS2024 -3.185 -13.549 -3.248 105 HE2 HIS2024 2HE HIS2024 -1.312 -11.998 -2.342 106 H GLU2025 H GLU2025 -6.523 -9.450 1.097 107 HA GLU2025 HA GLU2025 -8.747 -7.880 0.363 108 HB2 GLU2025 1HB GLU2025 -8.739 -10.128 1.585 109 HB3 GLU2025 2HB GLU2025 -8.296 -9.235 3.049 110 HG2 GLU2025 1HG GLU2025 -10.484 -7.851 1.843 111 HG3 GLU2025 2HG GLU2025 -10.905 -9.571 1.833 112 HE2 GLU2025 HE GLU2025 -11.941 -8.211 5.016 113 H MET2026 H MET2026 -6.035 -7.575 2.672 114 HA MET2026 HA MET2026 -7.184 -5.412 4.065 115 HB2 MET2026 1HB MET2026 -5.138 -5.414 5.266 116 HB3 MET2026 2HB MET2026 -5.240 -7.092 4.712 117 HG2 MET2026 1HG MET2026 -3.062 -6.578 4.073 118 HG3 MET2026 2HG MET2026 -3.917 -6.113 2.600 119 HE1 MET2026 3HE MET2026 -1.214 -5.398 3.291 120 HE2 MET2026 1HE MET2026 -0.921 -3.651 3.468 121 HE3 MET2026 2HE MET2026 -1.114 -4.669 4.913 122 H TRP2027 H TRP2027 -5.157 -5.774 1.160 123 HA TRP2027 HA TRP2027 -4.334 -3.058 1.061 124 HB2 TRP2027 1HB TRP2027 -4.409 -5.245 -1.018 125 HB3 TRP2027 2HB TRP2027 -3.705 -3.647 -1.281 126 HD1 TRP2027 HD TRP2027 -3.134 -6.777 0.964 127 HE1 TRP2027 1HE TRP2027 -0.602 -6.955 1.688 128 HE3 TRP2027 3HE TRP2027 -1.691 -2.356 -1.090 129 HZ2 TRP2027 2HZ TRP2027 1.668 -5.264 1.328 130 HZ3 TRP2027 3HZ TRP2027 0.701 -1.694 -0.859 131 HH2 TRP2027 HH TRP2027 2.357 -3.066 0.301 132 H HIS2028 H HIS2028 -6.863 -5.053 -0.626 133 HA HIS2028 HA HIS2028 -7.926 -3.045 -2.159 134 HB2 HIS2028 1HB HIS2028 -8.905 -4.927 -2.822 135 HB3 HIS2028 2HB HIS2028 -8.697 -5.706 -1.250 136 HD1 HIS2028 1HD HIS2028 -11.174 -3.867 -3.362 137 HD2 HIS2028 2HD HIS2028 -10.901 -5.352 0.552 138 HE1 HIS2028 1HE HIS2028 -13.544 -3.829 -2.415 139 HE2 HIS2028 2HE HIS2028 -13.320 -4.752 -0.002 140 H GLU2029 H GLU2029 -9.120 -4.191 1.084 141 HA GLU2029 HA GLU2029 -10.913 -2.059 1.305 142 HB2 GLU2029 1HB GLU2029 -11.413 -2.921 3.443 143 HB3 GLU2029 2HB GLU2029 -10.915 -4.349 2.518 144 HG2 GLU2029 1HG GLU2029 -8.638 -4.164 3.484 145 HG3 GLU2029 2HG GLU2029 -9.132 -2.736 4.404 146 HE2 GLU2029 HE GLU2029 -9.819 -6.314 5.827 147 H GLY2030 H GLY2030 -7.499 -2.543 2.213 148 HA2 GLY2030 2HA GLY2030 -7.192 -0.460 4.044 149 HA3 GLY2030 3HA GLY2030 -5.943 -1.139 3.019 150 H LEU2031 H LEU2031 -6.250 -0.455 0.527 151 HA LEU2031 HA LEU2031 -5.832 2.300 0.449 152 HB2 LEU2031 1HB LEU2031 -5.367 0.161 -1.172 153 HB3 LEU2031 2HB LEU2031 -6.633 1.020 -2.068 154 HG LEU2031 HG LEU2031 -5.284 2.984 -2.237 155 HD11 LEU2031 1HD1 LEU2031 -4.110 3.460 -0.376 156 HD12 LEU2031 2HD1 LEU2031 -3.772 1.750 -0.014 157 HD13 LEU2031 3HD1 LEU2031 -2.800 2.611 -1.232 158 HD21 LEU2031 3HD2 LEU2031 -4.273 2.061 -3.981 159 HD22 LEU2031 1HD2 LEU2031 -3.001 1.430 -2.908 160 HD23 LEU2031 2HD2 LEU2031 -4.444 0.447 -3.250 161 H GLU2032 H GLU2032 -8.748 0.301 0.162 162 HA GLU2032 HA GLU2032 -10.367 2.052 -1.168 163 HB2 GLU2032 1HB GLU2032 -10.674 -0.270 0.596 164 HB3 GLU2032 2HB GLU2032 -12.043 0.849 0.726 165 HG2 GLU2032 1HG GLU2032 -10.924 -0.288 -1.873 166 HG3 GLU2032 2HG GLU2032 -12.369 -0.890 -1.051 167 HE2 GLU2032 HE GLU2032 -13.147 1.642 -3.652 168 H GLU2033 H GLU2033 -9.832 1.743 2.413 169 HA GLU2033 HA GLU2033 -11.483 3.931 2.996 170 HB2 GLU2033 1HB GLU2033 -11.150 2.339 4.717 171 HB3 GLU2033 2HB GLU2033 -9.385 2.394 4.562 172 HG2 GLU2033 1HG GLU2033 -9.218 4.201 5.928 173 HG3 GLU2033 2HG GLU2033 -10.594 5.024 5.174 174 HE2 GLU2033 HE GLU2033 -11.198 3.768 8.675 175 H ALA2034 H ALA2034 -7.885 3.512 2.789 176 HA ALA2034 HA ALA2034 -7.188 6.095 3.488 177 HB1 ALA2034 3HB ALA2034 -5.546 4.342 3.373 178 HB2 ALA2034 1HB ALA2034 -5.897 4.040 1.654 179 HB3 ALA2034 2HB ALA2034 -5.099 5.552 2.148 180 H SER2035 H SER2035 -7.930 4.669 0.238 181 HA SER2035 HA SER2035 -7.406 6.929 -1.215 182 HB2 SER2035 1HB SER2035 -8.774 5.923 -2.962 183 HB3 SER2035 2HB SER2035 -7.837 4.654 -2.153 184 HG SER2035 HG SER2035 -10.642 5.199 -2.084 185 H ARG2036 H ARG2036 -10.418 5.856 0.466 186 HA ARG2036 HA ARG2036 -12.042 7.850 -0.520 187 HB2 ARG2036 1HB ARG2036 -12.808 5.802 0.703 188 HB3 ARG2036 2HB ARG2036 -12.183 6.483 2.216 189 HG2 ARG2036 1HG ARG2036 -13.845 8.458 0.953 190 HG3 ARG2036 2HG ARG2036 -14.738 6.927 0.963 191 HD2 ARG2036 1HD ARG2036 -13.700 6.934 3.499 192 HD3 ARG2036 2HD ARG2036 -13.897 8.673 3.236 193 HE ARG2036 HE ARG2036 -16.290 7.478 2.363 194 HH11 ARG2036 2HH2 ARG2036 -14.494 7.685 5.411 195 HH12 ARG2036 1HH2 ARG2036 -15.911 7.557 6.397 196 H LEU2037 H LEU2037 -9.685 7.760 2.162 197 HA LEU2037 HA LEU2037 -10.563 10.156 3.392 198 HB2 LEU2037 1HB LEU2037 -7.985 8.607 3.524 199 HB3 LEU2037 2HB LEU2037 -8.349 10.015 4.536 200 HG LEU2037 HG LEU2037 -10.351 7.834 4.587 201 HD11 LEU2037 1HD1 LEU2037 -8.537 6.901 6.449 202 HD12 LEU2037 2HD1 LEU2037 -8.897 6.167 4.868 203 HD13 LEU2037 3HD1 LEU2037 -7.518 7.280 5.038 204 HD21 LEU2037 3HD2 LEU2037 -9.970 8.334 7.117 205 HD22 LEU2037 1HD2 LEU2037 -9.108 9.769 6.514 206 HD23 LEU2037 2HD2 LEU2037 -10.819 9.518 6.095 207 H TYR2038 H TYR2038 -8.366 9.326 0.713 208 HA TYR2038 HA TYR2038 -7.300 12.003 0.597 209 HB2 TYR2038 1HB TYR2038 -5.976 9.980 0.000 210 HB3 TYR2038 2HB TYR2038 -7.220 9.461 -1.142 211 HD1 TYR2038 1HD TYR2038 -4.451 11.822 -0.542 212 HD2 TYR2038 2HD TYR2038 -7.370 10.452 -3.354 213 HE1 TYR2038 1HE TYR2038 -3.236 13.044 -2.410 214 HE2 TYR2038 2HE TYR2038 -6.146 11.680 -5.212 215 HH TYR2038 HH TYR2038 -4.014 12.517 -5.713 216 H PHE2039 H PHE2039 -9.355 9.887 -1.533 217 HA PHE2039 HA PHE2039 -9.940 12.039 -3.284 218 HB2 PHE2039 1HB PHE2039 -11.131 9.271 -2.707 219 HB3 PHE2039 2HB PHE2039 -11.677 10.266 -4.061 220 HD1 PHE2039 1HD PHE2039 -9.402 11.253 -5.366 221 HD2 PHE2039 2HD PHE2039 -9.817 7.527 -3.378 222 HE1 PHE2039 1HE PHE2039 -7.574 10.291 -6.790 223 HE2 PHE2039 2HE PHE2039 -7.989 6.564 -4.802 224 HZ PHE2039 HZ PHE2039 -6.888 7.958 -6.492 225 H GLY2040 H GLY2040 -11.763 10.316 -0.666 226 HA2 GLY2040 2HA GLY2040 -14.157 11.764 -0.956 227 HA3 GLY2040 3HA GLY2040 -13.630 10.869 0.455 228 H GLU2041 H GLU2041 -11.521 12.082 1.540 229 HA GLU2041 HA GLU2041 -12.381 14.858 1.806 230 HB2 GLU2041 1HB GLU2041 -12.018 12.762 3.781 231 HB3 GLU2041 2HB GLU2041 -10.946 14.126 4.140 232 HG2 GLU2041 1HG GLU2041 -12.728 15.620 4.413 233 HG3 GLU2041 2HG GLU2041 -13.836 14.656 3.422 234 HE2 GLU2041 HE GLU2041 -15.179 13.454 6.323 235 H ARG2042 H ARG2042 -10.349 16.052 3.126 236 HA ARG2042 HA ARG2042 -8.101 15.524 1.358 237 HB2 ARG2042 1HB ARG2042 -9.510 17.918 2.015 238 HB3 ARG2042 2HB ARG2042 -7.904 18.077 2.747 239 HG2 ARG2042 1HG ARG2042 -7.768 18.968 0.515 240 HG3 ARG2042 2HG ARG2042 -6.926 17.407 0.488 241 HD2 ARG2042 1HD ARG2042 -8.298 16.727 -1.168 242 HD3 ARG2042 2HD ARG2042 -9.691 16.897 -0.088 243 HE ARG2042 HE ARG2042 -8.811 19.444 -1.202 244 HH11 ARG2042 2HH2 ARG2042 -10.768 16.566 -1.864 245 HH12 ARG2042 1HH2 ARG2042 -11.788 17.370 -3.011 246 H ASN2043 H ASN2043 -8.619 14.028 3.843 247 HA ASN2043 HA ASN2043 -6.525 15.117 5.546 248 HB2 ASN2043 1HB ASN2043 -8.956 13.395 6.030 249 HB3 ASN2043 2HB ASN2043 -7.570 13.187 7.110 250 HD21 ASN2043 1HD2 ASN2043 -10.114 15.271 5.991 251 HD22 ASN2043 2HD2 ASN2043 -9.996 16.497 7.209 252 H VAL2044 H VAL2044 -4.908 14.180 3.960 253 HA VAL2044 HA VAL2044 -4.832 11.543 3.184 254 HB VAL2044 HB VAL2044 -2.705 13.611 3.698 255 HG11 VAL2044 1HG1 VAL2044 -2.227 10.974 2.286 256 HG12 VAL2044 2HG1 VAL2044 -1.035 12.220 2.723 257 HG13 VAL2044 3HG1 VAL2044 -1.817 11.252 3.994 258 HG21 VAL2044 3HG2 VAL2044 -2.897 14.162 1.495 259 HG22 VAL2044 1HG2 VAL2044 -3.291 12.498 0.997 260 HG23 VAL2044 2HG2 VAL2044 -4.543 13.526 1.737 261 H LYS2045 H LYS2045 -4.402 12.957 6.342 262 HA LYS2045 HA LYS2045 -2.649 11.225 7.539 263 HB2 LYS2045 1HB LYS2045 -3.688 11.848 9.615 264 HB3 LYS2045 2HB LYS2045 -3.609 13.267 8.555 265 HG2 LYS2045 1HG LYS2045 -5.812 13.510 9.026 266 HG3 LYS2045 2HG LYS2045 -6.077 12.164 7.905 267 HD2 LYS2045 1HD LYS2045 -6.842 10.893 9.597 268 HD3 LYS2045 2HD LYS2045 -5.315 11.088 10.474 269 HE2 LYS2045 1HE LYS2045 -6.270 13.413 11.174 270 HE3 LYS2045 2HE LYS2045 -7.836 12.781 10.641 271 HZ1 LYS2045 2HZ LYS2045 -7.895 11.947 12.733 272 HZ3 LYS2045 1HZ LYS2045 -6.292 12.086 12.981 273 H GLY2046 H GLY2046 -6.079 10.749 6.630 274 HA2 GLY2046 2HA GLY2046 -6.663 8.457 8.057 275 HA3 GLY2046 3HA GLY2046 -7.318 8.879 6.487 276 H MET2047 H MET2047 -5.295 8.700 4.689 277 HA MET2047 HA MET2047 -5.020 5.991 4.337 278 HB2 MET2047 1HB MET2047 -4.836 7.460 2.444 279 HB3 MET2047 2HB MET2047 -3.574 8.437 3.214 280 HG2 MET2047 1HG MET2047 -3.035 5.510 2.719 281 HG3 MET2047 2HG MET2047 -2.987 6.609 1.338 282 HE1 MET2047 3HE MET2047 -1.351 9.436 3.278 283 HE2 MET2047 1HE MET2047 -0.437 9.019 1.808 284 HE3 MET2047 2HE MET2047 -2.216 8.955 1.799 285 H PHE2048 H PHE2048 -2.512 8.421 5.361 286 HA PHE2048 HA PHE2048 -0.401 6.727 5.657 287 HB2 PHE2048 1HB PHE2048 -1.447 9.161 7.184 288 HB3 PHE2048 2HB PHE2048 0.115 8.453 7.608 289 HD1 PHE2048 1HD PHE2048 1.107 7.769 4.878 290 HD2 PHE2048 2HD PHE2048 -0.857 11.243 6.323 291 HE1 PHE2048 1HE PHE2048 2.195 9.133 3.075 292 HE2 PHE2048 2HE PHE2048 0.231 12.607 4.520 293 HZ PHE2048 HZ PHE2048 1.744 11.536 2.919 294 H GLU2049 H GLU2049 -3.068 7.402 8.001 295 HA GLU2049 HA GLU2049 -1.888 5.743 9.969 296 HB2 GLU2049 1HB GLU2049 -4.769 6.692 9.837 297 HB3 GLU2049 2HB GLU2049 -3.858 6.234 11.284 298 HG2 GLU2049 1HG GLU2049 -2.544 8.349 9.712 299 HG3 GLU2049 2HG GLU2049 -4.154 8.823 10.270 300 HE2 GLU2049 HE GLU2049 -3.215 8.931 13.591 301 H VAL2050 H VAL2050 -3.686 5.192 7.087 302 HA VAL2050 HA VAL2050 -4.947 2.775 8.047 303 HB VAL2050 HB VAL2050 -4.886 4.318 5.471 304 HG11 VAL2050 1HG1 VAL2050 -6.144 1.577 5.829 305 HG12 VAL2050 2HG1 VAL2050 -6.233 2.611 4.383 306 HG13 VAL2050 3HG1 VAL2050 -4.674 1.916 4.887 307 HG21 VAL2050 3HG2 VAL2050 -7.423 3.369 6.659 308 HG22 VAL2050 1HG2 VAL2050 -6.494 4.508 7.663 309 HG23 VAL2050 2HG2 VAL2050 -6.981 4.967 6.014 310 H LEU2051 H LEU2051 -2.249 3.799 5.874 311 HA LEU2051 HA LEU2051 -1.554 1.081 5.303 312 HB2 LEU2051 1HB LEU2051 0.334 3.311 4.821 313 HB3 LEU2051 2HB LEU2051 -0.098 1.935 3.792 314 HG LEU2051 HG LEU2051 -1.443 4.598 4.114 315 HD11 LEU2051 1HD1 LEU2051 -1.248 4.755 1.780 316 HD12 LEU2051 2HD1 LEU2051 0.286 4.030 2.318 317 HD13 LEU2051 3HD1 LEU2051 -0.974 3.005 1.594 318 HD21 LEU2051 3HD2 LEU2051 -3.226 3.286 2.544 319 HD22 LEU2051 1HD2 LEU2051 -2.803 2.010 3.709 320 HD23 LEU2051 2HD2 LEU2051 -3.434 3.569 4.289 321 H GLU2052 H GLU2052 -0.413 3.713 7.479 322 HA GLU2052 HA GLU2052 1.902 2.803 8.351 323 HB2 GLU2052 1HB GLU2052 -0.305 4.328 9.501 324 HB3 GLU2052 2HB GLU2052 0.587 3.453 10.757 325 HG2 GLU2052 1HG GLU2052 2.028 5.049 8.620 326 HG3 GLU2052 2HG GLU2052 1.400 5.845 10.070 327 HE2 GLU2052 HE GLU2052 4.568 5.064 11.264 328 HA PRO2053 HA PRO2053 -0.159 -0.430 11.139 329 HB2 PRO2053 1HB PRO2053 -2.843 -0.900 10.940 330 HB3 PRO2053 2HB PRO2053 -2.139 0.172 12.149 331 HG2 PRO2053 1HG PRO2053 -3.568 0.814 9.650 332 HG3 PRO2053 2HG PRO2053 -3.287 1.865 11.084 333 HD2 PRO2053 1HD PRO2053 -1.980 1.944 8.537 334 HD3 PRO2053 2HD PRO2053 -1.559 2.892 9.969 335 H LEU2054 H LEU2054 -2.078 -0.368 8.174 336 HA LEU2054 HA LEU2054 -2.167 -3.053 7.724 337 HB2 LEU2054 1HB LEU2054 -2.146 -0.631 5.999 338 HB3 LEU2054 2HB LEU2054 -2.022 -2.220 5.222 339 HG LEU2054 HG LEU2054 -4.195 -2.660 5.531 340 HD11 LEU2054 1HD1 LEU2054 -5.427 -1.963 7.683 341 HD12 LEU2054 2HD1 LEU2054 -4.171 -3.219 7.794 342 HD13 LEU2054 3HD1 LEU2054 -3.810 -1.551 8.305 343 HD21 LEU2054 3HD2 LEU2054 -5.278 -0.855 4.832 344 HD22 LEU2054 1HD2 LEU2054 -5.135 -0.083 6.431 345 HD23 LEU2054 2HD2 LEU2054 -3.835 0.109 5.229 346 H HIS2055 H HIS2055 0.416 -0.755 6.605 347 HA HIS2055 HA HIS2055 2.010 -2.735 5.486 348 HB2 HIS2055 1HB HIS2055 2.597 0.023 6.556 349 HB3 HIS2055 2HB HIS2055 3.839 -0.979 5.795 350 HD1 HIS2055 1HD HIS2055 3.343 1.581 4.381 351 HD2 HIS2055 2HD HIS2055 0.993 -1.817 3.653 352 HE1 HIS2055 1HE HIS2055 2.294 1.917 2.078 353 HE2 HIS2055 2HE HIS2055 0.853 -0.201 1.679 354 H ALA2056 H ALA2056 2.159 -1.148 8.749 355 HA ALA2056 HA ALA2056 4.322 -2.521 9.731 356 HB1 ALA2056 3HB ALA2056 3.482 -0.705 10.983 357 HB2 ALA2056 1HB ALA2056 1.826 -1.358 10.990 358 HB3 ALA2056 2HB ALA2056 3.090 -2.128 11.978 359 H MET2057 H MET2057 0.809 -3.423 9.891 360 HA MET2057 HA MET2057 1.076 -5.719 11.300 361 HB2 MET2057 1HB MET2057 -1.158 -5.659 10.860 362 HB3 MET2057 2HB MET2057 -0.882 -4.423 9.622 363 HG2 MET2057 1HG MET2057 -0.528 -6.151 7.923 364 HG3 MET2057 2HG MET2057 -0.601 -7.428 9.141 365 HE1 MET2057 3HE MET2057 -1.958 -7.460 6.648 366 HE2 MET2057 1HE MET2057 -3.727 -7.584 6.792 367 HE3 MET2057 2HE MET2057 -2.976 -6.030 6.357 368 H MET2058 H MET2058 1.764 -5.126 7.839 369 HA MET2058 HA MET2058 1.959 -7.846 7.167 370 HB2 MET2058 1HB MET2058 3.126 -5.310 5.909 371 HB3 MET2058 2HB MET2058 3.115 -6.889 5.105 372 HG2 MET2058 1HG MET2058 0.464 -6.121 6.132 373 HG3 MET2058 2HG MET2058 1.096 -4.940 4.981 374 HE1 MET2058 3HE MET2058 -1.356 -6.655 4.963 375 HE2 MET2058 1HE MET2058 -1.491 -7.652 3.493 376 HE3 MET2058 2HE MET2058 -0.931 -8.384 5.016 377 H GLU2059 H GLU2059 4.191 -5.432 8.527 378 HA GLU2059 HA GLU2059 6.495 -6.994 7.969 379 HB2 GLU2059 1HB GLU2059 6.352 -4.808 10.051 380 HB3 GLU2059 2HB GLU2059 7.717 -5.255 9.016 381 HG2 GLU2059 1HG GLU2059 5.213 -3.705 8.333 382 HG3 GLU2059 2HG GLU2059 6.902 -3.271 8.017 383 HE2 GLU2059 HE GLU2059 5.089 -4.611 5.031 384 H ARG2060 H ARG2060 4.927 -5.961 11.093 385 HA ARG2060 HA ARG2060 6.325 -7.924 12.522 386 HB2 ARG2060 1HB ARG2060 4.864 -7.237 14.415 387 HB3 ARG2060 2HB ARG2060 5.519 -5.823 13.571 388 HG2 ARG2060 1HG ARG2060 3.357 -5.750 12.241 389 HG3 ARG2060 2HG ARG2060 2.719 -7.009 13.311 390 HD2 ARG2060 1HD ARG2060 3.869 -4.932 14.937 391 HD3 ARG2060 2HD ARG2060 2.812 -4.162 13.743 392 HE ARG2060 HE ARG2060 0.949 -5.241 14.725 393 HH11 ARG2060 2HH2 ARG2060 3.956 -6.469 16.141 394 HH12 ARG2060 1HH2 ARG2060 3.155 -7.292 17.437 395 H GLY2061 H GLY2061 3.324 -7.842 10.692 396 HA2 GLY2061 2HA GLY2061 2.546 -10.467 11.812 397 HA3 GLY2061 3HA GLY2061 1.425 -9.279 11.177 398 HA PRO2062 HA PRO2062 3.786 -11.228 7.532 399 HB2 PRO2062 1HB PRO2062 5.217 -13.508 7.996 400 HB3 PRO2062 2HB PRO2062 5.952 -11.907 7.925 401 HG2 PRO2062 1HG PRO2062 5.316 -13.602 10.254 402 HG3 PRO2062 2HG PRO2062 6.473 -12.226 10.148 403 HD2 PRO2062 1HD PRO2062 3.876 -12.278 11.355 404 HD3 PRO2062 2HD PRO2062 4.907 -10.860 11.134 405 H GLN2063 H GLN2063 3.947 -13.851 6.590 406 HA GLN2063 HA GLN2063 1.353 -14.868 7.424 407 HB2 GLN2063 1HB GLN2063 1.467 -13.463 5.173 408 HB3 GLN2063 2HB GLN2063 2.095 -14.979 4.503 409 HG2 GLN2063 1HG GLN2063 0.103 -16.146 4.970 410 HG3 GLN2063 2HG GLN2063 -0.422 -14.981 6.195 411 HE21 GLN2063 1HE2 GLN2063 -2.281 -15.617 4.510 412 HE22 GLN2063 2HE2 GLN2063 -2.575 -14.418 3.296 413 H THR2064 H THR2064 4.106 -15.582 5.142 414 HA THR2064 HA THR2064 4.773 -17.955 6.606 415 HB THR2064 HB THR2064 4.322 -19.383 4.459 416 HG1 THR2064 1HG THR2064 3.044 -18.307 2.956 417 HG21 THR2064 3HG2 THR2064 1.730 -18.307 5.616 418 HG22 THR2064 1HG2 THR2064 2.151 -19.983 5.189 419 HG23 THR2064 2HG2 THR2064 2.828 -19.244 6.660 420 H LEU2065 H LEU2065 6.277 -19.294 4.714 421 HA LEU2065 HA LEU2065 8.504 -17.550 4.558 422 HB2 LEU2065 1HB LEU2065 8.271 -20.147 4.852 423 HB3 LEU2065 2HB LEU2065 8.375 -20.142 3.082 424 HG LEU2065 HG LEU2065 10.525 -20.514 4.394 425 HD11 LEU2065 1HD1 LEU2065 10.181 -19.661 1.939 426 HD12 LEU2065 2HD1 LEU2065 10.844 -18.142 2.591 427 HD13 LEU2065 3HD1 LEU2065 11.796 -19.644 2.688 428 HD21 LEU2065 3HD2 LEU2065 11.483 -18.918 5.677 429 HD22 LEU2065 1HD2 LEU2065 10.840 -17.578 4.696 430 HD23 LEU2065 2HD2 LEU2065 9.794 -18.395 5.883 431 H LYS2066 H LYS2066 5.840 -18.423 2.416 432 HA LYS2066 HA LYS2066 7.168 -17.574 0.036 433 HB2 LYS2066 1HB LYS2066 5.059 -19.170 0.539 434 HB3 LYS2066 2HB LYS2066 4.203 -17.673 0.138 435 HG2 LYS2066 1HG LYS2066 5.855 -17.584 -1.901 436 HG3 LYS2066 2HG LYS2066 6.104 -19.306 -1.569 437 HD2 LYS2066 1HD LYS2066 3.270 -18.397 -1.629 438 HD3 LYS2066 2HD LYS2066 4.117 -18.313 -3.182 439 HE2 LYS2066 1HE LYS2066 4.890 -20.754 -2.600 440 HE3 LYS2066 2HE LYS2066 3.552 -20.733 -1.441 441 HZ1 LYS2066 2HZ LYS2066 2.103 -20.969 -3.131 442 HZ3 LYS2066 1HZ LYS2066 3.355 -21.268 -4.126 443 H GLU2067 H GLU2067 5.197 -16.088 2.598 444 HA GLU2067 HA GLU2067 4.276 -13.882 1.385 445 HB2 GLU2067 1HB GLU2067 3.758 -14.300 3.677 446 HB3 GLU2067 2HB GLU2067 5.460 -14.237 4.163 447 HG2 GLU2067 1HG GLU2067 4.534 -11.793 2.795 448 HG3 GLU2067 2HG GLU2067 3.644 -12.122 4.287 449 HE2 GLU2067 HE GLU2067 7.638 -11.756 4.631 450 H THR2068 H THR2068 7.630 -14.750 1.996 451 HA THR2068 HA THR2068 8.825 -12.246 2.026 452 HB THR2068 HB THR2068 10.820 -13.591 1.197 453 HG1 THR2068 1HG THR2068 10.312 -15.573 0.295 454 HG21 THR2068 3HG2 THR2068 10.281 -13.745 3.622 455 HG22 THR2068 1HG2 THR2068 9.059 -14.992 3.277 456 HG23 THR2068 2HG2 THR2068 10.784 -15.337 3.005 457 H SER2069 H SER2069 7.936 -14.328 -0.793 458 HA SER2069 HA SER2069 9.031 -12.753 -2.721 459 HB2 SER2069 1HB SER2069 7.932 -15.031 -2.954 460 HB3 SER2069 2HB SER2069 6.364 -14.202 -2.985 461 HG SER2069 HG SER2069 7.541 -12.892 -4.803 462 H PHE2070 H PHE2070 5.837 -12.491 -1.063 463 HA PHE2070 HA PHE2070 4.936 -10.352 -2.691 464 HB2 PHE2070 1HB PHE2070 3.510 -11.968 -1.376 465 HB3 PHE2070 2HB PHE2070 4.198 -11.347 0.130 466 HD1 PHE2070 2HD PHE2070 3.780 -8.874 0.663 467 HD2 PHE2070 1HD PHE2070 1.603 -11.006 -2.291 468 HE1 PHE2070 2HE PHE2070 1.952 -7.156 0.771 469 HE2 PHE2070 1HE PHE2070 -0.225 -9.290 -2.183 470 HZ PHE2070 HZ PHE2070 -0.030 -7.387 -0.654 471 H ASN2071 H ASN2071 6.165 -10.553 0.728 472 HA ASN2071 HA ASN2071 6.030 -7.862 1.220 473 HB2 ASN2071 1HB ASN2071 6.471 -9.701 2.901 474 HB3 ASN2071 2HB ASN2071 8.129 -9.823 2.287 475 HD21 ASN2071 1HD2 ASN2071 5.742 -7.647 3.728 476 HD22 ASN2071 2HD2 ASN2071 6.850 -6.604 4.554 477 H GLN2072 H GLN2072 8.416 -9.885 -0.503 478 HA GLN2072 HA GLN2072 10.394 -7.834 -0.527 479 HB2 GLN2072 1HB GLN2072 10.139 -10.555 -1.833 480 HB3 GLN2072 2HB GLN2072 11.500 -9.480 -2.197 481 HG2 GLN2072 1HG GLN2072 11.310 -9.468 0.609 482 HG3 GLN2072 2HG GLN2072 11.006 -11.155 0.164 483 HE21 GLN2072 1HE2 GLN2072 13.298 -8.835 0.816 484 HE22 GLN2072 2HE2 GLN2072 14.712 -9.584 0.151 485 H ALA2073 H ALA2073 8.189 -9.402 -2.949 486 HA ALA2073 HA ALA2073 8.877 -8.103 -5.203 487 HB1 ALA2073 3HB ALA2073 6.176 -8.888 -4.073 488 HB2 ALA2073 1HB ALA2073 6.350 -8.217 -5.714 489 HB3 ALA2073 2HB ALA2073 7.164 -9.741 -5.284 490 H TYR2074 H TYR2074 6.877 -6.813 -2.487 491 HA TYR2074 HA TYR2074 6.897 -4.205 -3.826 492 HB2 TYR2074 1HB TYR2074 5.445 -5.306 -1.347 493 HB3 TYR2074 2HB TYR2074 5.071 -3.774 -2.143 494 HD1 TYR2074 1HD TYR2074 5.051 -4.575 -4.995 495 HD2 TYR2074 2HD TYR2074 3.514 -6.595 -1.552 496 HE1 TYR2074 1HE TYR2074 3.345 -5.771 -6.450 497 HE2 TYR2074 2HE TYR2074 1.812 -7.786 -3.019 498 HH TYR2074 HH TYR2074 1.514 -8.413 -5.278 499 H GLY2075 H GLY2075 8.441 -6.048 -1.331 500 HA2 GLY2075 2HA GLY2075 8.928 -4.456 0.762 501 HA3 GLY2075 3HA GLY2075 10.171 -5.430 0.002 502 H ARG2076 H ARG2076 10.727 -4.231 -2.397 503 HA ARG2076 HA ARG2076 12.158 -1.984 -1.544 504 HB2 ARG2076 1HB ARG2076 12.737 -1.797 -4.017 505 HB3 ARG2076 2HB ARG2076 13.077 -3.384 -3.305 506 HG2 ARG2076 1HG ARG2076 11.867 -4.242 -5.010 507 HG3 ARG2076 2HG ARG2076 10.430 -3.620 -4.179 508 HD2 ARG2076 1HD ARG2076 10.631 -1.494 -5.443 509 HD3 ARG2076 2HD ARG2076 12.077 -2.103 -6.262 510 HE ARG2076 HE ARG2076 9.632 -3.754 -6.502 511 HH11 ARG2076 2HH2 ARG2076 11.736 -1.325 -7.992 512 HH12 ARG2076 1HH2 ARG2076 11.131 -1.602 -9.593 513 H ASP2077 H ASP2077 9.139 -2.516 -3.426 514 HA ASP2077 HA ASP2077 8.851 0.044 -4.388 515 HB2 ASP2077 1HB ASP2077 6.958 -2.203 -3.694 516 HB3 ASP2077 2HB ASP2077 6.284 -0.640 -4.177 517 HD2 ASP2077 HD ASP2077 6.729 -2.940 -7.030 518 H LEU2078 H LEU2078 7.216 -1.553 -1.538 519 HA LEU2078 HA LEU2078 6.001 0.688 -0.520 520 HB2 LEU2078 1HB LEU2078 7.057 -1.799 0.802 521 HB3 LEU2078 2HB LEU2078 6.101 -0.579 1.663 522 HG LEU2078 HG LEU2078 5.269 -2.463 -0.536 523 HD11 LEU2078 1HD1 LEU2078 5.032 -2.499 2.247 524 HD12 LEU2078 2HD1 LEU2078 3.415 -2.047 1.654 525 HD13 LEU2078 3HD1 LEU2078 4.189 -3.543 1.078 526 HD21 LEU2078 3HD2 LEU2078 4.469 -0.335 -1.311 527 HD22 LEU2078 1HD2 LEU2078 3.098 -1.250 -0.640 528 HD23 LEU2078 2HD2 LEU2078 3.832 0.068 0.302 529 H MET2079 H MET2079 9.374 -0.472 -0.167 530 HA MET2079 HA MET2079 10.111 1.188 1.892 531 HB2 MET2079 1HB MET2079 11.386 -0.390 -0.270 532 HB3 MET2079 2HB MET2079 12.379 0.985 0.244 533 HG2 MET2079 1HG MET2079 11.187 -1.108 2.120 534 HG3 MET2079 2HG MET2079 12.850 -1.134 1.532 535 HE1 MET2079 3HE MET2079 14.285 0.719 1.545 536 HE2 MET2079 1HE MET2079 14.272 2.130 2.630 537 HE3 MET2079 2HE MET2079 14.853 0.557 3.225 538 H GLU2080 H GLU2080 10.200 1.737 -1.688 539 HA GLU2080 HA GLU2080 11.393 4.233 -1.525 540 HB2 GLU2080 1HB GLU2080 11.285 2.891 -3.585 541 HB3 GLU2080 2HB GLU2080 9.527 3.107 -3.659 542 HG2 GLU2080 1HG GLU2080 9.738 5.446 -4.091 543 HG3 GLU2080 2HG GLU2080 11.439 5.473 -3.602 544 HE2 GLU2080 HE GLU2080 11.147 5.410 -7.258 545 H ALA2081 H ALA2081 7.900 3.359 -2.076 546 HA ALA2081 HA ALA2081 6.896 5.918 -1.983 547 HB1 ALA2081 3HB ALA2081 5.840 3.548 -2.495 548 HB2 ALA2081 1HB ALA2081 5.385 3.608 -0.776 549 HB3 ALA2081 2HB ALA2081 4.819 4.875 -1.891 550 H GLN2082 H GLN2082 7.675 3.624 0.685 551 HA GLN2082 HA GLN2082 6.507 5.022 2.721 552 HB2 GLN2082 1HB GLN2082 7.374 2.783 3.024 553 HB3 GLN2082 2HB GLN2082 9.033 3.319 2.701 554 HG2 GLN2082 1HG GLN2082 8.138 4.994 4.773 555 HG3 GLN2082 2HG GLN2082 7.483 3.406 5.195 556 HE21 GLN2082 1HE2 GLN2082 8.735 2.243 6.419 557 HE22 GLN2082 2HE2 GLN2082 10.467 2.240 6.464 558 H GLU2083 H GLU2083 9.770 5.398 1.223 559 HA GLU2083 HA GLU2083 10.676 7.283 3.055 560 HB2 GLU2083 1HB GLU2083 12.551 6.905 1.892 561 HB3 GLU2083 2HB GLU2083 11.631 5.989 0.687 562 HG2 GLU2083 1HG GLU2083 11.176 8.035 -0.574 563 HG3 GLU2083 2HG GLU2083 11.939 9.028 0.678 564 HE2 GLU2083 HE GLU2083 15.174 7.961 -0.232 565 H TRP2084 H TRP2084 8.735 7.513 0.057 566 HA TRP2084 HA TRP2084 8.947 10.332 -0.168 567 HB2 TRP2084 1HB TRP2084 7.019 8.321 -1.323 568 HB3 TRP2084 2HB TRP2084 7.002 10.041 -1.720 569 HD1 TRP2084 HD TRP2084 8.692 6.825 -2.696 570 HE1 TRP2084 1HE TRP2084 10.558 7.176 -4.530 571 HE3 TRP2084 3HE TRP2084 8.829 11.895 -2.340 572 HZ2 TRP2084 2HZ TRP2084 11.852 9.482 -5.600 573 HZ3 TRP2084 3HZ TRP2084 10.422 13.120 -3.814 574 HH2 TRP2084 HH TRP2084 11.900 11.994 -5.405 575 H CYS2085 H CYS2085 6.890 8.004 1.587 576 HA CYS2085 HA CYS2085 4.783 9.708 2.179 577 HB2 CYS2085 1HB CYS2085 4.449 7.417 2.552 578 HB3 CYS2085 2HB CYS2085 5.898 7.263 3.562 579 HG CYS2085 HG CYS2085 3.319 7.185 4.714 580 H ARG2086 H ARG2086 7.863 8.931 3.941 581 HA ARG2086 HA ARG2086 7.356 10.589 6.087 582 HB2 ARG2086 1HB ARG2086 9.815 9.366 4.844 583 HB3 ARG2086 2HB ARG2086 10.043 10.581 6.113 584 HG2 ARG2086 1HG ARG2086 9.839 8.815 7.528 585 HG3 ARG2086 2HG ARG2086 8.098 8.971 7.232 586 HD2 ARG2086 1HD ARG2086 8.115 7.222 5.614 587 HD3 ARG2086 2HD ARG2086 9.875 7.282 5.427 588 HE ARG2086 HE ARG2086 8.420 5.738 7.363 589 HH11 ARG2086 2HH2 ARG2086 11.354 7.705 7.090 590 HH12 ARG2086 1HH2 ARG2086 12.185 6.864 8.356 591 H LYS2087 H LYS2087 9.028 11.141 2.933 592 HA LYS2087 HA LYS2087 10.112 13.607 3.392 593 HB2 LYS2087 1HB LYS2087 9.092 12.148 1.005 594 HB3 LYS2087 2HB LYS2087 9.468 13.871 0.819 595 HG2 LYS2087 1HG LYS2087 11.738 13.466 1.714 596 HG3 LYS2087 2HG LYS2087 11.365 11.747 1.932 597 HD2 LYS2087 1HD LYS2087 10.693 12.122 -0.708 598 HD3 LYS2087 2HD LYS2087 12.033 13.270 -0.540 599 HE2 LYS2087 1HE LYS2087 12.789 10.854 0.801 600 HE3 LYS2087 2HE LYS2087 12.124 10.385 -0.772 601 HZ1 LYS2087 2HZ LYS2087 14.189 12.493 -0.443 602 HZ3 LYS2087 1HZ LYS2087 13.701 11.819 -1.845 603 H TYR2088 H TYR2088 6.738 12.801 2.352 604 HA TYR2088 HA TYR2088 5.924 15.510 2.273 605 HB2 TYR2088 1HB TYR2088 4.758 13.740 1.043 606 HB3 TYR2088 2HB TYR2088 4.614 12.740 2.494 607 HD1 TYR2088 2HD TYR2088 3.055 13.548 4.356 608 HD2 TYR2088 1HD TYR2088 3.056 15.238 0.426 609 HE1 TYR2088 2HE TYR2088 0.736 14.508 4.762 610 HE2 TYR2088 1HE TYR2088 0.736 16.193 0.843 611 HH TYR2088 HH TYR2088 -0.516 16.794 3.474 612 H MET2089 H MET2089 5.380 12.829 4.665 613 HA MET2089 HA MET2089 3.843 14.139 6.427 614 HB2 MET2089 1HB MET2089 6.097 12.125 6.733 615 HB3 MET2089 2HB MET2089 5.237 12.693 8.175 616 HG2 MET2089 1HG MET2089 3.292 12.010 6.157 617 HG3 MET2089 2HG MET2089 4.436 10.670 6.286 618 HE1 MET2089 3HE MET2089 1.506 12.132 7.129 619 HE2 MET2089 1HE MET2089 1.046 10.481 7.611 620 HE3 MET2089 2HE MET2089 1.044 11.793 8.814 621 H LYS2090 H LYS2090 7.234 14.752 5.700 622 HA LYS2090 HA LYS2090 8.008 15.966 8.079 623 HB2 LYS2090 1HB LYS2090 9.242 15.286 5.800 624 HB3 LYS2090 2HB LYS2090 9.083 17.028 5.518 625 HG2 LYS2090 1HG LYS2090 10.123 15.930 8.146 626 HG3 LYS2090 2HG LYS2090 11.209 16.157 6.762 627 HD2 LYS2090 1HD LYS2090 11.093 18.456 6.887 628 HD3 LYS2090 2HD LYS2090 9.427 18.460 7.491 629 HE2 LYS2090 1HE LYS2090 10.128 18.536 9.642 630 HE3 LYS2090 2HE LYS2090 11.270 17.206 9.401 631 HZ1 LYS2090 2HZ LYS2090 12.519 19.160 9.922 632 HZ3 LYS2090 1HZ LYS2090 11.734 20.082 8.832 633 H SER2091 H SER2091 6.261 17.220 5.193 634 HA SER2091 HA SER2091 5.361 19.392 6.853 635 HB2 SER2091 1HB SER2091 7.507 19.843 5.186 636 HB3 SER2091 2HB SER2091 6.149 20.311 4.144 637 HG SER2091 HG SER2091 6.025 22.123 5.259 638 H GLY2092 H GLY2092 5.379 17.812 3.594 639 HA2 GLY2092 2HA GLY2092 3.122 16.815 3.105 640 HA3 GLY2092 3HA GLY2092 2.498 18.432 3.359 641 H ASN2093 H ASN2093 4.483 16.353 1.250 642 HA ASN2093 HA ASN2093 4.510 18.520 -0.693 643 HB2 ASN2093 1HB ASN2093 6.439 16.460 0.091 644 HB3 ASN2093 2HB ASN2093 6.122 16.381 -1.649 645 HD21 ASN2093 1HD2 ASN2093 8.185 17.544 0.497 646 HD22 ASN2093 2HD2 ASN2093 8.691 19.032 -0.229 647 H VAL2094 H VAL2094 2.479 18.201 -1.739 648 HA VAL2094 HA VAL2094 1.149 15.872 -2.140 649 HB VAL2094 HB VAL2094 1.335 18.452 -3.649 650 HG11 VAL2094 1HG1 VAL2094 -0.617 17.693 -5.038 651 HG12 VAL2094 2HG1 VAL2094 0.924 16.896 -5.433 652 HG13 VAL2094 3HG1 VAL2094 -0.302 16.034 -4.473 653 HG21 VAL2094 3HG2 VAL2094 0.140 18.454 -1.532 654 HG22 VAL2094 1HG2 VAL2094 -1.011 18.664 -2.874 655 HG23 VAL2094 2HG2 VAL2094 -0.866 17.085 -2.064 656 H LYS2095 H LYS2095 3.780 17.295 -4.165 657 HA LYS2095 HA LYS2095 3.681 15.495 -6.243 658 HB2 LYS2095 1HB LYS2095 6.125 16.059 -6.495 659 HB3 LYS2095 2HB LYS2095 5.011 17.437 -6.461 660 HG2 LYS2095 1HG LYS2095 6.337 18.282 -4.839 661 HG3 LYS2095 2HG LYS2095 5.657 17.049 -3.764 662 HD2 LYS2095 1HD LYS2095 7.506 15.631 -4.019 663 HD3 LYS2095 2HD LYS2095 7.988 16.351 -5.564 664 HE2 LYS2095 1HE LYS2095 8.235 18.517 -3.930 665 HE3 LYS2095 2HE LYS2095 8.580 17.230 -2.765 666 HZ1 LYS2095 2HZ LYS2095 10.057 17.931 -5.213 667 HZ3 LYS2095 1HZ LYS2095 10.149 16.406 -4.651 668 H ASP2096 H ASP2096 5.402 15.261 -3.073 669 HA ASP2096 HA ASP2096 6.565 12.799 -3.675 670 HB2 ASP2096 1HB ASP2096 5.932 14.273 -1.102 671 HB3 ASP2096 2HB ASP2096 6.693 12.675 -1.065 672 HD2 ASP2096 HD ASP2096 9.167 15.401 -0.973 673 H LEU2097 H LEU2097 3.649 13.818 -1.750 674 HA LEU2097 HA LEU2097 2.840 11.322 -0.909 675 HB2 LEU2097 1HB LEU2097 1.887 13.204 0.064 676 HB3 LEU2097 2HB LEU2097 1.376 13.882 -1.492 677 HG LEU2097 HG LEU2097 -0.327 12.140 -1.698 678 HD11 LEU2097 1HD1 LEU2097 1.237 10.704 0.089 679 HD12 LEU2097 2HD1 LEU2097 -0.213 11.129 1.031 680 HD13 LEU2097 3HD1 LEU2097 -0.378 10.258 -0.512 681 HD21 LEU2097 3HD2 LEU2097 -0.268 14.203 0.311 682 HD22 LEU2097 1HD2 LEU2097 -1.618 13.645 -0.706 683 HD23 LEU2097 2HD2 LEU2097 -1.288 12.848 0.852 684 H THR2098 H THR2098 2.164 13.068 -3.995 685 HA THR2098 HA THR2098 0.380 11.175 -5.027 686 HB THR2098 HB THR2098 2.261 13.256 -6.240 687 HG1 THR2098 1HG THR2098 0.295 13.750 -4.878 688 HG21 THR2098 3HG2 THR2098 1.010 11.111 -7.653 689 HG22 THR2098 1HG2 THR2098 -0.041 12.529 -7.883 690 HG23 THR2098 2HG2 THR2098 1.677 12.607 -8.351 691 H GLN2099 H GLN2099 3.970 11.460 -5.351 692 HA GLN2099 HA GLN2099 4.253 9.345 -7.078 693 HB2 GLN2099 1HB GLN2099 5.933 11.050 -5.477 694 HB3 GLN2099 2HB GLN2099 6.522 9.385 -5.336 695 HG2 GLN2099 1HG GLN2099 5.765 10.215 -8.083 696 HG3 GLN2099 2HG GLN2099 7.134 11.109 -7.404 697 HE21 GLN2099 1HE2 GLN2099 7.592 9.616 -9.553 698 HE22 GLN2099 2HE2 GLN2099 8.478 8.177 -9.186 699 H ALA2100 H ALA2100 4.019 9.446 -3.491 700 HA ALA2100 HA ALA2100 4.679 6.729 -3.106 701 HB1 ALA2100 3HB ALA2100 3.785 9.048 -1.547 702 HB2 ALA2100 1HB ALA2100 3.083 7.519 -0.965 703 HB3 ALA2100 2HB ALA2100 4.848 7.701 -1.077 704 H TRP2101 H TRP2101 1.706 8.505 -3.933 705 HA TRP2101 HA TRP2101 -0.045 6.352 -3.328 706 HB2 TRP2101 1HB TRP2101 -0.217 9.073 -4.249 707 HB3 TRP2101 2HB TRP2101 -1.240 8.031 -5.238 708 HD1 TRP2101 HD TRP2101 -1.458 9.996 -2.165 709 HE1 TRP2101 1HE TRP2101 -3.457 9.315 -0.582 710 HE3 TRP2101 3HE TRP2101 -2.410 5.535 -4.413 711 HZ2 TRP2101 2HZ TRP2101 -5.173 7.038 -0.449 712 HZ3 TRP2101 3HZ TRP2101 -4.265 4.143 -3.495 713 HH2 TRP2101 HH TRP2101 -5.624 4.832 -1.583 714 H ASP2102 H ASP2102 2.007 7.364 -6.045 715 HA ASP2102 HA ASP2102 0.706 5.824 -7.983 716 HB2 ASP2102 1HB ASP2102 2.669 7.719 -7.994 717 HB3 ASP2102 2HB ASP2102 3.658 6.266 -8.213 718 HD2 ASP2102 HD ASP2102 2.994 7.288 -11.516 719 H LEU2103 H LEU2103 3.704 5.375 -5.964 720 HA LEU2103 HA LEU2103 4.420 2.884 -6.927 721 HB2 LEU2103 1HB LEU2103 4.794 3.969 -4.141 722 HB3 LEU2103 2HB LEU2103 5.741 2.688 -4.916 723 HG LEU2103 HG LEU2103 5.652 5.365 -6.235 724 HD11 LEU2103 1HD1 LEU2103 6.048 5.481 -3.599 725 HD12 LEU2103 2HD1 LEU2103 7.697 5.036 -4.098 726 HD13 LEU2103 3HD1 LEU2103 6.938 6.507 -4.751 727 HD21 LEU2103 3HD2 LEU2103 7.301 2.951 -6.264 728 HD22 LEU2103 1HD2 LEU2103 7.099 4.225 -7.491 729 HD23 LEU2103 2HD2 LEU2103 8.255 4.450 -6.156 730 H TYR2104 H TYR2104 2.315 3.761 -4.107 731 HA TYR2104 HA TYR2104 1.765 1.214 -3.239 732 HB2 TYR2104 1HB TYR2104 0.160 3.819 -3.491 733 HB3 TYR2104 2HB TYR2104 -0.466 2.444 -2.574 734 HD1 TYR2104 2HD TYR2104 2.308 1.613 -1.442 735 HD2 TYR2104 1HD TYR2104 0.243 5.355 -1.649 736 HE1 TYR2104 2HE TYR2104 3.569 2.430 0.610 737 HE2 TYR2104 1HE TYR2104 1.510 6.159 0.403 738 HH TYR2104 HH TYR2104 3.546 5.708 1.550 739 H TYR2105 H TYR2105 -0.180 3.206 -5.585 740 HA TYR2105 HA TYR2105 -2.123 1.381 -6.142 741 HB2 TYR2105 1HB TYR2105 -1.339 3.857 -6.983 742 HB3 TYR2105 2HB TYR2105 -0.740 2.932 -8.363 743 HD1 TYR2105 1HD TYR2105 -3.018 0.837 -8.321 744 HD2 TYR2105 2HD TYR2105 -3.006 5.113 -8.149 745 HE1 TYR2105 1HE TYR2105 -5.344 0.893 -9.343 746 HE2 TYR2105 2HE TYR2105 -5.332 5.152 -9.171 747 HH TYR2105 HH TYR2105 -6.769 2.302 -10.495 748 H HIS2106 H HIS2106 1.232 1.530 -7.432 749 HA HIS2106 HA HIS2106 0.878 -0.345 -9.451 750 HB2 HIS2106 1HB HIS2106 2.924 1.245 -8.478 751 HB3 HIS2106 2HB HIS2106 3.516 -0.394 -8.191 752 HD1 HIS2106 1HD HIS2106 4.408 1.862 -10.439 753 HD2 HIS2106 2HD HIS2106 2.308 -1.720 -11.025 754 HE1 HIS2106 1HE HIS2106 4.767 1.216 -12.882 755 HE2 HIS2106 2HE HIS2106 3.451 -0.996 -13.192 756 H VAL2107 H VAL2107 1.976 -0.722 -6.016 757 HA VAL2107 HA VAL2107 2.185 -3.541 -6.238 758 HB VAL2107 HB VAL2107 2.960 -3.457 -4.113 759 HG11 VAL2107 1HG1 VAL2107 3.165 -0.477 -4.433 760 HG12 VAL2107 2HG1 VAL2107 4.392 -1.654 -3.908 761 HG13 VAL2107 3HG1 VAL2107 3.945 -1.542 -5.627 762 HG21 VAL2107 3HG2 VAL2107 0.758 -2.850 -3.133 763 HG22 VAL2107 1HG2 VAL2107 2.124 -2.059 -2.312 764 HG23 VAL2107 2HG2 VAL2107 1.116 -1.137 -3.452 765 H PHE2108 H PHE2108 -0.269 -1.271 -4.835 766 HA PHE2108 HA PHE2108 -1.996 -3.239 -3.918 767 HB2 PHE2108 1HB PHE2108 -2.059 -0.341 -4.777 768 HB3 PHE2108 2HB PHE2108 -3.628 -1.128 -4.582 769 HD1 PHE2108 1HD PHE2108 -0.598 0.020 -2.865 770 HD2 PHE2108 2HD PHE2108 -4.426 -1.748 -2.390 771 HE1 PHE2108 1HE PHE2108 -0.488 0.447 -0.395 772 HE2 PHE2108 2HE PHE2108 -4.316 -1.321 0.082 773 HZ PHE2108 HZ PHE2108 -2.348 -0.229 1.050 774 H ARG2109 H ARG2109 -1.454 -1.899 -7.171 775 HA ARG2109 HA ARG2109 -3.896 -2.925 -8.171 776 HB2 ARG2109 1HB ARG2109 -2.869 -0.970 -9.219 777 HB3 ARG2109 2HB ARG2109 -1.380 -1.870 -9.557 778 HG2 ARG2109 1HG ARG2109 -2.262 -2.412 -11.557 779 HG3 ARG2109 2HG ARG2109 -3.459 -3.408 -10.711 780 HD2 ARG2109 1HD ARG2109 -5.010 -1.533 -10.598 781 HD3 ARG2109 2HD ARG2109 -3.796 -0.417 -11.240 782 HE ARG2109 HE ARG2109 -5.467 -2.247 -12.759 783 HH11 ARG2109 2HH2 ARG2109 -2.302 -0.653 -12.758 784 HH12 ARG2109 1HH2 ARG2109 -2.124 -0.728 -14.478 785 H ARG2110 H ARG2110 -0.477 -3.966 -7.953 786 HA ARG2110 HA ARG2110 -0.636 -6.018 -9.804 787 HB2 ARG2110 1HB ARG2110 1.382 -4.906 -8.430 788 HB3 ARG2110 2HB ARG2110 1.126 -6.300 -7.366 789 HG2 ARG2110 1HG ARG2110 1.411 -6.605 -10.371 790 HG3 ARG2110 2HG ARG2110 2.832 -6.554 -9.313 791 HD2 ARG2110 1HD ARG2110 1.216 -8.387 -8.022 792 HD3 ARG2110 2HD ARG2110 0.832 -8.714 -9.718 793 HE ARG2110 HE ARG2110 3.636 -8.512 -9.571 794 HH11 ARG2110 2HH2 ARG2110 1.134 -10.592 -8.169 795 HH12 ARG2110 1HH2 ARG2110 2.180 -11.965 -8.027 796 H ILE2111 H ILE2111 -0.996 -5.978 -6.187 797 HA ILE2111 HA ILE2111 -1.348 -8.639 -5.734 798 HB ILE2111 HB ILE2111 -2.845 -7.842 -3.833 799 HG12 ILE2111 1HG1 ILE2111 -2.020 -5.124 -4.876 800 HG13 ILE2111 2HG1 ILE2111 -3.657 -5.795 -4.977 801 HG21 ILE2111 1HG2 ILE2111 -0.212 -8.089 -4.008 802 HG22 ILE2111 2HG2 ILE2111 -0.274 -6.325 -3.771 803 HG23 ILE2111 3HG2 ILE2111 -1.000 -7.412 -2.563 804 HD11 ILE2111 3HD1 ILE2111 -2.147 -4.740 -2.616 805 HD12 ILE2111 1HD1 ILE2111 -3.885 -4.647 -2.989 806 HD13 ILE2111 2HD1 ILE2111 -3.195 -6.147 -2.324 807 H SER2112 H SER2112 -3.628 -6.283 -7.158 808 HA SER2112 HA SER2112 -5.772 -8.154 -7.066 809 HB2 SER2112 1HB SER2112 -6.719 -6.310 -8.745 810 HB3 SER2112 2HB SER2112 -6.619 -6.001 -7.001 811 HG SER2112 HG SER2112 -5.225 -4.836 -9.136 812 H LYS2113 H LYS2113 -3.469 -6.832 -9.516 813 HA LYS2113 HA LYS2113 -4.511 -7.884 -11.796 814 HB2 LYS2113 1HB LYS2113 -2.125 -6.679 -10.976 815 HB3 LYS2113 2HB LYS2113 -1.628 -8.190 -11.756 816 HG2 LYS2113 1HG LYS2113 -1.831 -6.988 -13.676 817 HG3 LYS2113 2HG LYS2113 -3.568 -7.299 -13.498 818 HD2 LYS2113 1HD LYS2113 -3.487 -5.131 -11.981 819 HD3 LYS2113 2HD LYS2113 -1.987 -4.798 -12.864 820 HE2 LYS2113 1HE LYS2113 -3.282 -3.905 -14.488 821 HE3 LYS2113 2HE LYS2113 -3.818 -5.550 -14.866 822 HZ1 LYS2113 2HZ LYS2113 -5.180 -4.285 -12.637 823 HZ3 LYS2113 1HZ LYS2113 -5.805 -5.166 -13.856 824 H GLN2114 H GLN2114 -4.783 -9.879 -12.702 825 HA GLN2114 HA GLN2114 -3.184 -12.054 -11.929 826 HB2 GLN2114 1HB GLN2114 -5.596 -11.568 -10.387 827 HB3 GLN2114 2HB GLN2114 -5.723 -13.117 -11.241 828 HG2 GLN2114 1HG GLN2114 -3.125 -12.503 -9.878 829 HG3 GLN2114 2HG GLN2114 -4.506 -12.858 -8.832 830 HE21 GLN2114 1HE2 GLN2114 -1.959 -14.118 -10.524 831 HE22 GLN2114 2HE2 GLN2114 -2.440 -15.776 -10.657 Start of MODEL 7 1 H MET2014 H MET2014 -11.835 -11.014 7.848 2 HA MET2014 HA MET2014 -13.642 -11.261 6.664 3 HB2 MET2014 1HB MET2014 -14.741 -10.597 9.404 4 HB3 MET2014 2HB MET2014 -15.890 -10.750 8.064 5 HG2 MET2014 1HG MET2014 -15.832 -12.992 8.371 6 HG3 MET2014 2HG MET2014 -14.148 -12.983 7.837 7 HE1 MET2014 3HE MET2014 -15.970 -12.903 11.947 8 HE2 MET2014 1HE MET2014 -16.712 -12.924 10.330 9 HE3 MET2014 2HE MET2014 -16.069 -14.426 11.033 10 H GLU2015 H GLU2015 -13.693 -9.805 4.983 11 HA GLU2015 HA GLU2015 -14.828 -7.195 5.628 12 HB2 GLU2015 1HB GLU2015 -12.596 -8.021 3.790 13 HB3 GLU2015 2HB GLU2015 -13.554 -6.591 3.369 14 HG2 GLU2015 1HG GLU2015 -11.681 -5.818 4.654 15 HG3 GLU2015 2HG GLU2015 -13.083 -5.731 5.732 16 HE2 GLU2015 HE GLU2015 -11.060 -7.411 7.959 17 H LEU2016 H LEU2016 -15.224 -10.182 3.987 18 HA LEU2016 HA LEU2016 -16.926 -10.924 2.765 19 HB2 LEU2016 1HB LEU2016 -17.929 -8.496 3.747 20 HB3 LEU2016 2HB LEU2016 -18.320 -8.527 2.020 21 HG LEU2016 HG LEU2016 -20.149 -9.411 3.351 22 HD11 LEU2016 1HD1 LEU2016 -20.552 -11.449 2.160 23 HD12 LEU2016 2HD1 LEU2016 -19.659 -10.345 1.085 24 HD13 LEU2016 3HD1 LEU2016 -18.811 -11.695 1.878 25 HD21 LEU2016 3HD2 LEU2016 -19.210 -10.205 5.332 26 HD22 LEU2016 1HD2 LEU2016 -19.756 -11.683 4.502 27 HD23 LEU2016 2HD2 LEU2016 -18.033 -11.235 4.479 28 H ILE2017 H ILE2017 -17.826 -10.678 0.399 29 HA ILE2017 HA ILE2017 -17.385 -10.521 -1.758 30 HB ILE2017 HB ILE2017 -16.066 -8.028 -0.762 31 HG12 ILE2017 1HG1 ILE2017 -17.970 -7.579 -2.797 32 HG13 ILE2017 2HG1 ILE2017 -18.663 -8.804 -1.720 33 HG21 ILE2017 1HG2 ILE2017 -16.148 -7.803 -3.547 34 HG22 ILE2017 2HG2 ILE2017 -14.705 -7.907 -2.511 35 HG23 ILE2017 3HG2 ILE2017 -15.392 -9.383 -3.230 36 HD11 ILE2017 3HD1 ILE2017 -18.045 -7.296 0.232 37 HD12 ILE2017 1HD1 ILE2017 -17.589 -6.054 -0.958 38 HD13 ILE2017 2HD1 ILE2017 -19.274 -6.618 -0.862 39 H ARG2018 H ARG2018 -14.179 -9.129 -1.106 40 HA ARG2018 HA ARG2018 -12.903 -11.082 -2.540 41 HB2 ARG2018 1HB ARG2018 -12.202 -8.747 -0.968 42 HB3 ARG2018 2HB ARG2018 -11.032 -10.036 -0.636 43 HG2 ARG2018 1HG ARG2018 -11.576 -9.970 -3.466 44 HG3 ARG2018 2HG ARG2018 -11.193 -8.322 -2.932 45 HD2 ARG2018 1HD ARG2018 -9.016 -8.928 -3.040 46 HD3 ARG2018 2HD ARG2018 -9.301 -9.940 -1.614 47 HE ARG2018 HE ARG2018 -8.994 -11.771 -3.015 48 HH11 ARG2018 2HH2 ARG2018 -10.300 -9.119 -4.966 49 HH12 ARG2018 1HH2 ARG2018 -10.291 -10.032 -6.439 50 H VAL2019 H VAL2019 -10.654 -11.912 -0.968 51 HA VAL2019 HA VAL2019 -11.912 -14.033 0.535 52 HB VAL2019 HB VAL2019 -9.060 -13.444 -0.274 53 HG11 VAL2019 1HG1 VAL2019 -9.430 -14.766 1.928 54 HG12 VAL2019 2HG1 VAL2019 -9.994 -16.077 0.862 55 HG13 VAL2019 3HG1 VAL2019 -8.339 -15.443 0.694 56 HG21 VAL2019 3HG2 VAL2019 -11.241 -14.507 -1.712 57 HG22 VAL2019 1HG2 VAL2019 -9.525 -14.498 -2.185 58 HG23 VAL2019 2HG2 VAL2019 -10.198 -15.892 -1.307 59 HA PRO2020 HA PRO2020 -11.218 -12.161 4.374 60 HB2 PRO2020 1HB PRO2020 -11.485 -14.332 6.011 61 HB3 PRO2020 2HB PRO2020 -12.859 -13.438 5.365 62 HG2 PRO2020 1HG PRO2020 -11.742 -16.044 4.553 63 HG3 PRO2020 2HG PRO2020 -13.385 -15.377 4.235 64 HD2 PRO2020 1HD PRO2020 -11.178 -15.613 2.424 65 HD3 PRO2020 2HD PRO2020 -12.719 -14.805 2.110 66 H ILE2021 H ILE2021 -9.671 -15.342 4.504 67 HA ILE2021 HA ILE2021 -7.477 -14.175 5.934 68 HB ILE2021 HB ILE2021 -6.591 -16.559 5.686 69 HG12 ILE2021 1HG1 ILE2021 -8.458 -16.815 3.752 70 HG13 ILE2021 2HG1 ILE2021 -7.764 -18.176 4.649 71 HG21 ILE2021 1HG2 ILE2021 -9.078 -15.764 7.186 72 HG22 ILE2021 2HG2 ILE2021 -8.378 -17.393 7.353 73 HG23 ILE2021 3HG2 ILE2021 -7.413 -15.960 7.781 74 HD11 ILE2021 3HD1 ILE2021 -10.173 -16.734 5.767 75 HD12 ILE2021 1HD1 ILE2021 -10.392 -17.902 4.443 76 HD13 ILE2021 2HD1 ILE2021 -9.675 -18.428 5.984 77 H LEU2022 H LEU2022 -7.433 -12.613 3.846 78 HA LEU2022 HA LEU2022 -5.195 -13.641 2.281 79 HB2 LEU2022 1HB LEU2022 -7.764 -13.487 1.265 80 HB3 LEU2022 2HB LEU2022 -6.978 -12.014 0.671 81 HG LEU2022 HG LEU2022 -5.152 -13.436 -0.256 82 HD11 LEU2022 1HD1 LEU2022 -6.423 -15.454 1.319 83 HD12 LEU2022 2HD1 LEU2022 -6.474 -15.946 -0.391 84 HD13 LEU2022 3HD1 LEU2022 -4.918 -15.547 0.375 85 HD21 LEU2022 3HD2 LEU2022 -6.239 -13.745 -2.229 86 HD22 LEU2022 1HD2 LEU2022 -7.651 -14.513 -1.467 87 HD23 LEU2022 2HD2 LEU2022 -7.457 -12.746 -1.397 88 H TRP2023 H TRP2023 -3.741 -11.988 1.553 89 HA TRP2023 HA TRP2023 -3.739 -9.721 3.301 90 HB2 TRP2023 1HB TRP2023 -1.881 -10.992 1.378 91 HB3 TRP2023 2HB TRP2023 -1.674 -9.262 1.654 92 HD1 TRP2023 HD TRP2023 -2.857 -11.096 4.734 93 HE1 TRP2023 1HE TRP2023 -0.938 -11.413 6.517 94 HE3 TRP2023 3HE TRP2023 0.944 -9.691 1.663 95 HZ2 TRP2023 2HZ TRP2023 1.891 -11.050 6.443 96 HZ3 TRP2023 3HZ TRP2023 3.256 -9.699 2.597 97 HH2 TRP2023 HH TRP2023 3.759 -10.349 4.899 98 H HIS2024 H HIS2024 -4.047 -10.370 -0.255 99 HA HIS2024 HA HIS2024 -4.195 -7.823 -1.166 100 HB2 HIS2024 1HB HIS2024 -6.097 -9.877 -2.231 101 HB3 HIS2024 2HB HIS2024 -5.109 -8.699 -3.106 102 HD1 HIS2024 1HD HIS2024 -5.115 -12.181 -1.789 103 HD2 HIS2024 2HD HIS2024 -2.342 -9.476 -3.398 104 HE1 HIS2024 1HE HIS2024 -3.051 -13.552 -2.400 105 HE2 HIS2024 2HE HIS2024 -1.372 -11.839 -3.387 106 H GLU2025 H GLU2025 -6.415 -9.483 0.960 107 HA GLU2025 HA GLU2025 -8.680 -7.953 0.318 108 HB2 GLU2025 1HB GLU2025 -9.737 -9.144 1.984 109 HB3 GLU2025 2HB GLU2025 -8.371 -10.231 1.670 110 HG2 GLU2025 1HG GLU2025 -8.375 -10.034 4.014 111 HG3 GLU2025 2HG GLU2025 -7.150 -8.849 3.533 112 HE2 GLU2025 HE GLU2025 -8.987 -6.812 5.661 113 H MET2026 H MET2026 -5.933 -7.594 2.587 114 HA MET2026 HA MET2026 -7.119 -5.428 3.962 115 HB2 MET2026 1HB MET2026 -5.069 -5.394 5.181 116 HB3 MET2026 2HB MET2026 -5.220 -7.093 4.702 117 HG2 MET2026 1HG MET2026 -3.050 -6.735 4.002 118 HG3 MET2026 2HG MET2026 -3.866 -6.164 2.545 119 HE1 MET2026 3HE MET2026 -1.005 -5.025 4.952 120 HE2 MET2026 1HE MET2026 -1.105 -5.663 3.293 121 HE3 MET2026 2HE MET2026 -0.689 -3.955 3.566 122 H TRP2027 H TRP2027 -5.066 -5.827 1.086 123 HA TRP2027 HA TRP2027 -4.203 -3.125 0.978 124 HB2 TRP2027 1HB TRP2027 -4.292 -5.339 -1.068 125 HB3 TRP2027 2HB TRP2027 -3.602 -3.744 -1.378 126 HD1 TRP2027 HD TRP2027 -2.990 -6.814 0.941 127 HE1 TRP2027 1HE TRP2027 -0.451 -6.958 1.645 128 HE3 TRP2027 3HE TRP2027 -1.592 -2.438 -1.240 129 HZ2 TRP2027 2HZ TRP2027 1.806 -5.263 1.222 130 HZ3 TRP2027 3HZ TRP2027 0.797 -1.755 -1.047 131 HH2 TRP2027 HH TRP2027 2.472 -3.089 0.132 132 H HIS2028 H HIS2028 -6.766 -5.085 -0.695 133 HA HIS2028 HA HIS2028 -7.786 -3.032 -2.225 134 HB2 HIS2028 1HB HIS2028 -9.051 -5.514 -1.060 135 HB3 HIS2028 2HB HIS2028 -9.906 -4.440 -2.175 136 HD1 HIS2028 1HD HIS2028 -10.043 -6.170 -4.081 137 HD2 HIS2028 2HD HIS2028 -6.126 -5.387 -2.794 138 HE1 HIS2028 1HE HIS2028 -8.498 -7.248 -5.801 139 HE2 HIS2028 2HE HIS2028 -6.097 -6.740 -4.961 140 H GLU2029 H GLU2029 -8.777 -4.164 1.078 141 HA GLU2029 HA GLU2029 -10.712 -2.144 1.325 142 HB2 GLU2029 1HB GLU2029 -9.339 -3.681 3.561 143 HB3 GLU2029 2HB GLU2029 -10.937 -2.921 3.619 144 HG2 GLU2029 1HG GLU2029 -10.557 -4.865 1.408 145 HG3 GLU2029 2HG GLU2029 -10.466 -5.578 3.025 146 HE2 GLU2029 HE GLU2029 -13.946 -5.263 1.692 147 H GLY2030 H GLY2030 -7.238 -2.422 2.085 148 HA2 GLY2030 2HA GLY2030 -6.973 -0.279 3.855 149 HA3 GLY2030 3HA GLY2030 -5.730 -0.919 2.800 150 H LEU2031 H LEU2031 -6.126 -0.312 0.315 151 HA LEU2031 HA LEU2031 -5.905 2.468 0.167 152 HB2 LEU2031 1HB LEU2031 -5.457 0.240 -1.457 153 HB3 LEU2031 2HB LEU2031 -6.604 1.253 -2.354 154 HG LEU2031 HG LEU2031 -5.092 3.065 -2.435 155 HD11 LEU2031 1HD1 LEU2031 -2.760 2.701 -1.242 156 HD12 LEU2031 2HD1 LEU2031 -4.150 3.399 -0.379 157 HD13 LEU2031 3HD1 LEU2031 -3.738 1.681 -0.158 158 HD21 LEU2031 3HD2 LEU2031 -2.849 1.419 -2.924 159 HD22 LEU2031 1HD2 LEU2031 -4.289 0.457 -3.336 160 HD23 LEU2031 2HD2 LEU2031 -4.032 2.048 -4.096 161 H GLU2032 H GLU2032 -8.662 0.241 -0.083 162 HA GLU2032 HA GLU2032 -10.414 1.843 -1.424 163 HB2 GLU2032 1HB GLU2032 -10.566 -0.435 0.451 164 HB3 GLU2032 2HB GLU2032 -12.033 0.562 0.419 165 HG2 GLU2032 1HG GLU2032 -12.194 0.294 -2.011 166 HG3 GLU2032 2HG GLU2032 -10.659 -0.585 -2.056 167 HE2 GLU2032 HE GLU2032 -12.127 -3.566 -1.257 168 H GLU2033 H GLU2033 -9.742 1.685 2.135 169 HA GLU2033 HA GLU2033 -11.559 3.808 2.638 170 HB2 GLU2033 1HB GLU2033 -10.693 1.809 4.167 171 HB3 GLU2033 2HB GLU2033 -9.452 2.986 4.629 172 HG2 GLU2033 1HG GLU2033 -11.027 4.459 5.563 173 HG3 GLU2033 2HG GLU2033 -12.373 3.792 4.628 174 HE2 GLU2033 HE GLU2033 -12.020 2.586 8.220 175 H ALA2034 H ALA2034 -7.951 3.406 2.678 176 HA ALA2034 HA ALA2034 -7.279 5.962 3.423 177 HB1 ALA2034 3HB ALA2034 -5.960 3.911 1.620 178 HB2 ALA2034 1HB ALA2034 -5.169 5.449 2.043 179 HB3 ALA2034 2HB ALA2034 -5.597 4.284 3.321 180 H SER2035 H SER2035 -8.114 4.650 0.167 181 HA SER2035 HA SER2035 -7.582 7.108 -1.106 182 HB2 SER2035 1HB SER2035 -8.391 6.059 -3.085 183 HB3 SER2035 2HB SER2035 -7.583 4.776 -2.166 184 HG SER2035 HG SER2035 -10.040 4.712 -3.128 185 H ARG2036 H ARG2036 -10.585 5.343 -0.084 186 HA ARG2036 HA ARG2036 -12.428 7.040 -1.061 187 HB2 ARG2036 1HB ARG2036 -13.042 4.962 0.043 188 HB3 ARG2036 2HB ARG2036 -12.407 5.529 1.597 189 HG2 ARG2036 1HG ARG2036 -14.293 6.717 2.055 190 HG3 ARG2036 2HG ARG2036 -14.436 7.329 0.399 191 HD2 ARG2036 1HD ARG2036 -16.202 5.918 0.208 192 HD3 ARG2036 2HD ARG2036 -15.015 4.610 0.121 193 HE ARG2036 HE ARG2036 -15.801 5.459 2.840 194 HH11 ARG2036 2HH2 ARG2036 -16.328 3.166 0.190 195 HH12 ARG2036 1HH2 ARG2036 -17.087 1.983 1.200 196 H LEU2037 H LEU2037 -10.662 7.253 2.101 197 HA LEU2037 HA LEU2037 -11.981 9.635 2.894 198 HB2 LEU2037 1HB LEU2037 -10.410 9.663 4.696 199 HB3 LEU2037 2HB LEU2037 -11.051 8.025 4.469 200 HG LEU2037 HG LEU2037 -8.866 7.625 3.117 201 HD11 LEU2037 1HD1 LEU2037 -8.472 10.343 3.969 202 HD12 LEU2037 2HD1 LEU2037 -7.218 9.300 4.679 203 HD13 LEU2037 3HD1 LEU2037 -7.459 9.326 2.917 204 HD21 LEU2037 3HD2 LEU2037 -7.621 7.184 5.301 205 HD22 LEU2037 1HD2 LEU2037 -9.054 7.853 6.121 206 HD23 LEU2037 2HD2 LEU2037 -9.210 6.406 5.096 207 H TYR2038 H TYR2038 -8.795 8.865 1.365 208 HA TYR2038 HA TYR2038 -7.738 11.403 1.358 209 HB2 TYR2038 1HB TYR2038 -6.525 9.375 0.672 210 HB3 TYR2038 2HB TYR2038 -7.713 9.022 -0.585 211 HD1 TYR2038 1HD TYR2038 -4.996 11.372 0.397 212 HD2 TYR2038 2HD TYR2038 -7.447 9.885 -2.780 213 HE1 TYR2038 1HE TYR2038 -3.549 12.592 -1.300 214 HE2 TYR2038 2HE TYR2038 -5.991 11.111 -4.465 215 HH TYR2038 HH TYR2038 -4.507 13.147 -4.417 216 H PHE2039 H PHE2039 -9.753 9.811 -1.215 217 HA PHE2039 HA PHE2039 -9.844 12.188 -2.761 218 HB2 PHE2039 1HB PHE2039 -11.300 9.501 -2.643 219 HB3 PHE2039 2HB PHE2039 -11.763 10.711 -3.842 220 HD1 PHE2039 2HD PHE2039 -9.765 11.626 -5.299 221 HD2 PHE2039 1HD PHE2039 -9.710 7.936 -3.199 222 HE1 PHE2039 2HE PHE2039 -7.957 10.785 -6.823 223 HE2 PHE2039 1HE PHE2039 -7.902 7.096 -4.724 224 HZ PHE2039 HZ PHE2039 -7.047 8.530 -6.518 225 H GLY2040 H GLY2040 -12.133 10.491 -0.529 226 HA2 GLY2040 2HA GLY2040 -14.339 12.155 -0.924 227 HA3 GLY2040 3HA GLY2040 -14.000 11.195 0.501 228 H GLU2041 H GLU2041 -11.409 12.492 1.134 229 HA GLU2041 HA GLU2041 -12.122 15.249 1.510 230 HB2 GLU2041 1HB GLU2041 -13.164 14.078 3.440 231 HB3 GLU2041 2HB GLU2041 -11.577 13.434 3.901 232 HG2 GLU2041 1HG GLU2041 -11.760 15.334 5.258 233 HG3 GLU2041 2HG GLU2041 -10.844 15.969 3.883 234 HE2 GLU2041 HE GLU2041 -13.237 18.301 3.230 235 H ARG2042 H ARG2042 -10.282 16.593 1.835 236 HA ARG2042 HA ARG2042 -7.888 15.435 0.948 237 HB2 ARG2042 1HB ARG2042 -8.941 17.957 0.927 238 HB3 ARG2042 2HB ARG2042 -7.786 18.127 2.258 239 HG2 ARG2042 1HG ARG2042 -6.474 18.691 0.414 240 HG3 ARG2042 2HG ARG2042 -6.112 16.962 0.571 241 HD2 ARG2042 1HD ARG2042 -8.035 16.574 -1.099 242 HD3 ARG2042 2HD ARG2042 -8.009 18.317 -1.396 243 HE ARG2042 HE ARG2042 -6.023 18.039 -2.606 244 HH11 ARG2042 2HH2 ARG2042 -6.582 15.138 -0.651 245 HH12 ARG2042 1HH2 ARG2042 -5.280 14.252 -1.372 246 H ASN2043 H ASN2043 -8.216 13.838 3.018 247 HA ASN2043 HA ASN2043 -6.500 14.969 5.084 248 HB2 ASN2043 1HB ASN2043 -8.964 13.205 5.332 249 HB3 ASN2043 2HB ASN2043 -7.744 13.226 6.615 250 HD21 ASN2043 1HD2 ASN2043 -8.335 14.450 8.221 251 HD22 ASN2043 2HD2 ASN2043 -9.141 15.980 8.144 252 H VAL2044 H VAL2044 -4.831 13.937 3.542 253 HA VAL2044 HA VAL2044 -4.817 11.229 2.950 254 HB VAL2044 HB VAL2044 -2.612 13.260 3.318 255 HG11 VAL2044 1HG1 VAL2044 -2.372 10.407 3.104 256 HG12 VAL2044 2HG1 VAL2044 -1.766 11.153 1.607 257 HG13 VAL2044 3HG1 VAL2044 -1.090 11.638 3.179 258 HG21 VAL2044 3HG2 VAL2044 -2.990 13.883 1.194 259 HG22 VAL2044 1HG2 VAL2044 -3.180 12.204 0.636 260 HG23 VAL2044 2HG2 VAL2044 -4.558 13.060 1.370 261 H LYS2045 H LYS2045 -4.378 12.906 5.973 262 HA LYS2045 HA LYS2045 -2.625 11.299 7.321 263 HB2 LYS2045 1HB LYS2045 -3.856 11.991 9.351 264 HB3 LYS2045 2HB LYS2045 -3.484 13.342 8.263 265 HG2 LYS2045 1HG LYS2045 -5.684 13.852 8.492 266 HG3 LYS2045 2HG LYS2045 -5.964 12.535 7.337 267 HD2 LYS2045 1HD LYS2045 -7.333 11.770 9.006 268 HD3 LYS2045 2HD LYS2045 -5.823 11.100 9.649 269 HE2 LYS2045 1HE LYS2045 -6.440 13.929 10.384 270 HE3 LYS2045 2HE LYS2045 -7.504 12.701 11.090 271 HZ1 LYS2045 2HZ LYS2045 -5.345 11.553 11.759 272 HZ3 LYS2045 1HZ LYS2045 -5.687 12.925 12.566 273 H GLY2046 H GLY2046 -6.106 10.749 6.586 274 HA2 GLY2046 2HA GLY2046 -6.566 8.518 8.147 275 HA3 GLY2046 3HA GLY2046 -7.332 8.865 6.610 276 H MET2047 H MET2047 -5.400 8.638 4.698 277 HA MET2047 HA MET2047 -5.173 5.951 4.345 278 HB2 MET2047 1HB MET2047 -4.910 7.443 2.476 279 HB3 MET2047 2HB MET2047 -3.603 8.342 3.265 280 HG2 MET2047 1HG MET2047 -3.234 5.398 2.705 281 HG3 MET2047 2HG MET2047 -3.079 6.538 1.366 282 HE1 MET2047 3HE MET2047 -0.496 8.452 1.480 283 HE2 MET2047 1HE MET2047 -2.174 8.818 1.948 284 HE3 MET2047 2HE MET2047 -0.841 9.163 3.076 285 H PHE2048 H PHE2048 -2.567 8.255 5.417 286 HA PHE2048 HA PHE2048 -0.547 6.444 5.715 287 HB2 PHE2048 1HB PHE2048 -1.461 8.958 7.191 288 HB3 PHE2048 2HB PHE2048 0.038 8.159 7.674 289 HD1 PHE2048 1HD PHE2048 1.042 7.351 4.972 290 HD2 PHE2048 2HD PHE2048 -0.692 10.981 6.326 291 HE1 PHE2048 1HE PHE2048 2.269 8.607 3.178 292 HE2 PHE2048 2HE PHE2048 0.536 12.237 4.532 293 HZ PHE2048 HZ PHE2048 2.002 11.034 2.980 294 H GLU2049 H GLU2049 -3.260 7.197 7.959 295 HA GLU2049 HA GLU2049 -2.165 5.572 10.008 296 HB2 GLU2049 1HB GLU2049 -4.982 6.672 9.675 297 HB3 GLU2049 2HB GLU2049 -4.295 6.025 11.175 298 HG2 GLU2049 1HG GLU2049 -2.862 7.861 11.453 299 HG3 GLU2049 2HG GLU2049 -2.887 8.283 9.735 300 HE2 GLU2049 HE GLU2049 -6.364 9.418 10.338 301 H VAL2050 H VAL2050 -3.886 4.994 7.076 302 HA VAL2050 HA VAL2050 -5.165 2.583 8.042 303 HB VAL2050 HB VAL2050 -5.106 4.152 5.488 304 HG11 VAL2050 1HG1 VAL2050 -6.362 2.424 4.327 305 HG12 VAL2050 2HG1 VAL2050 -4.787 1.778 4.844 306 HG13 VAL2050 3HG1 VAL2050 -6.262 1.355 5.746 307 HG21 VAL2050 3HG2 VAL2050 -7.647 3.094 6.524 308 HG22 VAL2050 1HG2 VAL2050 -6.783 4.140 7.677 309 HG23 VAL2050 2HG2 VAL2050 -7.196 4.753 6.056 310 H LEU2051 H LEU2051 -2.426 3.614 5.929 311 HA LEU2051 HA LEU2051 -1.728 0.895 5.351 312 HB2 LEU2051 1HB LEU2051 0.183 3.108 4.911 313 HB3 LEU2051 2HB LEU2051 -0.262 1.754 3.858 314 HG LEU2051 HG LEU2051 -1.582 4.430 4.213 315 HD11 LEU2051 1HD1 LEU2051 0.145 4.052 2.457 316 HD12 LEU2051 2HD1 LEU2051 -0.929 2.837 1.721 317 HD13 LEU2051 3HD1 LEU2051 -1.444 4.538 1.820 318 HD21 LEU2051 3HD2 LEU2051 -2.948 1.859 3.725 319 HD22 LEU2051 1HD2 LEU2051 -3.584 3.413 4.317 320 HD23 LEU2051 2HD2 LEU2051 -3.339 3.159 2.572 321 H GLU2052 H GLU2052 -0.692 3.490 7.605 322 HA GLU2052 HA GLU2052 1.630 2.588 8.504 323 HB2 GLU2052 1HB GLU2052 -0.606 4.099 9.617 324 HB3 GLU2052 2HB GLU2052 0.263 3.216 10.885 325 HG2 GLU2052 1HG GLU2052 1.796 4.778 8.799 326 HG3 GLU2052 2HG GLU2052 1.061 5.636 10.162 327 HE2 GLU2052 HE GLU2052 4.242 3.292 10.712 328 HA PRO2053 HA PRO2053 -0.490 -0.672 11.217 329 HB2 PRO2053 1HB PRO2053 -3.168 -1.146 10.945 330 HB3 PRO2053 2HB PRO2053 -2.496 -0.082 12.181 331 HG2 PRO2053 1HG PRO2053 -3.862 0.576 9.649 332 HG3 PRO2053 2HG PRO2053 -3.622 1.615 11.098 333 HD2 PRO2053 1HD PRO2053 -2.251 1.716 8.588 334 HD3 PRO2053 2HD PRO2053 -1.869 2.655 10.036 335 H LEU2054 H LEU2054 -2.280 -0.566 8.176 336 HA LEU2054 HA LEU2054 -2.382 -3.249 7.705 337 HB2 LEU2054 1HB LEU2054 -2.300 -0.806 6.024 338 HB3 LEU2054 2HB LEU2054 -2.098 -2.369 5.215 339 HG LEU2054 HG LEU2054 -4.276 -2.852 5.380 340 HD11 LEU2054 1HD1 LEU2054 -4.068 -1.850 8.213 341 HD12 LEU2054 2HD1 LEU2054 -5.637 -2.275 7.487 342 HD13 LEU2054 3HD1 LEU2054 -4.356 -3.503 7.619 343 HD21 LEU2054 3HD2 LEU2054 -5.302 -0.321 6.338 344 HD22 LEU2054 1HD2 LEU2054 -3.963 -0.075 5.193 345 HD23 LEU2054 2HD2 LEU2054 -5.377 -1.043 4.712 346 H HIS2055 H HIS2055 0.273 -0.965 6.748 347 HA HIS2055 HA HIS2055 1.892 -2.947 5.663 348 HB2 HIS2055 1HB HIS2055 2.524 -0.236 6.839 349 HB3 HIS2055 2HB HIS2055 3.718 -1.237 6.006 350 HD1 HIS2055 1HD HIS2055 2.787 1.608 4.992 351 HD2 HIS2055 2HD HIS2055 1.311 -2.070 3.613 352 HE1 HIS2055 1HE HIS2055 1.847 2.042 2.660 353 HE2 HIS2055 2HE HIS2055 0.950 -0.253 1.854 354 H ALA2056 H ALA2056 1.902 -1.414 8.955 355 HA ALA2056 HA ALA2056 4.009 -2.812 10.016 356 HB1 ALA2056 3HB ALA2056 1.603 -1.380 11.003 357 HB2 ALA2056 1HB ALA2056 2.307 -2.549 12.145 358 HB3 ALA2056 2HB ALA2056 3.307 -1.229 11.493 359 H MET2057 H MET2057 0.494 -3.720 9.962 360 HA MET2057 HA MET2057 0.693 -6.046 11.342 361 HB2 MET2057 1HB MET2057 -1.518 -5.976 10.798 362 HB3 MET2057 2HB MET2057 -1.185 -4.709 9.605 363 HG2 MET2057 1HG MET2057 -0.760 -6.384 7.878 364 HG3 MET2057 2HG MET2057 -0.863 -7.697 9.054 365 HE1 MET2057 3HE MET2057 -2.359 -7.907 6.540 366 HE2 MET2057 1HE MET2057 -4.060 -7.387 6.487 367 HE3 MET2057 2HE MET2057 -2.757 -6.197 6.246 368 H MET2058 H MET2058 1.496 -5.389 7.910 369 HA MET2058 HA MET2058 1.740 -8.087 7.196 370 HB2 MET2058 1HB MET2058 2.944 -5.515 6.052 371 HB3 MET2058 2HB MET2058 3.006 -7.075 5.216 372 HG2 MET2058 1HG MET2058 0.294 -6.329 6.125 373 HG3 MET2058 2HG MET2058 0.977 -5.178 4.974 374 HE1 MET2058 3HE MET2058 -1.539 -8.018 3.538 375 HE2 MET2058 1HE MET2058 -0.932 -8.745 5.044 376 HE3 MET2058 2HE MET2058 -1.440 -7.039 5.022 377 H GLU2059 H GLU2059 3.913 -5.705 8.702 378 HA GLU2059 HA GLU2059 6.243 -7.237 8.206 379 HB2 GLU2059 1HB GLU2059 5.971 -5.134 10.363 380 HB3 GLU2059 2HB GLU2059 7.401 -5.542 9.399 381 HG2 GLU2059 1HG GLU2059 5.803 -4.809 7.385 382 HG3 GLU2059 2HG GLU2059 4.983 -3.895 8.661 383 HE2 GLU2059 HE GLU2059 7.402 -1.488 8.723 384 H ARG2060 H ARG2060 4.492 -6.364 11.282 385 HA ARG2060 HA ARG2060 5.849 -8.357 12.706 386 HB2 ARG2060 1HB ARG2060 4.262 -7.785 14.536 387 HB3 ARG2060 2HB ARG2060 4.939 -6.324 13.797 388 HG2 ARG2060 1HG ARG2060 2.883 -6.130 12.390 389 HG3 ARG2060 2HG ARG2060 2.203 -7.550 13.202 390 HD2 ARG2060 1HD ARG2060 3.148 -5.128 14.768 391 HD3 ARG2060 2HD ARG2060 1.521 -5.177 14.067 392 HE ARG2060 HE ARG2060 2.450 -6.610 16.410 393 HH11 ARG2060 2HH2 ARG2060 0.207 -6.853 13.678 394 HH12 ARG2060 1HH2 ARG2060 -0.870 -7.934 14.497 395 H GLY2061 H GLY2061 3.047 -8.312 10.624 396 HA2 GLY2061 2HA GLY2061 2.193 -10.955 11.650 397 HA3 GLY2061 3HA GLY2061 1.131 -9.780 10.900 398 HA PRO2062 HA PRO2062 3.899 -11.660 7.518 399 HB2 PRO2062 1HB PRO2062 5.355 -13.891 8.125 400 HB3 PRO2062 2HB PRO2062 6.037 -12.266 8.125 401 HG2 PRO2062 1HG PRO2062 5.231 -13.984 10.382 402 HG3 PRO2062 2HG PRO2062 6.345 -12.569 10.389 403 HD2 PRO2062 1HD PRO2062 3.644 -12.715 11.330 404 HD3 PRO2062 2HD PRO2062 4.645 -11.259 11.213 405 H GLN2063 H GLN2063 4.241 -14.272 6.596 406 HA GLN2063 HA GLN2063 1.712 -15.498 7.263 407 HB2 GLN2063 1HB GLN2063 1.351 -13.943 5.304 408 HB3 GLN2063 2HB GLN2063 2.482 -14.935 4.368 409 HG2 GLN2063 1HG GLN2063 0.983 -16.660 4.155 410 HG3 GLN2063 2HG GLN2063 0.291 -16.414 5.765 411 HE21 GLN2063 1HE2 GLN2063 -1.440 -16.957 3.876 412 HE22 GLN2063 2HE2 GLN2063 -2.341 -15.575 3.349 413 H THR2064 H THR2064 4.110 -15.894 4.562 414 HA THR2064 HA THR2064 5.401 -18.100 5.817 415 HB THR2064 HB THR2064 3.379 -19.329 5.292 416 HG1 THR2064 1HG THR2064 4.343 -20.721 3.639 417 HG21 THR2064 3HG2 THR2064 2.215 -19.231 3.219 418 HG22 THR2064 1HG2 THR2064 2.635 -17.525 3.502 419 HG23 THR2064 2HG2 THR2064 3.601 -18.504 2.373 420 H LEU2065 H LEU2065 6.990 -19.157 4.272 421 HA LEU2065 HA LEU2065 8.532 -17.184 3.112 422 HB2 LEU2065 1HB LEU2065 8.461 -20.145 3.115 423 HB3 LEU2065 2HB LEU2065 9.450 -19.363 1.870 424 HG LEU2065 HG LEU2065 9.811 -19.496 4.827 425 HD11 LEU2065 1HD1 LEU2065 11.805 -19.453 2.548 426 HD12 LEU2065 2HD1 LEU2065 12.115 -19.882 4.247 427 HD13 LEU2065 3HD1 LEU2065 11.080 -20.923 3.241 428 HD21 LEU2065 3HD2 LEU2065 10.529 -17.097 3.147 429 HD22 LEU2065 1HD2 LEU2065 9.710 -17.158 4.726 430 HD23 LEU2065 2HD2 LEU2065 11.445 -17.536 4.610 431 H LYS2066 H LYS2066 5.762 -18.984 1.865 432 HA LYS2066 HA LYS2066 6.313 -18.470 -0.871 433 HB2 LYS2066 1HB LYS2066 4.924 -20.337 -0.020 434 HB3 LYS2066 2HB LYS2066 3.681 -19.168 0.462 435 HG2 LYS2066 1HG LYS2066 3.215 -18.572 -1.778 436 HG3 LYS2066 2HG LYS2066 4.748 -19.227 -2.381 437 HD2 LYS2066 1HD LYS2066 3.926 -21.355 -2.510 438 HD3 LYS2066 2HD LYS2066 2.960 -21.197 -1.033 439 HE2 LYS2066 1HE LYS2066 1.947 -19.445 -3.132 440 HE3 LYS2066 2HE LYS2066 2.036 -21.114 -3.716 441 HZ1 LYS2066 2HZ LYS2066 0.978 -21.057 -1.090 442 HZ3 LYS2066 1HZ LYS2066 0.262 -21.600 -2.448 443 H GLU2067 H GLU2067 4.619 -16.769 1.776 444 HA GLU2067 HA GLU2067 3.610 -14.820 -0.068 445 HB2 GLU2067 1HB GLU2067 3.012 -15.693 2.603 446 HB3 GLU2067 2HB GLU2067 3.331 -13.950 2.652 447 HG2 GLU2067 1HG GLU2067 1.622 -14.936 0.407 448 HG3 GLU2067 2HG GLU2067 0.904 -15.022 2.022 449 HE2 GLU2067 HE GLU2067 -0.038 -11.773 1.224 450 H THR2068 H THR2068 6.484 -15.406 1.787 451 HA THR2068 HA THR2068 7.275 -12.844 2.485 452 HB THR2068 HB THR2068 8.602 -15.485 1.850 453 HG1 THR2068 1HG THR2068 8.505 -15.368 4.060 454 HG21 THR2068 3HG2 THR2068 10.120 -13.547 0.997 455 HG22 THR2068 1HG2 THR2068 10.169 -13.005 2.691 456 HG23 THR2068 2HG2 THR2068 10.808 -14.606 2.251 457 H SER2069 H SER2069 7.020 -14.350 -0.687 458 HA SER2069 HA SER2069 8.836 -12.629 -1.949 459 HB2 SER2069 1HB SER2069 7.212 -14.844 -2.641 460 HB3 SER2069 2HB SER2069 6.708 -13.533 -3.723 461 HG SER2069 HG SER2069 9.016 -13.256 -4.246 462 H PHE2070 H PHE2070 5.319 -12.527 -1.229 463 HA PHE2070 HA PHE2070 4.695 -10.354 -2.868 464 HB2 PHE2070 1HB PHE2070 3.041 -11.880 -1.831 465 HB3 PHE2070 2HB PHE2070 3.603 -11.450 -0.212 466 HD1 PHE2070 1HD PHE2070 3.380 -8.889 0.372 467 HD2 PHE2070 2HD PHE2070 1.161 -10.855 -2.662 468 HE1 PHE2070 1HE PHE2070 1.636 -7.088 0.482 469 HE2 PHE2070 2HE PHE2070 -0.584 -9.054 -2.553 470 HZ PHE2070 HZ PHE2070 -0.326 -7.192 -0.983 471 H ASN2071 H ASN2071 5.649 -10.557 0.624 472 HA ASN2071 HA ASN2071 5.402 -7.808 1.035 473 HB2 ASN2071 1HB ASN2071 5.734 -9.964 2.659 474 HB3 ASN2071 2HB ASN2071 7.403 -9.377 2.646 475 HD21 ASN2071 1HD2 ASN2071 7.741 -8.336 4.457 476 HD22 ASN2071 2HD2 ASN2071 6.735 -7.119 5.169 477 H GLN2072 H GLN2072 7.911 -9.959 -0.265 478 HA GLN2072 HA GLN2072 10.019 -8.091 0.086 479 HB2 GLN2072 1HB GLN2072 9.662 -10.811 -1.049 480 HB3 GLN2072 2HB GLN2072 10.961 -9.858 -1.789 481 HG2 GLN2072 1HG GLN2072 11.188 -9.438 1.004 482 HG3 GLN2072 2HG GLN2072 10.874 -11.170 0.817 483 HE21 GLN2072 1HE2 GLN2072 12.986 -11.565 1.563 484 HE22 GLN2072 2HE2 GLN2072 14.371 -11.397 0.537 485 H ALA2073 H ALA2073 8.136 -9.354 -2.757 486 HA ALA2073 HA ALA2073 9.257 -7.963 -4.769 487 HB1 ALA2073 3HB ALA2073 7.214 -9.583 -4.671 488 HB2 ALA2073 1HB ALA2073 6.248 -8.100 -4.488 489 HB3 ALA2073 2HB ALA2073 7.252 -8.335 -5.939 490 H TYR2074 H TYR2074 6.675 -6.729 -2.532 491 HA TYR2074 HA TYR2074 7.075 -4.058 -3.614 492 HB2 TYR2074 1HB TYR2074 5.305 -5.161 -1.353 493 HB3 TYR2074 2HB TYR2074 5.056 -3.634 -2.206 494 HD1 TYR2074 1HD TYR2074 5.329 -4.424 -5.025 495 HD2 TYR2074 2HD TYR2074 3.436 -6.473 -1.782 496 HE1 TYR2074 1HE TYR2074 3.795 -5.616 -6.665 497 HE2 TYR2074 2HE TYR2074 1.907 -7.658 -3.433 498 HH TYR2074 HH TYR2074 1.020 -7.157 -5.741 499 H GLY2075 H GLY2075 8.251 -6.065 -1.051 500 HA2 GLY2075 2HA GLY2075 8.528 -4.588 1.162 501 HA3 GLY2075 3HA GLY2075 9.823 -5.571 0.511 502 H ARG2076 H ARG2076 10.439 -4.149 -1.888 503 HA ARG2076 HA ARG2076 11.939 -2.051 -0.727 504 HB2 ARG2076 1HB ARG2076 12.124 -3.704 -3.008 505 HB3 ARG2076 2HB ARG2076 11.927 -2.069 -3.664 506 HG2 ARG2076 1HG ARG2076 14.078 -3.132 -1.807 507 HG3 ARG2076 2HG ARG2076 14.286 -2.360 -3.389 508 HD2 ARG2076 1HD ARG2076 12.928 -0.432 -1.886 509 HD3 ARG2076 2HD ARG2076 14.044 -1.146 -0.711 510 HE ARG2076 HE ARG2076 15.394 -0.613 -3.206 511 HH11 ARG2076 2HH2 ARG2076 14.136 1.033 -0.331 512 HH12 ARG2076 1HH2 ARG2076 15.246 2.358 -0.451 513 H ASP2077 H ASP2077 9.317 -2.316 -3.229 514 HA ASP2077 HA ASP2077 9.127 0.285 -3.923 515 HB2 ASP2077 1HB ASP2077 6.894 -1.738 -3.467 516 HB3 ASP2077 2HB ASP2077 6.676 -0.219 -4.349 517 HD2 ASP2077 HD ASP2077 7.313 -1.985 -7.187 518 H LEU2078 H LEU2078 7.306 -1.468 -1.290 519 HA LEU2078 HA LEU2078 5.898 0.677 -0.305 520 HB2 LEU2078 1HB LEU2078 6.982 -1.800 1.007 521 HB3 LEU2078 2HB LEU2078 5.920 -0.654 1.845 522 HG LEU2078 HG LEU2078 5.279 -2.341 -0.586 523 HD11 LEU2078 1HD1 LEU2078 3.531 -2.494 1.759 524 HD12 LEU2078 2HD1 LEU2078 4.269 -3.789 0.783 525 HD13 LEU2078 3HD1 LEU2078 5.204 -3.011 2.083 526 HD21 LEU2078 3HD2 LEU2078 2.915 -1.166 0.280 527 HD22 LEU2078 1HD2 LEU2078 4.098 0.164 0.302 528 HD23 LEU2078 2HD2 LEU2078 3.831 -0.766 -1.192 529 H MET2079 H MET2079 9.294 -0.321 0.262 530 HA MET2079 HA MET2079 9.764 1.363 2.403 531 HB2 MET2079 1HB MET2079 11.172 -0.501 0.867 532 HB3 MET2079 2HB MET2079 12.028 1.007 0.504 533 HG2 MET2079 1HG MET2079 13.136 0.727 2.462 534 HG3 MET2079 2HG MET2079 11.619 1.067 3.299 535 HE1 MET2079 3HE MET2079 9.865 -1.234 4.083 536 HE2 MET2079 1HE MET2079 11.055 -1.883 5.236 537 HE3 MET2079 2HE MET2079 10.965 -0.130 4.942 538 H GLU2080 H GLU2080 10.183 1.865 -1.161 539 HA GLU2080 HA GLU2080 11.301 4.392 -0.925 540 HB2 GLU2080 1HB GLU2080 11.411 3.028 -2.968 541 HB3 GLU2080 2HB GLU2080 9.662 3.188 -3.201 542 HG2 GLU2080 1HG GLU2080 9.844 5.537 -3.624 543 HG3 GLU2080 2HG GLU2080 11.509 5.603 -3.024 544 HE2 GLU2080 HE GLU2080 12.685 5.133 -6.184 545 H ALA2081 H ALA2081 7.878 3.369 -1.615 546 HA ALA2081 HA ALA2081 6.774 5.885 -1.761 547 HB1 ALA2081 3HB ALA2081 5.612 3.277 -0.700 548 HB2 ALA2081 1HB ALA2081 4.657 4.707 -1.159 549 HB3 ALA2081 2HB ALA2081 5.602 3.834 -2.390 550 H GLN2082 H GLN2082 7.596 3.856 1.093 551 HA GLN2082 HA GLN2082 6.280 5.442 2.949 552 HB2 GLN2082 1HB GLN2082 7.024 3.175 3.451 553 HB3 GLN2082 2HB GLN2082 8.723 3.641 3.252 554 HG2 GLN2082 1HG GLN2082 7.665 5.477 5.114 555 HG3 GLN2082 2HG GLN2082 6.968 3.920 5.580 556 HE21 GLN2082 1HE2 GLN2082 8.483 2.081 5.712 557 HE22 GLN2082 2HE2 GLN2082 10.072 2.346 6.350 558 H GLU2083 H GLU2083 9.569 5.591 1.513 559 HA GLU2083 HA GLU2083 10.568 7.494 3.271 560 HB2 GLU2083 1HB GLU2083 12.416 7.006 2.108 561 HB3 GLU2083 2HB GLU2083 11.449 6.085 0.943 562 HG2 GLU2083 1HG GLU2083 10.995 8.212 -0.294 563 HG3 GLU2083 2HG GLU2083 12.039 9.081 0.841 564 HE2 GLU2083 HE GLU2083 13.595 7.048 -2.157 565 H TRP2084 H TRP2084 8.687 7.728 0.223 566 HA TRP2084 HA TRP2084 8.998 10.520 -0.071 567 HB2 TRP2084 1HB TRP2084 6.994 8.551 -1.159 568 HB3 TRP2084 2HB TRP2084 7.014 10.260 -1.596 569 HD1 TRP2084 HD TRP2084 8.691 6.980 -2.444 570 HE1 TRP2084 1HE TRP2084 10.521 7.246 -4.326 571 HE3 TRP2084 3HE TRP2084 8.781 12.063 -2.367 572 HZ2 TRP2084 2HZ TRP2084 11.773 9.503 -5.545 573 HZ3 TRP2084 3HZ TRP2084 10.335 13.220 -3.936 574 HH2 TRP2084 HH TRP2084 11.798 12.025 -5.487 575 H CYS2085 H CYS2085 6.798 8.343 1.721 576 HA CYS2085 HA CYS2085 4.783 10.146 2.270 577 HB2 CYS2085 1HB CYS2085 4.248 7.982 2.817 578 HB3 CYS2085 2HB CYS2085 5.800 7.661 3.609 579 HG CYS2085 HG CYS2085 3.637 7.680 5.256 580 H ARG2086 H ARG2086 7.713 9.239 4.240 581 HA ARG2086 HA ARG2086 7.293 11.077 6.222 582 HB2 ARG2086 1HB ARG2086 9.635 9.546 5.155 583 HB3 ARG2086 2HB ARG2086 10.017 10.905 6.227 584 HG2 ARG2086 1HG ARG2086 9.770 9.215 7.786 585 HG3 ARG2086 2HG ARG2086 8.097 9.799 7.731 586 HD2 ARG2086 1HD ARG2086 7.782 8.024 5.843 587 HD3 ARG2086 2HD ARG2086 9.293 7.322 6.437 588 HE ARG2086 HE ARG2086 6.681 7.283 7.764 589 HH11 ARG2086 2HH2 ARG2086 10.180 7.030 8.266 590 HH12 ARG2086 1HH2 ARG2086 10.029 6.149 9.750 591 H LYS2087 H LYS2087 8.888 11.369 3.019 592 HA LYS2087 HA LYS2087 10.168 13.795 3.403 593 HB2 LYS2087 1HB LYS2087 9.152 12.251 1.060 594 HB3 LYS2087 2HB LYS2087 9.669 13.926 0.802 595 HG2 LYS2087 1HG LYS2087 11.874 13.448 1.660 596 HG3 LYS2087 2HG LYS2087 11.377 11.847 2.238 597 HD2 LYS2087 1HD LYS2087 11.937 10.963 0.248 598 HD3 LYS2087 2HD LYS2087 10.763 12.010 -0.569 599 HE2 LYS2087 1HE LYS2087 12.510 13.047 -1.551 600 HE3 LYS2087 2HE LYS2087 12.957 13.691 0.036 601 HZ1 LYS2087 2HZ LYS2087 14.823 12.478 -0.251 602 HZ3 LYS2087 1HZ LYS2087 14.213 11.605 -1.483 603 H TYR2088 H TYR2088 6.803 13.072 2.277 604 HA TYR2088 HA TYR2088 6.125 15.808 1.999 605 HB2 TYR2088 1HB TYR2088 4.784 14.250 0.799 606 HB3 TYR2088 2HB TYR2088 4.840 13.058 2.101 607 HD1 TYR2088 2HD TYR2088 3.364 13.386 4.123 608 HD2 TYR2088 1HD TYR2088 2.996 15.797 0.607 609 HE1 TYR2088 2HE TYR2088 1.040 14.111 4.854 610 HE2 TYR2088 1HE TYR2088 0.673 16.514 1.351 611 HH TYR2088 HH TYR2088 -1.031 15.937 2.725 612 H MET2089 H MET2089 5.579 13.319 4.572 613 HA MET2089 HA MET2089 3.966 14.849 6.169 614 HB2 MET2089 1HB MET2089 6.039 12.684 6.746 615 HB3 MET2089 2HB MET2089 5.005 13.334 8.031 616 HG2 MET2089 1HG MET2089 3.132 12.773 6.112 617 HG3 MET2089 2HG MET2089 4.326 11.521 5.753 618 HE1 MET2089 3HE MET2089 1.165 11.928 8.497 619 HE2 MET2089 1HE MET2089 1.420 11.897 6.735 620 HE3 MET2089 2HE MET2089 1.189 10.374 7.628 621 H LYS2090 H LYS2090 7.482 14.955 5.671 622 HA LYS2090 HA LYS2090 7.783 16.750 7.948 623 HB2 LYS2090 1HB LYS2090 9.394 14.760 6.773 624 HB3 LYS2090 2HB LYS2090 10.211 16.301 6.459 625 HG2 LYS2090 1HG LYS2090 9.165 15.420 9.182 626 HG3 LYS2090 2HG LYS2090 10.847 15.212 8.658 627 HD2 LYS2090 1HD LYS2090 11.243 17.281 9.460 628 HD3 LYS2090 2HD LYS2090 10.258 17.923 8.132 629 HE2 LYS2090 1HE LYS2090 8.309 18.027 9.490 630 HE3 LYS2090 2HE LYS2090 8.988 16.943 10.715 631 HZ1 LYS2090 2HZ LYS2090 10.034 18.677 11.694 632 HZ3 LYS2090 1HZ LYS2090 9.034 19.646 10.849 633 H SER2091 H SER2091 8.594 16.630 4.404 634 HA SER2091 HA SER2091 9.124 19.382 4.332 635 HB2 SER2091 1HB SER2091 10.057 17.724 2.736 636 HB3 SER2091 2HB SER2091 8.443 17.477 2.049 637 HG SER2091 HG SER2091 9.374 18.980 0.711 638 H GLY2092 H GLY2092 6.436 17.427 2.829 639 HA2 GLY2092 2HA GLY2092 4.167 17.951 3.035 640 HA3 GLY2092 3HA GLY2092 4.572 19.605 3.459 641 H ASN2093 H ASN2093 4.410 17.232 0.772 642 HA ASN2093 HA ASN2093 3.819 19.420 -0.985 643 HB2 ASN2093 1HB ASN2093 6.431 18.265 -0.925 644 HB3 ASN2093 2HB ASN2093 5.654 17.635 -2.385 645 HD21 ASN2093 1HD2 ASN2093 7.664 19.895 -1.388 646 HD22 ASN2093 2HD2 ASN2093 7.297 21.227 -2.432 647 H VAL2094 H VAL2094 2.104 18.715 -2.283 648 HA VAL2094 HA VAL2094 1.101 16.120 -2.030 649 HB VAL2094 HB VAL2094 -0.050 18.328 -2.632 650 HG11 VAL2094 1HG1 VAL2094 -0.324 18.822 -5.000 651 HG12 VAL2094 2HG1 VAL2094 1.400 18.877 -4.562 652 HG13 VAL2094 3HG1 VAL2094 0.748 17.468 -5.431 653 HG21 VAL2094 3HG2 VAL2094 -1.899 17.190 -3.542 654 HG22 VAL2094 1HG2 VAL2094 -0.871 16.008 -4.386 655 HG23 VAL2094 2HG2 VAL2094 -1.024 15.948 -2.614 656 H LYS2095 H LYS2095 3.235 17.697 -4.447 657 HA LYS2095 HA LYS2095 3.152 15.833 -6.443 658 HB2 LYS2095 1HB LYS2095 4.313 18.004 -6.512 659 HB3 LYS2095 2HB LYS2095 5.587 17.353 -5.465 660 HG2 LYS2095 1HG LYS2095 6.138 15.657 -7.146 661 HG3 LYS2095 2HG LYS2095 4.799 16.188 -8.177 662 HD2 LYS2095 1HD LYS2095 6.110 17.762 -9.108 663 HD3 LYS2095 2HD LYS2095 6.443 18.477 -7.521 664 HE2 LYS2095 1HE LYS2095 8.018 16.194 -7.492 665 HE3 LYS2095 2HE LYS2095 8.112 16.683 -9.192 666 HZ1 LYS2095 2HZ LYS2095 8.410 18.860 -7.318 667 HZ3 LYS2095 1HZ LYS2095 9.317 18.498 -8.622 668 H ASP2096 H ASP2096 5.258 15.830 -3.487 669 HA ASP2096 HA ASP2096 6.489 13.430 -4.117 670 HB2 ASP2096 1HB ASP2096 7.531 14.749 -2.462 671 HB3 ASP2096 2HB ASP2096 6.024 14.994 -1.564 672 HD2 ASP2096 HD ASP2096 8.404 12.517 -0.060 673 H LEU2097 H LEU2097 3.564 14.313 -2.176 674 HA LEU2097 HA LEU2097 3.043 11.804 -1.107 675 HB2 LEU2097 1HB LEU2097 2.017 13.742 -0.234 676 HB3 LEU2097 2HB LEU2097 1.264 14.140 -1.788 677 HG LEU2097 HG LEU2097 -0.362 12.486 -1.557 678 HD11 LEU2097 1HD1 LEU2097 -0.114 10.825 0.489 679 HD12 LEU2097 2HD1 LEU2097 0.635 10.486 -1.089 680 HD13 LEU2097 3HD1 LEU2097 1.617 11.152 0.237 681 HD21 LEU2097 3HD2 LEU2097 0.110 14.247 0.654 682 HD22 LEU2097 1HD2 LEU2097 -1.433 13.669 -0.020 683 HD23 LEU2097 2HD2 LEU2097 -0.611 12.734 1.254 684 H THR2098 H THR2098 2.000 13.331 -4.215 685 HA THR2098 HA THR2098 0.356 11.242 -5.058 686 HB THR2098 HB THR2098 2.025 13.336 -6.541 687 HG1 THR2098 1HG THR2098 0.145 14.497 -6.144 688 HG21 THR2098 3HG2 THR2098 0.761 11.098 -7.706 689 HG22 THR2098 1HG2 THR2098 -0.462 12.385 -7.808 690 HG23 THR2098 2HG2 THR2098 1.147 12.626 -8.535 691 H GLN2099 H GLN2099 3.899 11.758 -5.491 692 HA GLN2099 HA GLN2099 4.315 9.652 -7.186 693 HB2 GLN2099 1HB GLN2099 5.876 11.494 -5.684 694 HB3 GLN2099 2HB GLN2099 6.530 9.886 -5.330 695 HG2 GLN2099 1HG GLN2099 7.328 9.621 -7.447 696 HG3 GLN2099 2HG GLN2099 5.896 10.347 -8.195 697 HE21 GLN2099 1HE2 GLN2099 8.978 10.647 -8.292 698 HE22 GLN2099 2HE2 GLN2099 9.242 12.359 -8.281 699 H ALA2100 H ALA2100 4.322 9.735 -3.564 700 HA ALA2100 HA ALA2100 5.037 7.066 -3.198 701 HB1 ALA2100 3HB ALA2100 3.296 7.908 -1.100 702 HB2 ALA2100 1HB ALA2100 5.077 7.883 -1.108 703 HB3 ALA2100 2HB ALA2100 4.204 9.342 -1.639 704 H TRP2101 H TRP2101 1.811 8.683 -3.498 705 HA TRP2101 HA TRP2101 0.270 6.419 -3.046 706 HB2 TRP2101 1HB TRP2101 -0.095 9.122 -3.921 707 HB3 TRP2101 2HB TRP2101 -1.057 8.046 -4.937 708 HD1 TRP2101 HD TRP2101 -1.138 9.715 -1.591 709 HE1 TRP2101 1HE TRP2101 -3.177 8.940 -0.105 710 HE3 TRP2101 3HE TRP2101 -2.409 5.729 -4.482 711 HZ2 TRP2101 2HZ TRP2101 -5.050 6.794 -0.300 712 HZ3 TRP2101 3HZ TRP2101 -4.356 4.347 -3.765 713 HH2 TRP2101 HH TRP2101 -5.658 4.825 -1.753 714 H ASP2102 H ASP2102 2.142 7.558 -5.850 715 HA ASP2102 HA ASP2102 0.884 5.989 -7.761 716 HB2 ASP2102 1HB ASP2102 2.665 7.925 -7.933 717 HB3 ASP2102 2HB ASP2102 3.851 6.614 -7.834 718 HD2 ASP2102 HD ASP2102 2.648 7.547 -11.294 719 H LEU2103 H LEU2103 3.869 5.532 -5.731 720 HA LEU2103 HA LEU2103 4.644 3.081 -6.723 721 HB2 LEU2103 1HB LEU2103 5.008 4.551 -4.158 722 HB3 LEU2103 2HB LEU2103 5.545 2.864 -4.263 723 HG LEU2103 HG LEU2103 6.788 3.712 -6.417 724 HD11 LEU2103 1HD1 LEU2103 5.821 5.927 -6.510 725 HD12 LEU2103 2HD1 LEU2103 6.409 6.290 -4.870 726 HD13 LEU2103 3HD1 LEU2103 7.570 6.048 -6.198 727 HD21 LEU2103 3HD2 LEU2103 7.586 4.020 -3.538 728 HD22 LEU2103 1HD2 LEU2103 8.123 2.832 -4.749 729 HD23 LEU2103 2HD2 LEU2103 8.699 4.513 -4.838 730 H TYR2104 H TYR2104 2.472 3.819 -3.910 731 HA TYR2104 HA TYR2104 1.921 1.222 -3.190 732 HB2 TYR2104 1HB TYR2104 0.396 3.877 -3.266 733 HB3 TYR2104 2HB TYR2104 -0.355 2.452 -2.541 734 HD1 TYR2104 1HD TYR2104 1.962 1.230 -1.138 735 HD2 TYR2104 2HD TYR2104 0.781 5.327 -1.480 736 HE1 TYR2104 1HE TYR2104 3.132 1.758 1.056 737 HE2 TYR2104 2HE TYR2104 1.955 5.842 0.715 738 HH TYR2104 HH TYR2104 3.685 3.283 2.476 739 H TYR2105 H TYR2105 -0.002 3.352 -5.431 740 HA TYR2105 HA TYR2105 -1.950 1.576 -6.106 741 HB2 TYR2105 1HB TYR2105 -1.141 4.086 -6.806 742 HB3 TYR2105 2HB TYR2105 -0.529 3.232 -8.227 743 HD1 TYR2105 1HD TYR2105 -2.846 1.149 -8.267 744 HD2 TYR2105 2HD TYR2105 -2.757 5.416 -7.982 745 HE1 TYR2105 1HE TYR2105 -5.159 1.275 -9.315 746 HE2 TYR2105 2HE TYR2105 -5.072 5.528 -9.028 747 HH TYR2105 HH TYR2105 -7.133 3.271 -9.080 748 H HIS2106 H HIS2106 1.431 1.733 -7.306 749 HA HIS2106 HA HIS2106 1.078 -0.025 -9.441 750 HB2 HIS2106 1HB HIS2106 3.161 1.451 -8.258 751 HB3 HIS2106 2HB HIS2106 3.711 -0.228 -8.270 752 HD1 HIS2106 1HD HIS2106 2.223 2.328 -10.712 753 HD2 HIS2106 2HD HIS2106 4.768 -1.003 -10.671 754 HE1 HIS2106 1HE HIS2106 3.138 2.097 -13.082 755 HE2 HIS2106 2HE HIS2106 4.698 0.030 -13.004 756 H VAL2107 H VAL2107 2.150 -0.573 -6.018 757 HA VAL2107 HA VAL2107 2.346 -3.379 -6.373 758 HB VAL2107 HB VAL2107 3.078 -3.406 -4.224 759 HG11 VAL2107 1HG1 VAL2107 4.526 -1.618 -3.901 760 HG12 VAL2107 2HG1 VAL2107 4.160 -1.496 -5.640 761 HG13 VAL2107 3HG1 VAL2107 3.345 -0.418 -4.480 762 HG21 VAL2107 3HG2 VAL2107 1.284 -1.065 -3.501 763 HG22 VAL2107 1HG2 VAL2107 0.871 -2.780 -3.260 764 HG23 VAL2107 2HG2 VAL2107 2.246 -2.065 -2.385 765 H PHE2108 H PHE2108 -0.116 -1.171 -4.888 766 HA PHE2108 HA PHE2108 -1.861 -3.175 -4.089 767 HB2 PHE2108 1HB PHE2108 -1.917 -0.237 -4.817 768 HB3 PHE2108 2HB PHE2108 -3.485 -1.036 -4.644 769 HD1 PHE2108 1HD PHE2108 -0.412 -0.022 -2.896 770 HD2 PHE2108 2HD PHE2108 -4.295 -1.682 -2.480 771 HE1 PHE2108 1HE PHE2108 -0.284 0.300 -0.409 772 HE2 PHE2108 2HE PHE2108 -4.168 -1.360 0.006 773 HZ PHE2108 HZ PHE2108 -2.163 -0.371 1.011 774 H ARG2109 H ARG2109 -1.253 -1.705 -7.267 775 HA ARG2109 HA ARG2109 -3.695 -2.612 -8.356 776 HB2 ARG2109 1HB ARG2109 -2.643 -0.697 -9.372 777 HB3 ARG2109 2HB ARG2109 -1.106 -1.553 -9.582 778 HG2 ARG2109 1HG ARG2109 -1.773 -2.243 -11.615 779 HG3 ARG2109 2HG ARG2109 -3.160 -3.082 -10.897 780 HD2 ARG2109 1HD ARG2109 -4.503 -1.036 -11.031 781 HD3 ARG2109 2HD ARG2109 -3.111 -0.111 -11.613 782 HE ARG2109 HE ARG2109 -4.827 -1.851 -13.182 783 HH11 ARG2109 2HH2 ARG2109 -1.505 -0.642 -12.939 784 HH12 ARG2109 1HH2 ARG2109 -1.167 -0.874 -14.622 785 H ARG2110 H ARG2110 -0.286 -3.756 -8.226 786 HA ARG2110 HA ARG2110 -0.532 -5.766 -10.092 787 HB2 ARG2110 1HB ARG2110 1.426 -4.806 -8.274 788 HB3 ARG2110 2HB ARG2110 1.258 -6.531 -7.909 789 HG2 ARG2110 1HG ARG2110 2.869 -6.555 -9.592 790 HG3 ARG2110 2HG ARG2110 1.391 -6.803 -10.539 791 HD2 ARG2110 1HD ARG2110 1.463 -4.672 -11.451 792 HD3 ARG2110 2HD ARG2110 2.282 -3.968 -10.047 793 HE ARG2110 HE ARG2110 4.360 -4.606 -10.968 794 HH11 ARG2110 2HH2 ARG2110 1.720 -6.062 -12.830 795 HH12 ARG2110 1HH2 ARG2110 2.751 -6.579 -14.123 796 H ILE2111 H ILE2111 -0.871 -5.818 -6.473 797 HA ILE2111 HA ILE2111 -1.311 -8.465 -6.074 798 HB ILE2111 HB ILE2111 -2.791 -7.680 -4.168 799 HG12 ILE2111 1HG1 ILE2111 -1.960 -4.954 -5.184 800 HG13 ILE2111 2HG1 ILE2111 -3.603 -5.615 -5.260 801 HG21 ILE2111 1HG2 ILE2111 -0.946 -7.136 -2.874 802 HG22 ILE2111 2HG2 ILE2111 -0.220 -8.017 -4.239 803 HG23 ILE2111 3HG2 ILE2111 -0.153 -6.238 -4.189 804 HD11 ILE2111 3HD1 ILE2111 -1.971 -4.849 -2.816 805 HD12 ILE2111 1HD1 ILE2111 -3.585 -4.274 -3.296 806 HD13 ILE2111 2HD1 ILE2111 -3.374 -5.935 -2.688 807 H SER2112 H SER2112 -3.588 -6.001 -7.357 808 HA SER2112 HA SER2112 -5.712 -7.902 -7.406 809 HB2 SER2112 1HB SER2112 -6.866 -6.018 -8.711 810 HB3 SER2112 2HB SER2112 -6.388 -5.647 -7.044 811 HG SER2112 HG SER2112 -5.652 -4.418 -9.373 812 H LYS2113 H LYS2113 -3.722 -6.099 -9.861 813 HA LYS2113 HA LYS2113 -4.718 -7.052 -12.157 814 HB2 LYS2113 1HB LYS2113 -2.281 -5.884 -11.264 815 HB3 LYS2113 2HB LYS2113 -1.875 -7.191 -12.391 816 HG2 LYS2113 1HG LYS2113 -4.076 -5.218 -13.039 817 HG3 LYS2113 2HG LYS2113 -2.382 -4.783 -13.328 818 HD2 LYS2113 1HD LYS2113 -3.320 -7.449 -14.325 819 HD3 LYS2113 2HD LYS2113 -3.911 -6.019 -15.188 820 HE2 LYS2113 1HE LYS2113 -1.783 -5.433 -15.929 821 HE3 LYS2113 2HE LYS2113 -0.967 -6.198 -14.558 822 HZ1 LYS2113 2HZ LYS2113 -2.251 -8.229 -15.936 823 HZ3 LYS2113 1HZ LYS2113 -0.649 -7.941 -15.919 824 H GLN2114 H GLN2114 -5.344 -9.043 -12.778 825 HA GLN2114 HA GLN2114 -4.209 -11.311 -11.503 826 HB2 GLN2114 1HB GLN2114 -5.797 -12.586 -12.910 827 HB3 GLN2114 2HB GLN2114 -6.601 -11.244 -12.077 828 HG2 GLN2114 1HG GLN2114 -6.638 -9.919 -14.084 829 HG3 GLN2114 2HG GLN2114 -5.535 -11.019 -14.923 830 HE21 GLN2114 1HE2 GLN2114 -8.248 -10.054 -15.563 831 HE22 GLN2114 2HE2 GLN2114 -9.237 -11.458 -15.796 Start of MODEL 8 1 H MET2014 H MET2014 5.324 -19.892 -8.854 2 HA MET2014 HA MET2014 4.275 -17.209 -8.672 3 HB2 MET2014 1HB MET2014 5.794 -18.406 -11.022 4 HB3 MET2014 2HB MET2014 4.597 -17.127 -11.294 5 HG2 MET2014 1HG MET2014 6.204 -16.232 -9.134 6 HG3 MET2014 2HG MET2014 7.338 -16.924 -10.298 7 HE1 MET2014 3HE MET2014 6.345 -14.200 -8.985 8 HE2 MET2014 1HE MET2014 6.557 -12.925 -10.209 9 HE3 MET2014 2HE MET2014 4.929 -13.538 -9.834 10 H GLU2015 H GLU2015 2.141 -17.750 -8.343 11 HA GLU2015 HA GLU2015 1.051 -19.737 -10.178 12 HB2 GLU2015 1HB GLU2015 0.231 -18.951 -7.363 13 HB3 GLU2015 2HB GLU2015 -0.786 -19.960 -8.406 14 HG2 GLU2015 1HG GLU2015 1.610 -21.252 -8.644 15 HG3 GLU2015 2HG GLU2015 1.771 -20.611 -7.003 16 HE2 GLU2015 HE GLU2015 0.093 -23.490 -6.107 17 H LEU2016 H LEU2016 1.186 -16.413 -9.381 18 HA LEU2016 HA LEU2016 -0.002 -14.634 -9.938 19 HB2 LEU2016 1HB LEU2016 -0.353 -16.511 -12.204 20 HB3 LEU2016 2HB LEU2016 -1.370 -15.061 -12.185 21 HG LEU2016 HG LEU2016 1.083 -13.982 -11.702 22 HD11 LEU2016 1HD1 LEU2016 1.564 -16.340 -13.544 23 HD12 LEU2016 2HD1 LEU2016 2.700 -15.002 -13.237 24 HD13 LEU2016 3HD1 LEU2016 2.248 -16.109 -11.916 25 HD21 LEU2016 3HD2 LEU2016 1.065 -13.266 -14.032 26 HD22 LEU2016 1HD2 LEU2016 -0.114 -14.539 -14.429 27 HD23 LEU2016 2HD2 LEU2016 -0.574 -13.211 -13.337 28 H ILE2017 H ILE2017 -1.132 -15.934 -7.834 29 HA ILE2017 HA ILE2017 -3.996 -15.769 -8.471 30 HB ILE2017 HB ILE2017 -2.522 -17.667 -6.658 31 HG12 ILE2017 1HG1 ILE2017 -4.336 -17.987 -9.048 32 HG13 ILE2017 2HG1 ILE2017 -2.639 -18.475 -8.894 33 HG21 ILE2017 1HG2 ILE2017 -4.417 -16.727 -5.414 34 HG22 ILE2017 2HG2 ILE2017 -5.510 -17.173 -6.746 35 HG23 ILE2017 3HG2 ILE2017 -4.673 -18.442 -5.820 36 HD11 ILE2017 3HD1 ILE2017 -5.125 -19.797 -7.885 37 HD12 ILE2017 1HD1 ILE2017 -3.605 -20.522 -8.461 38 HD13 ILE2017 2HD1 ILE2017 -3.708 -19.863 -6.812 39 H ARG2018 H ARG2018 -5.274 -14.516 -7.108 40 HA ARG2018 HA ARG2018 -3.791 -13.217 -4.967 41 HB2 ARG2018 1HB ARG2018 -5.303 -11.190 -5.472 42 HB3 ARG2018 2HB ARG2018 -4.032 -11.527 -6.661 43 HG2 ARG2018 1HG ARG2018 -6.607 -12.926 -7.140 44 HG3 ARG2018 2HG ARG2018 -6.700 -11.159 -7.264 45 HD2 ARG2018 1HD ARG2018 -5.110 -11.093 -9.024 46 HD3 ARG2018 2HD ARG2018 -4.495 -12.714 -8.666 47 HE ARG2018 HE ARG2018 -6.268 -13.631 -9.906 48 HH11 ARG2018 2HH2 ARG2018 -6.902 -10.194 -9.325 49 HH12 ARG2018 1HH2 ARG2018 -8.252 -10.132 -10.406 50 H VAL2019 H VAL2019 -4.844 -15.098 -3.741 51 HA VAL2019 HA VAL2019 -7.452 -15.654 -3.508 52 HB VAL2019 HB VAL2019 -5.847 -16.859 -2.275 53 HG11 VAL2019 1HG1 VAL2019 -4.127 -15.248 -1.906 54 HG12 VAL2019 2HG1 VAL2019 -5.194 -14.236 -0.902 55 HG13 VAL2019 3HG1 VAL2019 -4.646 -15.819 -0.301 56 HG21 VAL2019 3HG2 VAL2019 -6.730 -16.531 0.169 57 HG22 VAL2019 1HG2 VAL2019 -7.856 -15.383 -0.593 58 HG23 VAL2019 2HG2 VAL2019 -7.838 -17.086 -1.110 59 HA PRO2020 HA PRO2020 -9.426 -12.054 -2.138 60 HB2 PRO2020 1HB PRO2020 -11.797 -13.113 -1.291 61 HB3 PRO2020 2HB PRO2020 -11.447 -12.763 -2.982 62 HG2 PRO2020 1HG PRO2020 -11.483 -15.339 -1.545 63 HG3 PRO2020 2HG PRO2020 -11.605 -15.040 -3.315 64 HD2 PRO2020 1HD PRO2020 -9.361 -16.004 -1.822 65 HD3 PRO2020 2HD PRO2020 -9.380 -15.575 -3.539 66 H ILE2021 H ILE2021 -10.816 -14.289 0.168 67 HA ILE2021 HA ILE2021 -10.420 -12.528 2.291 68 HB ILE2021 HB ILE2021 -11.035 -14.445 3.694 69 HG12 ILE2021 1HG1 ILE2021 -11.743 -16.432 1.889 70 HG13 ILE2021 2HG1 ILE2021 -10.114 -15.954 1.376 71 HG21 ILE2021 1HG2 ILE2021 -12.930 -14.738 1.448 72 HG22 ILE2021 2HG2 ILE2021 -13.204 -14.247 3.137 73 HG23 ILE2021 3HG2 ILE2021 -12.593 -13.067 1.953 74 HD11 ILE2021 3HD1 ILE2021 -11.035 -17.254 3.909 75 HD12 ILE2021 1HD1 ILE2021 -9.507 -17.454 3.016 76 HD13 ILE2021 2HD1 ILE2021 -9.743 -16.040 4.072 77 H LEU2022 H LEU2022 -8.195 -11.810 2.050 78 HA LEU2022 HA LEU2022 -6.453 -13.282 3.717 79 HB2 LEU2022 1HB LEU2022 -6.442 -14.114 1.072 80 HB3 LEU2022 2HB LEU2022 -5.037 -13.040 1.197 81 HG LEU2022 HG LEU2022 -4.294 -15.260 1.599 82 HD11 LEU2022 1HD1 LEU2022 -3.075 -13.898 3.012 83 HD12 LEU2022 2HD1 LEU2022 -4.478 -13.523 4.043 84 HD13 LEU2022 3HD1 LEU2022 -3.708 -15.126 4.137 85 HD21 LEU2022 3HD2 LEU2022 -6.562 -16.188 2.118 86 HD22 LEU2022 1HD2 LEU2022 -5.252 -16.802 3.155 87 HD23 LEU2022 2HD2 LEU2022 -6.374 -15.570 3.776 88 H TRP2023 H TRP2023 -4.004 -12.084 2.663 89 HA TRP2023 HA TRP2023 -4.136 -9.620 3.914 90 HB2 TRP2023 1HB TRP2023 -2.204 -11.019 2.140 91 HB3 TRP2023 2HB TRP2023 -1.982 -9.286 2.390 92 HD1 TRP2023 HD TRP2023 -3.371 -10.936 5.464 93 HE1 TRP2023 1HE TRP2023 -1.555 -11.279 7.347 94 HE3 TRP2023 3HE TRP2023 0.638 -9.885 2.518 95 HZ2 TRP2023 2HZ TRP2023 1.293 -11.074 7.391 96 HZ3 TRP2023 3HZ TRP2023 2.901 -9.978 3.559 97 HH2 TRP2023 HH TRP2023 3.263 -10.549 5.908 98 H HIS2024 H HIS2024 -4.282 -10.531 0.406 99 HA HIS2024 HA HIS2024 -4.343 -8.065 -0.706 100 HB2 HIS2024 1HB HIS2024 -6.206 -10.230 -1.644 101 HB3 HIS2024 2HB HIS2024 -5.283 -9.064 -2.603 102 HD1 HIS2024 1HD HIS2024 -5.296 -12.384 -2.611 103 HD2 HIS2024 2HD HIS2024 -2.284 -9.772 -1.305 104 HE1 HIS2024 1HE HIS2024 -3.111 -13.700 -2.719 105 HE2 HIS2024 2HE HIS2024 -1.287 -12.046 -1.903 106 H GLU2025 H GLU2025 -6.747 -9.578 1.366 107 HA GLU2025 HA GLU2025 -8.902 -7.983 0.528 108 HB2 GLU2025 1HB GLU2025 -9.077 -10.175 1.739 109 HB3 GLU2025 2HB GLU2025 -8.508 -9.372 3.213 110 HG2 GLU2025 1HG GLU2025 -10.458 -7.734 2.890 111 HG3 GLU2025 2HG GLU2025 -11.075 -8.842 1.655 112 HE2 GLU2025 HE GLU2025 -12.749 -10.328 4.267 113 H MET2026 H MET2026 -6.243 -7.620 2.874 114 HA MET2026 HA MET2026 -7.441 -5.420 4.191 115 HB2 MET2026 1HB MET2026 -5.486 -5.459 5.505 116 HB3 MET2026 2HB MET2026 -5.513 -7.129 4.913 117 HG2 MET2026 1HG MET2026 -3.317 -6.554 4.409 118 HG3 MET2026 2HG MET2026 -4.097 -6.066 2.900 119 HE1 MET2026 3HE MET2026 -1.539 -5.252 3.412 120 HE2 MET2026 1HE MET2026 -1.310 -3.497 3.614 121 HE3 MET2026 2HE MET2026 -1.284 -4.567 5.037 122 H TRP2027 H TRP2027 -5.366 -5.890 1.347 123 HA TRP2027 HA TRP2027 -4.445 -3.206 1.218 124 HB2 TRP2027 1HB TRP2027 -4.561 -5.444 -0.799 125 HB3 TRP2027 2HB TRP2027 -3.841 -3.868 -1.129 126 HD1 TRP2027 HD TRP2027 -3.312 -6.870 1.306 127 HE1 TRP2027 1HE TRP2027 -0.774 -7.064 2.004 128 HE3 TRP2027 3HE TRP2027 -1.789 -2.650 -1.088 129 HZ2 TRP2027 2HZ TRP2027 1.532 -5.464 1.489 130 HZ3 TRP2027 3HZ TRP2027 0.623 -2.037 -0.940 131 HH2 TRP2027 HH TRP2027 2.262 -3.367 0.295 132 H HIS2028 H HIS2028 -7.039 -5.134 -0.444 133 HA HIS2028 HA HIS2028 -8.002 -3.064 -1.998 134 HB2 HIS2028 1HB HIS2028 -8.919 -4.966 -2.727 135 HB3 HIS2028 2HB HIS2028 -8.893 -5.727 -1.131 136 HD1 HIS2028 1HD HIS2028 -11.067 -3.738 -3.459 137 HD2 HIS2028 2HD HIS2028 -11.254 -5.345 0.412 138 HE1 HIS2028 1HE HIS2028 -13.515 -3.614 -2.750 139 HE2 HIS2028 2HE HIS2028 -13.577 -4.613 -0.359 140 H GLU2029 H GLU2029 -9.248 -4.273 1.199 141 HA GLU2029 HA GLU2029 -11.065 -2.168 1.439 142 HB2 GLU2029 1HB GLU2029 -11.426 -2.984 3.688 143 HB3 GLU2029 2HB GLU2029 -11.213 -4.385 2.621 144 HG2 GLU2029 1HG GLU2029 -9.744 -5.033 4.253 145 HG3 GLU2029 2HG GLU2029 -8.624 -3.975 3.381 146 HE2 GLU2029 HE GLU2029 -8.169 -2.273 6.310 147 H GLY2030 H GLY2030 -7.654 -2.624 2.396 148 HA2 GLY2030 2HA GLY2030 -7.412 -0.514 4.215 149 HA3 GLY2030 3HA GLY2030 -6.129 -1.215 3.253 150 H LEU2031 H LEU2031 -6.363 -0.588 0.728 151 HA LEU2031 HA LEU2031 -5.871 2.136 0.580 152 HB2 LEU2031 1HB LEU2031 -5.364 0.055 -0.970 153 HB3 LEU2031 2HB LEU2031 -6.788 0.658 -1.835 154 HG LEU2031 HG LEU2031 -5.717 2.743 -2.292 155 HD11 LEU2031 1HD1 LEU2031 -3.164 2.834 -1.479 156 HD12 LEU2031 2HD1 LEU2031 -4.512 3.511 -0.534 157 HD13 LEU2031 3HD1 LEU2031 -3.860 1.905 -0.129 158 HD21 LEU2031 3HD2 LEU2031 -4.670 0.249 -3.161 159 HD22 LEU2031 1HD2 LEU2031 -4.688 1.810 -4.016 160 HD23 LEU2031 2HD2 LEU2031 -3.306 1.379 -2.981 161 H GLU2032 H GLU2032 -8.875 0.237 0.153 162 HA GLU2032 HA GLU2032 -10.402 2.124 -1.077 163 HB2 GLU2032 1HB GLU2032 -10.908 -0.189 0.741 164 HB3 GLU2032 2HB GLU2032 -12.255 0.943 0.520 165 HG2 GLU2032 1HG GLU2032 -10.694 -0.284 -1.788 166 HG3 GLU2032 2HG GLU2032 -12.161 -1.019 -1.125 167 HE2 GLU2032 HE GLU2032 -14.248 1.259 -2.640 168 H GLU2033 H GLU2033 -9.972 1.587 2.493 169 HA GLU2033 HA GLU2033 -11.577 3.712 3.239 170 HB2 GLU2033 1HB GLU2033 -10.479 1.704 4.579 171 HB3 GLU2033 2HB GLU2033 -9.213 2.895 4.923 172 HG2 GLU2033 1HG GLU2033 -12.144 2.940 5.675 173 HG3 GLU2033 2HG GLU2033 -10.735 3.150 6.725 174 HE2 GLU2033 HE GLU2033 -10.596 6.535 6.207 175 H ALA2034 H ALA2034 -7.981 3.474 2.819 176 HA ALA2034 HA ALA2034 -7.358 6.052 3.584 177 HB1 ALA2034 3HB ALA2034 -5.582 4.527 3.318 178 HB2 ALA2034 1HB ALA2034 -6.123 4.037 1.693 179 HB3 ALA2034 2HB ALA2034 -5.383 5.637 1.942 180 H SER2035 H SER2035 -8.504 4.739 0.434 181 HA SER2035 HA SER2035 -8.150 7.190 -0.901 182 HB2 SER2035 1HB SER2035 -9.070 4.498 -1.503 183 HB3 SER2035 2HB SER2035 -10.129 5.696 -2.269 184 HG SER2035 HG SER2035 -8.498 5.390 -3.743 185 H ARG2036 H ARG2036 -11.032 5.417 0.427 186 HA ARG2036 HA ARG2036 -12.953 7.155 -0.295 187 HB2 ARG2036 1HB ARG2036 -12.717 4.954 1.434 188 HB3 ARG2036 2HB ARG2036 -13.341 6.240 2.480 189 HG2 ARG2036 1HG ARG2036 -15.229 6.606 1.008 190 HG3 ARG2036 2HG ARG2036 -14.555 5.530 -0.228 191 HD2 ARG2036 1HD ARG2036 -15.814 3.904 0.728 192 HD3 ARG2036 2HD ARG2036 -14.640 3.913 2.054 193 HE ARG2036 HE ARG2036 -16.356 5.962 2.727 194 HH11 ARG2036 2HH2 ARG2036 -16.893 2.572 1.847 195 HH12 ARG2036 1HH2 ARG2036 -18.336 2.425 2.792 196 H LEU2037 H LEU2037 -10.932 7.230 2.725 197 HA LEU2037 HA LEU2037 -12.109 9.615 3.685 198 HB2 LEU2037 1HB LEU2037 -10.500 9.523 5.389 199 HB3 LEU2037 2HB LEU2037 -10.998 7.856 5.051 200 HG LEU2037 HG LEU2037 -8.834 7.917 3.506 201 HD11 LEU2037 1HD1 LEU2037 -8.254 10.224 3.816 202 HD12 LEU2037 2HD1 LEU2037 -8.274 10.046 5.587 203 HD13 LEU2037 3HD1 LEU2037 -7.025 9.220 4.624 204 HD21 LEU2037 3HD2 LEU2037 -7.539 7.271 5.722 205 HD22 LEU2037 1HD2 LEU2037 -9.177 7.338 6.417 206 HD23 LEU2037 2HD2 LEU2037 -8.831 6.242 5.058 207 H TYR2038 H TYR2038 -9.118 8.839 1.817 208 HA TYR2038 HA TYR2038 -7.994 11.351 1.798 209 HB2 TYR2038 1HB TYR2038 -6.835 9.431 0.889 210 HB3 TYR2038 2HB TYR2038 -8.213 8.974 -0.118 211 HD1 TYR2038 1HD TYR2038 -5.836 11.858 0.300 212 HD2 TYR2038 2HD TYR2038 -8.022 9.356 -2.396 213 HE1 TYR2038 1HE TYR2038 -4.775 13.051 -1.679 214 HE2 TYR2038 2HE TYR2038 -6.953 10.557 -4.366 215 HH TYR2038 HH TYR2038 -5.902 12.533 -4.911 216 H PHE2039 H PHE2039 -10.425 9.929 -0.488 217 HA PHE2039 HA PHE2039 -10.575 12.366 -1.969 218 HB2 PHE2039 1HB PHE2039 -12.126 9.730 -1.787 219 HB3 PHE2039 2HB PHE2039 -12.621 10.998 -2.913 220 HD1 PHE2039 2HD PHE2039 -10.558 11.899 -4.395 221 HD2 PHE2039 1HD PHE2039 -10.820 8.050 -2.627 222 HE1 PHE2039 2HE PHE2039 -8.931 11.011 -6.089 223 HE2 PHE2039 1HE PHE2039 -9.193 7.162 -4.320 224 HZ PHE2039 HZ PHE2039 -8.269 8.653 -6.030 225 H GLY2040 H GLY2040 -12.617 10.644 0.470 226 HA2 GLY2040 2HA GLY2040 -14.674 12.655 0.397 227 HA3 GLY2040 3HA GLY2040 -14.543 11.289 1.486 228 H GLU2041 H GLU2041 -12.712 11.439 3.197 229 HA GLU2041 HA GLU2041 -13.159 13.623 4.756 230 HB2 GLU2041 1HB GLU2041 -12.193 11.405 5.449 231 HB3 GLU2041 2HB GLU2041 -10.634 11.917 4.779 232 HG2 GLU2041 1HG GLU2041 -10.522 12.416 7.105 233 HG3 GLU2041 2HG GLU2041 -10.826 13.975 6.325 234 HE2 GLU2041 HE GLU2041 -13.676 12.242 8.553 235 H ARG2042 H ARG2042 -11.155 13.336 1.933 236 HA ARG2042 HA ARG2042 -9.832 14.696 0.901 237 HB2 ARG2042 1HB ARG2042 -11.484 16.539 2.554 238 HB3 ARG2042 2HB ARG2042 -9.980 17.250 1.943 239 HG2 ARG2042 1HG ARG2042 -12.129 15.868 0.282 240 HG3 ARG2042 2HG ARG2042 -11.855 17.618 0.360 241 HD2 ARG2042 1HD ARG2042 -9.413 16.995 -0.399 242 HD3 ARG2042 2HD ARG2042 -10.137 15.464 -0.913 243 HE ARG2042 HE ARG2042 -11.832 17.291 -2.036 244 HH11 ARG2042 2HH2 ARG2042 -8.295 17.074 -2.045 245 HH12 ARG2042 1HH2 ARG2042 -8.127 17.855 -3.583 246 H ASN2043 H ASN2043 -8.959 13.323 3.444 247 HA ASN2043 HA ASN2043 -6.744 15.117 4.062 248 HB2 ASN2043 1HB ASN2043 -8.605 13.644 5.811 249 HB3 ASN2043 2HB ASN2043 -6.914 13.278 6.192 250 HD21 ASN2043 1HD2 ASN2043 -8.138 16.263 4.783 251 HD22 ASN2043 2HD2 ASN2043 -7.789 17.315 6.112 252 H VAL2044 H VAL2044 -4.786 14.229 3.384 253 HA VAL2044 HA VAL2044 -4.737 11.524 2.449 254 HB VAL2044 HB VAL2044 -2.435 12.075 1.820 255 HG11 VAL2044 1HG1 VAL2044 -3.188 14.344 0.543 256 HG12 VAL2044 2HG1 VAL2044 -3.703 12.712 0.050 257 HG13 VAL2044 3HG1 VAL2044 -4.780 13.723 1.044 258 HG21 VAL2044 3HG2 VAL2044 -2.358 14.880 2.324 259 HG22 VAL2044 1HG2 VAL2044 -2.703 14.062 3.866 260 HG23 VAL2044 2HG2 VAL2044 -1.261 13.613 2.924 261 H LYS2045 H LYS2045 -3.839 13.311 5.373 262 HA LYS2045 HA LYS2045 -1.931 11.699 6.459 263 HB2 LYS2045 1HB LYS2045 -3.181 12.363 8.671 264 HB3 LYS2045 2HB LYS2045 -2.338 13.580 7.698 265 HG2 LYS2045 1HG LYS2045 -5.160 13.067 6.922 266 HG3 LYS2045 2HG LYS2045 -4.956 13.778 8.530 267 HD2 LYS2045 1HD LYS2045 -3.365 14.955 6.279 268 HD3 LYS2045 2HD LYS2045 -5.108 15.270 6.280 269 HE2 LYS2045 1HE LYS2045 -3.081 15.937 8.449 270 HE3 LYS2045 2HE LYS2045 -4.041 17.076 7.495 271 HZ1 LYS2045 2HZ LYS2045 -5.927 15.526 8.657 272 HZ3 LYS2045 1HZ LYS2045 -5.432 16.954 9.262 273 H GLY2046 H GLY2046 -5.483 11.175 6.281 274 HA2 GLY2046 2HA GLY2046 -5.675 8.967 7.960 275 HA3 GLY2046 3HA GLY2046 -6.726 9.332 6.608 276 H MET2047 H MET2047 -5.110 9.116 4.369 277 HA MET2047 HA MET2047 -5.065 6.428 3.934 278 HB2 MET2047 1HB MET2047 -5.041 7.834 2.026 279 HB3 MET2047 2HB MET2047 -3.718 8.836 2.651 280 HG2 MET2047 1HG MET2047 -3.224 5.915 2.036 281 HG3 MET2047 2HG MET2047 -3.275 7.075 0.706 282 HE1 MET2047 3HE MET2047 -2.421 9.427 1.251 283 HE2 MET2047 1HE MET2047 -1.668 9.738 2.834 284 HE3 MET2047 2HE MET2047 -0.653 9.577 1.382 285 H PHE2048 H PHE2048 -2.369 8.617 4.939 286 HA PHE2048 HA PHE2048 -0.369 6.659 4.786 287 HB2 PHE2048 1HB PHE2048 -0.846 9.275 6.296 288 HB3 PHE2048 2HB PHE2048 0.666 8.390 6.515 289 HD1 PHE2048 2HD PHE2048 1.158 7.466 3.743 290 HD2 PHE2048 1HD PHE2048 -0.208 11.214 5.190 291 HE1 PHE2048 2HE PHE2048 2.096 8.593 1.706 292 HE2 PHE2048 1HE PHE2048 0.729 12.342 3.153 293 HZ PHE2048 HZ PHE2048 1.870 11.018 1.435 294 H GLU2049 H GLU2049 -2.686 7.623 7.348 295 HA GLU2049 HA GLU2049 -1.364 6.085 9.325 296 HB2 GLU2049 1HB GLU2049 -4.174 7.252 9.267 297 HB3 GLU2049 2HB GLU2049 -3.366 6.614 10.707 298 HG2 GLU2049 1HG GLU2049 -1.932 8.713 9.110 299 HG3 GLU2049 2HG GLU2049 -3.330 9.237 10.062 300 HE2 GLU2049 HE GLU2049 -1.068 9.552 12.637 301 H VAL2050 H VAL2050 -3.390 5.350 6.652 302 HA VAL2050 HA VAL2050 -4.640 3.062 7.892 303 HB VAL2050 HB VAL2050 -4.668 4.328 5.163 304 HG11 VAL2050 1HG1 VAL2050 -4.769 2.107 4.485 305 HG12 VAL2050 2HG1 VAL2050 -5.613 1.583 5.962 306 HG13 VAL2050 3HG1 VAL2050 -6.488 2.506 4.717 307 HG21 VAL2050 3HG2 VAL2050 -6.496 5.349 5.927 308 HG22 VAL2050 1HG2 VAL2050 -7.244 3.784 6.321 309 HG23 VAL2050 2HG2 VAL2050 -6.221 4.609 7.521 310 H LEU2051 H LEU2051 -2.012 3.816 5.538 311 HA LEU2051 HA LEU2051 -1.435 1.046 5.130 312 HB2 LEU2051 1HB LEU2051 0.079 3.546 4.392 313 HB3 LEU2051 2HB LEU2051 0.464 1.910 3.835 314 HG LEU2051 HG LEU2051 -1.039 2.018 2.191 315 HD11 LEU2051 1HD1 LEU2051 -2.831 1.674 3.936 316 HD12 LEU2051 2HD1 LEU2051 -3.072 3.438 3.921 317 HD13 LEU2051 3HD1 LEU2051 -3.350 2.489 2.442 318 HD21 LEU2051 3HD2 LEU2051 -1.702 4.879 2.732 319 HD22 LEU2051 1HD2 LEU2051 -0.001 4.443 2.441 320 HD23 LEU2051 2HD2 LEU2051 -1.239 4.071 1.214 321 H GLU2052 H GLU2052 -0.004 3.789 6.996 322 HA GLU2052 HA GLU2052 2.258 2.818 7.878 323 HB2 GLU2052 1HB GLU2052 0.229 4.588 8.932 324 HB3 GLU2052 2HB GLU2052 0.989 3.708 10.268 325 HG2 GLU2052 1HG GLU2052 2.941 4.632 8.279 326 HG3 GLU2052 2HG GLU2052 2.009 5.974 8.957 327 HE2 GLU2052 HE GLU2052 4.814 4.236 11.085 328 HA PRO2053 HA PRO2053 0.168 -0.087 10.985 329 HB2 PRO2053 1HB PRO2053 -2.544 -0.420 10.941 330 HB3 PRO2053 2HB PRO2053 -1.727 0.695 12.033 331 HG2 PRO2053 1HG PRO2053 -3.239 1.230 9.557 332 HG3 PRO2053 2HG PRO2053 -2.837 2.366 10.895 333 HD2 PRO2053 1HD PRO2053 -1.650 2.185 8.294 334 HD3 PRO2053 2HD PRO2053 -1.113 3.213 9.630 335 H LEU2054 H LEU2054 -1.879 -0.133 8.106 336 HA LEU2054 HA LEU2054 -2.114 -2.843 7.874 337 HB2 LEU2054 1HB LEU2054 -2.038 -0.587 5.918 338 HB3 LEU2054 2HB LEU2054 -2.155 -2.258 5.336 339 HG LEU2054 HG LEU2054 -4.097 -0.848 7.188 340 HD11 LEU2054 1HD1 LEU2054 -4.275 -1.591 4.260 341 HD12 LEU2054 2HD1 LEU2054 -5.666 -1.096 5.253 342 HD13 LEU2054 3HD1 LEU2054 -4.320 0.037 4.978 343 HD21 LEU2054 3HD2 LEU2054 -5.174 -3.244 6.080 344 HD22 LEU2054 1HD2 LEU2054 -3.607 -3.631 6.833 345 HD23 LEU2054 2HD2 LEU2054 -4.880 -2.831 7.787 346 H HIS2055 H HIS2055 0.467 -0.755 6.391 347 HA HIS2055 HA HIS2055 1.915 -2.889 5.365 348 HB2 HIS2055 1HB HIS2055 2.673 -0.073 6.135 349 HB3 HIS2055 2HB HIS2055 3.817 -1.190 5.382 350 HD1 HIS2055 1HD HIS2055 3.383 1.201 3.736 351 HD2 HIS2055 2HD HIS2055 0.717 -2.034 3.576 352 HE1 HIS2055 1HE HIS2055 2.157 1.394 1.507 353 HE2 HIS2055 2HE HIS2055 0.523 -0.620 1.458 354 H ALA2056 H ALA2056 2.335 -1.018 8.450 355 HA ALA2056 HA ALA2056 4.518 -2.344 9.424 356 HB1 ALA2056 3HB ALA2056 2.079 -1.201 10.838 357 HB2 ALA2056 1HB ALA2056 3.568 -1.699 11.675 358 HB3 ALA2056 2HB ALA2056 3.615 -0.372 10.490 359 H MET2057 H MET2057 1.015 -3.218 9.800 360 HA MET2057 HA MET2057 1.340 -5.393 11.383 361 HB2 MET2057 1HB MET2057 -0.912 -5.347 11.036 362 HB3 MET2057 2HB MET2057 -0.685 -4.229 9.677 363 HG2 MET2057 1HG MET2057 -0.410 -6.108 8.131 364 HG3 MET2057 2HG MET2057 -0.428 -7.267 9.464 365 HE1 MET2057 3HE MET2057 -2.449 -7.938 7.220 366 HE2 MET2057 1HE MET2057 -3.840 -6.844 7.035 367 HE3 MET2057 2HE MET2057 -2.196 -6.264 6.672 368 H MET2058 H MET2058 1.804 -5.107 7.836 369 HA MET2058 HA MET2058 1.990 -7.860 7.383 370 HB2 MET2058 1HB MET2058 3.129 -5.445 5.880 371 HB3 MET2058 2HB MET2058 3.055 -7.082 5.204 372 HG2 MET2058 1HG MET2058 0.456 -6.268 6.267 373 HG3 MET2058 2HG MET2058 1.045 -5.081 5.100 374 HE1 MET2058 3HE MET2058 -1.450 -6.620 4.922 375 HE2 MET2058 1HE MET2058 -1.550 -7.808 3.601 376 HE3 MET2058 2HE MET2058 -1.079 -8.332 5.235 377 H GLU2059 H GLU2059 4.302 -5.363 8.436 378 HA GLU2059 HA GLU2059 6.566 -6.990 7.912 379 HB2 GLU2059 1HB GLU2059 6.495 -4.626 9.803 380 HB3 GLU2059 2HB GLU2059 7.846 -5.189 8.804 381 HG2 GLU2059 1HG GLU2059 5.307 -3.762 7.942 382 HG3 GLU2059 2HG GLU2059 6.980 -3.243 7.701 383 HE2 GLU2059 HE GLU2059 7.381 -5.113 4.841 384 H ARG2060 H ARG2060 5.143 -5.695 11.011 385 HA ARG2060 HA ARG2060 6.596 -7.523 12.544 386 HB2 ARG2060 1HB ARG2060 5.183 -6.712 14.419 387 HB3 ARG2060 2HB ARG2060 5.763 -5.356 13.437 388 HG2 ARG2060 1HG ARG2060 3.571 -5.401 12.199 389 HG3 ARG2060 2HG ARG2060 3.000 -6.651 13.319 390 HD2 ARG2060 1HD ARG2060 3.990 -4.652 15.005 391 HD3 ARG2060 2HD ARG2060 3.229 -3.732 13.698 392 HE ARG2060 HE ARG2060 1.369 -5.703 14.322 393 HH11 ARG2060 2HH2 ARG2060 3.035 -3.198 16.196 394 HH12 ARG2060 1HH2 ARG2060 1.743 -3.020 17.338 395 H GLY2061 H GLY2061 3.605 -7.695 10.740 396 HA2 GLY2061 2HA GLY2061 2.861 -10.193 12.140 397 HA3 GLY2061 3HA GLY2061 1.732 -9.109 11.352 398 HA PRO2062 HA PRO2062 4.188 -11.464 8.021 399 HB2 PRO2062 1HB PRO2062 5.530 -13.716 8.791 400 HB3 PRO2062 2HB PRO2062 6.315 -12.153 8.575 401 HG2 PRO2062 1HG PRO2062 5.539 -13.561 11.048 402 HG3 PRO2062 2HG PRO2062 6.739 -12.237 10.841 403 HD2 PRO2062 1HD PRO2062 4.097 -12.089 11.935 404 HD3 PRO2062 2HD PRO2062 5.181 -10.731 11.605 405 H GLN2063 H GLN2063 4.305 -14.178 7.377 406 HA GLN2063 HA GLN2063 1.843 -15.251 8.373 407 HB2 GLN2063 1HB GLN2063 1.466 -13.636 6.294 408 HB3 GLN2063 2HB GLN2063 2.007 -15.050 5.368 409 HG2 GLN2063 1HG GLN2063 -0.186 -15.653 5.468 410 HG3 GLN2063 2HG GLN2063 0.205 -16.204 7.103 411 HE21 GLN2063 1HE2 GLN2063 -0.482 -15.070 8.862 412 HE22 GLN2063 2HE2 GLN2063 -1.613 -13.761 8.800 413 H THR2064 H THR2064 3.812 -15.715 5.350 414 HA THR2064 HA THR2064 5.097 -18.036 6.445 415 HB THR2064 HB THR2064 4.056 -19.553 4.666 416 HG1 THR2064 1HG THR2064 2.187 -17.291 4.663 417 HG21 THR2064 3HG2 THR2064 2.016 -19.999 5.868 418 HG22 THR2064 1HG2 THR2064 3.143 -19.385 7.100 419 HG23 THR2064 2HG2 THR2064 1.892 -18.314 6.426 420 H LEU2065 H LEU2065 6.278 -19.211 4.447 421 HA LEU2065 HA LEU2065 8.033 -17.262 3.469 422 HB2 LEU2065 1HB LEU2065 8.110 -19.921 3.861 423 HB3 LEU2065 2HB LEU2065 7.913 -19.876 2.100 424 HG LEU2065 HG LEU2065 10.256 -20.037 2.718 425 HD11 LEU2065 1HD1 LEU2065 11.004 -18.621 1.117 426 HD12 LEU2065 2HD1 LEU2065 9.258 -18.418 0.829 427 HD13 LEU2065 3HD1 LEU2065 10.148 -17.215 1.795 428 HD21 LEU2065 3HD2 LEU2065 9.563 -18.335 4.833 429 HD22 LEU2065 1HD2 LEU2065 11.173 -18.986 4.444 430 HD23 LEU2065 2HD2 LEU2065 10.679 -17.395 3.815 431 H LYS2066 H LYS2066 4.999 -18.612 2.269 432 HA LYS2066 HA LYS2066 5.399 -17.898 -0.437 433 HB2 LYS2066 1HB LYS2066 3.309 -19.045 1.237 434 HB3 LYS2066 2HB LYS2066 2.659 -17.964 -0.009 435 HG2 LYS2066 1HG LYS2066 2.773 -20.077 -1.064 436 HG3 LYS2066 2HG LYS2066 4.222 -19.242 -1.649 437 HD2 LYS2066 1HD LYS2066 5.572 -20.391 0.084 438 HD3 LYS2066 2HD LYS2066 4.123 -21.223 0.676 439 HE2 LYS2066 1HE LYS2066 4.857 -22.862 -0.749 440 HE3 LYS2066 2HE LYS2066 3.995 -21.901 -1.959 441 HZ1 LYS2066 2HZ LYS2066 6.320 -20.692 -2.059 442 HZ3 LYS2066 1HZ LYS2066 6.073 -22.060 -2.909 443 H GLU2067 H GLU2067 4.150 -16.232 2.473 444 HA GLU2067 HA GLU2067 3.266 -14.011 0.916 445 HB2 GLU2067 1HB GLU2067 3.060 -14.942 3.682 446 HB3 GLU2067 2HB GLU2067 3.373 -13.200 3.601 447 HG2 GLU2067 1HG GLU2067 1.197 -14.629 2.019 448 HG3 GLU2067 2HG GLU2067 0.914 -13.841 3.577 449 HE2 GLU2067 HE GLU2067 0.162 -11.508 0.875 450 H THR2068 H THR2068 6.216 -15.091 2.466 451 HA THR2068 HA THR2068 7.426 -12.666 3.069 452 HB THR2068 HB THR2068 8.353 -15.457 2.309 453 HG1 THR2068 1HG THR2068 7.494 -14.892 4.453 454 HG21 THR2068 3HG2 THR2068 10.654 -14.853 2.770 455 HG22 THR2068 1HG2 THR2068 10.092 -13.701 1.533 456 HG23 THR2068 2HG2 THR2068 10.190 -13.198 3.236 457 H SER2069 H SER2069 6.948 -14.310 -0.058 458 HA SER2069 HA SER2069 8.773 -12.626 -1.397 459 HB2 SER2069 1HB SER2069 7.998 -14.942 -2.116 460 HB3 SER2069 2HB SER2069 6.470 -14.198 -2.624 461 HG SER2069 HG SER2069 9.123 -13.553 -3.599 462 H PHE2070 H PHE2070 5.259 -12.614 -0.690 463 HA PHE2070 HA PHE2070 4.547 -10.603 -2.498 464 HB2 PHE2070 1HB PHE2070 2.932 -12.082 -1.370 465 HB3 PHE2070 2HB PHE2070 3.507 -11.582 0.224 466 HD1 PHE2070 2HD PHE2070 3.112 -9.138 0.888 467 HD2 PHE2070 1HD PHE2070 1.139 -10.997 -2.377 468 HE1 PHE2070 2HE PHE2070 1.329 -7.371 0.959 469 HE2 PHE2070 1HE PHE2070 -0.644 -9.231 -2.306 470 HZ PHE2070 HZ PHE2070 -0.527 -7.440 -0.638 471 H ASN2071 H ASN2071 5.487 -10.493 1.004 472 HA ASN2071 HA ASN2071 5.115 -7.751 1.232 473 HB2 ASN2071 1HB ASN2071 5.378 -9.503 3.099 474 HB3 ASN2071 2HB ASN2071 7.125 -9.435 2.809 475 HD21 ASN2071 1HD2 ASN2071 8.210 -8.107 4.029 476 HD22 ASN2071 2HD2 ASN2071 7.628 -6.673 4.809 477 H GLN2072 H GLN2072 7.729 -9.824 0.011 478 HA GLN2072 HA GLN2072 9.702 -7.782 0.156 479 HB2 GLN2072 1HB GLN2072 9.553 -10.584 -0.929 480 HB3 GLN2072 2HB GLN2072 10.896 -9.546 -1.436 481 HG2 GLN2072 1HG GLN2072 10.428 -9.398 1.452 482 HG3 GLN2072 2HG GLN2072 10.727 -11.065 0.935 483 HE21 GLN2072 1HE2 GLN2072 12.171 -8.507 2.191 484 HE22 GLN2072 2HE2 GLN2072 13.767 -8.605 1.528 485 H ALA2073 H ALA2073 7.828 -9.419 -2.489 486 HA ALA2073 HA ALA2073 8.805 -8.190 -4.669 487 HB1 ALA2073 3HB ALA2073 5.819 -8.414 -4.259 488 HB2 ALA2073 1HB ALA2073 6.779 -8.763 -5.714 489 HB3 ALA2073 2HB ALA2073 6.838 -9.873 -4.324 490 H TYR2074 H TYR2074 6.733 -6.764 -2.126 491 HA TYR2074 HA TYR2074 6.813 -4.220 -3.592 492 HB2 TYR2074 1HB TYR2074 5.180 -5.210 -1.180 493 HB3 TYR2074 2HB TYR2074 4.881 -3.708 -2.062 494 HD1 TYR2074 1HD TYR2074 4.885 -4.447 -4.844 495 HD2 TYR2074 2HD TYR2074 3.415 -6.666 -1.495 496 HE1 TYR2074 1HE TYR2074 3.270 -5.690 -6.365 497 HE2 TYR2074 2HE TYR2074 1.805 -7.900 -3.028 498 HH TYR2074 HH TYR2074 1.312 -8.347 -5.129 499 H GLY2075 H GLY2075 8.020 -5.977 -0.818 500 HA2 GLY2075 2HA GLY2075 8.414 -4.259 1.180 501 HA3 GLY2075 3HA GLY2075 9.669 -5.345 0.615 502 H ARG2076 H ARG2076 10.107 -4.155 -2.009 503 HA ARG2076 HA ARG2076 11.784 -2.044 -1.148 504 HB2 ARG2076 1HB ARG2076 12.551 -3.606 -2.866 505 HB3 ARG2076 2HB ARG2076 11.185 -3.194 -3.919 506 HG2 ARG2076 1HG ARG2076 13.195 -2.035 -4.681 507 HG3 ARG2076 2HG ARG2076 12.046 -0.842 -4.047 508 HD2 ARG2076 1HD ARG2076 13.684 -0.100 -2.685 509 HD3 ARG2076 2HD ARG2076 13.618 -1.645 -1.823 510 HE ARG2076 HE ARG2076 15.211 -1.726 -4.283 511 HH11 ARG2076 2HH2 ARG2076 15.288 -1.029 -0.809 512 HH12 ARG2076 1HH2 ARG2076 16.995 -1.287 -0.670 513 H ASP2077 H ASP2077 8.906 -2.399 -3.329 514 HA ASP2077 HA ASP2077 8.779 0.184 -4.193 515 HB2 ASP2077 1HB ASP2077 6.617 -1.866 -3.594 516 HB3 ASP2077 2HB ASP2077 6.238 -0.311 -4.349 517 HD2 ASP2077 HD ASP2077 7.572 -3.309 -6.503 518 H LEU2078 H LEU2078 6.991 -1.405 -1.434 519 HA LEU2078 HA LEU2078 5.723 0.832 -0.472 520 HB2 LEU2078 1HB LEU2078 6.714 -1.676 0.846 521 HB3 LEU2078 2HB LEU2078 5.801 -0.444 1.734 522 HG LEU2078 HG LEU2078 4.907 -2.298 -0.454 523 HD11 LEU2078 1HD1 LEU2078 2.919 -1.919 1.491 524 HD12 LEU2078 2HD1 LEU2078 3.997 -3.320 1.291 525 HD13 LEU2078 3HD1 LEU2078 4.458 -1.992 2.381 526 HD21 LEU2078 3HD2 LEU2078 2.737 -0.899 -0.434 527 HD22 LEU2078 1HD2 LEU2078 3.772 0.420 0.162 528 HD23 LEU2078 2HD2 LEU2078 4.112 -0.334 -1.414 529 H MET2079 H MET2079 9.077 -0.330 0.053 530 HA MET2079 HA MET2079 9.722 1.356 2.121 531 HB2 MET2079 1HB MET2079 11.057 -0.331 0.127 532 HB3 MET2079 2HB MET2079 12.028 1.114 0.456 533 HG2 MET2079 1HG MET2079 10.974 -0.879 2.516 534 HG3 MET2079 2HG MET2079 12.654 -0.710 1.998 535 HE1 MET2079 3HE MET2079 14.110 1.898 4.044 536 HE2 MET2079 1HE MET2079 14.223 0.540 2.900 537 HE3 MET2079 2HE MET2079 13.793 2.164 2.312 538 H GLU2080 H GLU2080 9.987 1.867 -1.458 539 HA GLU2080 HA GLU2080 11.191 4.343 -1.295 540 HB2 GLU2080 1HB GLU2080 11.084 3.008 -3.351 541 HB3 GLU2080 2HB GLU2080 9.328 3.227 -3.439 542 HG2 GLU2080 1HG GLU2080 9.538 5.549 -3.907 543 HG3 GLU2080 2HG GLU2080 11.224 5.603 -3.369 544 HE2 GLU2080 HE GLU2080 10.910 5.435 -7.062 545 H ALA2081 H ALA2081 7.683 3.498 -1.764 546 HA ALA2081 HA ALA2081 6.722 6.088 -1.742 547 HB1 ALA2081 3HB ALA2081 5.619 3.744 -2.230 548 HB2 ALA2081 1HB ALA2081 5.187 3.808 -0.503 549 HB3 ALA2081 2HB ALA2081 4.623 5.084 -1.611 550 H GLN2082 H GLN2082 7.417 3.806 0.964 551 HA GLN2082 HA GLN2082 6.294 5.259 2.979 552 HB2 GLN2082 1HB GLN2082 7.178 2.979 3.233 553 HB3 GLN2082 2HB GLN2082 8.837 3.572 3.047 554 HG2 GLN2082 1HG GLN2082 7.824 5.185 5.071 555 HG3 GLN2082 2HG GLN2082 7.048 3.630 5.403 556 HE21 GLN2082 1HE2 GLN2082 9.790 5.522 5.746 557 HE22 GLN2082 2HE2 GLN2082 10.923 4.331 6.289 558 H GLU2083 H GLU2083 9.492 5.626 1.377 559 HA GLU2083 HA GLU2083 10.458 7.502 3.215 560 HB2 GLU2083 1HB GLU2083 12.326 7.085 2.054 561 HB3 GLU2083 2HB GLU2083 11.392 6.153 0.872 562 HG2 GLU2083 1HG GLU2083 10.866 8.306 -0.317 563 HG3 GLU2083 2HG GLU2083 11.923 9.162 0.816 564 HE2 GLU2083 HE GLU2083 13.525 7.703 -2.338 565 H TRP2084 H TRP2084 8.529 7.703 0.203 566 HA TRP2084 HA TRP2084 8.756 10.537 -0.005 567 HB2 TRP2084 1HB TRP2084 6.879 8.546 -1.278 568 HB3 TRP2084 2HB TRP2084 6.935 10.264 -1.677 569 HD1 TRP2084 HD TRP2084 8.558 7.003 -2.581 570 HE1 TRP2084 1HE TRP2084 10.555 7.294 -4.282 571 HE3 TRP2084 3HE TRP2084 8.897 12.058 -2.133 572 HZ2 TRP2084 2HZ TRP2084 12.018 9.553 -5.229 573 HZ3 TRP2084 3HZ TRP2084 10.638 13.229 -3.481 574 HH2 TRP2084 HH TRP2084 12.165 12.060 -4.989 575 H CYS2085 H CYS2085 6.864 8.221 1.842 576 HA CYS2085 HA CYS2085 4.607 9.834 2.270 577 HB2 CYS2085 1HB CYS2085 4.336 7.543 2.672 578 HB3 CYS2085 2HB CYS2085 5.767 7.447 3.716 579 HG CYS2085 HG CYS2085 4.715 7.945 5.780 580 H ARG2086 H ARG2086 7.479 9.033 4.368 581 HA ARG2086 HA ARG2086 6.840 10.901 6.299 582 HB2 ARG2086 1HB ARG2086 9.030 10.458 7.203 583 HB3 ARG2086 2HB ARG2086 8.483 8.939 6.474 584 HG2 ARG2086 1HG ARG2086 9.745 10.196 4.355 585 HG3 ARG2086 2HG ARG2086 10.744 10.704 5.729 586 HD2 ARG2086 1HD ARG2086 10.986 8.319 6.404 587 HD3 ARG2086 2HD ARG2086 10.006 7.824 5.015 588 HE ARG2086 HE ARG2086 12.007 9.332 3.864 589 HH11 ARG2086 2HH2 ARG2086 12.049 6.589 6.106 590 HH12 ARG2086 1HH2 ARG2086 13.579 5.996 5.550 591 H LYS2087 H LYS2087 8.451 11.148 3.161 592 HA LYS2087 HA LYS2087 9.917 13.483 3.597 593 HB2 LYS2087 1HB LYS2087 9.285 11.723 1.446 594 HB3 LYS2087 2HB LYS2087 9.010 13.386 0.897 595 HG2 LYS2087 1HG LYS2087 11.242 14.015 1.318 596 HG3 LYS2087 2HG LYS2087 11.527 12.663 2.430 597 HD2 LYS2087 1HD LYS2087 11.876 11.152 0.708 598 HD3 LYS2087 2HD LYS2087 10.829 12.023 -0.429 599 HE2 LYS2087 1HE LYS2087 12.607 13.112 -1.289 600 HE3 LYS2087 2HE LYS2087 13.086 13.698 0.311 601 HZ1 LYS2087 2HZ LYS2087 14.657 12.097 0.441 602 HZ3 LYS2087 1HZ LYS2087 14.467 11.884 -1.163 603 H TYR2088 H TYR2088 6.598 13.002 2.198 604 HA TYR2088 HA TYR2088 6.078 15.767 2.028 605 HB2 TYR2088 1HB TYR2088 4.774 14.267 0.688 606 HB3 TYR2088 2HB TYR2088 4.593 13.104 2.004 607 HD1 TYR2088 1HD TYR2088 3.397 16.349 0.658 608 HD2 TYR2088 2HD TYR2088 2.729 13.225 3.505 609 HE1 TYR2088 1HE TYR2088 1.088 17.286 1.156 610 HE2 TYR2088 2HE TYR2088 0.422 14.174 3.994 611 HH TYR2088 HH TYR2088 -0.497 17.245 3.067 612 H MET2089 H MET2089 5.606 13.292 4.574 613 HA MET2089 HA MET2089 3.855 14.837 6.109 614 HB2 MET2089 1HB MET2089 5.703 12.473 6.592 615 HB3 MET2089 2HB MET2089 4.844 13.198 7.963 616 HG2 MET2089 1HG MET2089 2.883 12.898 5.957 617 HG3 MET2089 2HG MET2089 3.842 11.418 5.855 618 HE1 MET2089 3HE MET2089 0.514 11.374 7.233 619 HE2 MET2089 1HE MET2089 0.634 12.513 8.596 620 HE3 MET2089 2HE MET2089 1.112 13.028 6.959 621 H LYS2090 H LYS2090 7.439 14.281 6.287 622 HA LYS2090 HA LYS2090 7.837 15.915 8.524 623 HB2 LYS2090 1HB LYS2090 9.333 14.137 7.263 624 HB3 LYS2090 2HB LYS2090 9.976 15.580 6.461 625 HG2 LYS2090 1HG LYS2090 9.712 15.332 9.481 626 HG3 LYS2090 2HG LYS2090 11.176 14.839 8.613 627 HD2 LYS2090 1HD LYS2090 11.843 16.987 8.305 628 HD3 LYS2090 2HD LYS2090 10.214 17.541 7.877 629 HE2 LYS2090 1HE LYS2090 9.632 17.945 10.112 630 HE3 LYS2090 2HE LYS2090 10.845 16.824 10.750 631 HZ1 LYS2090 2HZ LYS2090 11.379 19.476 9.523 632 HZ3 LYS2090 1HZ LYS2090 12.552 18.435 9.966 633 H SER2091 H SER2091 8.386 16.590 4.991 634 HA SER2091 HA SER2091 7.190 19.046 5.052 635 HB2 SER2091 1HB SER2091 9.877 19.069 6.184 636 HB3 SER2091 2HB SER2091 9.791 20.109 4.750 637 HG SER2091 HG SER2091 7.835 20.226 6.870 638 H GLY2092 H GLY2092 6.737 17.451 3.148 639 HA2 GLY2092 2HA GLY2092 8.735 17.841 1.003 640 HA3 GLY2092 3HA GLY2092 7.614 16.497 1.121 641 H ASN2093 H ASN2093 6.169 16.668 -0.545 642 HA ASN2093 HA ASN2093 4.482 18.949 -0.573 643 HB2 ASN2093 1HB ASN2093 6.735 18.829 -2.391 644 HB3 ASN2093 2HB ASN2093 5.245 18.669 -3.337 645 HD21 ASN2093 1HD2 ASN2093 6.162 20.759 -4.133 646 HD22 ASN2093 2HD2 ASN2093 5.669 22.222 -3.347 647 H VAL2094 H VAL2094 2.758 18.592 -2.450 648 HA VAL2094 HA VAL2094 1.630 16.104 -2.185 649 HB VAL2094 HB VAL2094 0.854 18.465 -3.157 650 HG11 VAL2094 1HG1 VAL2094 0.994 16.804 -5.682 651 HG12 VAL2094 2HG1 VAL2094 0.539 18.514 -5.500 652 HG13 VAL2094 3HG1 VAL2094 2.230 18.013 -5.264 653 HG21 VAL2094 3HG2 VAL2094 -0.260 15.820 -2.954 654 HG22 VAL2094 1HG2 VAL2094 -1.072 17.397 -2.809 655 HG23 VAL2094 2HG2 VAL2094 -0.907 16.625 -4.403 656 H LYS2095 H LYS2095 4.091 17.290 -4.478 657 HA LYS2095 HA LYS2095 3.939 15.363 -6.414 658 HB2 LYS2095 1HB LYS2095 5.413 17.457 -6.209 659 HB3 LYS2095 2HB LYS2095 6.570 16.407 -5.373 660 HG2 LYS2095 1HG LYS2095 6.241 14.816 -7.422 661 HG3 LYS2095 2HG LYS2095 5.557 16.239 -8.230 662 HD2 LYS2095 1HD LYS2095 7.594 17.413 -8.146 663 HD3 LYS2095 2HD LYS2095 8.238 16.421 -6.825 664 HE2 LYS2095 1HE LYS2095 8.966 14.777 -8.252 665 HE3 LYS2095 2HE LYS2095 7.590 14.960 -9.352 666 HZ1 LYS2095 2HZ LYS2095 9.968 16.733 -9.195 667 HZ3 LYS2095 1HZ LYS2095 8.668 17.058 -10.120 668 H ASP2096 H ASP2096 5.703 15.239 -3.252 669 HA ASP2096 HA ASP2096 6.686 12.672 -3.704 670 HB2 ASP2096 1HB ASP2096 6.084 14.048 -1.051 671 HB3 ASP2096 2HB ASP2096 7.201 12.693 -1.284 672 HD2 ASP2096 HD ASP2096 9.772 14.868 -1.631 673 H LEU2097 H LEU2097 3.678 14.047 -2.336 674 HA LEU2097 HA LEU2097 2.773 11.698 -1.072 675 HB2 LEU2097 1HB LEU2097 2.085 14.199 -0.859 676 HB3 LEU2097 2HB LEU2097 0.934 13.800 -2.147 677 HG LEU2097 HG LEU2097 1.096 12.677 0.655 678 HD11 LEU2097 1HD1 LEU2097 -0.081 14.765 0.523 679 HD12 LEU2097 2HD1 LEU2097 -1.042 14.193 -0.863 680 HD13 LEU2097 3HD1 LEU2097 -1.268 13.457 0.743 681 HD21 LEU2097 3HD2 LEU2097 -0.602 11.653 -1.637 682 HD22 LEU2097 1HD2 LEU2097 0.739 10.793 -0.844 683 HD23 LEU2097 2HD2 LEU2097 -0.745 11.161 0.068 684 H THR2098 H THR2098 2.146 13.167 -4.322 685 HA THR2098 HA THR2098 0.372 11.187 -5.189 686 HB THR2098 HB THR2098 2.234 13.184 -6.550 687 HG1 THR2098 1HG THR2098 0.410 14.247 -5.838 688 HG21 THR2098 3HG2 THR2098 1.844 12.170 -8.559 689 HG22 THR2098 1HG2 THR2098 0.888 10.895 -7.767 690 HG23 THR2098 2HG2 THR2098 0.101 12.406 -8.284 691 H GLN2099 H GLN2099 3.960 11.389 -5.329 692 HA GLN2099 HA GLN2099 4.290 9.181 -6.951 693 HB2 GLN2099 1HB GLN2099 5.923 10.956 -5.369 694 HB3 GLN2099 2HB GLN2099 6.482 9.292 -5.119 695 HG2 GLN2099 1HG GLN2099 7.402 9.236 -7.179 696 HG3 GLN2099 2HG GLN2099 5.891 9.759 -7.938 697 HE21 GLN2099 1HE2 GLN2099 9.050 10.573 -6.995 698 HE22 GLN2099 2HE2 GLN2099 9.054 12.255 -7.410 699 H ALA2100 H ALA2100 4.018 9.497 -3.368 700 HA ALA2100 HA ALA2100 4.585 6.813 -2.794 701 HB1 ALA2100 3HB ALA2100 4.637 8.733 -1.188 702 HB2 ALA2100 1HB ALA2100 2.859 8.790 -1.251 703 HB3 ALA2100 2HB ALA2100 3.681 7.352 -0.598 704 H TRP2101 H TRP2101 1.565 8.589 -3.609 705 HA TRP2101 HA TRP2101 -0.134 6.384 -3.083 706 HB2 TRP2101 1HB TRP2101 -0.366 9.121 -3.871 707 HB3 TRP2101 2HB TRP2101 -1.322 8.127 -4.971 708 HD1 TRP2101 HD TRP2101 -1.499 9.672 -1.574 709 HE1 TRP2101 1HE TRP2101 -3.625 8.914 -0.207 710 HE3 TRP2101 3HE TRP2101 -2.766 5.833 -4.659 711 HZ2 TRP2101 2HZ TRP2101 -5.555 6.840 -0.561 712 HZ3 TRP2101 3HZ TRP2101 -4.785 4.491 -4.076 713 HH2 TRP2101 HH TRP2101 -6.160 4.943 -2.106 714 H ASP2102 H ASP2102 1.896 7.496 -5.777 715 HA ASP2102 HA ASP2102 0.618 5.997 -7.756 716 HB2 ASP2102 1HB ASP2102 2.579 7.899 -7.700 717 HB3 ASP2102 2HB ASP2102 3.567 6.456 -7.969 718 HD2 ASP2102 HD ASP2102 2.630 7.912 -11.161 719 H LEU2103 H LEU2103 3.613 5.510 -5.741 720 HA LEU2103 HA LEU2103 4.354 3.054 -6.766 721 HB2 LEU2103 1HB LEU2103 4.690 4.084 -3.953 722 HB3 LEU2103 2HB LEU2103 5.636 2.799 -4.724 723 HG LEU2103 HG LEU2103 5.595 5.492 -6.017 724 HD11 LEU2103 1HD1 LEU2103 5.961 5.576 -3.379 725 HD12 LEU2103 2HD1 LEU2103 7.609 5.103 -3.856 726 HD13 LEU2103 3HD1 LEU2103 6.889 6.595 -4.507 727 HD21 LEU2103 3HD2 LEU2103 8.179 4.583 -5.963 728 HD22 LEU2103 1HD2 LEU2103 7.251 3.064 -6.013 729 HD23 LEU2103 2HD2 LEU2103 7.010 4.297 -7.274 730 H TYR2104 H TYR2104 2.265 3.805 -3.892 731 HA TYR2104 HA TYR2104 1.708 1.203 -3.180 732 HB2 TYR2104 1HB TYR2104 0.050 3.793 -3.227 733 HB3 TYR2104 2HB TYR2104 -0.427 2.375 -2.287 734 HD1 TYR2104 1HD TYR2104 2.412 1.623 -1.363 735 HD2 TYR2104 2HD TYR2104 0.287 5.338 -1.430 736 HE1 TYR2104 1HE TYR2104 3.811 2.468 0.585 737 HE2 TYR2104 2HE TYR2104 1.694 6.168 0.519 738 HH TYR2104 HH TYR2104 4.054 5.619 1.397 739 H TYR2105 H TYR2105 -0.269 3.385 -5.319 740 HA TYR2105 HA TYR2105 -2.263 1.654 -5.951 741 HB2 TYR2105 1HB TYR2105 -1.780 4.115 -6.617 742 HB3 TYR2105 2HB TYR2105 -0.699 3.490 -7.866 743 HD1 TYR2105 2HD TYR2105 -3.313 1.194 -7.611 744 HD2 TYR2105 1HD TYR2105 -2.485 5.128 -9.074 745 HE1 TYR2105 2HE TYR2105 -5.283 1.022 -9.209 746 HE2 TYR2105 1HE TYR2105 -4.458 4.943 -10.666 747 HH TYR2105 HH TYR2105 -5.697 2.496 -11.722 748 H HIS2106 H HIS2106 1.095 1.706 -7.195 749 HA HIS2106 HA HIS2106 0.610 -0.048 -9.335 750 HB2 HIS2106 1HB HIS2106 2.728 1.480 -8.366 751 HB3 HIS2106 2HB HIS2106 3.305 -0.183 -8.235 752 HD1 HIS2106 1HD HIS2106 3.952 2.311 -10.395 753 HD2 HIS2106 2HD HIS2106 2.060 -1.375 -11.049 754 HE1 HIS2106 1HE HIS2106 4.197 1.814 -12.887 755 HE2 HIS2106 2HE HIS2106 3.014 -0.466 -13.237 756 H VAL2107 H VAL2107 1.974 -0.567 -6.007 757 HA VAL2107 HA VAL2107 2.176 -3.348 -6.293 758 HB VAL2107 HB VAL2107 2.901 -3.323 -4.140 759 HG11 VAL2107 1HG1 VAL2107 3.882 -1.363 -5.612 760 HG12 VAL2107 2HG1 VAL2107 3.098 -0.338 -4.384 761 HG13 VAL2107 3HG1 VAL2107 4.329 -1.528 -3.896 762 HG21 VAL2107 3HG2 VAL2107 1.029 -1.028 -3.466 763 HG22 VAL2107 1HG2 VAL2107 0.687 -2.752 -3.174 764 HG23 VAL2107 2HG2 VAL2107 2.035 -1.957 -2.327 765 H PHE2108 H PHE2108 -0.361 -1.225 -4.810 766 HA PHE2108 HA PHE2108 -2.028 -3.258 -3.965 767 HB2 PHE2108 1HB PHE2108 -2.210 -0.362 -4.819 768 HB3 PHE2108 2HB PHE2108 -3.741 -1.218 -4.622 769 HD1 PHE2108 2HD PHE2108 -4.362 -2.110 -2.393 770 HD2 PHE2108 1HD PHE2108 -0.912 0.300 -2.942 771 HE1 PHE2108 2HE PHE2108 -4.270 -1.679 0.078 772 HE2 PHE2108 1HE PHE2108 -0.819 0.731 -0.471 773 HZ PHE2108 HZ PHE2108 -2.500 -0.265 1.010 774 H ARG2109 H ARG2109 -1.461 -1.915 -7.203 775 HA ARG2109 HA ARG2109 -3.860 -2.952 -8.265 776 HB2 ARG2109 1HB ARG2109 -1.448 -1.523 -9.247 777 HB3 ARG2109 2HB ARG2109 -2.187 -2.596 -10.449 778 HG2 ARG2109 1HG ARG2109 -4.398 -1.348 -9.387 779 HG3 ARG2109 2HG ARG2109 -3.193 -0.053 -9.279 780 HD2 ARG2109 1HD ARG2109 -2.960 0.095 -11.585 781 HD3 ARG2109 2HD ARG2109 -3.358 -1.610 -11.853 782 HE ARG2109 HE ARG2109 -5.719 -0.550 -10.895 783 HH11 ARG2109 2HH2 ARG2109 -3.551 0.385 -13.536 784 HH12 ARG2109 1HH2 ARG2109 -4.816 1.079 -14.495 785 H ARG2110 H ARG2110 -0.435 -4.009 -8.003 786 HA ARG2110 HA ARG2110 -0.581 -6.106 -9.782 787 HB2 ARG2110 1HB ARG2110 1.153 -5.367 -7.441 788 HB3 ARG2110 2HB ARG2110 1.288 -7.026 -8.048 789 HG2 ARG2110 1HG ARG2110 1.380 -4.678 -9.953 790 HG3 ARG2110 2HG ARG2110 2.834 -5.136 -9.049 791 HD2 ARG2110 1HD ARG2110 3.208 -6.895 -10.422 792 HD3 ARG2110 2HD ARG2110 1.549 -7.484 -10.239 793 HE ARG2110 HE ARG2110 1.246 -5.333 -11.928 794 HH11 ARG2110 2HH2 ARG2110 3.393 -8.152 -12.012 795 HH12 ARG2110 1HH2 ARG2110 3.486 -8.182 -13.743 796 H ILE2111 H ILE2111 -1.035 -6.003 -6.176 797 HA ILE2111 HA ILE2111 -1.448 -8.651 -5.697 798 HB ILE2111 HB ILE2111 -2.957 -7.811 -3.836 799 HG12 ILE2111 1HG1 ILE2111 -2.123 -5.129 -4.959 800 HG13 ILE2111 2HG1 ILE2111 -3.770 -5.784 -4.961 801 HG21 ILE2111 1HG2 ILE2111 -0.354 -6.333 -3.792 802 HG22 ILE2111 2HG2 ILE2111 -1.131 -7.326 -2.535 803 HG23 ILE2111 3HG2 ILE2111 -0.345 -8.108 -3.928 804 HD11 ILE2111 3HD1 ILE2111 -2.067 -4.932 -2.593 805 HD12 ILE2111 1HD1 ILE2111 -3.679 -4.343 -3.063 806 HD13 ILE2111 2HD1 ILE2111 -3.491 -5.981 -2.387 807 H SER2112 H SER2112 -3.504 -6.363 -7.430 808 HA SER2112 HA SER2112 -5.697 -8.241 -7.340 809 HB2 SER2112 1HB SER2112 -5.368 -5.368 -7.836 810 HB3 SER2112 2HB SER2112 -6.431 -6.132 -9.033 811 HG SER2112 HG SER2112 -7.357 -7.155 -6.873 812 H LYS2113 H LYS2113 -3.580 -6.512 -9.735 813 HA LYS2113 HA LYS2113 -4.492 -7.453 -12.068 814 HB2 LYS2113 1HB LYS2113 -2.117 -6.299 -11.098 815 HB3 LYS2113 2HB LYS2113 -1.616 -7.699 -12.064 816 HG2 LYS2113 1HG LYS2113 -1.880 -6.324 -13.846 817 HG3 LYS2113 2HG LYS2113 -3.620 -6.577 -13.629 818 HD2 LYS2113 1HD LYS2113 -3.295 -4.599 -11.847 819 HD3 LYS2113 2HD LYS2113 -1.906 -4.218 -12.879 820 HE2 LYS2113 1HE LYS2113 -4.611 -4.746 -14.120 821 HE3 LYS2113 2HE LYS2113 -4.284 -3.164 -13.399 822 HZ1 LYS2113 2HZ LYS2113 -2.376 -4.327 -15.324 823 HZ3 LYS2113 1HZ LYS2113 -2.618 -2.756 -14.964 824 H GLN2114 H GLN2114 -4.870 -9.388 -13.018 825 HA GLN2114 HA GLN2114 -5.167 -11.574 -13.027 826 HB2 GLN2114 1HB GLN2114 -2.897 -10.944 -14.197 827 HB3 GLN2114 2HB GLN2114 -2.162 -11.862 -12.872 828 HG2 GLN2114 1HG GLN2114 -2.825 -13.843 -13.753 829 HG3 GLN2114 2HG GLN2114 -4.457 -13.253 -14.098 830 HE21 GLN2114 1HE2 GLN2114 -1.817 -14.528 -15.451 831 HE22 GLN2114 2HE2 GLN2114 -1.868 -13.863 -17.048 Start of MODEL 9 1 H MET2014 H MET2014 -7.820 -23.091 2.440 2 HA MET2014 HA MET2014 -6.307 -21.744 0.386 3 HB2 MET2014 1HB MET2014 -5.545 -24.261 1.669 4 HB3 MET2014 2HB MET2014 -5.867 -24.535 -0.053 5 HG2 MET2014 1HG MET2014 -3.723 -23.820 -0.359 6 HG3 MET2014 2HG MET2014 -4.372 -22.197 -0.106 7 HE1 MET2014 3HE MET2014 -2.592 -21.116 0.579 8 HE2 MET2014 1HE MET2014 -3.336 -20.666 2.131 9 HE3 MET2014 2HE MET2014 -1.664 -21.276 2.090 10 H GLU2015 H GLU2015 -7.691 -21.455 -1.303 11 HA GLU2015 HA GLU2015 -9.880 -23.352 -1.512 12 HB2 GLU2015 1HB GLU2015 -9.526 -20.460 -2.122 13 HB3 GLU2015 2HB GLU2015 -10.574 -21.359 -3.234 14 HG2 GLU2015 1HG GLU2015 -11.666 -22.283 -1.029 15 HG3 GLU2015 2HG GLU2015 -10.895 -20.889 -0.255 16 HE2 GLU2015 HE GLU2015 -14.278 -20.109 -1.565 17 H LEU2016 H LEU2016 -6.841 -22.567 -2.869 18 HA LEU2016 HA LEU2016 -5.745 -23.400 -4.601 19 HB2 LEU2016 1HB LEU2016 -7.892 -25.230 -4.252 20 HB3 LEU2016 2HB LEU2016 -7.631 -25.005 -5.990 21 HG LEU2016 HG LEU2016 -5.120 -25.375 -4.581 22 HD11 LEU2016 1HD1 LEU2016 -7.176 -27.578 -4.269 23 HD12 LEU2016 2HD1 LEU2016 -5.434 -27.727 -3.936 24 HD13 LEU2016 3HD1 LEU2016 -6.435 -26.624 -2.962 25 HD21 LEU2016 3HD2 LEU2016 -5.322 -25.614 -6.972 26 HD22 LEU2016 1HD2 LEU2016 -4.855 -27.178 -6.262 27 HD23 LEU2016 2HD2 LEU2016 -6.536 -26.902 -6.781 28 H ILE2017 H ILE2017 -7.384 -20.931 -4.622 29 HA ILE2017 HA ILE2017 -7.329 -20.559 -7.491 30 HB ILE2017 HB ILE2017 -9.821 -20.185 -5.835 31 HG12 ILE2017 1HG1 ILE2017 -9.024 -21.968 -8.112 32 HG13 ILE2017 2HG1 ILE2017 -9.825 -22.385 -6.587 33 HG21 ILE2017 1HG2 ILE2017 -9.188 -18.231 -7.388 34 HG22 ILE2017 2HG2 ILE2017 -9.554 -19.356 -8.719 35 HG23 ILE2017 3HG2 ILE2017 -10.816 -18.937 -7.535 36 HD11 ILE2017 3HD1 ILE2017 -11.422 -22.488 -8.462 37 HD12 ILE2017 1HD1 ILE2017 -11.863 -21.162 -7.361 38 HD13 ILE2017 2HD1 ILE2017 -11.042 -20.805 -8.899 39 H ARG2018 H ARG2018 -9.007 -18.505 -5.094 40 HA ARG2018 HA ARG2018 -6.668 -16.967 -4.633 41 HB2 ARG2018 1HB ARG2018 -8.207 -16.316 -6.907 42 HB3 ARG2018 2HB ARG2018 -8.698 -15.127 -5.689 43 HG2 ARG2018 1HG ARG2018 -5.788 -15.594 -5.770 44 HG3 ARG2018 2HG ARG2018 -6.426 -14.975 -7.302 45 HD2 ARG2018 1HD ARG2018 -6.760 -13.733 -4.538 46 HD3 ARG2018 2HD ARG2018 -5.772 -13.095 -5.861 47 HE ARG2018 HE ARG2018 -8.684 -12.901 -5.572 48 HH11 ARG2018 2HH2 ARG2018 -5.986 -12.774 -7.867 49 HH12 ARG2018 1HH2 ARG2018 -6.862 -11.844 -9.035 50 H VAL2019 H VAL2019 -7.268 -17.490 -2.417 51 HA VAL2019 HA VAL2019 -9.645 -17.339 -1.206 52 HB VAL2019 HB VAL2019 -8.079 -17.944 0.274 53 HG11 VAL2019 1HG1 VAL2019 -5.801 -16.547 0.349 54 HG12 VAL2019 2HG1 VAL2019 -6.077 -17.856 -0.826 55 HG13 VAL2019 3HG1 VAL2019 -6.290 -16.159 -1.318 56 HG21 VAL2019 3HG2 VAL2019 -7.488 -16.179 1.901 57 HG22 VAL2019 1HG2 VAL2019 -8.005 -14.941 0.730 58 HG23 VAL2019 2HG2 VAL2019 -9.193 -16.087 1.396 59 HA PRO2020 HA PRO2020 -10.962 -13.233 -1.771 60 HB2 PRO2020 1HB PRO2020 -13.302 -13.395 -0.371 61 HB3 PRO2020 2HB PRO2020 -13.148 -13.899 -2.053 62 HG2 PRO2020 1HG PRO2020 -13.287 -15.517 0.409 63 HG3 PRO2020 2HG PRO2020 -13.615 -16.025 -1.287 64 HD2 PRO2020 1HD PRO2020 -11.315 -16.580 0.325 65 HD3 PRO2020 2HD PRO2020 -11.519 -16.963 -1.388 66 H ILE2021 H ILE2021 -10.636 -14.706 1.346 67 HA ILE2021 HA ILE2021 -10.307 -12.007 2.454 68 HB ILE2021 HB ILE2021 -10.796 -13.014 4.623 69 HG12 ILE2021 1HG1 ILE2021 -11.995 -15.449 4.043 70 HG13 ILE2021 2HG1 ILE2021 -10.473 -15.499 3.136 71 HG21 ILE2021 1HG2 ILE2021 -13.134 -13.964 3.115 72 HG22 ILE2021 2HG2 ILE2021 -12.994 -12.686 4.346 73 HG23 ILE2021 3HG2 ILE2021 -12.570 -12.341 2.652 74 HD11 ILE2021 3HD1 ILE2021 -9.752 -16.272 5.210 75 HD12 ILE2021 1HD1 ILE2021 -9.496 -14.524 5.434 76 HD13 ILE2021 2HD1 ILE2021 -10.951 -15.304 6.102 77 H LEU2022 H LEU2022 -8.161 -11.541 2.088 78 HA LEU2022 HA LEU2022 -6.288 -13.086 3.621 79 HB2 LEU2022 1HB LEU2022 -4.775 -13.536 1.792 80 HB3 LEU2022 2HB LEU2022 -6.313 -14.395 1.597 81 HG LEU2022 HG LEU2022 -5.266 -12.018 0.057 82 HD11 LEU2022 1HD1 LEU2022 -4.716 -13.506 -1.489 83 HD12 LEU2022 2HD1 LEU2022 -5.195 -14.807 -0.371 84 HD13 LEU2022 3HD1 LEU2022 -6.379 -14.144 -1.525 85 HD21 LEU2022 3HD2 LEU2022 -7.530 -12.266 -1.190 86 HD22 LEU2022 1HD2 LEU2022 -8.094 -12.999 0.331 87 HD23 LEU2022 2HD2 LEU2022 -7.464 -11.335 0.326 88 H TRP2023 H TRP2023 -3.959 -11.920 2.284 89 HA TRP2023 HA TRP2023 -3.933 -9.447 3.604 90 HB2 TRP2023 1HB TRP2023 -2.115 -10.963 1.808 91 HB3 TRP2023 2HB TRP2023 -1.812 -9.236 2.011 92 HD1 TRP2023 HD TRP2023 -3.174 -10.882 5.130 93 HE1 TRP2023 1HE TRP2023 -1.322 -11.214 6.980 94 HE3 TRP2023 3HE TRP2023 0.774 -9.770 2.123 95 HZ2 TRP2023 2HZ TRP2023 1.522 -10.978 6.978 96 HZ3 TRP2023 3HZ TRP2023 3.053 -9.843 3.127 97 HH2 TRP2023 HH TRP2023 3.462 -10.422 5.467 98 H HIS2024 H HIS2024 -4.125 -10.385 0.096 99 HA HIS2024 HA HIS2024 -4.152 -7.932 -1.030 100 HB2 HIS2024 1HB HIS2024 -6.075 -10.061 -1.932 101 HB3 HIS2024 2HB HIS2024 -5.140 -8.924 -2.910 102 HD1 HIS2024 1HD HIS2024 -5.108 -12.044 -3.360 103 HD2 HIS2024 2HD HIS2024 -2.256 -9.880 -1.173 104 HE1 HIS2024 1HE HIS2024 -2.983 -13.459 -3.358 105 HE2 HIS2024 2HE HIS2024 -1.259 -12.083 -1.994 106 H GLU2025 H GLU2025 -6.559 -9.352 1.097 107 HA GLU2025 HA GLU2025 -8.672 -7.681 0.257 108 HB2 GLU2025 1HB GLU2025 -8.921 -9.895 1.429 109 HB3 GLU2025 2HB GLU2025 -8.346 -9.130 2.921 110 HG2 GLU2025 1HG GLU2025 -10.332 -7.388 2.076 111 HG3 GLU2025 2HG GLU2025 -10.986 -8.958 1.581 112 HE2 GLU2025 HE GLU2025 -11.539 -7.976 5.203 113 H MET2026 H MET2026 -6.134 -7.558 2.801 114 HA MET2026 HA MET2026 -7.206 -5.341 4.119 115 HB2 MET2026 1HB MET2026 -5.193 -5.420 5.374 116 HB3 MET2026 2HB MET2026 -5.337 -7.090 4.800 117 HG2 MET2026 1HG MET2026 -3.143 -6.682 4.187 118 HG3 MET2026 2HG MET2026 -3.934 -6.079 2.728 119 HE1 MET2026 3HE MET2026 -1.227 -5.624 3.581 120 HE2 MET2026 1HE MET2026 -0.828 -3.892 3.701 121 HE3 MET2026 2HE MET2026 -1.078 -4.853 5.178 122 H TRP2027 H TRP2027 -5.143 -5.737 1.248 123 HA TRP2027 HA TRP2027 -4.220 -3.047 1.211 124 HB2 TRP2027 1HB TRP2027 -4.281 -5.245 -0.851 125 HB3 TRP2027 2HB TRP2027 -3.589 -3.650 -1.151 126 HD1 TRP2027 HD TRP2027 -3.014 -6.700 1.205 127 HE1 TRP2027 1HE TRP2027 -0.483 -6.845 1.937 128 HE3 TRP2027 3HE TRP2027 -1.575 -2.362 -1.023 129 HZ2 TRP2027 2HZ TRP2027 1.786 -5.167 1.513 130 HZ3 TRP2027 3HZ TRP2027 0.816 -1.687 -0.816 131 HH2 TRP2027 HH TRP2027 2.474 -3.013 0.399 132 H HIS2028 H HIS2028 -6.774 -4.948 -0.540 133 HA HIS2028 HA HIS2028 -7.728 -2.850 -2.062 134 HB2 HIS2028 1HB HIS2028 -8.386 -5.551 -1.533 135 HB3 HIS2028 2HB HIS2028 -9.869 -4.617 -1.317 136 HD1 HIS2028 1HD HIS2028 -11.189 -4.573 -3.423 137 HD2 HIS2028 2HD HIS2028 -7.061 -4.534 -4.166 138 HE1 HIS2028 1HE HIS2028 -10.920 -4.492 -5.958 139 HE2 HIS2028 2HE HIS2028 -8.361 -4.471 -6.366 140 H GLU2029 H GLU2029 -8.793 -4.039 1.196 141 HA GLU2029 HA GLU2029 -10.757 -2.069 1.453 142 HB2 GLU2029 1HB GLU2029 -9.322 -3.530 3.697 143 HB3 GLU2029 2HB GLU2029 -10.954 -2.837 3.746 144 HG2 GLU2029 1HG GLU2029 -10.580 -4.737 1.529 145 HG3 GLU2029 2HG GLU2029 -10.287 -5.484 3.107 146 HE2 GLU2029 HE GLU2029 -13.693 -5.928 3.221 147 H GLY2030 H GLY2030 -7.338 -2.339 2.594 148 HA2 GLY2030 2HA GLY2030 -7.172 -0.103 4.188 149 HA3 GLY2030 3HA GLY2030 -5.865 -0.762 3.225 150 H LEU2031 H LEU2031 -6.150 -0.244 0.696 151 HA LEU2031 HA LEU2031 -5.898 2.514 0.448 152 HB2 LEU2031 1HB LEU2031 -5.406 0.257 -1.070 153 HB3 LEU2031 2HB LEU2031 -6.604 1.151 -2.020 154 HG LEU2031 HG LEU2031 -5.171 3.066 -2.148 155 HD11 LEU2031 1HD1 LEU2031 -3.684 1.709 0.049 156 HD12 LEU2031 2HD1 LEU2031 -2.750 2.683 -1.110 157 HD13 LEU2031 3HD1 LEU2031 -4.076 3.428 -0.186 158 HD21 LEU2031 3HD2 LEU2031 -4.447 0.504 -3.163 159 HD22 LEU2031 1HD2 LEU2031 -4.153 2.112 -3.867 160 HD23 LEU2031 2HD2 LEU2031 -2.955 1.390 -2.766 161 H GLU2032 H GLU2032 -8.697 0.325 0.147 162 HA GLU2032 HA GLU2032 -10.381 1.964 -1.235 163 HB2 GLU2032 1HB GLU2032 -10.613 -0.334 0.591 164 HB3 GLU2032 2HB GLU2032 -12.053 0.698 0.597 165 HG2 GLU2032 1HG GLU2032 -11.136 0.348 -2.122 166 HG3 GLU2032 2HG GLU2032 -11.267 -1.244 -1.358 167 HE2 GLU2032 HE GLU2032 -14.561 -0.889 -2.434 168 H GLU2033 H GLU2033 -9.927 1.726 2.363 169 HA GLU2033 HA GLU2033 -11.707 3.833 2.866 170 HB2 GLU2033 1HB GLU2033 -10.695 1.885 4.388 171 HB3 GLU2033 2HB GLU2033 -9.529 3.148 4.824 172 HG2 GLU2033 1HG GLU2033 -11.123 4.432 5.892 173 HG3 GLU2033 2HG GLU2033 -12.436 3.905 4.827 174 HE2 GLU2033 HE GLU2033 -13.377 1.358 6.914 175 H ALA2034 H ALA2034 -8.086 3.586 2.826 176 HA ALA2034 HA ALA2034 -7.489 6.161 3.539 177 HB1 ALA2034 3HB ALA2034 -5.424 5.737 2.053 178 HB2 ALA2034 1HB ALA2034 -5.738 4.573 3.362 179 HB3 ALA2034 2HB ALA2034 -6.166 4.163 1.683 180 H SER2035 H SER2035 -8.279 4.834 0.265 181 HA SER2035 HA SER2035 -7.899 7.263 -1.037 182 HB2 SER2035 1HB SER2035 -7.888 5.418 -2.454 183 HB3 SER2035 2HB SER2035 -9.298 4.670 -1.682 184 HG SER2035 HG SER2035 -9.677 5.603 -3.852 185 H ARG2036 H ARG2036 -10.909 5.557 0.089 186 HA ARG2036 HA ARG2036 -12.719 7.374 -0.733 187 HB2 ARG2036 1HB ARG2036 -12.925 5.089 0.593 188 HB3 ARG2036 2HB ARG2036 -13.010 6.137 2.020 189 HG2 ARG2036 1HG ARG2036 -14.733 7.104 -0.136 190 HG3 ARG2036 2HG ARG2036 -15.134 5.432 0.298 191 HD2 ARG2036 1HD ARG2036 -16.024 6.070 2.287 192 HD3 ARG2036 2HD ARG2036 -14.664 7.141 2.658 193 HE ARG2036 HE ARG2036 -16.108 8.441 0.639 194 HH11 ARG2036 2HH2 ARG2036 -16.820 7.273 3.908 195 HH12 ARG2036 1HH2 ARG2036 -18.032 8.474 4.207 196 H LEU2037 H LEU2037 -10.861 7.326 2.383 197 HA LEU2037 HA LEU2037 -12.055 9.712 3.346 198 HB2 LEU2037 1HB LEU2037 -10.483 9.556 5.119 199 HB3 LEU2037 2HB LEU2037 -11.140 7.944 4.780 200 HG LEU2037 HG LEU2037 -9.001 7.549 3.429 201 HD11 LEU2037 1HD1 LEU2037 -7.341 9.307 4.950 202 HD12 LEU2037 2HD1 LEU2037 -7.520 9.179 3.185 203 HD13 LEU2037 3HD1 LEU2037 -8.576 10.275 4.108 204 HD21 LEU2037 3HD2 LEU2037 -9.279 6.371 5.453 205 HD22 LEU2037 1HD2 LEU2037 -7.664 7.113 5.545 206 HD23 LEU2037 2HD2 LEU2037 -9.027 7.834 6.435 207 H TYR2038 H TYR2038 -8.985 8.890 1.636 208 HA TYR2038 HA TYR2038 -7.744 11.328 1.769 209 HB2 TYR2038 1HB TYR2038 -6.677 9.382 0.784 210 HB3 TYR2038 2HB TYR2038 -8.035 9.096 -0.309 211 HD1 TYR2038 2HD TYR2038 -5.034 11.165 0.311 212 HD2 TYR2038 1HD TYR2038 -8.172 10.222 -2.439 213 HE1 TYR2038 2HE TYR2038 -3.806 12.417 -1.528 214 HE2 TYR2038 1HE TYR2038 -6.932 11.478 -4.271 215 HH TYR2038 HH TYR2038 -5.053 12.431 -4.840 216 H PHE2039 H PHE2039 -9.973 10.167 -0.862 217 HA PHE2039 HA PHE2039 -9.996 12.687 -2.133 218 HB2 PHE2039 1HB PHE2039 -11.738 10.165 -2.147 219 HB3 PHE2039 2HB PHE2039 -12.061 11.510 -3.247 220 HD1 PHE2039 2HD PHE2039 -9.937 12.270 -4.650 221 HD2 PHE2039 1HD PHE2039 -10.432 8.437 -2.900 222 HE1 PHE2039 2HE PHE2039 -8.286 11.314 -6.281 223 HE2 PHE2039 1HE PHE2039 -8.781 7.480 -4.531 224 HZ PHE2039 HZ PHE2039 -7.727 8.930 -6.201 225 H GLY2040 H GLY2040 -11.910 11.170 0.454 226 HA2 GLY2040 2HA GLY2040 -14.266 12.531 0.404 227 HA3 GLY2040 3HA GLY2040 -13.415 12.075 1.867 228 H GLU2041 H GLU2041 -11.469 13.607 2.460 229 HA GLU2041 HA GLU2041 -12.073 16.322 1.652 230 HB2 GLU2041 1HB GLU2041 -11.817 17.000 4.115 231 HB3 GLU2041 2HB GLU2041 -13.342 16.216 3.666 232 HG2 GLU2041 1HG GLU2041 -11.138 14.399 4.524 233 HG3 GLU2041 2HG GLU2041 -11.792 15.450 5.789 234 HE2 GLU2041 HE GLU2041 -14.221 12.755 4.047 235 H ARG2042 H ARG2042 -9.978 15.018 0.570 236 HA ARG2042 HA ARG2042 -7.800 14.698 0.538 237 HB2 ARG2042 1HB ARG2042 -8.008 17.617 1.402 238 HB3 ARG2042 2HB ARG2042 -6.532 16.901 0.732 239 HG2 ARG2042 1HG ARG2042 -9.217 16.846 -0.698 240 HG3 ARG2042 2HG ARG2042 -8.042 18.152 -0.928 241 HD2 ARG2042 1HD ARG2042 -6.346 16.323 -1.537 242 HD3 ARG2042 2HD ARG2042 -7.708 15.193 -1.588 243 HE ARG2042 HE ARG2042 -7.056 17.255 -3.550 244 HH11 ARG2042 2HH2 ARG2042 -9.705 15.331 -2.195 245 HH12 ARG2042 1HH2 ARG2042 -10.698 15.479 -3.605 246 H ASN2043 H ASN2043 -8.772 13.730 3.033 247 HA ASN2043 HA ASN2043 -6.985 14.810 5.019 248 HB2 ASN2043 1HB ASN2043 -9.295 12.846 5.021 249 HB3 ASN2043 2HB ASN2043 -8.184 12.877 6.399 250 HD21 ASN2043 1HD2 ASN2043 -10.351 13.426 7.370 251 HD22 ASN2043 2HD2 ASN2043 -10.768 15.101 7.516 252 H VAL2044 H VAL2044 -5.190 13.896 3.404 253 HA VAL2044 HA VAL2044 -4.803 11.218 2.975 254 HB VAL2044 HB VAL2044 -2.871 13.497 3.391 255 HG11 VAL2044 1HG1 VAL2044 -1.889 11.170 3.837 256 HG12 VAL2044 2HG1 VAL2044 -2.156 10.855 2.105 257 HG13 VAL2044 3HG1 VAL2044 -1.077 12.177 2.613 258 HG21 VAL2044 3HG2 VAL2044 -2.974 13.861 1.129 259 HG22 VAL2044 1HG2 VAL2044 -3.372 12.166 0.759 260 HG23 VAL2044 2HG2 VAL2044 -4.625 13.253 1.407 261 H LYS2045 H LYS2045 -4.658 13.038 5.958 262 HA LYS2045 HA LYS2045 -2.846 11.596 7.426 263 HB2 LYS2045 1HB LYS2045 -4.110 12.340 9.381 264 HB3 LYS2045 2HB LYS2045 -3.892 13.649 8.206 265 HG2 LYS2045 1HG LYS2045 -6.141 13.908 8.640 266 HG3 LYS2045 2HG LYS2045 -6.262 12.729 7.323 267 HD2 LYS2045 1HD LYS2045 -7.515 11.547 8.810 268 HD3 LYS2045 2HD LYS2045 -5.957 11.072 9.505 269 HE2 LYS2045 1HE LYS2045 -6.816 13.685 10.495 270 HE3 LYS2045 2HE LYS2045 -8.055 12.458 10.800 271 HZ1 LYS2045 2HZ LYS2045 -5.215 12.374 11.651 272 HZ3 LYS2045 1HZ LYS2045 -6.200 11.082 11.760 273 H GLY2046 H GLY2046 -6.317 10.868 6.731 274 HA2 GLY2046 2HA GLY2046 -6.645 8.653 8.340 275 HA3 GLY2046 3HA GLY2046 -7.452 8.930 6.807 276 H MET2047 H MET2047 -5.545 8.746 4.868 277 HA MET2047 HA MET2047 -5.209 6.073 4.552 278 HB2 MET2047 1HB MET2047 -5.001 7.562 2.668 279 HB3 MET2047 2HB MET2047 -3.712 8.499 3.442 280 HG2 MET2047 1HG MET2047 -3.281 5.559 2.896 281 HG3 MET2047 2HG MET2047 -3.150 6.700 1.554 282 HE1 MET2047 3HE MET2047 -1.185 9.407 3.273 283 HE2 MET2047 1HE MET2047 -0.442 8.707 1.815 284 HE3 MET2047 2HE MET2047 -2.209 8.896 1.909 285 H PHE2048 H PHE2048 -2.688 8.476 5.603 286 HA PHE2048 HA PHE2048 -0.591 6.771 5.901 287 HB2 PHE2048 1HB PHE2048 -1.650 9.243 7.327 288 HB3 PHE2048 2HB PHE2048 -0.182 8.485 7.953 289 HD1 PHE2048 1HD PHE2048 1.539 7.895 5.906 290 HD2 PHE2048 2HD PHE2048 -1.312 11.038 5.956 291 HE1 PHE2048 1HE PHE2048 2.894 9.149 4.207 292 HE2 PHE2048 2HE PHE2048 0.043 12.293 4.257 293 HZ PHE2048 HZ PHE2048 2.131 11.335 3.402 294 H GLU2049 H GLU2049 -3.285 7.424 8.218 295 HA GLU2049 HA GLU2049 -2.126 5.743 10.184 296 HB2 GLU2049 1HB GLU2049 -4.994 6.733 10.024 297 HB3 GLU2049 2HB GLU2049 -4.123 6.217 11.477 298 HG2 GLU2049 1HG GLU2049 -2.942 8.439 9.839 299 HG3 GLU2049 2HG GLU2049 -4.384 8.814 10.798 300 HE2 GLU2049 HE GLU2049 -2.718 8.401 13.833 301 H VAL2050 H VAL2050 -3.902 5.233 7.281 302 HA VAL2050 HA VAL2050 -5.192 2.818 8.203 303 HB VAL2050 HB VAL2050 -5.084 4.398 5.657 304 HG11 VAL2050 1HG1 VAL2050 -4.826 2.021 5.009 305 HG12 VAL2050 2HG1 VAL2050 -6.305 1.628 5.918 306 HG13 VAL2050 3HG1 VAL2050 -6.390 2.699 4.498 307 HG21 VAL2050 3HG2 VAL2050 -7.190 5.018 6.176 308 HG22 VAL2050 1HG2 VAL2050 -7.641 3.392 6.739 309 HG23 VAL2050 2HG2 VAL2050 -6.753 4.493 7.818 310 H LEU2051 H LEU2051 -2.451 3.828 6.077 311 HA LEU2051 HA LEU2051 -1.768 1.106 5.509 312 HB2 LEU2051 1HB LEU2051 0.154 3.308 5.059 313 HB3 LEU2051 2HB LEU2051 -0.299 1.952 4.013 314 HG LEU2051 HG LEU2051 -1.608 4.635 4.361 315 HD11 LEU2051 1HD1 LEU2051 0.126 4.207 2.599 316 HD12 LEU2051 2HD1 LEU2051 -1.000 3.044 1.858 317 HD13 LEU2051 3HD1 LEU2051 -1.450 4.762 1.983 318 HD21 LEU2051 3HD2 LEU2051 -3.612 3.625 4.473 319 HD22 LEU2051 1HD2 LEU2051 -3.372 3.369 2.728 320 HD23 LEU2051 2HD2 LEU2051 -2.985 2.069 3.882 321 H GLU2052 H GLU2052 -0.603 3.736 7.680 322 HA GLU2052 HA GLU2052 1.679 2.807 8.593 323 HB2 GLU2052 1HB GLU2052 -0.542 4.330 9.726 324 HB3 GLU2052 2HB GLU2052 0.341 3.452 10.986 325 HG2 GLU2052 1HG GLU2052 2.077 4.767 8.982 326 HG3 GLU2052 2HG GLU2052 1.081 5.902 9.906 327 HE2 GLU2052 HE GLU2052 4.298 4.788 11.563 328 HA PRO2053 HA PRO2053 -0.431 -0.434 11.337 329 HB2 PRO2053 1HB PRO2053 -3.113 -0.892 11.100 330 HB3 PRO2053 2HB PRO2053 -2.423 0.171 12.322 331 HG2 PRO2053 1HG PRO2053 -3.814 0.829 9.806 332 HG3 PRO2053 2HG PRO2053 -3.550 1.872 11.250 333 HD2 PRO2053 1HD PRO2053 -2.208 1.958 8.722 334 HD3 PRO2053 2HD PRO2053 -1.804 2.900 10.164 335 H LEU2054 H LEU2054 -2.332 -0.364 8.358 336 HA LEU2054 HA LEU2054 -2.401 -3.046 7.899 337 HB2 LEU2054 1HB LEU2054 -2.462 -0.601 6.232 338 HB3 LEU2054 2HB LEU2054 -2.199 -2.138 5.391 339 HG LEU2054 HG LEU2054 -4.337 -2.781 5.652 340 HD11 LEU2054 1HD1 LEU2054 -4.375 -3.331 7.912 341 HD12 LEU2054 2HD1 LEU2054 -4.122 -1.647 8.432 342 HD13 LEU2054 3HD1 LEU2054 -5.693 -2.144 7.759 343 HD21 LEU2054 3HD2 LEU2054 -4.227 -0.175 5.046 344 HD22 LEU2054 1HD2 LEU2054 -5.754 -1.082 5.164 345 HD23 LEU2054 2HD2 LEU2054 -5.208 -0.078 6.528 346 H HIS2055 H HIS2055 0.162 -0.728 6.776 347 HA HIS2055 HA HIS2055 1.773 -2.713 5.677 348 HB2 HIS2055 1HB HIS2055 2.298 0.085 6.664 349 HB3 HIS2055 2HB HIS2055 3.584 -0.914 5.975 350 HD1 HIS2055 1HD HIS2055 2.195 1.806 4.784 351 HD2 HIS2055 2HD HIS2055 1.683 -2.139 3.459 352 HE1 HIS2055 1HE HIS2055 1.434 1.961 2.354 353 HE2 HIS2055 2HE HIS2055 1.131 -0.494 1.584 354 H ALA2056 H ALA2056 1.897 -1.065 8.909 355 HA ALA2056 HA ALA2056 4.088 -2.359 9.920 356 HB1 ALA2056 3HB ALA2056 1.526 -1.436 11.278 357 HB2 ALA2056 1HB ALA2056 3.014 -1.887 12.142 358 HB3 ALA2056 2HB ALA2056 3.015 -0.490 11.038 359 H MET2057 H MET2057 0.604 -3.377 10.090 360 HA MET2057 HA MET2057 0.942 -5.647 11.519 361 HB2 MET2057 1HB MET2057 -1.290 -5.665 11.067 362 HB3 MET2057 2HB MET2057 -1.048 -4.440 9.810 363 HG2 MET2057 1HG MET2057 -0.630 -6.178 8.140 364 HG3 MET2057 2HG MET2057 -0.655 -7.438 9.375 365 HE1 MET2057 3HE MET2057 -2.202 -7.695 6.877 366 HE2 MET2057 1HE MET2057 -3.937 -7.295 6.897 367 HE3 MET2057 2HE MET2057 -2.734 -6.020 6.592 368 H MET2058 H MET2058 1.537 -5.106 8.018 369 HA MET2058 HA MET2058 1.872 -7.819 7.411 370 HB2 MET2058 1HB MET2058 2.889 -5.249 6.100 371 HB3 MET2058 2HB MET2058 2.993 -6.841 5.326 372 HG2 MET2058 1HG MET2058 0.291 -6.151 6.344 373 HG3 MET2058 2HG MET2058 0.869 -5.072 5.071 374 HE1 MET2058 3HE MET2058 -1.067 -8.550 5.438 375 HE2 MET2058 1HE MET2058 -1.511 -6.839 5.239 376 HE3 MET2058 2HE MET2058 -1.628 -7.955 3.857 377 H GLU2059 H GLU2059 4.004 -5.289 8.712 378 HA GLU2059 HA GLU2059 6.369 -6.761 8.163 379 HB2 GLU2059 1HB GLU2059 6.149 -4.535 10.195 380 HB3 GLU2059 2HB GLU2059 7.526 -4.949 9.157 381 HG2 GLU2059 1HG GLU2059 5.701 -4.408 7.242 382 HG3 GLU2059 2HG GLU2059 5.031 -3.392 8.529 383 HE2 GLU2059 HE GLU2059 7.328 -0.967 7.877 384 H ARG2060 H ARG2060 4.754 -5.739 11.267 385 HA ARG2060 HA ARG2060 6.257 -7.589 12.740 386 HB2 ARG2060 1HB ARG2060 4.765 -6.937 14.618 387 HB3 ARG2060 2HB ARG2060 5.331 -5.507 13.737 388 HG2 ARG2060 1HG ARG2060 3.200 -5.429 12.492 389 HG3 ARG2060 2HG ARG2060 2.633 -6.883 13.330 390 HD2 ARG2060 1HD ARG2060 3.526 -4.949 15.284 391 HD3 ARG2060 2HD ARG2060 2.405 -4.150 14.173 392 HE ARG2060 HE ARG2060 0.669 -5.563 14.939 393 HH11 ARG2060 2HH2 ARG2060 3.778 -6.620 16.270 394 HH12 ARG2060 1HH2 ARG2060 3.060 -7.704 17.416 395 H GLY2061 H GLY2061 3.464 -7.847 10.726 396 HA2 GLY2061 2HA GLY2061 2.716 -10.411 12.003 397 HA3 GLY2061 3HA GLY2061 1.571 -9.331 11.235 398 HA PRO2062 HA PRO2062 4.238 -11.245 7.802 399 HB2 PRO2062 1HB PRO2062 6.011 -13.225 8.439 400 HB3 PRO2062 2HB PRO2062 6.478 -11.535 8.249 401 HG2 PRO2062 1HG PRO2062 6.091 -13.131 10.699 402 HG3 PRO2062 2HG PRO2062 7.012 -11.598 10.491 403 HD2 PRO2062 1HD PRO2062 4.441 -11.979 11.692 404 HD3 PRO2062 2HD PRO2062 5.235 -10.432 11.368 405 H GLN2063 H GLN2063 4.829 -13.869 7.056 406 HA GLN2063 HA GLN2063 2.492 -15.285 8.021 407 HB2 GLN2063 1HB GLN2063 2.656 -14.012 5.466 408 HB3 GLN2063 2HB GLN2063 2.717 -15.763 5.184 409 HG2 GLN2063 1HG GLN2063 0.477 -15.786 5.441 410 HG3 GLN2063 2HG GLN2063 0.723 -15.411 7.155 411 HE21 GLN2063 1HE2 GLN2063 -0.289 -14.313 4.067 412 HE22 GLN2063 2HE2 GLN2063 -0.779 -12.707 4.494 413 H THR2064 H THR2064 4.682 -15.878 5.201 414 HA THR2064 HA THR2064 6.288 -17.741 6.680 415 HB THR2064 HB THR2064 5.500 -19.619 4.992 416 HG1 THR2064 1HG THR2064 3.969 -18.589 3.725 417 HG21 THR2064 3HG2 THR2064 4.839 -19.195 7.610 418 HG22 THR2064 1HG2 THR2064 3.239 -18.969 6.861 419 HG23 THR2064 2HG2 THR2064 4.117 -20.503 6.641 420 H LEU2065 H LEU2065 7.460 -19.169 4.679 421 HA LEU2065 HA LEU2065 9.033 -17.156 3.463 422 HB2 LEU2065 1HB LEU2065 9.268 -19.845 4.112 423 HB3 LEU2065 2HB LEU2065 9.350 -19.810 2.342 424 HG LEU2065 HG LEU2065 11.572 -19.701 3.134 425 HD11 LEU2065 1HD1 LEU2065 10.433 -17.179 2.045 426 HD12 LEU2065 2HD1 LEU2065 12.108 -17.128 2.644 427 HD13 LEU2065 3HD1 LEU2065 11.654 -18.281 1.366 428 HD21 LEU2065 3HD2 LEU2065 11.575 -17.280 4.715 429 HD22 LEU2065 1HD2 LEU2065 10.464 -18.486 5.405 430 HD23 LEU2065 2HD2 LEU2065 12.169 -18.909 5.120 431 H LYS2066 H LYS2066 6.179 -19.024 2.528 432 HA LYS2066 HA LYS2066 6.474 -18.621 -0.258 433 HB2 LYS2066 1HB LYS2066 5.166 -20.443 0.680 434 HB3 LYS2066 2HB LYS2066 4.032 -19.292 1.410 435 HG2 LYS2066 1HG LYS2066 4.607 -19.213 -1.559 436 HG3 LYS2066 2HG LYS2066 3.456 -20.398 -0.914 437 HD2 LYS2066 1HD LYS2066 2.915 -17.805 0.243 438 HD3 LYS2066 2HD LYS2066 3.005 -17.636 -1.519 439 HE2 LYS2066 1HE LYS2066 1.410 -19.594 -1.701 440 HE3 LYS2066 2HE LYS2066 1.229 -19.556 0.057 441 HZ1 LYS2066 2HZ LYS2066 0.388 -17.517 -1.905 442 HZ3 LYS2066 1HZ LYS2066 0.607 -17.104 -0.346 443 H GLU2067 H GLU2067 5.010 -16.791 2.445 444 HA GLU2067 HA GLU2067 3.844 -14.921 0.624 445 HB2 GLU2067 1HB GLU2067 3.715 -15.529 3.491 446 HB3 GLU2067 2HB GLU2067 3.745 -13.784 3.178 447 HG2 GLU2067 1HG GLU2067 1.828 -15.815 1.951 448 HG3 GLU2067 2HG GLU2067 1.421 -14.643 3.213 449 HE2 GLU2067 HE GLU2067 1.392 -11.955 0.981 450 H THR2068 H THR2068 6.893 -15.419 2.240 451 HA THR2068 HA THR2068 7.761 -12.819 2.644 452 HB THR2068 HB THR2068 9.136 -15.452 1.942 453 HG1 THR2068 1HG THR2068 9.608 -15.142 4.277 454 HG21 THR2068 3HG2 THR2068 10.376 -12.782 2.794 455 HG22 THR2068 1HG2 THR2068 11.223 -14.348 2.832 456 HG23 THR2068 2HG2 THR2068 10.707 -13.651 1.276 457 H SER2069 H SER2069 7.225 -14.590 -0.353 458 HA SER2069 HA SER2069 8.926 -13.013 -1.915 459 HB2 SER2069 1HB SER2069 7.945 -15.283 -2.493 460 HB3 SER2069 2HB SER2069 6.414 -14.463 -2.838 461 HG SER2069 HG SER2069 7.610 -14.717 -4.781 462 H PHE2070 H PHE2070 5.493 -12.783 -0.892 463 HA PHE2070 HA PHE2070 4.793 -10.705 -2.647 464 HB2 PHE2070 1HB PHE2070 3.179 -12.161 -1.458 465 HB3 PHE2070 2HB PHE2070 3.817 -11.655 0.109 466 HD1 PHE2070 1HD PHE2070 3.551 -9.161 0.709 467 HD2 PHE2070 2HD PHE2070 1.364 -11.063 -2.391 468 HE1 PHE2070 1HE PHE2070 1.828 -7.338 0.806 469 HE2 PHE2070 2HE PHE2070 -0.358 -9.240 -2.295 470 HZ PHE2070 HZ PHE2070 -0.106 -7.401 -0.697 471 H ASN2071 H ASN2071 5.738 -10.707 0.863 472 HA ASN2071 HA ASN2071 5.552 -7.997 1.205 473 HB2 ASN2071 1HB ASN2071 6.375 -10.226 2.713 474 HB3 ASN2071 2HB ASN2071 7.811 -9.192 2.687 475 HD21 ASN2071 1HD2 ASN2071 6.160 -9.866 4.927 476 HD22 ASN2071 2HD2 ASN2071 5.481 -8.406 5.564 477 H GLN2072 H GLN2072 8.049 -10.067 -0.273 478 HA GLN2072 HA GLN2072 10.042 -8.038 -0.222 479 HB2 GLN2072 1HB GLN2072 9.793 -10.845 -1.200 480 HB3 GLN2072 2HB GLN2072 10.996 -9.838 -2.022 481 HG2 GLN2072 1HG GLN2072 10.845 -9.954 1.002 482 HG3 GLN2072 2HG GLN2072 11.724 -11.195 0.096 483 HE21 GLN2072 1HE2 GLN2072 13.551 -10.387 1.311 484 HE22 GLN2072 2HE2 GLN2072 14.442 -9.016 0.743 485 H ALA2073 H ALA2073 7.661 -9.369 -2.564 486 HA ALA2073 HA ALA2073 8.579 -8.185 -4.869 487 HB1 ALA2073 3HB ALA2073 5.640 -8.378 -4.173 488 HB2 ALA2073 1HB ALA2073 6.444 -8.671 -5.734 489 HB3 ALA2073 2HB ALA2073 6.625 -9.842 -4.405 490 H TYR2074 H TYR2074 6.797 -6.803 -2.094 491 HA TYR2074 HA TYR2074 6.796 -4.213 -3.482 492 HB2 TYR2074 1HB TYR2074 5.338 -5.318 -1.007 493 HB3 TYR2074 2HB TYR2074 5.046 -3.722 -1.701 494 HD1 TYR2074 1HD TYR2074 4.497 -3.883 -4.379 495 HD2 TYR2074 2HD TYR2074 3.760 -6.931 -1.469 496 HE1 TYR2074 1HE TYR2074 2.697 -4.882 -5.871 497 HE2 TYR2074 2HE TYR2074 1.965 -7.923 -2.970 498 HH TYR2074 HH TYR2074 1.699 -7.684 -5.854 499 H GLY2075 H GLY2075 8.286 -6.092 -0.966 500 HA2 GLY2075 2HA GLY2075 8.875 -4.531 1.100 501 HA3 GLY2075 3HA GLY2075 10.088 -5.511 0.300 502 H ARG2076 H ARG2076 10.412 -4.205 -2.175 503 HA ARG2076 HA ARG2076 11.915 -1.972 -1.283 504 HB2 ARG2076 1HB ARG2076 11.909 -3.766 -3.524 505 HB3 ARG2076 2HB ARG2076 11.786 -2.123 -4.174 506 HG2 ARG2076 1HG ARG2076 13.929 -3.284 -2.363 507 HG3 ARG2076 2HG ARG2076 14.136 -2.604 -3.986 508 HD2 ARG2076 1HD ARG2076 12.972 -0.511 -2.554 509 HD3 ARG2076 2HD ARG2076 14.051 -1.249 -1.360 510 HE ARG2076 HE ARG2076 15.842 -0.362 -2.555 511 HH11 ARG2076 2HH2 ARG2076 13.093 -0.675 -4.769 512 HH12 ARG2076 1HH2 ARG2076 13.924 0.058 -6.101 513 H ASP2077 H ASP2077 8.944 -2.593 -3.213 514 HA ASP2077 HA ASP2077 8.609 -0.093 -4.264 515 HB2 ASP2077 1HB ASP2077 6.634 -2.203 -3.328 516 HB3 ASP2077 2HB ASP2077 6.091 -0.723 -4.133 517 HD2 ASP2077 HD ASP2077 7.236 -1.767 -7.249 518 H LEU2078 H LEU2078 7.067 -1.543 -1.285 519 HA LEU2078 HA LEU2078 5.837 0.741 -0.374 520 HB2 LEU2078 1HB LEU2078 6.965 -1.639 1.084 521 HB3 LEU2078 2HB LEU2078 5.977 -0.392 1.867 522 HG LEU2078 HG LEU2078 5.183 -2.407 -0.234 523 HD11 LEU2078 1HD1 LEU2078 4.293 -3.508 1.472 524 HD12 LEU2078 2HD1 LEU2078 4.976 -2.299 2.585 525 HD13 LEU2078 3HD1 LEU2078 3.334 -2.081 1.935 526 HD21 LEU2078 3HD2 LEU2078 4.020 0.273 0.280 527 HD22 LEU2078 1HD2 LEU2078 3.997 -0.736 -1.185 528 HD23 LEU2078 2HD2 LEU2078 2.873 -1.081 0.150 529 H MET2079 H MET2079 9.225 -0.382 0.018 530 HA MET2079 HA MET2079 9.993 1.404 1.944 531 HB2 MET2079 1HB MET2079 11.263 -0.201 -0.228 532 HB3 MET2079 2HB MET2079 12.243 1.163 0.334 533 HG2 MET2079 1HG MET2079 10.981 -0.871 2.221 534 HG3 MET2079 2HG MET2079 12.603 -1.073 1.554 535 HE1 MET2079 3HE MET2079 12.596 -1.434 4.057 536 HE2 MET2079 1HE MET2079 13.615 -0.269 4.937 537 HE3 MET2079 2HE MET2079 11.850 -0.257 5.162 538 H GLU2080 H GLU2080 9.899 1.786 -1.651 539 HA GLU2080 HA GLU2080 11.074 4.315 -1.628 540 HB2 GLU2080 1HB GLU2080 10.966 2.840 -3.613 541 HB3 GLU2080 2HB GLU2080 9.209 3.063 -3.693 542 HG2 GLU2080 1HG GLU2080 9.407 5.315 -4.342 543 HG3 GLU2080 2HG GLU2080 11.048 5.472 -3.695 544 HE2 GLU2080 HE GLU2080 12.193 5.036 -6.885 545 H ALA2081 H ALA2081 7.605 3.340 -2.172 546 HA ALA2081 HA ALA2081 6.544 5.875 -2.154 547 HB1 ALA2081 3HB ALA2081 4.644 4.699 -2.433 548 HB2 ALA2081 1HB ALA2081 5.637 3.229 -2.286 549 HB3 ALA2081 2HB ALA2081 4.825 3.901 -0.853 550 H GLN2082 H GLN2082 7.326 3.664 0.585 551 HA GLN2082 HA GLN2082 6.115 5.140 2.559 552 HB2 GLN2082 1HB GLN2082 6.927 2.882 2.934 553 HB3 GLN2082 2HB GLN2082 8.605 3.380 2.652 554 HG2 GLN2082 1HG GLN2082 7.674 5.123 4.652 555 HG3 GLN2082 2HG GLN2082 6.979 3.556 5.091 556 HE21 GLN2082 1HE2 GLN2082 8.399 3.810 6.947 557 HE22 GLN2082 2HE2 GLN2082 10.048 3.291 6.850 558 H GLU2083 H GLU2083 9.376 5.431 1.057 559 HA GLU2083 HA GLU2083 10.357 7.291 2.866 560 HB2 GLU2083 1HB GLU2083 12.196 6.907 1.646 561 HB3 GLU2083 2HB GLU2083 11.228 5.996 0.474 562 HG2 GLU2083 1HG GLU2083 10.734 8.069 -0.754 563 HG3 GLU2083 2HG GLU2083 11.609 9.028 0.449 564 HE2 GLU2083 HE GLU2083 13.636 6.793 -2.195 565 H TRP2084 H TRP2084 8.389 7.594 -0.116 566 HA TRP2084 HA TRP2084 8.619 10.425 -0.252 567 HB2 TRP2084 1HB TRP2084 6.651 8.506 -1.500 568 HB3 TRP2084 2HB TRP2084 6.776 10.223 -1.888 569 HD1 TRP2084 HD TRP2084 8.293 6.890 -2.786 570 HE1 TRP2084 1HE TRP2084 10.234 7.108 -4.561 571 HE3 TRP2084 3HE TRP2084 8.713 11.946 -2.478 572 HZ2 TRP2084 2HZ TRP2084 11.692 9.324 -5.614 573 HZ3 TRP2084 3HZ TRP2084 10.420 13.060 -3.914 574 HH2 TRP2084 HH TRP2084 11.880 11.833 -5.442 575 H CYS2085 H CYS2085 6.761 8.088 1.603 576 HA CYS2085 HA CYS2085 4.578 9.803 2.160 577 HB2 CYS2085 1HB CYS2085 5.501 7.126 2.991 578 HB3 CYS2085 2HB CYS2085 4.548 7.998 4.206 579 HG CYS2085 HG CYS2085 3.822 7.561 1.002 580 H ARG2086 H ARG2086 7.414 8.603 4.116 581 HA ARG2086 HA ARG2086 6.934 10.384 6.194 582 HB2 ARG2086 1HB ARG2086 9.088 9.658 7.058 583 HB3 ARG2086 2HB ARG2086 8.307 8.250 6.314 584 HG2 ARG2086 1HG ARG2086 9.688 9.317 4.182 585 HG3 ARG2086 2HG ARG2086 10.775 9.711 5.527 586 HD2 ARG2086 1HD ARG2086 10.524 7.249 6.239 587 HD3 ARG2086 2HD ARG2086 9.763 6.965 4.666 588 HE ARG2086 HE ARG2086 12.101 8.273 4.007 589 HH11 ARG2086 2HH2 ARG2086 11.417 5.418 5.990 590 HH12 ARG2086 1HH2 ARG2086 12.944 4.670 5.661 591 H LYS2087 H LYS2087 8.622 10.630 3.096 592 HA LYS2087 HA LYS2087 10.263 12.833 3.775 593 HB2 LYS2087 1HB LYS2087 10.898 11.451 1.960 594 HB3 LYS2087 2HB LYS2087 9.335 11.653 1.147 595 HG2 LYS2087 1HG LYS2087 10.748 14.185 1.760 596 HG3 LYS2087 2HG LYS2087 11.607 13.137 0.616 597 HD2 LYS2087 1HD LYS2087 8.849 13.125 -0.127 598 HD3 LYS2087 2HD LYS2087 9.287 14.816 0.169 599 HE2 LYS2087 1HE LYS2087 11.068 13.010 -1.489 600 HE3 LYS2087 2HE LYS2087 9.663 13.795 -2.225 601 HZ1 LYS2087 2HZ LYS2087 10.820 15.851 -0.965 602 HZ3 LYS2087 1HZ LYS2087 11.165 15.465 -2.509 603 H TYR2088 H TYR2088 6.987 12.461 2.303 604 HA TYR2088 HA TYR2088 6.659 15.248 1.883 605 HB2 TYR2088 1HB TYR2088 5.257 13.847 0.582 606 HB3 TYR2088 2HB TYR2088 5.095 12.652 1.875 607 HD1 TYR2088 2HD TYR2088 3.491 13.112 3.767 608 HD2 TYR2088 1HD TYR2088 3.644 15.553 0.257 609 HE1 TYR2088 2HE TYR2088 1.190 14.050 4.311 610 HE2 TYR2088 1HE TYR2088 1.342 16.483 0.813 611 HH TYR2088 HH TYR2088 -0.059 16.787 2.731 612 H MET2089 H MET2089 5.855 12.953 4.530 613 HA MET2089 HA MET2089 4.180 14.703 5.899 614 HB2 MET2089 1HB MET2089 5.865 12.276 6.622 615 HB3 MET2089 2HB MET2089 4.962 13.129 7.888 616 HG2 MET2089 1HG MET2089 3.034 12.845 5.937 617 HG3 MET2089 2HG MET2089 3.981 11.376 5.686 618 HE1 MET2089 3HE MET2089 0.994 12.671 8.359 619 HE2 MET2089 1HE MET2089 1.183 12.422 6.608 620 HE3 MET2089 2HE MET2089 0.609 11.088 7.639 621 H LYS2090 H LYS2090 7.732 14.189 5.923 622 HA LYS2090 HA LYS2090 8.041 16.056 8.114 623 HB2 LYS2090 1HB LYS2090 9.468 13.847 7.154 624 HB3 LYS2090 2HB LYS2090 10.502 15.245 6.821 625 HG2 LYS2090 1HG LYS2090 9.152 14.822 9.506 626 HG3 LYS2090 2HG LYS2090 10.738 14.120 9.141 627 HD2 LYS2090 1HD LYS2090 11.790 16.131 9.325 628 HD3 LYS2090 2HD LYS2090 10.503 17.000 8.470 629 HE2 LYS2090 1HE LYS2090 9.131 17.017 10.510 630 HE3 LYS2090 2HE LYS2090 10.340 16.049 11.371 631 HZ1 LYS2090 2HZ LYS2090 11.057 18.654 10.172 632 HZ3 LYS2090 1HZ LYS2090 11.823 17.856 11.366 633 H SER2091 H SER2091 8.592 15.826 4.565 634 HA SER2091 HA SER2091 9.716 18.443 4.516 635 HB2 SER2091 1HB SER2091 10.331 16.554 2.949 636 HB3 SER2091 2HB SER2091 8.753 16.753 2.171 637 HG SER2091 HG SER2091 9.467 18.505 1.149 638 H GLY2092 H GLY2092 6.901 17.011 2.700 639 HA2 GLY2092 2HA GLY2092 4.689 17.852 2.954 640 HA3 GLY2092 3HA GLY2092 5.341 19.423 3.375 641 H ASN2093 H ASN2093 4.656 17.141 0.736 642 HA ASN2093 HA ASN2093 4.485 19.325 -1.062 643 HB2 ASN2093 1HB ASN2093 6.982 18.005 -0.914 644 HB3 ASN2093 2HB ASN2093 6.203 17.306 -2.341 645 HD21 ASN2093 1HD2 ASN2093 8.516 18.933 -2.320 646 HD22 ASN2093 2HD2 ASN2093 8.186 20.400 -3.179 647 H VAL2094 H VAL2094 2.433 18.709 -1.805 648 HA VAL2094 HA VAL2094 1.348 16.223 -1.774 649 HB VAL2094 HB VAL2094 0.919 18.672 -3.440 650 HG11 VAL2094 1HG1 VAL2094 -0.684 16.108 -3.737 651 HG12 VAL2094 2HG1 VAL2094 -1.040 17.674 -4.506 652 HG13 VAL2094 3HG1 VAL2094 0.433 16.778 -4.951 653 HG21 VAL2094 3HG2 VAL2094 -0.013 18.988 -1.352 654 HG22 VAL2094 1HG2 VAL2094 -1.400 18.314 -2.242 655 HG23 VAL2094 2HG2 VAL2094 -0.443 17.271 -1.161 656 H LYS2095 H LYS2095 3.442 17.709 -4.295 657 HA LYS2095 HA LYS2095 3.149 15.860 -6.284 658 HB2 LYS2095 1HB LYS2095 4.523 18.058 -6.109 659 HB3 LYS2095 2HB LYS2095 5.853 16.995 -5.618 660 HG2 LYS2095 1HG LYS2095 5.239 15.601 -7.720 661 HG3 LYS2095 2HG LYS2095 4.306 17.015 -8.234 662 HD2 LYS2095 1HD LYS2095 6.199 17.939 -9.022 663 HD3 LYS2095 2HD LYS2095 6.866 17.966 -7.380 664 HE2 LYS2095 1HE LYS2095 8.079 16.015 -7.705 665 HE3 LYS2095 2HE LYS2095 6.936 15.360 -8.889 666 HZ1 LYS2095 2HZ LYS2095 9.100 17.307 -9.305 667 HZ3 LYS2095 1HZ LYS2095 7.810 17.366 -10.296 668 H ASP2096 H ASP2096 5.324 15.722 -3.395 669 HA ASP2096 HA ASP2096 6.478 13.304 -4.105 670 HB2 ASP2096 1HB ASP2096 5.973 14.449 -1.325 671 HB3 ASP2096 2HB ASP2096 7.158 13.191 -1.712 672 HD2 ASP2096 HD ASP2096 8.527 16.674 -1.540 673 H LEU2097 H LEU2097 3.556 14.237 -2.209 674 HA LEU2097 HA LEU2097 2.993 11.688 -1.182 675 HB2 LEU2097 1HB LEU2097 2.053 13.551 -0.139 676 HB3 LEU2097 2HB LEU2097 1.363 14.174 -1.648 677 HG LEU2097 HG LEU2097 -0.368 12.575 -1.637 678 HD11 LEU2097 1HD1 LEU2097 -0.311 10.830 0.372 679 HD12 LEU2097 2HD1 LEU2097 0.446 10.493 -1.204 680 HD13 LEU2097 3HD1 LEU2097 1.444 11.038 0.166 681 HD21 LEU2097 3HD2 LEU2097 -0.950 14.269 -0.128 682 HD22 LEU2097 1HD2 LEU2097 -1.309 12.756 0.739 683 HD23 LEU2097 2HD2 LEU2097 0.169 13.673 1.122 684 H THR2098 H THR2098 1.952 13.419 -4.179 685 HA THR2098 HA THR2098 0.182 11.464 -5.081 686 HB THR2098 HB THR2098 1.902 13.593 -6.441 687 HG1 THR2098 1HG THR2098 0.095 14.158 -4.977 688 HG21 THR2098 3HG2 THR2098 -0.044 13.281 -8.224 689 HG22 THR2098 1HG2 THR2098 1.394 12.236 -8.321 690 HG23 THR2098 2HG2 THR2098 -0.105 11.620 -7.585 691 H GLN2099 H GLN2099 3.742 11.791 -5.509 692 HA GLN2099 HA GLN2099 3.956 9.699 -7.313 693 HB2 GLN2099 1HB GLN2099 5.682 11.492 -5.918 694 HB3 GLN2099 2HB GLN2099 6.318 9.858 -5.657 695 HG2 GLN2099 1HG GLN2099 5.530 10.931 -8.392 696 HG3 GLN2099 2HG GLN2099 7.170 11.083 -7.744 697 HE21 GLN2099 1HE2 GLN2099 8.303 9.137 -7.157 698 HE22 GLN2099 2HE2 GLN2099 8.014 7.658 -8.010 699 H ALA2100 H ALA2100 3.994 9.813 -3.716 700 HA ALA2100 HA ALA2100 4.756 7.134 -3.349 701 HB1 ALA2100 3HB ALA2100 4.679 7.736 -1.169 702 HB2 ALA2100 1HB ALA2100 4.344 9.375 -1.775 703 HB3 ALA2100 2HB ALA2100 3.000 8.312 -1.297 704 H TRP2101 H TRP2101 1.589 8.798 -3.752 705 HA TRP2101 HA TRP2101 0.012 6.553 -3.152 706 HB2 TRP2101 1HB TRP2101 -0.347 9.260 -4.006 707 HB3 TRP2101 2HB TRP2101 -1.348 8.203 -5.003 708 HD1 TRP2101 HD TRP2101 -1.402 9.929 -1.715 709 HE1 TRP2101 1HE TRP2101 -3.377 9.142 -0.153 710 HE3 TRP2101 3HE TRP2101 -2.601 5.797 -4.427 711 HZ2 TRP2101 2HZ TRP2101 -5.178 6.930 -0.223 712 HZ3 TRP2101 3HZ TRP2101 -4.480 4.377 -3.610 713 HH2 TRP2101 HH TRP2101 -5.752 4.887 -1.586 714 H ASP2102 H ASP2102 1.776 7.697 -6.033 715 HA ASP2102 HA ASP2102 0.447 6.126 -7.889 716 HB2 ASP2102 1HB ASP2102 2.640 7.921 -7.815 717 HB3 ASP2102 2HB ASP2102 3.291 6.421 -8.492 718 HD2 ASP2102 HD ASP2102 2.186 8.334 -11.285 719 H LEU2103 H LEU2103 3.539 5.670 -6.021 720 HA LEU2103 HA LEU2103 4.233 3.201 -7.037 721 HB2 LEU2103 1HB LEU2103 4.779 4.697 -4.520 722 HB3 LEU2103 2HB LEU2103 5.295 3.007 -4.640 723 HG LEU2103 HG LEU2103 6.393 3.827 -6.885 724 HD11 LEU2103 1HD1 LEU2103 6.170 6.419 -5.329 725 HD12 LEU2103 2HD1 LEU2103 7.202 6.150 -6.755 726 HD13 LEU2103 3HD1 LEU2103 5.431 6.055 -6.909 727 HD21 LEU2103 3HD2 LEU2103 8.473 4.254 -5.704 728 HD22 LEU2103 1HD2 LEU2103 7.582 4.530 -4.188 729 HD23 LEU2103 2HD2 LEU2103 7.584 2.914 -4.937 730 H TYR2104 H TYR2104 2.176 4.026 -4.171 731 HA TYR2104 HA TYR2104 1.680 1.433 -3.347 732 HB2 TYR2104 1HB TYR2104 0.213 4.116 -3.370 733 HB3 TYR2104 2HB TYR2104 -0.571 2.714 -2.634 734 HD1 TYR2104 1HD TYR2104 1.722 1.392 -1.294 735 HD2 TYR2104 2HD TYR2104 0.709 5.538 -1.589 736 HE1 TYR2104 1HE TYR2104 2.967 1.858 0.873 737 HE2 TYR2104 2HE TYR2104 1.957 5.990 0.578 738 HH TYR2104 HH TYR2104 3.822 4.935 1.833 739 H TYR2105 H TYR2105 -0.243 3.522 -5.616 740 HA TYR2105 HA TYR2105 -2.312 1.839 -6.125 741 HB2 TYR2105 1HB TYR2105 -1.619 4.218 -6.996 742 HB3 TYR2105 2HB TYR2105 -0.675 3.375 -8.229 743 HD1 TYR2105 1HD TYR2105 -3.329 1.258 -7.813 744 HD2 TYR2105 2HD TYR2105 -2.513 5.182 -9.310 745 HE1 TYR2105 1HE TYR2105 -5.398 1.134 -9.287 746 HE2 TYR2105 2HE TYR2105 -4.585 5.044 -10.780 747 HH TYR2105 HH TYR2105 -6.764 3.801 -10.702 748 H HIS2106 H HIS2106 0.961 1.808 -7.676 749 HA HIS2106 HA HIS2106 0.348 -0.243 -9.470 750 HB2 HIS2106 1HB HIS2106 2.261 1.393 -9.557 751 HB3 HIS2106 2HB HIS2106 3.071 0.419 -8.324 752 HD1 HIS2106 1HD HIS2106 2.921 0.836 -11.882 753 HD2 HIS2106 2HD HIS2106 3.279 -2.463 -9.317 754 HE1 HIS2106 1HE HIS2106 3.866 -1.067 -13.294 755 HE2 HIS2106 2HE HIS2106 4.066 -3.078 -11.668 756 H VAL2107 H VAL2107 1.612 -0.217 -6.103 757 HA VAL2107 HA VAL2107 2.174 -2.976 -6.022 758 HB VAL2107 HB VAL2107 1.809 -0.765 -4.036 759 HG11 VAL2107 1HG1 VAL2107 0.803 -2.491 -2.789 760 HG12 VAL2107 2HG1 VAL2107 1.926 -3.722 -3.419 761 HG13 VAL2107 3HG1 VAL2107 2.505 -2.495 -2.266 762 HG21 VAL2107 3HG2 VAL2107 4.015 -2.206 -5.322 763 HG22 VAL2107 1HG2 VAL2107 3.990 -0.607 -4.541 764 HG23 VAL2107 2HG2 VAL2107 4.202 -2.073 -3.556 765 H PHE2108 H PHE2108 -0.607 -1.034 -4.705 766 HA PHE2108 HA PHE2108 -2.075 -3.266 -3.918 767 HB2 PHE2108 1HB PHE2108 -2.614 -0.362 -4.679 768 HB3 PHE2108 2HB PHE2108 -3.975 -1.406 -4.255 769 HD1 PHE2108 2HD PHE2108 -0.730 -0.126 -2.964 770 HD2 PHE2108 1HD PHE2108 -4.550 -1.711 -2.015 771 HE1 PHE2108 2HE PHE2108 -0.325 0.356 -0.534 772 HE2 PHE2108 1HE PHE2108 -4.146 -1.229 0.415 773 HZ PHE2108 HZ PHE2108 -2.039 -0.201 1.127 774 H ARG2109 H ARG2109 -1.663 -1.658 -7.057 775 HA ARG2109 HA ARG2109 -3.995 -2.775 -8.171 776 HB2 ARG2109 1HB ARG2109 -3.080 -0.757 -9.144 777 HB3 ARG2109 2HB ARG2109 -1.495 -1.512 -9.391 778 HG2 ARG2109 1HG ARG2109 -2.638 -3.155 -10.954 779 HG3 ARG2109 2HG ARG2109 -4.110 -2.178 -10.819 780 HD2 ARG2109 1HD ARG2109 -1.850 -0.459 -11.405 781 HD3 ARG2109 2HD ARG2109 -1.889 -1.782 -12.579 782 HE ARG2109 HE ARG2109 -4.525 -0.643 -12.164 783 HH11 ARG2109 2HH2 ARG2109 -1.461 -0.094 -13.856 784 HH12 ARG2109 1HH2 ARG2109 -2.181 0.862 -15.108 785 H ARG2110 H ARG2110 -0.617 -3.773 -7.734 786 HA ARG2110 HA ARG2110 -0.643 -5.742 -9.727 787 HB2 ARG2110 1HB ARG2110 1.146 -4.815 -7.570 788 HB3 ARG2110 2HB ARG2110 1.265 -6.562 -7.846 789 HG2 ARG2110 1HG ARG2110 1.232 -4.795 -10.263 790 HG3 ARG2110 2HG ARG2110 2.693 -4.738 -9.261 791 HD2 ARG2110 1HD ARG2110 1.681 -7.472 -9.797 792 HD3 ARG2110 2HD ARG2110 2.189 -6.601 -11.253 793 HE ARG2110 HE ARG2110 4.185 -6.232 -9.255 794 HH11 ARG2110 2HH2 ARG2110 2.857 -8.852 -11.238 795 HH12 ARG2110 1HH2 ARG2110 4.329 -9.764 -11.239 796 H ILE2111 H ILE2111 -1.009 -5.802 -6.111 797 HA ILE2111 HA ILE2111 -1.254 -8.481 -5.720 798 HB ILE2111 HB ILE2111 -2.797 -7.787 -3.810 799 HG12 ILE2111 1HG1 ILE2111 -2.072 -5.030 -4.824 800 HG13 ILE2111 2HG1 ILE2111 -3.690 -5.748 -4.869 801 HG21 ILE2111 1HG2 ILE2111 -0.974 -7.324 -2.516 802 HG22 ILE2111 2HG2 ILE2111 -0.157 -7.948 -3.969 803 HG23 ILE2111 3HG2 ILE2111 -0.274 -6.193 -3.697 804 HD11 ILE2111 3HD1 ILE2111 -3.858 -4.588 -2.876 805 HD12 ILE2111 1HD1 ILE2111 -3.157 -6.099 -2.244 806 HD13 ILE2111 2HD1 ILE2111 -2.113 -4.688 -2.546 807 H SER2112 H SER2112 -3.516 -6.248 -7.281 808 HA SER2112 HA SER2112 -5.626 -8.182 -7.176 809 HB2 SER2112 1HB SER2112 -6.201 -5.827 -6.998 810 HB3 SER2112 2HB SER2112 -5.391 -5.462 -8.533 811 HG SER2112 HG SER2112 -7.577 -7.339 -8.352 812 H LYS2113 H LYS2113 -3.532 -6.583 -9.678 813 HA LYS2113 HA LYS2113 -4.446 -7.703 -11.939 814 HB2 LYS2113 1HB LYS2113 -2.049 -6.469 -11.038 815 HB3 LYS2113 2HB LYS2113 -1.592 -7.866 -12.030 816 HG2 LYS2113 1HG LYS2113 -2.418 -6.927 -13.940 817 HG3 LYS2113 2HG LYS2113 -3.833 -6.242 -13.123 818 HD2 LYS2113 1HD LYS2113 -2.801 -4.242 -12.782 819 HD3 LYS2113 2HD LYS2113 -1.261 -4.994 -12.332 820 HE2 LYS2113 1HE LYS2113 -1.851 -5.416 -15.160 821 HE3 LYS2113 2HE LYS2113 -1.891 -3.689 -14.769 822 HZ1 LYS2113 2HZ LYS2113 0.334 -3.704 -14.502 823 HZ3 LYS2113 1HZ LYS2113 0.361 -5.180 -15.189 824 H GLN2114 H GLN2114 -4.256 -9.654 -13.088 825 HA GLN2114 HA GLN2114 -3.761 -11.897 -11.354 826 HB2 GLN2114 1HB GLN2114 -5.755 -11.502 -13.048 827 HB3 GLN2114 2HB GLN2114 -4.621 -12.175 -14.233 828 HG2 GLN2114 1HG GLN2114 -4.350 -13.947 -12.144 829 HG3 GLN2114 2HG GLN2114 -6.056 -13.500 -11.988 830 HE21 GLN2114 1HE2 GLN2114 -5.510 -16.034 -12.554 831 HE22 GLN2114 2HE2 GLN2114 -5.871 -16.443 -14.198 Start of MODEL 10 1 H MET2014 H MET2014 -4.292 -22.991 -6.623 2 HA MET2014 HA MET2014 -5.013 -20.279 -5.836 3 HB2 MET2014 1HB MET2014 -3.433 -21.252 -8.136 4 HB3 MET2014 2HB MET2014 -4.810 -20.264 -8.654 5 HG2 MET2014 1HG MET2014 -3.664 -18.399 -8.084 6 HG3 MET2014 2HG MET2014 -3.598 -18.946 -6.405 7 HE1 MET2014 3HE MET2014 -1.624 -19.107 -5.262 8 HE2 MET2014 1HE MET2014 0.019 -19.021 -5.942 9 HE3 MET2014 2HE MET2014 -1.114 -17.668 -6.178 10 H GLU2015 H GLU2015 -7.103 -19.580 -6.472 11 HA GLU2015 HA GLU2015 -8.697 -21.706 -7.680 12 HB2 GLU2015 1HB GLU2015 -9.455 -19.593 -5.630 13 HB3 GLU2015 2HB GLU2015 -10.640 -20.636 -6.434 14 HG2 GLU2015 1HG GLU2015 -8.247 -21.848 -5.039 15 HG3 GLU2015 2HG GLU2015 -9.644 -21.329 -4.081 16 HE2 GLU2015 HE GLU2015 -11.479 -24.073 -4.954 17 H LEU2016 H LEU2016 -7.755 -18.287 -7.681 18 HA LEU2016 HA LEU2016 -8.549 -17.949 -10.341 19 HB2 LEU2016 1HB LEU2016 -10.709 -17.814 -8.675 20 HB3 LEU2016 2HB LEU2016 -10.240 -16.110 -8.811 21 HG LEU2016 HG LEU2016 -11.834 -16.432 -10.487 22 HD11 LEU2016 1HD1 LEU2016 -10.350 -15.199 -11.666 23 HD12 LEU2016 2HD1 LEU2016 -9.021 -16.359 -11.429 24 HD13 LEU2016 3HD1 LEU2016 -10.266 -16.672 -12.661 25 HD21 LEU2016 3HD2 LEU2016 -10.501 -18.838 -11.683 26 HD22 LEU2016 1HD2 LEU2016 -11.564 -19.024 -10.266 27 HD23 LEU2016 2HD2 LEU2016 -12.200 -18.311 -11.766 28 H ILE2017 H ILE2017 -9.086 -15.016 -9.964 29 HA ILE2017 HA ILE2017 -6.631 -14.002 -10.268 30 HB ILE2017 HB ILE2017 -9.186 -12.903 -9.210 31 HG12 ILE2017 1HG1 ILE2017 -7.930 -11.455 -11.352 32 HG13 ILE2017 2HG1 ILE2017 -7.942 -13.187 -11.728 33 HG21 ILE2017 1HG2 ILE2017 -7.437 -11.809 -7.842 34 HG22 ILE2017 2HG2 ILE2017 -6.640 -11.265 -9.336 35 HG23 ILE2017 3HG2 ILE2017 -8.275 -10.683 -8.937 36 HD11 ILE2017 3HD1 ILE2017 -10.467 -12.930 -10.772 37 HD12 ILE2017 1HD1 ILE2017 -10.221 -11.272 -11.373 38 HD13 ILE2017 2HD1 ILE2017 -10.060 -12.655 -12.483 39 H ARG2018 H ARG2018 -8.355 -14.042 -7.064 40 HA ARG2018 HA ARG2018 -6.013 -14.869 -5.769 41 HB2 ARG2018 1HB ARG2018 -5.279 -12.930 -4.691 42 HB3 ARG2018 2HB ARG2018 -5.746 -12.267 -6.266 43 HG2 ARG2018 1HG ARG2018 -7.518 -12.334 -3.788 44 HG3 ARG2018 2HG ARG2018 -6.609 -10.914 -4.334 45 HD2 ARG2018 1HD ARG2018 -7.951 -10.662 -6.269 46 HD3 ARG2018 2HD ARG2018 -8.560 -12.324 -6.190 47 HE ARG2018 HE ARG2018 -10.212 -11.598 -4.700 48 HH11 ARG2018 2HH2 ARG2018 -7.657 -9.148 -4.839 49 HH12 ARG2018 1HH2 ARG2018 -8.533 -8.002 -3.878 50 H VAL2019 H VAL2019 -6.426 -14.463 -3.176 51 HA VAL2019 HA VAL2019 -9.135 -15.421 -2.761 52 HB VAL2019 HB VAL2019 -6.556 -15.459 -1.242 53 HG11 VAL2019 1HG1 VAL2019 -7.726 -16.347 0.743 54 HG12 VAL2019 2HG1 VAL2019 -8.179 -14.660 0.402 55 HG13 VAL2019 3HG1 VAL2019 -9.289 -15.984 -0.026 56 HG21 VAL2019 3HG2 VAL2019 -8.577 -17.661 -1.751 57 HG22 VAL2019 1HG2 VAL2019 -7.246 -17.268 -2.866 58 HG23 VAL2019 2HG2 VAL2019 -6.888 -17.825 -1.214 59 HA PRO2020 HA PRO2020 -10.399 -11.550 -1.274 60 HB2 PRO2020 1HB PRO2020 -12.826 -12.267 -0.246 61 HB3 PRO2020 2HB PRO2020 -12.566 -11.926 -1.954 62 HG2 PRO2020 1HG PRO2020 -12.872 -14.511 -0.566 63 HG3 PRO2020 2HG PRO2020 -13.093 -14.141 -2.315 64 HD2 PRO2020 1HD PRO2020 -10.904 -15.474 -1.039 65 HD3 PRO2020 2HD PRO2020 -11.000 -14.993 -2.737 66 H ILE2021 H ILE2021 -10.042 -14.304 0.729 67 HA ILE2021 HA ILE2021 -10.067 -12.544 3.071 68 HB ILE2021 HB ILE2021 -10.164 -15.559 2.925 69 HG12 ILE2021 1HG1 ILE2021 -12.380 -13.537 3.300 70 HG13 ILE2021 2HG1 ILE2021 -12.171 -14.637 1.928 71 HG21 ILE2021 1HG2 ILE2021 -9.386 -13.977 5.038 72 HG22 ILE2021 2HG2 ILE2021 -11.123 -14.215 5.346 73 HG23 ILE2021 3HG2 ILE2021 -10.052 -15.623 5.157 74 HD11 ILE2021 3HD1 ILE2021 -13.763 -15.185 4.066 75 HD12 ILE2021 1HD1 ILE2021 -12.956 -16.453 3.110 76 HD13 ILE2021 2HD1 ILE2021 -12.235 -15.896 4.640 77 H LEU2022 H LEU2022 -7.932 -12.091 1.403 78 HA LEU2022 HA LEU2022 -5.769 -13.356 2.923 79 HB2 LEU2022 1HB LEU2022 -6.314 -13.984 0.340 80 HB3 LEU2022 2HB LEU2022 -5.154 -12.658 0.134 81 HG LEU2022 HG LEU2022 -4.461 -14.833 2.054 82 HD11 LEU2022 1HD1 LEU2022 -3.481 -16.133 0.088 83 HD12 LEU2022 2HD1 LEU2022 -5.236 -16.255 0.357 84 HD13 LEU2022 3HD1 LEU2022 -4.605 -15.207 -0.937 85 HD21 LEU2022 3HD2 LEU2022 -2.588 -13.634 2.007 86 HD22 LEU2022 1HD2 LEU2022 -2.318 -14.269 0.365 87 HD23 LEU2022 2HD2 LEU2022 -3.134 -12.703 0.592 88 H TRP2023 H TRP2023 -3.619 -11.964 2.315 89 HA TRP2023 HA TRP2023 -3.874 -9.571 3.580 90 HB2 TRP2023 1HB TRP2023 -1.872 -10.769 1.742 91 HB3 TRP2023 2HB TRP2023 -1.738 -9.041 2.076 92 HD1 TRP2023 HD TRP2023 -3.046 -10.890 5.068 93 HE1 TRP2023 1HE TRP2023 -1.213 -11.239 6.933 94 HE3 TRP2023 3HE TRP2023 0.910 -9.538 2.174 95 HZ2 TRP2023 2HZ TRP2023 1.622 -10.918 6.989 96 HZ3 TRP2023 3HZ TRP2023 3.177 -9.583 3.211 97 HH2 TRP2023 HH TRP2023 3.567 -10.242 5.532 98 H HIS2024 H HIS2024 -4.117 -10.330 0.054 99 HA HIS2024 HA HIS2024 -4.224 -7.825 -0.969 100 HB2 HIS2024 1HB HIS2024 -6.144 -9.916 -1.934 101 HB3 HIS2024 2HB HIS2024 -5.177 -8.766 -2.867 102 HD1 HIS2024 1HD HIS2024 -5.307 -12.252 -1.949 103 HD2 HIS2024 2HD HIS2024 -2.237 -9.474 -2.628 104 HE1 HIS2024 1HE HIS2024 -3.194 -13.613 -2.387 105 HE2 HIS2024 2HE HIS2024 -1.331 -11.856 -2.797 106 H GLU2025 H GLU2025 -6.493 -9.375 1.198 107 HA GLU2025 HA GLU2025 -8.716 -7.811 0.490 108 HB2 GLU2025 1HB GLU2025 -8.736 -10.022 1.724 109 HB3 GLU2025 2HB GLU2025 -8.182 -9.159 3.169 110 HG2 GLU2025 1HG GLU2025 -10.289 -7.589 2.445 111 HG3 GLU2025 2HG GLU2025 -10.855 -9.148 1.826 112 HE2 GLU2025 HE GLU2025 -10.144 -8.827 5.777 113 H MET2026 H MET2026 -5.970 -7.449 2.751 114 HA MET2026 HA MET2026 -7.118 -5.248 4.100 115 HB2 MET2026 1HB MET2026 -5.073 -5.233 5.307 116 HB3 MET2026 2HB MET2026 -5.202 -6.927 4.811 117 HG2 MET2026 1HG MET2026 -3.032 -6.515 4.123 118 HG3 MET2026 2HG MET2026 -3.868 -5.986 2.658 119 HE1 MET2026 3HE MET2026 -1.134 -5.450 3.453 120 HE2 MET2026 1HE MET2026 -0.755 -3.715 3.547 121 HE3 MET2026 2HE MET2026 -1.006 -4.653 5.038 122 H TRP2027 H TRP2027 -5.110 -5.708 1.201 123 HA TRP2027 HA TRP2027 -4.266 -2.993 1.045 124 HB2 TRP2027 1HB TRP2027 -4.287 -5.254 -0.951 125 HB3 TRP2027 2HB TRP2027 -3.601 -3.659 -1.274 126 HD1 TRP2027 HD TRP2027 -3.003 -6.712 1.062 127 HE1 TRP2027 1HE TRP2027 -0.484 -6.812 1.844 128 HE3 TRP2027 3HE TRP2027 -1.626 -2.294 -1.047 129 HZ2 TRP2027 2HZ TRP2027 1.751 -5.071 1.499 130 HZ3 TRP2027 3HZ TRP2027 0.743 -1.568 -0.777 131 HH2 TRP2027 HH TRP2027 2.406 -2.877 0.443 132 H HIS2028 H HIS2028 -6.977 -5.006 -0.176 133 HA HIS2028 HA HIS2028 -7.965 -3.039 -1.935 134 HB2 HIS2028 1HB HIS2028 -8.844 -4.989 -2.578 135 HB3 HIS2028 2HB HIS2028 -8.750 -5.698 -0.961 136 HD1 HIS2028 1HD HIS2028 -11.049 -3.857 -3.288 137 HD2 HIS2028 2HD HIS2028 -11.076 -5.331 0.640 138 HE1 HIS2028 1HE HIS2028 -13.479 -3.784 -2.514 139 HE2 HIS2028 2HE HIS2028 -13.442 -4.698 -0.088 140 H GLU2029 H GLU2029 -9.054 -4.161 1.349 141 HA GLU2029 HA GLU2029 -10.926 -2.084 1.555 142 HB2 GLU2029 1HB GLU2029 -11.218 -2.847 3.847 143 HB3 GLU2029 2HB GLU2029 -11.072 -4.259 2.783 144 HG2 GLU2029 1HG GLU2029 -9.573 -4.911 4.394 145 HG3 GLU2029 2HG GLU2029 -8.456 -3.930 3.433 146 HE2 GLU2029 HE GLU2029 -7.790 -2.251 6.346 147 H GLY2030 H GLY2030 -7.506 -2.505 2.516 148 HA2 GLY2030 2HA GLY2030 -7.245 -0.372 4.286 149 HA3 GLY2030 3HA GLY2030 -5.977 -1.052 3.288 150 H LEU2031 H LEU2031 -6.242 -0.421 0.787 151 HA LEU2031 HA LEU2031 -5.907 2.349 0.667 152 HB2 LEU2031 1HB LEU2031 -5.355 0.168 -0.905 153 HB3 LEU2031 2HB LEU2031 -6.562 1.046 -1.861 154 HG LEU2031 HG LEU2031 -5.165 3.039 -1.826 155 HD11 LEU2031 1HD1 LEU2031 -2.671 2.305 -0.920 156 HD12 LEU2031 2HD1 LEU2031 -3.841 3.325 -0.049 157 HD13 LEU2031 3HD1 LEU2031 -3.758 1.577 0.287 158 HD21 LEU2031 3HD2 LEU2031 -4.316 2.198 -3.695 159 HD22 LEU2031 1HD2 LEU2031 -2.988 1.497 -2.738 160 HD23 LEU2031 2HD2 LEU2031 -4.454 0.541 -3.064 161 H GLU2032 H GLU2032 -8.735 0.238 0.325 162 HA GLU2032 HA GLU2032 -10.374 1.872 -1.110 163 HB2 GLU2032 1HB GLU2032 -10.700 -0.318 0.860 164 HB3 GLU2032 2HB GLU2032 -12.123 0.722 0.678 165 HG2 GLU2032 1HG GLU2032 -10.670 -0.351 -1.750 166 HG3 GLU2032 2HG GLU2032 -11.838 -1.372 -0.895 167 HE2 GLU2032 HE GLU2032 -13.349 0.781 -3.558 168 H GLU2033 H GLU2033 -9.898 1.765 2.490 169 HA GLU2033 HA GLU2033 -11.626 3.967 2.875 170 HB2 GLU2033 1HB GLU2033 -10.919 2.026 4.499 171 HB3 GLU2033 2HB GLU2033 -9.556 3.085 4.899 172 HG2 GLU2033 1HG GLU2033 -10.921 4.680 5.889 173 HG3 GLU2033 2HG GLU2033 -12.321 4.282 4.880 174 HE2 GLU2033 HE GLU2033 -12.719 3.029 8.330 175 H ALA2034 H ALA2034 -8.028 3.488 3.004 176 HA ALA2034 HA ALA2034 -7.306 6.044 3.682 177 HB1 ALA2034 3HB ALA2034 -5.786 4.100 3.542 178 HB2 ALA2034 1HB ALA2034 -5.928 4.114 1.768 179 HB3 ALA2034 2HB ALA2034 -5.155 5.478 2.608 180 H SER2035 H SER2035 -8.160 4.674 0.456 181 HA SER2035 HA SER2035 -7.532 7.061 -0.893 182 HB2 SER2035 1HB SER2035 -8.551 6.000 -2.826 183 HB3 SER2035 2HB SER2035 -7.589 4.790 -1.957 184 HG SER2035 HG SER2035 -10.462 5.149 -1.834 185 H ARG2036 H ARG2036 -10.605 5.494 0.231 186 HA ARG2036 HA ARG2036 -12.372 7.246 -0.797 187 HB2 ARG2036 1HB ARG2036 -12.299 5.297 1.366 188 HB3 ARG2036 2HB ARG2036 -13.325 6.667 1.829 189 HG2 ARG2036 1HG ARG2036 -14.331 6.368 -0.584 190 HG3 ARG2036 2HG ARG2036 -13.620 4.746 -0.498 191 HD2 ARG2036 1HD ARG2036 -15.018 4.094 1.269 192 HD3 ARG2036 2HD ARG2036 -15.310 5.755 1.802 193 HE ARG2036 HE ARG2036 -17.119 5.836 0.334 194 HH11 ARG2036 2HH2 ARG2036 -14.926 3.273 -0.749 195 HH12 ARG2036 1HH2 ARG2036 -15.979 2.737 -2.017 196 H LEU2037 H LEU2037 -10.677 7.449 2.415 197 HA LEU2037 HA LEU2037 -11.824 9.943 3.080 198 HB2 LEU2037 1HB LEU2037 -10.286 9.935 4.910 199 HB3 LEU2037 2HB LEU2037 -11.023 8.333 4.728 200 HG LEU2037 HG LEU2037 -8.757 7.948 3.325 201 HD11 LEU2037 1HD1 LEU2037 -7.705 10.021 3.548 202 HD12 LEU2037 2HD1 LEU2037 -8.156 10.176 5.263 203 HD13 LEU2037 3HD1 LEU2037 -6.911 9.001 4.772 204 HD21 LEU2037 3HD2 LEU2037 -7.806 6.945 5.403 205 HD22 LEU2037 1HD2 LEU2037 -9.128 7.706 6.321 206 HD23 LEU2037 2HD2 LEU2037 -9.496 6.487 5.077 207 H TYR2038 H TYR2038 -8.664 8.920 1.652 208 HA TYR2038 HA TYR2038 -7.454 11.389 1.569 209 HB2 TYR2038 1HB TYR2038 -6.310 9.310 0.986 210 HB3 TYR2038 2HB TYR2038 -7.530 8.902 -0.226 211 HD1 TYR2038 1HD TYR2038 -5.118 11.700 0.488 212 HD2 TYR2038 2HD TYR2038 -6.870 9.111 -2.435 213 HE1 TYR2038 1HE TYR2038 -3.655 12.732 -1.316 214 HE2 TYR2038 2HE TYR2038 -5.402 10.154 -4.228 215 HH TYR2038 HH TYR2038 -2.954 11.406 -4.046 216 H PHE2039 H PHE2039 -9.532 9.820 -0.967 217 HA PHE2039 HA PHE2039 -9.439 12.133 -2.613 218 HB2 PHE2039 1HB PHE2039 -11.033 9.532 -2.421 219 HB3 PHE2039 2HB PHE2039 -11.439 10.724 -3.661 220 HD1 PHE2039 1HD PHE2039 -9.321 11.534 -5.069 221 HD2 PHE2039 2HD PHE2039 -9.590 7.845 -2.991 222 HE1 PHE2039 1HE PHE2039 -7.551 10.567 -6.561 223 HE2 PHE2039 2HE PHE2039 -7.819 6.876 -4.482 224 HZ PHE2039 HZ PHE2039 -6.820 8.248 -6.249 225 H GLY2040 H GLY2040 -11.883 10.656 -0.387 226 HA2 GLY2040 2HA GLY2040 -13.967 12.445 -0.890 227 HA3 GLY2040 3HA GLY2040 -13.726 11.510 0.572 228 H GLU2041 H GLU2041 -11.487 12.460 1.780 229 HA GLU2041 HA GLU2041 -12.053 15.314 2.017 230 HB2 GLU2041 1HB GLU2041 -12.694 13.700 3.954 231 HB3 GLU2041 2HB GLU2041 -10.954 13.626 4.283 232 HG2 GLU2041 1HG GLU2041 -11.889 15.364 5.670 233 HG3 GLU2041 2HG GLU2041 -10.963 16.168 4.392 234 HE2 GLU2041 HE GLU2041 -14.832 16.811 4.762 235 H ARG2042 H ARG2042 -10.179 16.686 2.669 236 HA ARG2042 HA ARG2042 -7.854 15.750 1.305 237 HB2 ARG2042 1HB ARG2042 -7.051 18.153 2.087 238 HB3 ARG2042 2HB ARG2042 -8.264 18.011 0.803 239 HG2 ARG2042 1HG ARG2042 -8.778 19.699 2.643 240 HG3 ARG2042 2HG ARG2042 -10.058 18.513 2.331 241 HD2 ARG2042 1HD ARG2042 -9.255 17.158 4.252 242 HD3 ARG2042 2HD ARG2042 -7.972 18.337 4.561 243 HE ARG2042 HE ARG2042 -10.765 18.568 5.310 244 HH11 ARG2042 2HH2 ARG2042 -7.952 20.489 4.335 245 HH12 ARG2042 1HH2 ARG2042 -8.504 21.927 5.125 246 H ASN2043 H ASN2043 -8.222 14.135 3.529 247 HA ASN2043 HA ASN2043 -6.144 15.133 5.312 248 HB2 ASN2043 1HB ASN2043 -8.788 13.807 5.903 249 HB3 ASN2043 2HB ASN2043 -7.425 13.425 6.969 250 HD21 ASN2043 1HD2 ASN2043 -8.918 14.451 8.522 251 HD22 ASN2043 2HD2 ASN2043 -8.841 16.166 8.753 252 H VAL2044 H VAL2044 -4.535 13.927 4.062 253 HA VAL2044 HA VAL2044 -4.902 11.236 3.337 254 HB VAL2044 HB VAL2044 -2.513 11.295 2.858 255 HG11 VAL2044 1HG1 VAL2044 -2.929 13.904 1.780 256 HG12 VAL2044 2HG1 VAL2044 -3.100 12.328 0.974 257 HG13 VAL2044 3HG1 VAL2044 -4.497 13.062 1.796 258 HG21 VAL2044 3HG2 VAL2044 -1.100 13.158 3.402 259 HG22 VAL2044 1HG2 VAL2044 -2.467 14.069 4.085 260 HG23 VAL2044 2HG2 VAL2044 -1.873 12.606 4.907 261 H LYS2045 H LYS2045 -4.468 12.740 6.380 262 HA LYS2045 HA LYS2045 -2.765 11.070 7.723 263 HB2 LYS2045 1HB LYS2045 -3.887 11.779 9.725 264 HB3 LYS2045 2HB LYS2045 -3.769 13.150 8.608 265 HG2 LYS2045 1HG LYS2045 -5.986 13.376 9.122 266 HG3 LYS2045 2HG LYS2045 -6.192 12.148 7.860 267 HD2 LYS2045 1HD LYS2045 -5.843 10.451 9.839 268 HD3 LYS2045 2HD LYS2045 -6.254 11.829 10.874 269 HE2 LYS2045 1HE LYS2045 -8.165 11.806 8.769 270 HE3 LYS2045 2HE LYS2045 -8.007 10.123 9.295 271 HZ1 LYS2045 2HZ LYS2045 -9.012 12.424 10.774 272 HZ3 LYS2045 1HZ LYS2045 -8.144 11.354 11.644 273 H GLY2046 H GLY2046 -6.180 10.557 6.753 274 HA2 GLY2046 2HA GLY2046 -6.759 8.295 8.244 275 HA3 GLY2046 3HA GLY2046 -7.424 8.688 6.672 276 H MET2047 H MET2047 -5.096 8.608 5.037 277 HA MET2047 HA MET2047 -4.932 5.857 4.619 278 HB2 MET2047 1HB MET2047 -4.652 7.318 2.741 279 HB3 MET2047 2HB MET2047 -3.436 8.305 3.571 280 HG2 MET2047 1HG MET2047 -1.970 6.170 3.579 281 HG3 MET2047 2HG MET2047 -3.127 5.498 2.427 282 HE1 MET2047 3HE MET2047 -1.394 8.535 3.479 283 HE2 MET2047 1HE MET2047 -0.176 8.807 2.211 284 HE3 MET2047 2HE MET2047 -1.760 9.612 2.111 285 H PHE2048 H PHE2048 -2.437 8.256 5.752 286 HA PHE2048 HA PHE2048 -0.367 6.529 6.129 287 HB2 PHE2048 1HB PHE2048 -1.438 9.025 7.502 288 HB3 PHE2048 2HB PHE2048 0.015 8.264 8.158 289 HD1 PHE2048 1HD PHE2048 2.048 8.094 6.707 290 HD2 PHE2048 2HD PHE2048 -1.353 10.358 5.561 291 HE1 PHE2048 1HE PHE2048 3.437 9.328 5.018 292 HE2 PHE2048 2HE PHE2048 0.036 11.592 3.873 293 HZ PHE2048 HZ PHE2048 2.415 11.063 3.621 294 H GLU2049 H GLU2049 -3.081 7.290 8.397 295 HA GLU2049 HA GLU2049 -2.012 5.597 10.397 296 HB2 GLU2049 1HB GLU2049 -4.137 6.043 11.570 297 HB3 GLU2049 2HB GLU2049 -3.418 7.544 10.961 298 HG2 GLU2049 1HG GLU2049 -5.648 7.787 10.316 299 HG3 GLU2049 2HG GLU2049 -4.947 7.084 8.850 300 HE2 GLU2049 HE GLU2049 -7.892 5.164 9.536 301 H VAL2050 H VAL2050 -3.777 5.102 7.472 302 HA VAL2050 HA VAL2050 -5.111 2.714 8.401 303 HB VAL2050 HB VAL2050 -4.977 4.302 5.864 304 HG11 VAL2050 1HG1 VAL2050 -6.119 1.496 6.089 305 HG12 VAL2050 2HG1 VAL2050 -6.308 2.592 4.698 306 HG13 VAL2050 3HG1 VAL2050 -4.696 1.978 5.134 307 HG21 VAL2050 3HG2 VAL2050 -7.514 3.233 6.992 308 HG22 VAL2050 1HG2 VAL2050 -6.651 4.444 7.971 309 HG23 VAL2050 2HG2 VAL2050 -7.142 4.833 6.306 310 H LEU2051 H LEU2051 -2.340 3.665 6.286 311 HA LEU2051 HA LEU2051 -1.701 0.932 5.730 312 HB2 LEU2051 1HB LEU2051 0.230 3.145 5.301 313 HB3 LEU2051 2HB LEU2051 -0.151 1.749 4.279 314 HG LEU2051 HG LEU2051 -1.488 4.423 4.475 315 HD11 LEU2051 1HD1 LEU2051 0.268 3.673 2.730 316 HD12 LEU2051 2HD1 LEU2051 -1.072 2.752 2.007 317 HD13 LEU2051 3HD1 LEU2051 -1.194 4.521 2.173 318 HD21 LEU2051 3HD2 LEU2051 -3.527 3.526 4.554 319 HD22 LEU2051 1HD2 LEU2051 -3.218 2.948 2.899 320 HD23 LEU2051 2HD2 LEU2051 -2.908 1.879 4.288 321 H GLU2052 H GLU2052 -0.523 3.537 7.923 322 HA GLU2052 HA GLU2052 1.737 2.582 8.855 323 HB2 GLU2052 1HB GLU2052 -0.486 4.110 9.976 324 HB3 GLU2052 2HB GLU2052 0.381 3.218 11.238 325 HG2 GLU2052 1HG GLU2052 2.064 4.619 9.210 326 HG3 GLU2052 2HG GLU2052 1.153 5.669 10.304 327 HE2 GLU2052 HE GLU2052 4.433 4.629 11.702 328 HA PRO2053 HA PRO2053 -0.422 -0.663 11.555 329 HB2 PRO2053 1HB PRO2053 -3.108 -1.088 11.301 330 HB3 PRO2053 2HB PRO2053 -2.410 -0.046 12.538 331 HG2 PRO2053 1HG PRO2053 -3.785 0.652 10.022 332 HG3 PRO2053 2HG PRO2053 -3.515 1.679 11.477 333 HD2 PRO2053 1HD PRO2053 -2.162 1.772 8.954 334 HD3 PRO2053 2HD PRO2053 -1.753 2.696 10.406 335 H LEU2054 H LEU2054 -2.303 -0.540 8.564 336 HA LEU2054 HA LEU2054 -2.396 -3.223 8.084 337 HB2 LEU2054 1HB LEU2054 -2.508 -0.754 6.485 338 HB3 LEU2054 2HB LEU2054 -2.144 -2.233 5.581 339 HG LEU2054 HG LEU2054 -4.233 -3.086 5.873 340 HD11 LEU2054 1HD1 LEU2054 -4.418 -3.455 8.143 341 HD12 LEU2054 2HD1 LEU2054 -4.174 -1.740 8.556 342 HD13 LEU2054 3HD1 LEU2054 -5.722 -2.277 7.859 343 HD21 LEU2054 3HD2 LEU2054 -5.909 -1.400 5.562 344 HD22 LEU2054 1HD2 LEU2054 -4.887 -0.164 6.333 345 HD23 LEU2054 2HD2 LEU2054 -4.413 -0.857 4.764 346 H HIS2055 H HIS2055 0.173 -0.909 6.961 347 HA HIS2055 HA HIS2055 1.772 -2.884 5.839 348 HB2 HIS2055 1HB HIS2055 2.369 -0.125 6.911 349 HB3 HIS2055 2HB HIS2055 3.591 -1.124 6.114 350 HD1 HIS2055 1HD HIS2055 3.186 1.373 4.661 351 HD2 HIS2055 2HD HIS2055 0.574 -1.864 4.103 352 HE1 HIS2055 1HE HIS2055 2.050 1.750 2.407 353 HE2 HIS2055 2HE HIS2055 0.452 -0.271 2.111 354 H ALA2056 H ALA2056 1.906 -1.301 9.105 355 HA ALA2056 HA ALA2056 4.090 -2.636 10.086 356 HB1 ALA2056 3HB ALA2056 1.547 -1.613 11.397 357 HB2 ALA2056 1HB ALA2056 2.925 -2.245 12.330 358 HB3 ALA2056 2HB ALA2056 3.134 -0.810 11.297 359 H MET2057 H MET2057 0.596 -3.620 10.220 360 HA MET2057 HA MET2057 0.902 -5.914 11.621 361 HB2 MET2057 1HB MET2057 -1.329 -5.921 11.149 362 HB3 MET2057 2HB MET2057 -1.070 -4.654 9.938 363 HG2 MET2057 1HG MET2057 -0.631 -6.348 8.213 364 HG3 MET2057 2HG MET2057 -0.716 -7.644 9.410 365 HE1 MET2057 3HE MET2057 -3.914 -7.415 6.876 366 HE2 MET2057 1HE MET2057 -2.763 -6.081 6.624 367 HE3 MET2057 2HE MET2057 -2.164 -7.740 6.863 368 H MET2058 H MET2058 1.586 -5.304 8.157 369 HA MET2058 HA MET2058 1.871 -8.015 7.493 370 HB2 MET2058 1HB MET2058 3.021 -5.475 6.226 371 HB3 MET2058 2HB MET2058 2.959 -7.054 5.423 372 HG2 MET2058 1HG MET2058 0.339 -6.283 6.483 373 HG3 MET2058 2HG MET2058 0.967 -5.046 5.388 374 HE1 MET2058 3HE MET2058 -1.590 -7.909 3.862 375 HE2 MET2058 1HE MET2058 -0.967 -8.489 5.426 376 HE3 MET2058 2HE MET2058 -1.524 -6.806 5.258 377 H GLU2059 H GLU2059 4.020 -5.542 8.873 378 HA GLU2059 HA GLU2059 6.369 -7.044 8.331 379 HB2 GLU2059 1HB GLU2059 6.172 -4.847 10.394 380 HB3 GLU2059 2HB GLU2059 7.541 -5.260 9.349 381 HG2 GLU2059 1HG GLU2059 5.804 -4.647 7.421 382 HG3 GLU2059 2HG GLU2059 5.029 -3.713 8.711 383 HE2 GLU2059 HE GLU2059 7.822 -1.951 6.878 384 H ARG2060 H ARG2060 4.746 -6.024 11.431 385 HA ARG2060 HA ARG2060 6.193 -7.924 12.897 386 HB2 ARG2060 1HB ARG2060 4.696 -7.265 14.766 387 HB3 ARG2060 2HB ARG2060 5.292 -5.835 13.905 388 HG2 ARG2060 1HG ARG2060 3.153 -5.806 12.592 389 HG3 ARG2060 2HG ARG2060 2.558 -7.160 13.573 390 HD2 ARG2060 1HD ARG2060 1.684 -5.067 14.471 391 HD3 ARG2060 2HD ARG2060 2.854 -5.722 15.626 392 HE ARG2060 HE ARG2060 4.008 -3.854 13.679 393 HH11 ARG2060 2HH2 ARG2060 2.433 -4.142 16.839 394 HH12 ARG2060 1HH2 ARG2060 3.058 -2.638 17.427 395 H GLY2061 H GLY2061 3.294 -8.021 10.952 396 HA2 GLY2061 2HA GLY2061 2.531 -10.617 12.151 397 HA3 GLY2061 3HA GLY2061 1.413 -9.496 11.397 398 HA PRO2062 HA PRO2062 4.040 -11.507 7.978 399 HB2 PRO2062 1HB PRO2062 5.564 -13.682 8.621 400 HB3 PRO2062 2HB PRO2062 6.216 -12.049 8.503 401 HG2 PRO2062 1HG PRO2062 5.556 -13.661 10.886 402 HG3 PRO2062 2HG PRO2062 6.644 -12.231 10.762 403 HD2 PRO2062 1HD PRO2062 3.996 -12.368 11.846 404 HD3 PRO2062 2HD PRO2062 4.964 -10.907 11.606 405 H GLN2063 H GLN2063 4.384 -14.159 7.175 406 HA GLN2063 HA GLN2063 1.943 -15.419 8.052 407 HB2 GLN2063 1HB GLN2063 1.831 -13.838 5.816 408 HB3 GLN2063 2HB GLN2063 2.229 -15.407 5.093 409 HG2 GLN2063 1HG GLN2063 0.026 -15.881 5.235 410 HG3 GLN2063 2HG GLN2063 0.252 -16.024 6.984 411 HE21 GLN2063 1HE2 GLN2063 -0.874 -14.747 8.243 412 HE22 GLN2063 2HE2 GLN2063 -1.700 -13.293 7.789 413 H THR2064 H THR2064 4.096 -15.825 5.155 414 HA THR2064 HA THR2064 5.529 -17.984 6.362 415 HB THR2064 HB THR2064 4.578 -19.592 4.491 416 HG1 THR2064 1HG THR2064 2.656 -17.410 4.861 417 HG21 THR2064 3HG2 THR2064 3.103 -20.532 6.038 418 HG22 THR2064 1HG2 THR2064 3.991 -19.451 7.139 419 HG23 THR2064 2HG2 THR2064 2.413 -18.953 6.486 420 H LEU2065 H LEU2065 6.476 -19.274 4.104 421 HA LEU2065 HA LEU2065 8.287 -17.330 3.163 422 HB2 LEU2065 1HB LEU2065 8.571 -19.843 3.525 423 HB3 LEU2065 2HB LEU2065 7.832 -20.031 1.923 424 HG LEU2065 HG LEU2065 10.181 -20.139 1.634 425 HD11 LEU2065 1HD1 LEU2065 8.764 -18.610 0.102 426 HD12 LEU2065 2HD1 LEU2065 9.647 -17.276 0.882 427 HD13 LEU2065 3HD1 LEU2065 10.539 -18.535 -0.005 428 HD21 LEU2065 3HD2 LEU2065 11.553 -19.273 3.145 429 HD22 LEU2065 1HD2 LEU2065 11.228 -17.659 2.467 430 HD23 LEU2065 2HD2 LEU2065 10.246 -18.269 3.820 431 H LYS2066 H LYS2066 5.151 -18.532 2.062 432 HA LYS2066 HA LYS2066 5.444 -17.685 -0.623 433 HB2 LYS2066 1HB LYS2066 3.366 -18.828 1.105 434 HB3 LYS2066 2HB LYS2066 2.741 -17.746 -0.150 435 HG2 LYS2066 1HG LYS2066 4.820 -19.807 -0.872 436 HG3 LYS2066 2HG LYS2066 3.142 -20.330 -0.653 437 HD2 LYS2066 1HD LYS2066 2.371 -18.960 -2.430 438 HD3 LYS2066 2HD LYS2066 3.840 -17.967 -2.433 439 HE2 LYS2066 1HE LYS2066 4.580 -20.719 -2.876 440 HE3 LYS2066 2HE LYS2066 3.267 -20.314 -3.991 441 HZ1 LYS2066 2HZ LYS2066 5.389 -18.336 -3.737 442 HZ3 LYS2066 1HZ LYS2066 4.597 -18.824 -5.072 443 H GLU2067 H GLU2067 4.132 -16.206 2.391 444 HA GLU2067 HA GLU2067 3.317 -13.876 1.002 445 HB2 GLU2067 1HB GLU2067 2.348 -14.852 3.175 446 HB3 GLU2067 2HB GLU2067 3.735 -14.123 4.003 447 HG2 GLU2067 1HG GLU2067 2.192 -12.404 4.184 448 HG3 GLU2067 2HG GLU2067 2.960 -11.949 2.655 449 HE2 GLU2067 HE GLU2067 0.063 -12.314 0.892 450 H THR2068 H THR2068 6.312 -15.097 2.248 451 HA THR2068 HA THR2068 7.543 -12.680 3.002 452 HB THR2068 HB THR2068 8.552 -15.405 2.044 453 HG1 THR2068 1HG THR2068 7.427 -15.231 4.119 454 HG21 THR2068 3HG2 THR2068 10.133 -13.220 3.490 455 HG22 THR2068 1HG2 THR2068 10.742 -14.791 2.916 456 HG23 THR2068 2HG2 THR2068 10.290 -13.531 1.743 457 H SER2069 H SER2069 7.054 -14.281 -0.153 458 HA SER2069 HA SER2069 8.887 -12.629 -1.488 459 HB2 SER2069 1HB SER2069 6.750 -14.578 -2.235 460 HB3 SER2069 2HB SER2069 7.255 -13.434 -3.492 461 HG SER2069 HG SER2069 9.516 -14.161 -2.926 462 H PHE2070 H PHE2070 5.460 -12.387 -0.562 463 HA PHE2070 HA PHE2070 4.746 -10.346 -2.353 464 HB2 PHE2070 1HB PHE2070 3.192 -11.814 -1.038 465 HB3 PHE2070 2HB PHE2070 3.802 -11.127 0.472 466 HD1 PHE2070 1HD PHE2070 3.337 -8.696 0.952 467 HD2 PHE2070 2HD PHE2070 1.457 -10.780 -2.232 468 HE1 PHE2070 1HE PHE2070 1.552 -6.934 0.852 469 HE2 PHE2070 2HE PHE2070 -0.328 -9.020 -2.330 470 HZ PHE2070 HZ PHE2070 -0.259 -7.118 -0.788 471 H ASN2071 H ASN2071 5.765 -10.263 1.138 472 HA ASN2071 HA ASN2071 5.628 -7.512 1.341 473 HB2 ASN2071 1HB ASN2071 5.801 -9.151 3.251 474 HB3 ASN2071 2HB ASN2071 7.503 -9.418 2.839 475 HD21 ASN2071 1HD2 ASN2071 5.547 -7.910 4.913 476 HD22 ASN2071 2HD2 ASN2071 6.471 -6.508 5.336 477 H GLN2072 H GLN2072 8.049 -9.760 0.034 478 HA GLN2072 HA GLN2072 10.160 -7.857 0.087 479 HB2 GLN2072 1HB GLN2072 9.798 -10.607 -1.131 480 HB3 GLN2072 2HB GLN2072 11.254 -9.650 -1.448 481 HG2 GLN2072 1HG GLN2072 10.622 -9.645 1.394 482 HG3 GLN2072 2HG GLN2072 10.720 -11.310 0.797 483 HE21 GLN2072 1HE2 GLN2072 12.412 -8.894 2.162 484 HE22 GLN2072 2HE2 GLN2072 14.022 -9.240 1.625 485 H ALA2073 H ALA2073 8.092 -9.374 -2.489 486 HA ALA2073 HA ALA2073 9.066 -8.176 -4.695 487 HB1 ALA2073 3HB ALA2073 6.094 -8.370 -4.110 488 HB2 ALA2073 1HB ALA2073 6.926 -8.562 -5.671 489 HB3 ALA2073 2HB ALA2073 7.107 -9.804 -4.409 490 H TYR2074 H TYR2074 6.788 -6.731 -2.283 491 HA TYR2074 HA TYR2074 7.046 -4.171 -3.667 492 HB2 TYR2074 1HB TYR2074 5.415 -5.103 -1.230 493 HB3 TYR2074 2HB TYR2074 5.131 -3.616 -2.141 494 HD1 TYR2074 2HD TYR2074 5.200 -4.523 -4.926 495 HD2 TYR2074 1HD TYR2074 3.525 -6.429 -1.483 496 HE1 TYR2074 2HE TYR2074 3.553 -5.768 -6.408 497 HE2 TYR2074 1HE TYR2074 1.882 -7.668 -2.976 498 HH TYR2074 HH TYR2074 1.464 -6.831 -6.279 499 H GLY2075 H GLY2075 8.387 -5.965 -1.029 500 HA2 GLY2075 2HA GLY2075 8.800 -4.310 1.035 501 HA3 GLY2075 3HA GLY2075 10.052 -5.352 0.386 502 H ARG2076 H ARG2076 10.384 -4.066 -2.203 503 HA ARG2076 HA ARG2076 12.036 -1.942 -1.321 504 HB2 ARG2076 1HB ARG2076 11.817 -3.670 -3.618 505 HB3 ARG2076 2HB ARG2076 11.843 -1.995 -4.197 506 HG2 ARG2076 1HG ARG2076 13.862 -3.283 -2.312 507 HG3 ARG2076 2HG ARG2076 14.137 -2.930 -4.026 508 HD2 ARG2076 1HD ARG2076 13.227 -0.506 -2.849 509 HD3 ARG2076 2HD ARG2076 14.411 -1.176 -1.717 510 HE ARG2076 HE ARG2076 15.537 -1.425 -4.291 511 HH11 ARG2076 2HH2 ARG2076 14.466 1.217 -2.185 512 HH12 ARG2076 1HH2 ARG2076 15.592 2.360 -2.840 513 H ASP2077 H ASP2077 9.185 -2.294 -3.551 514 HA ASP2077 HA ASP2077 8.960 0.302 -4.302 515 HB2 ASP2077 1HB ASP2077 6.801 -1.760 -3.697 516 HB3 ASP2077 2HB ASP2077 6.467 -0.229 -4.524 517 HD2 ASP2077 HD ASP2077 7.364 -1.467 -7.555 518 H LEU2078 H LEU2078 7.334 -1.417 -1.525 519 HA LEU2078 HA LEU2078 5.967 0.734 -0.492 520 HB2 LEU2078 1HB LEU2078 7.162 -1.705 0.799 521 HB3 LEU2078 2HB LEU2078 6.134 -0.556 1.674 522 HG LEU2078 HG LEU2078 5.417 -2.445 -0.561 523 HD11 LEU2078 1HD1 LEU2078 4.215 -3.563 0.973 524 HD12 LEU2078 2HD1 LEU2078 5.267 -2.725 2.140 525 HD13 LEU2078 3HD1 LEU2078 3.651 -2.077 1.773 526 HD21 LEU2078 3HD2 LEU2078 4.475 -0.382 -1.312 527 HD22 LEU2078 1HD2 LEU2078 3.163 -1.354 -0.603 528 HD23 LEU2078 2HD2 LEU2078 3.864 0.001 0.315 529 H MET2079 H MET2079 9.407 -0.197 -0.178 530 HA MET2079 HA MET2079 9.996 1.525 1.915 531 HB2 MET2079 1HB MET2079 11.327 -0.408 0.560 532 HB3 MET2079 2HB MET2079 12.027 0.996 -0.263 533 HG2 MET2079 1HG MET2079 12.169 1.740 2.410 534 HG3 MET2079 2HG MET2079 12.452 -0.002 2.500 535 HE1 MET2079 3HE MET2079 15.036 3.192 0.471 536 HE2 MET2079 1HE MET2079 13.269 3.111 0.291 537 HE3 MET2079 2HE MET2079 13.985 3.414 1.890 538 H GLU2080 H GLU2080 10.170 1.954 -1.677 539 HA GLU2080 HA GLU2080 11.263 4.507 -1.550 540 HB2 GLU2080 1HB GLU2080 11.312 3.084 -3.561 541 HB3 GLU2080 2HB GLU2080 9.553 3.226 -3.728 542 HG2 GLU2080 1HG GLU2080 9.688 5.544 -4.251 543 HG3 GLU2080 2HG GLU2080 11.351 5.677 -3.654 544 HE2 GLU2080 HE GLU2080 12.444 5.269 -6.860 545 H ALA2081 H ALA2081 7.843 3.438 -2.207 546 HA ALA2081 HA ALA2081 6.711 5.943 -2.276 547 HB1 ALA2081 3HB ALA2081 5.235 3.658 -1.003 548 HB2 ALA2081 1HB ALA2081 4.702 4.795 -2.265 549 HB3 ALA2081 2HB ALA2081 5.811 3.466 -2.676 550 H GLN2082 H GLN2082 7.479 3.814 0.530 551 HA GLN2082 HA GLN2082 6.178 5.338 2.426 552 HB2 GLN2082 1HB GLN2082 6.942 3.083 2.888 553 HB3 GLN2082 2HB GLN2082 8.636 3.548 2.652 554 HG2 GLN2082 1HG GLN2082 7.614 5.350 4.580 555 HG3 GLN2082 2HG GLN2082 6.960 3.771 5.038 556 HE21 GLN2082 1HE2 GLN2082 8.147 2.921 6.558 557 HE22 GLN2082 2HE2 GLN2082 9.877 2.866 6.636 558 H GLU2083 H GLU2083 9.455 5.596 0.979 559 HA GLU2083 HA GLU2083 10.410 7.474 2.800 560 HB2 GLU2083 1HB GLU2083 12.282 7.032 1.654 561 HB3 GLU2083 2HB GLU2083 11.343 6.118 0.459 562 HG2 GLU2083 1HG GLU2083 10.927 8.182 -0.813 563 HG3 GLU2083 2HG GLU2083 11.776 9.143 0.409 564 HE2 GLU2083 HE GLU2083 13.820 6.952 -2.239 565 H TRP2084 H TRP2084 8.524 7.717 -0.237 566 HA TRP2084 HA TRP2084 8.811 10.511 -0.526 567 HB2 TRP2084 1HB TRP2084 6.822 8.517 -1.593 568 HB3 TRP2084 2HB TRP2084 6.785 10.232 -2.008 569 HD1 TRP2084 HD TRP2084 8.546 7.008 -2.919 570 HE1 TRP2084 1HE TRP2084 10.324 7.349 -4.839 571 HE3 TRP2084 3HE TRP2084 8.468 12.092 -2.811 572 HZ2 TRP2084 2HZ TRP2084 11.472 9.653 -6.069 573 HZ3 TRP2084 3HZ TRP2084 9.949 13.311 -4.404 574 HH2 TRP2084 HH TRP2084 11.414 12.174 -5.994 575 H CYS2085 H CYS2085 6.665 8.321 1.309 576 HA CYS2085 HA CYS2085 4.714 10.240 1.920 577 HB2 CYS2085 1HB CYS2085 5.222 7.491 2.492 578 HB3 CYS2085 2HB CYS2085 4.862 8.315 4.019 579 HG CYS2085 HG CYS2085 3.181 8.256 1.170 580 H ARG2086 H ARG2086 7.525 8.882 3.802 581 HA ARG2086 HA ARG2086 7.232 10.526 5.966 582 HB2 ARG2086 1HB ARG2086 9.409 8.879 4.768 583 HB3 ARG2086 2HB ARG2086 9.959 10.131 5.897 584 HG2 ARG2086 1HG ARG2086 9.576 8.394 7.374 585 HG3 ARG2086 2HG ARG2086 7.971 9.145 7.397 586 HD2 ARG2086 1HD ARG2086 7.467 7.509 5.401 587 HD3 ARG2086 2HD ARG2086 8.881 6.618 5.987 588 HE ARG2086 HE ARG2086 6.263 6.853 7.293 589 HH11 ARG2086 2HH2 ARG2086 9.690 6.095 7.771 590 HH12 ARG2086 1HH2 ARG2086 9.412 5.163 9.207 591 H LYS2087 H LYS2087 9.097 10.967 2.901 592 HA LYS2087 HA LYS2087 10.363 13.346 3.636 593 HB2 LYS2087 1HB LYS2087 11.245 12.152 1.827 594 HB3 LYS2087 2HB LYS2087 9.687 12.061 0.990 595 HG2 LYS2087 1HG LYS2087 10.459 14.829 1.529 596 HG3 LYS2087 2HG LYS2087 11.718 13.988 0.610 597 HD2 LYS2087 1HD LYS2087 9.083 13.318 -0.422 598 HD3 LYS2087 2HD LYS2087 9.282 15.079 -0.372 599 HE2 LYS2087 1HE LYS2087 11.618 13.545 -1.405 600 HE3 LYS2087 2HE LYS2087 10.170 13.482 -2.421 601 HZ1 LYS2087 2HZ LYS2087 11.643 15.899 -1.543 602 HZ3 LYS2087 1HZ LYS2087 10.160 15.988 -2.213 603 H TYR2088 H TYR2088 7.106 12.606 2.384 604 HA TYR2088 HA TYR2088 6.488 15.324 1.786 605 HB2 TYR2088 1HB TYR2088 5.147 13.750 0.643 606 HB3 TYR2088 2HB TYR2088 5.216 12.587 1.973 607 HD1 TYR2088 2HD TYR2088 3.649 12.804 3.889 608 HD2 TYR2088 1HD TYR2088 3.383 15.366 0.472 609 HE1 TYR2088 2HE TYR2088 1.299 13.487 4.574 610 HE2 TYR2088 1HE TYR2088 1.033 16.040 1.171 611 HH TYR2088 HH TYR2088 -0.656 15.561 2.493 612 H MET2089 H MET2089 5.884 13.071 4.545 613 HA MET2089 HA MET2089 4.190 14.778 5.917 614 HB2 MET2089 1HB MET2089 6.086 12.539 6.745 615 HB3 MET2089 2HB MET2089 5.042 13.337 7.931 616 HG2 MET2089 1HG MET2089 3.225 12.764 5.960 617 HG3 MET2089 2HG MET2089 4.350 11.419 5.746 618 HE1 MET2089 3HE MET2089 1.213 12.506 8.157 619 HE2 MET2089 1HE MET2089 1.402 11.855 6.511 620 HE3 MET2089 2HE MET2089 0.983 10.767 7.857 621 H LYS2090 H LYS2090 7.737 14.615 5.669 622 HA LYS2090 HA LYS2090 8.031 16.524 7.840 623 HB2 LYS2090 1HB LYS2090 9.562 14.399 6.894 624 HB3 LYS2090 2HB LYS2090 10.461 15.842 6.397 625 HG2 LYS2090 1HG LYS2090 9.334 15.623 9.194 626 HG3 LYS2090 2HG LYS2090 10.858 14.813 8.794 627 HD2 LYS2090 1HD LYS2090 11.990 16.765 8.864 628 HD3 LYS2090 2HD LYS2090 10.824 17.565 7.795 629 HE2 LYS2090 1HE LYS2090 9.783 18.577 9.538 630 HE3 LYS2090 2HE LYS2090 9.754 17.093 10.505 631 HZ1 LYS2090 2HZ LYS2090 11.288 19.194 11.095 632 HZ3 LYS2090 1HZ LYS2090 12.355 18.361 10.190 633 H SER2091 H SER2091 8.657 16.216 4.286 634 HA SER2091 HA SER2091 9.436 18.934 4.129 635 HB2 SER2091 1HB SER2091 10.161 16.981 2.619 636 HB3 SER2091 2HB SER2091 8.597 17.164 1.803 637 HG SER2091 HG SER2091 9.722 18.570 0.618 638 H GLY2092 H GLY2092 6.714 17.106 2.531 639 HA2 GLY2092 2HA GLY2092 4.454 17.735 2.730 640 HA3 GLY2092 3HA GLY2092 4.936 19.377 3.113 641 H ASN2093 H ASN2093 3.908 17.232 0.634 642 HA ASN2093 HA ASN2093 3.713 19.285 -1.213 643 HB2 ASN2093 1HB ASN2093 6.283 18.008 -1.192 644 HB3 ASN2093 2HB ASN2093 5.448 17.444 -2.647 645 HD21 ASN2093 1HD2 ASN2093 7.295 19.846 -1.254 646 HD22 ASN2093 2HD2 ASN2093 7.080 21.121 -2.406 647 H VAL2094 H VAL2094 1.859 18.610 -2.306 648 HA VAL2094 HA VAL2094 0.814 16.061 -2.047 649 HB VAL2094 HB VAL2094 0.303 18.435 -3.794 650 HG11 VAL2094 1HG1 VAL2094 -0.545 15.655 -4.369 651 HG12 VAL2094 2HG1 VAL2094 -1.843 16.873 -4.397 652 HG13 VAL2094 3HG1 VAL2094 -0.417 17.067 -5.446 653 HG21 VAL2094 3HG2 VAL2094 -1.053 17.016 -1.518 654 HG22 VAL2094 1HG2 VAL2094 -0.685 18.747 -1.727 655 HG23 VAL2094 2HG2 VAL2094 -2.022 18.001 -2.639 656 H LYS2095 H LYS2095 2.896 17.529 -4.583 657 HA LYS2095 HA LYS2095 2.701 15.608 -6.516 658 HB2 LYS2095 1HB LYS2095 3.900 17.759 -6.685 659 HB3 LYS2095 2HB LYS2095 5.208 17.101 -5.687 660 HG2 LYS2095 1HG LYS2095 5.446 15.243 -7.396 661 HG3 LYS2095 2HG LYS2095 4.283 16.103 -8.421 662 HD2 LYS2095 1HD LYS2095 5.780 17.783 -8.932 663 HD3 LYS2095 2HD LYS2095 6.618 17.676 -7.375 664 HE2 LYS2095 1HE LYS2095 8.132 16.189 -8.181 665 HE3 LYS2095 2HE LYS2095 6.894 15.227 -9.004 666 HZ1 LYS2095 2HZ LYS2095 7.085 16.537 -10.899 667 HZ3 LYS2095 1HZ LYS2095 8.631 16.562 -10.388 668 H ASP2096 H ASP2096 4.769 15.618 -3.551 669 HA ASP2096 HA ASP2096 6.020 13.211 -4.170 670 HB2 ASP2096 1HB ASP2096 5.461 14.165 -1.347 671 HB3 ASP2096 2HB ASP2096 6.887 13.303 -1.943 672 HD2 ASP2096 HD ASP2096 7.886 16.694 -1.396 673 H LEU2097 H LEU2097 3.019 14.143 -2.422 674 HA LEU2097 HA LEU2097 2.497 11.664 -1.237 675 HB2 LEU2097 1HB LEU2097 1.445 14.164 -1.148 676 HB3 LEU2097 2HB LEU2097 0.184 13.292 -2.036 677 HG LEU2097 HG LEU2097 1.258 12.696 0.731 678 HD11 LEU2097 1HD1 LEU2097 -1.468 13.581 -0.253 679 HD12 LEU2097 2HD1 LEU2097 -1.077 13.120 1.423 680 HD13 LEU2097 3HD1 LEU2097 -0.301 14.544 0.685 681 HD21 LEU2097 3HD2 LEU2097 0.271 10.664 0.788 682 HD22 LEU2097 1HD2 LEU2097 -1.033 11.136 -0.328 683 HD23 LEU2097 2HD2 LEU2097 0.578 10.726 -0.963 684 H THR2098 H THR2098 1.629 13.077 -4.438 685 HA THR2098 HA THR2098 -0.012 10.936 -5.242 686 HB THR2098 HB THR2098 1.612 13.043 -6.764 687 HG1 THR2098 1HG THR2098 -0.172 13.625 -5.217 688 HG21 THR2098 3HG2 THR2098 0.340 10.762 -7.857 689 HG22 THR2098 1HG2 THR2098 -0.869 12.061 -7.999 690 HG23 THR2098 2HG2 THR2098 0.741 12.260 -8.730 691 H GLN2099 H GLN2099 3.513 11.586 -5.714 692 HA GLN2099 HA GLN2099 4.020 9.466 -7.348 693 HB2 GLN2099 1HB GLN2099 5.505 11.358 -5.798 694 HB3 GLN2099 2HB GLN2099 6.228 9.764 -5.523 695 HG2 GLN2099 1HG GLN2099 7.311 10.088 -7.483 696 HG3 GLN2099 2HG GLN2099 5.757 9.785 -8.275 697 HE21 GLN2099 1HE2 GLN2099 8.178 11.578 -8.748 698 HE22 GLN2099 2HE2 GLN2099 7.521 13.150 -9.059 699 H ALA2100 H ALA2100 4.109 9.590 -3.721 700 HA ALA2100 HA ALA2100 4.843 6.925 -3.361 701 HB1 ALA2100 3HB ALA2100 4.336 7.319 -1.082 702 HB2 ALA2100 1HB ALA2100 4.801 8.917 -1.713 703 HB3 ALA2100 2HB ALA2100 3.082 8.519 -1.478 704 H TRP2101 H TRP2101 1.625 8.539 -3.653 705 HA TRP2101 HA TRP2101 0.088 6.286 -3.081 706 HB2 TRP2101 1HB TRP2101 -0.298 8.972 -4.043 707 HB3 TRP2101 2HB TRP2101 -1.323 7.849 -4.939 708 HD1 TRP2101 HD TRP2101 -1.189 9.687 -1.684 709 HE1 TRP2101 1HE TRP2101 -3.134 9.004 -0.036 710 HE3 TRP2101 3HE TRP2101 -2.654 5.570 -4.284 711 HZ2 TRP2101 2HZ TRP2101 -5.023 6.865 -0.005 712 HZ3 TRP2101 3HZ TRP2101 -4.556 4.239 -3.378 713 HH2 TRP2101 HH TRP2101 -5.728 4.828 -1.314 714 H ASP2102 H ASP2102 1.879 7.371 -5.958 715 HA ASP2102 HA ASP2102 0.564 5.760 -7.798 716 HB2 ASP2102 1HB ASP2102 2.436 7.694 -7.959 717 HB3 ASP2102 2HB ASP2102 3.509 6.292 -8.095 718 HD2 ASP2102 HD ASP2102 2.902 6.834 -11.461 719 H LEU2103 H LEU2103 3.646 5.374 -5.898 720 HA LEU2103 HA LEU2103 4.389 2.902 -6.860 721 HB2 LEU2103 1HB LEU2103 4.825 4.346 -4.273 722 HB3 LEU2103 2HB LEU2103 5.483 2.721 -4.532 723 HG LEU2103 HG LEU2103 6.576 3.717 -6.639 724 HD11 LEU2103 1HD1 LEU2103 5.341 5.768 -6.830 725 HD12 LEU2103 2HD1 LEU2103 5.831 6.272 -5.195 726 HD13 LEU2103 3HD1 LEU2103 7.044 6.158 -6.492 727 HD21 LEU2103 3HD2 LEU2103 8.533 4.211 -5.466 728 HD22 LEU2103 1HD2 LEU2103 7.647 4.868 -4.070 729 HD23 LEU2103 2HD2 LEU2103 7.645 3.116 -4.380 730 H TYR2104 H TYR2104 2.355 3.691 -3.958 731 HA TYR2104 HA TYR2104 1.856 1.105 -3.165 732 HB2 TYR2104 1HB TYR2104 0.261 3.725 -3.224 733 HB3 TYR2104 2HB TYR2104 -0.354 2.312 -2.362 734 HD1 TYR2104 2HD TYR2104 2.253 1.298 -1.213 735 HD2 TYR2104 1HD TYR2104 0.621 5.246 -1.463 736 HE1 TYR2104 2HE TYR2104 3.591 1.989 0.835 737 HE2 TYR2104 1HE TYR2104 1.966 5.923 0.586 738 HH TYR2104 HH TYR2104 3.074 5.082 2.367 739 H TYR2105 H TYR2105 -0.199 3.192 -5.327 740 HA TYR2105 HA TYR2105 -2.175 1.404 -5.870 741 HB2 TYR2105 1HB TYR2105 -1.544 3.891 -6.626 742 HB3 TYR2105 2HB TYR2105 -0.784 3.097 -8.010 743 HD1 TYR2105 2HD TYR2105 -3.218 0.877 -7.631 744 HD2 TYR2105 1HD TYR2105 -2.891 5.062 -8.454 745 HE1 TYR2105 2HE TYR2105 -5.467 0.826 -8.815 746 HE2 TYR2105 1HE TYR2105 -5.141 4.998 -9.636 747 HH TYR2105 HH TYR2105 -6.462 2.640 -10.865 748 H HIS2106 H HIS2106 1.149 1.511 -7.212 749 HA HIS2106 HA HIS2106 0.670 -0.296 -9.294 750 HB2 HIS2106 1HB HIS2106 2.950 1.022 -8.023 751 HB3 HIS2106 2HB HIS2106 3.340 -0.591 -8.632 752 HD1 HIS2106 1HD HIS2106 1.415 -0.445 -11.174 753 HD2 HIS2106 2HD HIS2106 4.211 2.463 -10.023 754 HE1 HIS2106 1HE HIS2106 1.989 0.871 -13.284 755 HE2 HIS2106 2HE HIS2106 3.716 2.649 -12.521 756 H VAL2107 H VAL2107 1.757 -0.694 -5.876 757 HA VAL2107 HA VAL2107 2.006 -3.532 -6.182 758 HB VAL2107 HB VAL2107 2.957 -3.483 -4.137 759 HG11 VAL2107 1HG1 VAL2107 3.106 -0.492 -4.398 760 HG12 VAL2107 2HG1 VAL2107 4.377 -1.660 -3.963 761 HG13 VAL2107 3HG1 VAL2107 3.828 -1.530 -5.650 762 HG21 VAL2107 3HG2 VAL2107 0.874 -2.966 -2.935 763 HG22 VAL2107 1HG2 VAL2107 2.260 -2.088 -2.247 764 HG23 VAL2107 2HG2 VAL2107 1.096 -1.235 -3.290 765 H PHE2108 H PHE2108 -0.418 -1.179 -4.991 766 HA PHE2108 HA PHE2108 -2.092 -3.142 -3.835 767 HB2 PHE2108 1HB PHE2108 -2.126 -0.237 -4.655 768 HB3 PHE2108 2HB PHE2108 -3.708 -0.988 -4.415 769 HD1 PHE2108 1HD PHE2108 -0.591 0.059 -2.790 770 HD2 PHE2108 2HD PHE2108 -4.444 -1.622 -2.206 771 HE1 PHE2108 1HE PHE2108 -0.385 0.447 -0.320 772 HE2 PHE2108 2HE PHE2108 -4.237 -1.235 0.266 773 HZ PHE2108 HZ PHE2108 -2.210 -0.206 1.179 774 H ARG2109 H ARG2109 -1.762 -1.682 -7.085 775 HA ARG2109 HA ARG2109 -4.228 -2.792 -7.949 776 HB2 ARG2109 1HB ARG2109 -3.677 -1.832 -10.106 777 HB3 ARG2109 2HB ARG2109 -3.180 -0.661 -8.872 778 HG2 ARG2109 1HG ARG2109 -1.178 -0.666 -9.930 779 HG3 ARG2109 2HG ARG2109 -0.907 -2.242 -9.168 780 HD2 ARG2109 1HD ARG2109 -0.895 -3.226 -11.198 781 HD3 ARG2109 2HD ARG2109 -2.529 -2.631 -11.527 782 HE ARG2109 HE ARG2109 -0.470 -0.590 -11.883 783 HH11 ARG2109 2HH2 ARG2109 -2.148 -3.277 -13.471 784 HH12 ARG2109 1HH2 ARG2109 -1.827 -2.695 -15.070 785 H ARG2110 H ARG2110 -0.813 -3.712 -7.839 786 HA ARG2110 HA ARG2110 -0.946 -5.626 -9.877 787 HB2 ARG2110 1HB ARG2110 0.955 -4.854 -7.703 788 HB3 ARG2110 2HB ARG2110 1.129 -6.507 -8.316 789 HG2 ARG2110 1HG ARG2110 0.961 -4.105 -10.167 790 HG3 ARG2110 2HG ARG2110 2.506 -4.637 -9.481 791 HD2 ARG2110 1HD ARG2110 1.358 -6.998 -10.452 792 HD3 ARG2110 2HD ARG2110 0.913 -5.798 -11.675 793 HE ARG2110 HE ARG2110 3.655 -5.409 -11.044 794 HH11 ARG2110 2HH2 ARG2110 1.618 -7.891 -12.543 795 HH12 ARG2110 1HH2 ARG2110 2.891 -8.508 -13.545 796 H ILE2111 H ILE2111 -1.072 -5.798 -6.248 797 HA ILE2111 HA ILE2111 -1.196 -8.457 -5.848 798 HB ILE2111 HB ILE2111 -2.796 -7.848 -3.945 799 HG12 ILE2111 1HG1 ILE2111 -2.231 -5.075 -5.012 800 HG13 ILE2111 2HG1 ILE2111 -3.811 -5.876 -4.968 801 HG21 ILE2111 1HG2 ILE2111 -0.301 -6.175 -3.922 802 HG22 ILE2111 2HG2 ILE2111 -1.016 -7.171 -2.632 803 HG23 ILE2111 3HG2 ILE2111 -0.200 -7.952 -4.007 804 HD11 ILE2111 3HD1 ILE2111 -3.895 -4.589 -3.018 805 HD12 ILE2111 1HD1 ILE2111 -3.252 -6.119 -2.377 806 HD13 ILE2111 2HD1 ILE2111 -2.151 -4.759 -2.708 807 H SER2112 H SER2112 -3.668 -6.372 -7.332 808 HA SER2112 HA SER2112 -5.576 -8.517 -7.277 809 HB2 SER2112 1HB SER2112 -6.953 -6.822 -8.629 810 HB3 SER2112 2HB SER2112 -6.542 -6.363 -6.966 811 HG SER2112 HG SER2112 -5.882 -5.144 -9.358 812 H LYS2113 H LYS2113 -3.849 -6.503 -9.770 813 HA LYS2113 HA LYS2113 -4.696 -7.691 -12.033 814 HB2 LYS2113 1HB LYS2113 -2.540 -6.040 -11.220 815 HB3 LYS2113 2HB LYS2113 -1.868 -7.298 -12.272 816 HG2 LYS2113 1HG LYS2113 -2.530 -5.578 -13.756 817 HG3 LYS2113 2HG LYS2113 -3.855 -6.750 -13.860 818 HD2 LYS2113 1HD LYS2113 -4.766 -5.223 -11.817 819 HD3 LYS2113 2HD LYS2113 -3.803 -4.001 -12.665 820 HE2 LYS2113 1HE LYS2113 -5.090 -5.081 -14.785 821 HE3 LYS2113 2HE LYS2113 -6.292 -5.438 -13.536 822 HZ1 LYS2113 2HZ LYS2113 -6.925 -3.310 -13.795 823 HZ3 LYS2113 1HZ LYS2113 -5.640 -2.927 -14.719 824 H GLN2114 H GLN2114 -4.730 -9.710 -12.864 825 HA GLN2114 HA GLN2114 -3.275 -11.722 -11.430 826 HB2 GLN2114 1HB GLN2114 -4.582 -13.308 -12.739 827 HB3 GLN2114 2HB GLN2114 -5.659 -12.054 -12.102 828 HG2 GLN2114 1HG GLN2114 -5.882 -11.016 -14.216 829 HG3 GLN2114 2HG GLN2114 -4.429 -11.793 -14.865 830 HE21 GLN2114 1HE2 GLN2114 -7.695 -12.396 -13.637 831 HE22 GLN2114 2HE2 GLN2114 -8.054 -13.784 -14.610 Start of MODEL 11 1 H MET2014 H MET2014 -11.200 -7.032 -15.718 2 HA MET2014 HA MET2014 -10.372 -7.153 -12.989 3 HB2 MET2014 1HB MET2014 -12.372 -5.322 -13.633 4 HB3 MET2014 2HB MET2014 -13.318 -6.752 -13.190 5 HG2 MET2014 1HG MET2014 -11.637 -6.804 -11.118 6 HG3 MET2014 2HG MET2014 -11.438 -5.093 -11.502 7 HE1 MET2014 3HE MET2014 -12.663 -3.595 -9.960 8 HE2 MET2014 1HE MET2014 -13.377 -3.370 -11.576 9 HE3 MET2014 2HE MET2014 -14.427 -3.435 -10.140 10 H GLU2015 H GLU2015 -10.296 -9.316 -12.582 11 HA GLU2015 HA GLU2015 -11.884 -11.045 -14.220 12 HB2 GLU2015 1HB GLU2015 -9.434 -11.221 -12.671 13 HB3 GLU2015 2HB GLU2015 -10.501 -12.582 -12.284 14 HG2 GLU2015 1HG GLU2015 -10.764 -12.580 -14.976 15 HG3 GLU2015 2HG GLU2015 -9.147 -11.868 -14.867 16 HE2 GLU2015 HE GLU2015 -9.550 -15.705 -14.480 17 H LEU2016 H LEU2016 -12.289 -9.368 -11.292 18 HA LEU2016 HA LEU2016 -13.856 -9.431 -9.735 19 HB2 LEU2016 1HB LEU2016 -14.999 -10.942 -11.911 20 HB3 LEU2016 2HB LEU2016 -15.584 -11.535 -10.346 21 HG LEU2016 HG LEU2016 -15.770 -8.751 -10.170 22 HD11 LEU2016 1HD1 LEU2016 -16.571 -9.696 -12.929 23 HD12 LEU2016 2HD1 LEU2016 -17.174 -8.198 -12.180 24 HD13 LEU2016 3HD1 LEU2016 -15.434 -8.396 -12.499 25 HD21 LEU2016 3HD2 LEU2016 -17.916 -10.783 -10.835 26 HD22 LEU2016 1HD2 LEU2016 -17.322 -10.369 -9.209 27 HD23 LEU2016 2HD2 LEU2016 -18.185 -9.151 -10.176 28 H ILE2017 H ILE2017 -15.070 -11.281 -8.191 29 HA ILE2017 HA ILE2017 -14.705 -12.732 -6.570 30 HB ILE2017 HB ILE2017 -13.346 -13.995 -8.892 31 HG12 ILE2017 1HG1 ILE2017 -15.790 -14.083 -8.554 32 HG13 ILE2017 2HG1 ILE2017 -15.034 -15.686 -8.581 33 HG21 ILE2017 1HG2 ILE2017 -11.751 -14.644 -7.296 34 HG22 ILE2017 2HG2 ILE2017 -12.979 -14.881 -6.030 35 HG23 ILE2017 3HG2 ILE2017 -12.883 -16.012 -7.399 36 HD11 ILE2017 3HD1 ILE2017 -16.650 -14.483 -6.520 37 HD12 ILE2017 1HD1 ILE2017 -15.940 -16.116 -6.555 38 HD13 ILE2017 2HD1 ILE2017 -15.018 -14.758 -5.865 39 H ARG2018 H ARG2018 -13.258 -13.237 -4.802 40 HA ARG2018 HA ARG2018 -10.556 -12.755 -4.909 41 HB2 ARG2018 1HB ARG2018 -11.100 -10.394 -5.246 42 HB3 ARG2018 2HB ARG2018 -12.197 -10.399 -3.853 43 HG2 ARG2018 1HG ARG2018 -10.365 -9.585 -2.761 44 HG3 ARG2018 2HG ARG2018 -9.897 -11.292 -2.670 45 HD2 ARG2018 1HD ARG2018 -9.051 -9.297 -4.816 46 HD3 ARG2018 2HD ARG2018 -8.023 -9.893 -3.504 47 HE ARG2018 HE ARG2018 -7.961 -12.055 -4.572 48 HH11 ARG2018 2HH2 ARG2018 -9.795 -9.665 -6.438 49 HH12 ARG2018 1HH2 ARG2018 -9.749 -10.590 -7.901 50 H VAL2019 H VAL2019 -9.694 -13.748 -3.080 51 HA VAL2019 HA VAL2019 -11.296 -15.081 -1.301 52 HB VAL2019 HB VAL2019 -8.438 -14.131 -1.140 53 HG11 VAL2019 1HG1 VAL2019 -9.468 -14.517 1.143 54 HG12 VAL2019 2HG1 VAL2019 -9.700 -16.216 0.664 55 HG13 VAL2019 3HG1 VAL2019 -8.058 -15.532 0.752 56 HG21 VAL2019 3HG2 VAL2019 -9.521 -16.923 -1.605 57 HG22 VAL2019 1HG2 VAL2019 -9.147 -15.785 -2.921 58 HG23 VAL2019 2HG2 VAL2019 -7.855 -16.338 -1.828 59 HA PRO2020 HA PRO2020 -12.616 -11.960 1.403 60 HB2 PRO2020 1HB PRO2020 -13.726 -13.527 3.345 61 HB3 PRO2020 2HB PRO2020 -14.567 -13.093 1.858 62 HG2 PRO2020 1HG PRO2020 -13.269 -15.627 2.631 63 HG3 PRO2020 2HG PRO2020 -14.513 -15.344 1.361 64 HD2 PRO2020 1HD PRO2020 -11.706 -15.801 1.033 65 HD3 PRO2020 2HD PRO2020 -12.860 -15.369 -0.236 66 H ILE2021 H ILE2021 -10.950 -14.692 2.882 67 HA ILE2021 HA ILE2021 -9.786 -12.763 4.756 68 HB ILE2021 HB ILE2021 -9.274 -14.699 6.145 69 HG12 ILE2021 1HG1 ILE2021 -10.860 -16.748 5.111 70 HG13 ILE2021 2HG1 ILE2021 -9.923 -16.166 3.723 71 HG21 ILE2021 1HG2 ILE2021 -12.176 -15.024 5.504 72 HG22 ILE2021 2HG2 ILE2021 -11.358 -14.845 7.076 73 HG23 ILE2021 3HG2 ILE2021 -11.585 -13.428 6.021 74 HD11 ILE2021 3HD1 ILE2021 -9.027 -17.563 6.194 75 HD12 ILE2021 1HD1 ILE2021 -8.316 -17.567 4.562 76 HD13 ILE2021 2HD1 ILE2021 -7.990 -16.215 5.673 77 H LEU2022 H LEU2022 -8.074 -11.872 3.625 78 HA LEU2022 HA LEU2022 -5.781 -13.496 3.357 79 HB2 LEU2022 1HB LEU2022 -7.444 -13.751 1.222 80 HB3 LEU2022 2HB LEU2022 -6.398 -12.421 0.694 81 HG LEU2022 HG LEU2022 -4.425 -13.884 1.175 82 HD11 LEU2022 1HD1 LEU2022 -4.583 -16.109 1.774 83 HD12 LEU2022 2HD1 LEU2022 -5.872 -15.368 2.753 84 HD13 LEU2022 3HD1 LEU2022 -6.281 -16.241 1.258 85 HD21 LEU2022 3HD2 LEU2022 -4.511 -14.202 -1.015 86 HD22 LEU2022 1HD2 LEU2022 -5.566 -15.612 -0.759 87 HD23 LEU2022 2HD2 LEU2022 -6.279 -14.001 -1.005 88 H TRP2023 H TRP2023 -4.037 -12.033 2.024 89 HA TRP2023 HA TRP2023 -3.954 -9.613 3.522 90 HB2 TRP2023 1HB TRP2023 -2.175 -11.120 1.704 91 HB3 TRP2023 2HB TRP2023 -1.907 -9.378 1.789 92 HD1 TRP2023 HD TRP2023 -3.077 -10.925 5.047 93 HE1 TRP2023 1HE TRP2023 -1.136 -11.083 6.829 94 HE3 TRP2023 3HE TRP2023 0.684 -9.767 1.826 95 HZ2 TRP2023 2HZ TRP2023 1.692 -10.714 6.694 96 HZ3 TRP2023 3HZ TRP2023 3.005 -9.688 2.733 97 HH2 TRP2023 HH TRP2023 3.537 -10.137 5.073 98 H HIS2024 H HIS2024 -4.244 -10.500 0.009 99 HA HIS2024 HA HIS2024 -4.372 -8.009 -1.054 100 HB2 HIS2024 1HB HIS2024 -6.231 -10.161 -2.015 101 HB3 HIS2024 2HB HIS2024 -5.290 -8.994 -2.952 102 HD1 HIS2024 1HD HIS2024 -5.373 -12.458 -2.340 103 HD2 HIS2024 2HD HIS2024 -2.283 -9.620 -2.331 104 HE1 HIS2024 1HE HIS2024 -3.201 -13.763 -2.647 105 HE2 HIS2024 2HE HIS2024 -1.329 -11.970 -2.633 106 H GLU2025 H GLU2025 -6.636 -9.551 1.116 107 HA GLU2025 HA GLU2025 -8.872 -8.019 0.337 108 HB2 GLU2025 1HB GLU2025 -9.061 -10.190 1.496 109 HB3 GLU2025 2HB GLU2025 -8.303 -9.502 2.941 110 HG2 GLU2025 1HG GLU2025 -10.669 -9.461 3.323 111 HG3 GLU2025 2HG GLU2025 -10.209 -7.789 2.972 112 HE2 GLU2025 HE GLU2025 -12.105 -7.643 0.117 113 H MET2026 H MET2026 -6.179 -7.643 2.655 114 HA MET2026 HA MET2026 -7.381 -5.453 3.984 115 HB2 MET2026 1HB MET2026 -5.365 -5.425 5.247 116 HB3 MET2026 2HB MET2026 -5.486 -7.125 4.759 117 HG2 MET2026 1HG MET2026 -3.293 -6.714 4.140 118 HG3 MET2026 2HG MET2026 -4.087 -6.216 2.644 119 HE1 MET2026 3HE MET2026 -1.249 -4.753 5.007 120 HE2 MET2026 1HE MET2026 -1.398 -5.675 3.492 121 HE3 MET2026 2HE MET2026 -1.030 -3.934 3.441 122 H TRP2027 H TRP2027 -5.267 -5.901 1.155 123 HA TRP2027 HA TRP2027 -4.418 -3.191 1.026 124 HB2 TRP2027 1HB TRP2027 -4.411 -5.445 -0.978 125 HB3 TRP2027 2HB TRP2027 -3.723 -3.851 -1.291 126 HD1 TRP2027 HD TRP2027 -3.168 -6.887 1.081 127 HE1 TRP2027 1HE TRP2027 -0.658 -6.993 1.890 128 HE3 TRP2027 3HE TRP2027 -1.740 -2.506 -1.068 129 HZ2 TRP2027 2HZ TRP2027 1.591 -5.271 1.548 130 HZ3 TRP2027 3HZ TRP2027 0.631 -1.790 -0.783 131 HH2 TRP2027 HH TRP2027 2.273 -3.095 0.473 132 H HIS2028 H HIS2028 -6.925 -5.218 -0.644 133 HA HIS2028 HA HIS2028 -7.909 -3.232 -2.282 134 HB2 HIS2028 1HB HIS2028 -8.646 -5.890 -1.428 135 HB3 HIS2028 2HB HIS2028 -10.084 -4.873 -1.570 136 HD1 HIS2028 1HD HIS2028 -10.275 -3.571 -4.006 137 HD2 HIS2028 2HD HIS2028 -7.756 -6.918 -3.793 138 HE1 HIS2028 1HE HIS2028 -9.893 -4.333 -6.410 139 HE2 HIS2028 2HE HIS2028 -8.338 -6.400 -6.225 140 H GLU2029 H GLU2029 -9.186 -4.324 0.947 141 HA GLU2029 HA GLU2029 -11.010 -2.204 1.067 142 HB2 GLU2029 1HB GLU2029 -11.385 -2.938 3.370 143 HB3 GLU2029 2HB GLU2029 -11.284 -4.346 2.299 144 HG2 GLU2029 1HG GLU2029 -9.805 -5.114 3.856 145 HG3 GLU2029 2HG GLU2029 -8.650 -4.055 3.035 146 HE2 GLU2029 HE GLU2029 -8.147 -2.555 6.071 147 H GLY2030 H GLY2030 -7.633 -2.668 2.134 148 HA2 GLY2030 2HA GLY2030 -7.393 -0.557 3.930 149 HA3 GLY2030 3HA GLY2030 -6.108 -1.234 2.948 150 H LEU2031 H LEU2031 -6.335 -0.572 0.446 151 HA LEU2031 HA LEU2031 -5.943 2.185 0.355 152 HB2 LEU2031 1HB LEU2031 -5.367 0.064 -1.217 153 HB3 LEU2031 2HB LEU2031 -6.665 0.821 -2.156 154 HG LEU2031 HG LEU2031 -5.429 2.827 -2.419 155 HD11 LEU2031 1HD1 LEU2031 -4.451 3.438 -0.451 156 HD12 LEU2031 2HD1 LEU2031 -3.829 1.804 -0.116 157 HD13 LEU2031 3HD1 LEU2031 -3.017 2.838 -1.317 158 HD21 LEU2031 3HD2 LEU2031 -4.422 0.330 -3.282 159 HD22 LEU2031 1HD2 LEU2031 -4.200 1.930 -4.031 160 HD23 LEU2031 2HD2 LEU2031 -3.017 1.331 -2.843 161 H GLU2032 H GLU2032 -8.829 0.148 -0.072 162 HA GLU2032 HA GLU2032 -10.419 1.884 -1.438 163 HB2 GLU2032 1HB GLU2032 -10.800 -0.395 0.407 164 HB3 GLU2032 2HB GLU2032 -12.197 0.692 0.308 165 HG2 GLU2032 1HG GLU2032 -10.772 -0.418 -2.142 166 HG3 GLU2032 2HG GLU2032 -12.137 -1.248 -1.380 167 HE2 GLU2032 HE GLU2032 -14.311 1.486 -2.216 168 H GLU2033 H GLU2033 -9.856 1.651 2.136 169 HA GLU2033 HA GLU2033 -11.592 3.820 2.656 170 HB2 GLU2033 1HB GLU2033 -10.815 1.832 4.186 171 HB3 GLU2033 2HB GLU2033 -9.449 2.890 4.578 172 HG2 GLU2033 1HG GLU2033 -10.809 4.471 5.626 173 HG3 GLU2033 2HG GLU2033 -12.249 4.013 4.702 174 HE2 GLU2033 HE GLU2033 -13.091 1.443 6.876 175 H ALA2034 H ALA2034 -7.993 3.367 2.604 176 HA ALA2034 HA ALA2034 -7.250 5.893 3.363 177 HB1 ALA2034 3HB ALA2034 -5.559 4.271 3.180 178 HB2 ALA2034 1HB ALA2034 -6.054 3.799 1.537 179 HB3 ALA2034 2HB ALA2034 -5.228 5.352 1.806 180 H SER2035 H SER2035 -8.345 4.675 0.160 181 HA SER2035 HA SER2035 -7.782 7.147 -1.102 182 HB2 SER2035 1HB SER2035 -7.714 5.380 -2.601 183 HB3 SER2035 2HB SER2035 -9.107 4.557 -1.877 184 HG SER2035 HG SER2035 -9.542 5.528 -3.993 185 H ARG2036 H ARG2036 -10.762 5.402 0.016 186 HA ARG2036 HA ARG2036 -12.624 7.139 -0.844 187 HB2 ARG2036 1HB ARG2036 -12.386 5.130 1.286 188 HB3 ARG2036 2HB ARG2036 -13.535 6.407 1.723 189 HG2 ARG2036 1HG ARG2036 -14.570 6.056 -0.603 190 HG3 ARG2036 2HG ARG2036 -13.584 4.587 -0.720 191 HD2 ARG2036 1HD ARG2036 -14.976 3.443 0.661 192 HD3 ARG2036 2HD ARG2036 -15.037 4.764 1.838 193 HE ARG2036 HE ARG2036 -16.598 5.725 -0.200 194 HH11 ARG2036 2HH2 ARG2036 -16.605 2.625 1.515 195 HH12 ARG2036 1HH2 ARG2036 -18.303 2.368 1.298 196 H LEU2037 H LEU2037 -10.677 7.287 2.208 197 HA LEU2037 HA LEU2037 -11.940 9.653 3.130 198 HB2 LEU2037 1HB LEU2037 -10.194 9.661 4.803 199 HB3 LEU2037 2HB LEU2037 -10.951 8.065 4.649 200 HG LEU2037 HG LEU2037 -8.848 7.693 3.027 201 HD11 LEU2037 1HD1 LEU2037 -7.651 9.639 3.083 202 HD12 LEU2037 2HD1 LEU2037 -8.120 10.019 4.757 203 HD13 LEU2037 3HD1 LEU2037 -6.889 8.773 4.440 204 HD21 LEU2037 3HD2 LEU2037 -9.136 6.124 4.683 205 HD22 LEU2037 1HD2 LEU2037 -7.628 6.909 5.212 206 HD23 LEU2037 2HD2 LEU2037 -9.173 7.337 5.985 207 H TYR2038 H TYR2038 -8.870 8.909 1.376 208 HA TYR2038 HA TYR2038 -7.788 11.433 1.356 209 HB2 TYR2038 1HB TYR2038 -6.606 9.482 0.499 210 HB3 TYR2038 2HB TYR2038 -7.935 9.067 -0.589 211 HD1 TYR2038 1HD TYR2038 -5.161 11.480 -0.014 212 HD2 TYR2038 2HD TYR2038 -8.003 9.921 -2.809 213 HE1 TYR2038 1HE TYR2038 -3.981 12.702 -1.905 214 HE2 TYR2038 2HE TYR2038 -6.811 11.148 -4.691 215 HH TYR2038 HH TYR2038 -4.213 11.973 -4.941 216 H PHE2039 H PHE2039 -10.183 9.973 -0.937 217 HA PHE2039 HA PHE2039 -10.301 12.365 -2.486 218 HB2 PHE2039 1HB PHE2039 -11.809 9.721 -2.234 219 HB3 PHE2039 2HB PHE2039 -12.412 10.970 -3.330 220 HD1 PHE2039 1HD PHE2039 -10.589 11.902 -5.008 221 HD2 PHE2039 2HD PHE2039 -10.371 8.135 -3.066 222 HE1 PHE2039 1HE PHE2039 -9.025 11.075 -6.788 223 HE2 PHE2039 2HE PHE2039 -8.808 7.308 -4.846 224 HZ PHE2039 HZ PHE2039 -8.155 8.787 -6.687 225 H GLY2040 H GLY2040 -12.419 10.725 -0.050 226 HA2 GLY2040 2HA GLY2040 -14.367 12.861 -0.158 227 HA3 GLY2040 3HA GLY2040 -14.390 11.436 0.860 228 H GLU2041 H GLU2041 -12.669 11.361 2.673 229 HA GLU2041 HA GLU2041 -13.042 13.426 4.361 230 HB2 GLU2041 1HB GLU2041 -12.096 11.130 4.854 231 HB3 GLU2041 2HB GLU2041 -10.520 11.716 4.301 232 HG2 GLU2041 1HG GLU2041 -10.334 12.143 6.568 233 HG3 GLU2041 2HG GLU2041 -11.035 13.682 6.046 234 HE2 GLU2041 HE GLU2041 -12.903 11.616 8.715 235 H ARG2042 H ARG2042 -10.824 13.225 1.637 236 HA ARG2042 HA ARG2042 -9.487 14.655 0.725 237 HB2 ARG2042 1HB ARG2042 -11.301 16.374 2.281 238 HB3 ARG2042 2HB ARG2042 -9.724 17.140 2.025 239 HG2 ARG2042 1HG ARG2042 -11.638 16.058 -0.079 240 HG3 ARG2042 2HG ARG2042 -11.165 17.749 0.165 241 HD2 ARG2042 1HD ARG2042 -8.715 16.716 -0.226 242 HD3 ARG2042 2HD ARG2042 -9.633 15.483 -1.102 243 HE ARG2042 HE ARG2042 -10.502 18.125 -1.867 244 HH11 ARG2042 2HH2 ARG2042 -7.825 15.851 -2.333 245 HH12 ARG2042 1HH2 ARG2042 -7.380 16.499 -3.876 246 H ASN2043 H ASN2043 -8.858 13.213 3.375 247 HA ASN2043 HA ASN2043 -6.582 14.894 4.079 248 HB2 ASN2043 1HB ASN2043 -8.652 13.690 5.756 249 HB3 ASN2043 2HB ASN2043 -7.062 13.068 6.222 250 HD21 ASN2043 1HD2 ASN2043 -8.520 14.575 7.946 251 HD22 ASN2043 2HD2 ASN2043 -7.803 16.134 8.182 252 H VAL2044 H VAL2044 -4.592 13.847 3.772 253 HA VAL2044 HA VAL2044 -4.656 11.135 2.811 254 HB VAL2044 HB VAL2044 -2.279 11.519 2.386 255 HG11 VAL2044 1HG1 VAL2044 -2.924 12.443 0.464 256 HG12 VAL2044 2HG1 VAL2044 -4.472 12.897 1.216 257 HG13 VAL2044 3HG1 VAL2044 -3.098 14.028 1.255 258 HG21 VAL2044 3HG2 VAL2044 -1.207 12.888 3.810 259 HG22 VAL2044 1HG2 VAL2044 -1.817 14.209 2.786 260 HG23 VAL2044 2HG2 VAL2044 -2.702 13.743 4.260 261 H LYS2045 H LYS2045 -4.453 12.708 5.850 262 HA LYS2045 HA LYS2045 -2.568 11.194 7.187 263 HB2 LYS2045 1HB LYS2045 -3.702 11.885 9.202 264 HB3 LYS2045 2HB LYS2045 -3.638 13.237 8.057 265 HG2 LYS2045 1HG LYS2045 -5.869 13.428 8.294 266 HG3 LYS2045 2HG LYS2045 -6.047 11.871 7.466 267 HD2 LYS2045 1HD LYS2045 -6.261 10.687 9.471 268 HD3 LYS2045 2HD LYS2045 -5.411 11.916 10.423 269 HE2 LYS2045 1HE LYS2045 -8.025 12.623 9.095 270 HE3 LYS2045 2HE LYS2045 -8.061 11.656 10.576 271 HZ1 LYS2045 2HZ LYS2045 -6.482 14.146 10.470 272 HZ3 LYS2045 1HZ LYS2045 -7.106 13.402 11.777 273 H GLY2046 H GLY2046 -5.892 10.431 6.157 274 HA2 GLY2046 2HA GLY2046 -6.196 8.109 7.768 275 HA3 GLY2046 3HA GLY2046 -7.135 8.560 6.360 276 H MET2047 H MET2047 -4.967 8.761 4.434 277 HA MET2047 HA MET2047 -4.833 6.081 3.695 278 HB2 MET2047 1HB MET2047 -4.752 7.763 1.984 279 HB3 MET2047 2HB MET2047 -3.441 8.644 2.788 280 HG2 MET2047 1HG MET2047 -2.991 5.797 1.868 281 HG3 MET2047 2HG MET2047 -2.934 7.104 0.680 282 HE1 MET2047 3HE MET2047 -0.287 9.384 1.637 283 HE2 MET2047 1HE MET2047 -2.062 9.334 1.519 284 HE3 MET2047 2HE MET2047 -1.280 9.488 3.111 285 H PHE2048 H PHE2048 -2.471 8.313 5.253 286 HA PHE2048 HA PHE2048 -0.341 6.442 5.144 287 HB2 PHE2048 1HB PHE2048 -1.030 9.003 6.674 288 HB3 PHE2048 2HB PHE2048 0.500 8.170 6.965 289 HD1 PHE2048 1HD PHE2048 1.141 7.340 4.165 290 HD2 PHE2048 2HD PHE2048 -0.338 11.007 5.707 291 HE1 PHE2048 1HE PHE2048 2.161 8.567 2.227 292 HE2 PHE2048 2HE PHE2048 0.682 12.234 3.768 293 HZ PHE2048 HZ PHE2048 1.919 10.999 2.053 294 H GLU2049 H GLU2049 -2.865 7.330 7.545 295 HA GLU2049 HA GLU2049 -1.676 5.744 9.569 296 HB2 GLU2049 1HB GLU2049 -3.524 6.387 10.917 297 HB3 GLU2049 2HB GLU2049 -3.187 7.793 9.895 298 HG2 GLU2049 1HG GLU2049 -5.473 7.655 9.605 299 HG3 GLU2049 2HG GLU2049 -4.972 6.577 8.292 300 HE2 GLU2049 HE GLU2049 -6.245 3.764 9.819 301 H VAL2050 H VAL2050 -3.534 5.088 6.755 302 HA VAL2050 HA VAL2050 -4.857 2.769 7.856 303 HB VAL2050 HB VAL2050 -4.769 4.188 5.219 304 HG11 VAL2050 1HG1 VAL2050 -6.068 2.446 4.151 305 HG12 VAL2050 2HG1 VAL2050 -4.534 1.755 4.732 306 HG13 VAL2050 3HG1 VAL2050 -6.042 1.462 5.634 307 HG21 VAL2050 3HG2 VAL2050 -6.978 4.691 5.624 308 HG22 VAL2050 1HG2 VAL2050 -7.250 3.227 6.601 309 HG23 VAL2050 2HG2 VAL2050 -6.361 4.607 7.292 310 H LEU2051 H LEU2051 -2.096 3.586 5.686 311 HA LEU2051 HA LEU2051 -1.499 0.827 5.226 312 HB2 LEU2051 1HB LEU2051 -0.022 3.383 4.628 313 HB3 LEU2051 2HB LEU2051 0.526 1.772 4.128 314 HG LEU2051 HG LEU2051 -0.884 1.713 2.387 315 HD11 LEU2051 1HD1 LEU2051 -2.826 1.414 3.904 316 HD12 LEU2051 2HD1 LEU2051 -3.023 3.183 3.951 317 HD13 LEU2051 3HD1 LEU2051 -3.219 2.307 2.413 318 HD21 LEU2051 3HD2 LEU2051 -1.686 4.543 2.550 319 HD22 LEU2051 1HD2 LEU2051 0.060 4.248 2.729 320 HD23 LEU2051 2HD2 LEU2051 -0.799 3.665 1.282 321 H GLU2052 H GLU2052 -0.181 3.507 7.259 322 HA GLU2052 HA GLU2052 2.026 2.506 8.243 323 HB2 GLU2052 1HB GLU2052 -0.065 4.244 9.230 324 HB3 GLU2052 2HB GLU2052 0.615 3.320 10.580 325 HG2 GLU2052 1HG GLU2052 2.030 5.184 10.481 326 HG3 GLU2052 2HG GLU2052 2.934 3.996 9.531 327 HE2 GLU2052 HE GLU2052 1.655 7.327 7.867 328 HA PRO2053 HA PRO2053 -0.248 -0.498 11.121 329 HB2 PRO2053 1HB PRO2053 -2.950 -0.838 10.885 330 HB3 PRO2053 2HB PRO2053 -2.213 0.246 12.064 331 HG2 PRO2053 1HG PRO2053 -3.560 0.852 9.511 332 HG3 PRO2053 2HG PRO2053 -3.253 1.948 10.907 333 HD2 PRO2053 1HD PRO2053 -1.896 1.853 8.386 334 HD3 PRO2053 2HD PRO2053 -1.454 2.839 9.786 335 H LEU2054 H LEU2054 -2.125 -0.471 8.126 336 HA LEU2054 HA LEU2054 -2.311 -3.173 7.795 337 HB2 LEU2054 1HB LEU2054 -2.225 -0.826 5.975 338 HB3 LEU2054 2HB LEU2054 -2.141 -2.445 5.260 339 HG LEU2054 HG LEU2054 -4.325 -2.826 5.595 340 HD11 LEU2054 1HD1 LEU2054 -4.297 -3.259 7.891 341 HD12 LEU2054 2HD1 LEU2054 -3.929 -1.568 8.306 342 HD13 LEU2054 3HD1 LEU2054 -5.546 -2.005 7.700 343 HD21 LEU2054 3HD2 LEU2054 -3.896 -0.089 5.145 344 HD22 LEU2054 1HD2 LEU2054 -5.366 -1.032 4.804 345 HD23 LEU2054 2HD2 LEU2054 -5.197 -0.180 6.357 346 H HIS2055 H HIS2055 0.332 -1.010 6.556 347 HA HIS2055 HA HIS2055 1.860 -3.088 5.531 348 HB2 HIS2055 1HB HIS2055 2.528 -0.298 6.454 349 HB3 HIS2055 2HB HIS2055 3.743 -1.371 5.750 350 HD1 HIS2055 1HD HIS2055 3.330 1.110 4.189 351 HD2 HIS2055 2HD HIS2055 0.859 -2.236 3.660 352 HE1 HIS2055 1HE HIS2055 2.286 1.353 1.874 353 HE2 HIS2055 2HE HIS2055 0.770 -0.735 1.598 354 H ALA2056 H ALA2056 2.032 -1.368 8.721 355 HA ALA2056 HA ALA2056 4.179 -2.715 9.770 356 HB1 ALA2056 3HB ALA2056 2.993 -2.210 11.991 357 HB2 ALA2056 1HB ALA2056 3.288 -0.825 10.912 358 HB3 ALA2056 2HB ALA2056 1.664 -1.549 11.007 359 H MET2057 H MET2057 0.659 -3.598 9.944 360 HA MET2057 HA MET2057 0.919 -5.848 11.432 361 HB2 MET2057 1HB MET2057 -1.317 -5.780 11.002 362 HB3 MET2057 2HB MET2057 -1.038 -4.595 9.714 363 HG2 MET2057 1HG MET2057 -0.704 -6.391 8.084 364 HG3 MET2057 2HG MET2057 -0.778 -7.620 9.350 365 HE1 MET2057 3HE MET2057 -2.306 -7.757 6.821 366 HE2 MET2057 1HE MET2057 -4.047 -7.393 6.878 367 HE3 MET2057 2HE MET2057 -2.875 -6.089 6.561 368 H MET2058 H MET2058 1.544 -5.384 7.932 369 HA MET2058 HA MET2058 1.745 -8.123 7.363 370 HB2 MET2058 1HB MET2058 2.943 -5.664 5.985 371 HB3 MET2058 2HB MET2058 2.824 -7.267 5.241 372 HG2 MET2058 1HG MET2058 0.247 -6.364 6.323 373 HG3 MET2058 2HG MET2058 0.892 -5.214 5.150 374 HE1 MET2058 3HE MET2058 -1.179 -8.580 5.381 375 HE2 MET2058 1HE MET2058 -1.651 -6.877 5.179 376 HE3 MET2058 2HE MET2058 -1.806 -8.011 3.817 377 H GLU2059 H GLU2059 3.988 -5.669 8.623 378 HA GLU2059 HA GLU2059 6.291 -7.234 8.078 379 HB2 GLU2059 1HB GLU2059 6.132 -4.991 10.104 380 HB3 GLU2059 2HB GLU2059 7.516 -5.473 9.105 381 HG2 GLU2059 1HG GLU2059 5.770 -4.878 7.139 382 HG3 GLU2059 2HG GLU2059 5.104 -3.825 8.398 383 HE2 GLU2059 HE GLU2059 7.534 -1.501 7.868 384 H ARG2060 H ARG2060 4.709 -6.164 11.185 385 HA ARG2060 HA ARG2060 6.147 -8.074 12.651 386 HB2 ARG2060 1HB ARG2060 4.682 -7.369 14.534 387 HB3 ARG2060 2HB ARG2060 5.312 -5.963 13.660 388 HG2 ARG2060 1HG ARG2060 3.165 -5.876 12.364 389 HG3 ARG2060 2HG ARG2060 2.540 -7.208 13.351 390 HD2 ARG2060 1HD ARG2060 1.689 -5.313 14.447 391 HD3 ARG2060 2HD ARG2060 3.155 -5.645 15.383 392 HE ARG2060 HE ARG2060 3.768 -3.883 13.192 393 HH11 ARG2060 2HH2 ARG2060 2.134 -3.881 16.337 394 HH12 ARG2060 1HH2 ARG2060 2.405 -2.193 16.616 395 H GLY2061 H GLY2061 3.296 -8.183 10.679 396 HA2 GLY2061 2HA GLY2061 2.483 -10.741 11.924 397 HA3 GLY2061 3HA GLY2061 1.364 -9.601 11.206 398 HA PRO2062 HA PRO2062 3.868 -11.560 7.675 399 HB2 PRO2062 1HB PRO2062 5.552 -13.637 8.234 400 HB3 PRO2062 2HB PRO2062 6.098 -11.970 8.069 401 HG2 PRO2062 1HG PRO2062 5.679 -13.598 10.494 402 HG3 PRO2062 2HG PRO2062 6.672 -12.110 10.299 403 HD2 PRO2062 1HD PRO2062 4.110 -12.389 11.545 404 HD3 PRO2062 2HD PRO2062 4.972 -10.876 11.236 405 H GLN2063 H GLN2063 4.313 -14.192 6.864 406 HA GLN2063 HA GLN2063 2.013 -15.586 7.895 407 HB2 GLN2063 1HB GLN2063 1.197 -14.156 5.996 408 HB3 GLN2063 2HB GLN2063 2.297 -15.026 4.912 409 HG2 GLN2063 1HG GLN2063 0.860 -16.758 4.742 410 HG3 GLN2063 2HG GLN2063 0.705 -16.893 6.501 411 HE21 GLN2063 1HE2 GLN2063 -0.285 -14.895 3.732 412 HE22 GLN2063 2HE2 GLN2063 -1.886 -14.532 4.280 413 H THR2064 H THR2064 4.162 -15.779 4.962 414 HA THR2064 HA THR2064 5.675 -17.930 6.072 415 HB THR2064 HB THR2064 3.543 -19.119 5.524 416 HG1 THR2064 1HG THR2064 4.700 -20.652 4.141 417 HG21 THR2064 3HG2 THR2064 3.700 -17.480 3.120 418 HG22 THR2064 1HG2 THR2064 3.774 -19.200 2.668 419 HG23 THR2064 2HG2 THR2064 2.399 -18.588 3.619 420 H LEU2065 H LEU2065 6.759 -19.062 3.835 421 HA LEU2065 HA LEU2065 8.435 -16.978 2.959 422 HB2 LEU2065 1HB LEU2065 8.287 -19.835 2.839 423 HB3 LEU2065 2HB LEU2065 8.701 -19.194 1.239 424 HG LEU2065 HG LEU2065 10.252 -17.927 3.352 425 HD11 LEU2065 1HD1 LEU2065 10.034 -19.952 4.597 426 HD12 LEU2065 2HD1 LEU2065 10.358 -20.945 3.156 427 HD13 LEU2065 3HD1 LEU2065 11.652 -19.944 3.856 428 HD21 LEU2065 3HD2 LEU2065 10.890 -17.734 1.055 429 HD22 LEU2065 1HD2 LEU2065 12.135 -18.689 1.894 430 HD23 LEU2065 2HD2 LEU2065 10.936 -19.503 0.860 431 H LYS2066 H LYS2066 5.504 -18.536 1.651 432 HA LYS2066 HA LYS2066 5.748 -17.559 -0.959 433 HB2 LYS2066 1HB LYS2066 3.633 -18.754 0.737 434 HB3 LYS2066 2HB LYS2066 3.083 -17.825 -0.668 435 HG2 LYS2066 1HG LYS2066 3.962 -19.330 -2.165 436 HG3 LYS2066 2HG LYS2066 5.351 -19.722 -1.136 437 HD2 LYS2066 1HD LYS2066 3.647 -20.912 0.398 438 HD3 LYS2066 2HD LYS2066 2.500 -20.772 -0.946 439 HE2 LYS2066 1HE LYS2066 3.380 -22.742 -1.653 440 HE3 LYS2066 2HE LYS2066 4.765 -21.784 -2.199 441 HZ1 LYS2066 2HZ LYS2066 5.960 -22.974 -0.733 442 HZ3 LYS2066 1HZ LYS2066 4.643 -23.677 -0.081 443 H GLU2067 H GLU2067 4.648 -16.114 2.100 444 HA GLU2067 HA GLU2067 3.588 -13.843 0.702 445 HB2 GLU2067 1HB GLU2067 2.847 -15.016 3.004 446 HB3 GLU2067 2HB GLU2067 3.962 -13.818 3.679 447 HG2 GLU2067 1HG GLU2067 1.900 -12.688 3.663 448 HG3 GLU2067 2HG GLU2067 2.664 -12.109 2.176 449 HE2 GLU2067 HE GLU2067 -0.441 -12.980 0.867 450 H THR2068 H THR2068 6.610 -14.937 2.025 451 HA THR2068 HA THR2068 7.702 -12.453 2.787 452 HB THR2068 HB THR2068 8.824 -15.171 1.962 453 HG1 THR2068 1HG THR2068 8.264 -15.352 4.095 454 HG21 THR2068 3HG2 THR2068 10.518 -13.287 1.538 455 HG22 THR2068 1HG2 THR2068 10.346 -12.855 3.256 456 HG23 THR2068 2HG2 THR2068 10.997 -14.447 2.802 457 H SER2069 H SER2069 7.359 -14.112 -0.349 458 HA SER2069 HA SER2069 9.183 -12.423 -1.656 459 HB2 SER2069 1HB SER2069 8.409 -14.708 -2.420 460 HB3 SER2069 2HB SER2069 6.867 -13.972 -2.893 461 HG SER2069 HG SER2069 8.960 -12.524 -3.919 462 H PHE2070 H PHE2070 5.701 -12.311 -0.887 463 HA PHE2070 HA PHE2070 4.971 -10.329 -2.715 464 HB2 PHE2070 1HB PHE2070 3.407 -11.774 -1.429 465 HB3 PHE2070 2HB PHE2070 4.009 -11.122 0.098 466 HD1 PHE2070 1HD PHE2070 3.727 -8.517 0.361 467 HD2 PHE2070 2HD PHE2070 1.473 -10.908 -2.324 468 HE1 PHE2070 1HE PHE2070 1.936 -6.759 0.300 469 HE2 PHE2070 2HE PHE2070 -0.317 -9.151 -2.386 470 HZ PHE2070 HZ PHE2070 -0.065 -7.099 -1.072 471 H ASN2071 H ASN2071 5.866 -10.098 0.806 472 HA ASN2071 HA ASN2071 5.651 -7.353 0.916 473 HB2 ASN2071 1HB ASN2071 6.293 -9.432 2.672 474 HB3 ASN2071 2HB ASN2071 7.793 -8.492 2.624 475 HD21 ASN2071 1HD2 ASN2071 7.420 -7.966 4.814 476 HD22 ASN2071 2HD2 ASN2071 6.311 -6.719 5.279 477 H GLN2072 H GLN2072 8.175 -9.557 -0.268 478 HA GLN2072 HA GLN2072 10.223 -7.587 -0.221 479 HB2 GLN2072 1HB GLN2072 9.936 -10.436 -0.988 480 HB3 GLN2072 2HB GLN2072 11.151 -9.540 -1.917 481 HG2 GLN2072 1HG GLN2072 12.202 -8.795 0.206 482 HG3 GLN2072 2HG GLN2072 10.993 -9.699 1.130 483 HE21 GLN2072 1HE2 GLN2072 13.631 -10.167 1.518 484 HE22 GLN2072 2HE2 GLN2072 14.096 -11.716 0.900 485 H ALA2073 H ALA2073 8.012 -9.047 -2.670 486 HA ALA2073 HA ALA2073 9.092 -7.903 -4.934 487 HB1 ALA2073 3HB ALA2073 7.075 -8.524 -5.965 488 HB2 ALA2073 1HB ALA2073 7.174 -9.632 -4.577 489 HB3 ALA2073 2HB ALA2073 6.114 -8.203 -4.500 490 H TYR2074 H TYR2074 6.720 -6.576 -2.551 491 HA TYR2074 HA TYR2074 6.827 -4.020 -3.965 492 HB2 TYR2074 1HB TYR2074 5.219 -5.041 -1.548 493 HB3 TYR2074 2HB TYR2074 4.863 -3.572 -2.461 494 HD1 TYR2074 2HD TYR2074 4.998 -4.441 -5.243 495 HD2 TYR2074 1HD TYR2074 3.440 -6.499 -1.830 496 HE1 TYR2074 2HE TYR2074 3.446 -5.780 -6.749 497 HE2 TYR2074 1HE TYR2074 1.895 -7.830 -3.348 498 HH TYR2074 HH TYR2074 0.869 -7.168 -5.899 499 H GLY2075 H GLY2075 8.396 -5.684 -1.434 500 HA2 GLY2075 2HA GLY2075 8.634 -4.013 0.680 501 HA3 GLY2075 3HA GLY2075 9.957 -4.960 0.031 502 H ARG2076 H ARG2076 10.445 -3.764 -2.461 503 HA ARG2076 HA ARG2076 11.900 -1.541 -1.638 504 HB2 ARG2076 1HB ARG2076 12.023 -3.262 -3.752 505 HB3 ARG2076 2HB ARG2076 11.309 -1.857 -4.560 506 HG2 ARG2076 1HG ARG2076 13.375 -0.817 -2.942 507 HG3 ARG2076 2HG ARG2076 14.057 -2.291 -3.654 508 HD2 ARG2076 1HD ARG2076 12.552 -0.791 -5.646 509 HD3 ARG2076 2HD ARG2076 13.764 0.254 -4.889 510 HE ARG2076 HE ARG2076 15.470 -1.080 -5.831 511 HH11 ARG2076 2HH2 ARG2076 12.325 -2.649 -6.289 512 HH12 ARG2076 1HH2 ARG2076 12.937 -3.832 -7.395 513 H ASP2077 H ASP2077 8.654 -2.001 -2.957 514 HA ASP2077 HA ASP2077 8.399 0.682 -3.843 515 HB2 ASP2077 1HB ASP2077 6.376 -1.537 -3.331 516 HB3 ASP2077 2HB ASP2077 5.941 0.030 -4.030 517 HD2 ASP2077 HD ASP2077 6.978 -0.834 -7.169 518 H LEU2078 H LEU2078 7.133 -1.376 -1.120 519 HA LEU2078 HA LEU2078 5.680 0.633 0.149 520 HB2 LEU2078 1HB LEU2078 6.952 -1.902 1.149 521 HB3 LEU2078 2HB LEU2078 5.902 -0.879 2.145 522 HG LEU2078 HG LEU2078 5.236 -2.649 -0.177 523 HD11 LEU2078 1HD1 LEU2078 3.983 -3.765 1.303 524 HD12 LEU2078 2HD1 LEU2078 4.921 -2.882 2.532 525 HD13 LEU2078 3HD1 LEU2078 3.325 -2.277 2.025 526 HD21 LEU2078 3HD2 LEU2078 3.563 -0.262 0.654 527 HD22 LEU2078 1HD2 LEU2078 4.410 -0.470 -0.898 528 HD23 LEU2078 2HD2 LEU2078 3.063 -1.550 -0.467 529 H MET2079 H MET2079 9.123 -0.384 0.395 530 HA MET2079 HA MET2079 9.672 1.308 2.559 531 HB2 MET2079 1HB MET2079 11.929 0.614 2.215 532 HB3 MET2079 2HB MET2079 10.989 -0.751 1.590 533 HG2 MET2079 1HG MET2079 11.268 0.087 -0.710 534 HG3 MET2079 2HG MET2079 12.102 1.526 -0.119 535 HE1 MET2079 3HE MET2079 13.771 1.159 1.794 536 HE2 MET2079 1HE MET2079 14.039 -0.507 2.356 537 HE3 MET2079 2HE MET2079 15.284 0.316 1.387 538 H GLU2080 H GLU2080 9.960 1.644 -1.020 539 HA GLU2080 HA GLU2080 11.292 4.096 -0.910 540 HB2 GLU2080 1HB GLU2080 11.266 2.590 -2.881 541 HB3 GLU2080 2HB GLU2080 9.549 2.944 -3.132 542 HG2 GLU2080 1HG GLU2080 10.037 4.877 -4.192 543 HG3 GLU2080 2HG GLU2080 11.099 5.412 -2.881 544 HE2 GLU2080 HE GLU2080 13.909 3.826 -4.404 545 H ALA2081 H ALA2081 7.816 3.267 -1.607 546 HA ALA2081 HA ALA2081 6.895 5.864 -1.792 547 HB1 ALA2081 3HB ALA2081 5.249 3.659 -0.553 548 HB2 ALA2081 1HB ALA2081 4.771 4.891 -1.745 549 HB3 ALA2081 2HB ALA2081 5.792 3.520 -2.244 550 H GLN2082 H GLN2082 7.401 3.742 1.076 551 HA GLN2082 HA GLN2082 6.143 5.339 2.914 552 HB2 GLN2082 1HB GLN2082 6.819 3.112 3.496 553 HB3 GLN2082 2HB GLN2082 8.526 3.461 3.171 554 HG2 GLN2082 1HG GLN2082 8.760 4.017 5.342 555 HG3 GLN2082 2HG GLN2082 7.678 5.394 5.078 556 HE21 GLN2082 1HE2 GLN2082 5.868 5.462 6.172 557 HE22 GLN2082 2HE2 GLN2082 5.094 4.151 6.996 558 H GLU2083 H GLU2083 9.506 5.454 1.621 559 HA GLU2083 HA GLU2083 10.396 7.401 3.398 560 HB2 GLU2083 1HB GLU2083 12.318 6.844 2.395 561 HB3 GLU2083 2HB GLU2083 11.429 5.914 1.178 562 HG2 GLU2083 1HG GLU2083 11.192 7.897 -0.224 563 HG3 GLU2083 2HG GLU2083 11.906 8.926 1.027 564 HE2 GLU2083 HE GLU2083 14.231 6.558 -1.219 565 H TRP2084 H TRP2084 8.730 7.540 0.225 566 HA TRP2084 HA TRP2084 9.105 10.297 -0.193 567 HB2 TRP2084 1HB TRP2084 7.093 8.312 -1.235 568 HB3 TRP2084 2HB TRP2084 7.143 9.998 -1.753 569 HD1 TRP2084 HD TRP2084 8.736 6.667 -2.470 570 HE1 TRP2084 1HE TRP2084 10.642 6.823 -4.289 571 HE3 TRP2084 3HE TRP2084 9.044 11.742 -2.466 572 HZ2 TRP2084 2HZ TRP2084 12.035 9.005 -5.493 573 HZ3 TRP2084 3HZ TRP2084 10.704 12.805 -3.993 574 HH2 TRP2084 HH TRP2084 12.166 11.522 -5.472 575 H CYS2085 H CYS2085 6.776 8.290 1.637 576 HA CYS2085 HA CYS2085 4.830 10.225 2.029 577 HB2 CYS2085 1HB CYS2085 4.208 8.050 2.556 578 HB3 CYS2085 2HB CYS2085 5.642 7.755 3.554 579 HG CYS2085 HG CYS2085 3.593 7.833 5.135 580 H ARG2086 H ARG2086 7.625 9.192 4.127 581 HA ARG2086 HA ARG2086 7.240 11.065 6.074 582 HB2 ARG2086 1HB ARG2086 9.511 9.393 5.097 583 HB3 ARG2086 2HB ARG2086 9.975 10.779 6.100 584 HG2 ARG2086 1HG ARG2086 9.646 9.105 7.699 585 HG3 ARG2086 2HG ARG2086 8.066 9.908 7.705 586 HD2 ARG2086 1HD ARG2086 7.716 8.049 5.709 587 HD3 ARG2086 2HD ARG2086 8.826 7.178 6.780 588 HE ARG2086 HE ARG2086 6.045 7.674 7.263 589 HH11 ARG2086 2HH2 ARG2086 9.139 7.690 8.987 590 HH12 ARG2086 1HH2 ARG2086 8.424 7.341 10.527 591 H LYS2087 H LYS2087 8.740 11.315 2.854 592 HA LYS2087 HA LYS2087 10.181 13.675 3.263 593 HB2 LYS2087 1HB LYS2087 9.184 12.103 0.948 594 HB3 LYS2087 2HB LYS2087 9.636 13.789 0.637 595 HG2 LYS2087 1HG LYS2087 11.848 13.365 1.693 596 HG3 LYS2087 2HG LYS2087 11.395 11.675 1.971 597 HD2 LYS2087 1HD LYS2087 10.865 11.974 -0.720 598 HD3 LYS2087 2HD LYS2087 12.270 13.035 -0.520 599 HE2 LYS2087 1HE LYS2087 12.865 10.691 0.954 600 HE3 LYS2087 2HE LYS2087 12.136 10.117 -0.554 601 HZ1 LYS2087 2HZ LYS2087 13.783 11.902 -1.546 602 HZ3 LYS2087 1HZ LYS2087 14.314 10.403 -1.194 603 H TYR2088 H TYR2088 6.810 13.084 2.066 604 HA TYR2088 HA TYR2088 6.253 15.858 1.828 605 HB2 TYR2088 1HB TYR2088 4.940 14.348 0.516 606 HB3 TYR2088 2HB TYR2088 4.833 13.164 1.823 607 HD1 TYR2088 1HD TYR2088 3.432 16.280 0.432 608 HD2 TYR2088 2HD TYR2088 3.079 13.317 3.497 609 HE1 TYR2088 1HE TYR2088 1.111 17.143 1.010 610 HE2 TYR2088 2HE TYR2088 0.760 14.189 4.065 611 HH TYR2088 HH TYR2088 -0.672 16.848 2.194 612 H MET2089 H MET2089 5.969 13.417 4.414 613 HA MET2089 HA MET2089 4.166 14.875 5.972 614 HB2 MET2089 1HB MET2089 6.238 12.708 6.538 615 HB3 MET2089 2HB MET2089 5.193 13.336 7.825 616 HG2 MET2089 1HG MET2089 3.402 12.784 5.754 617 HG3 MET2089 2HG MET2089 4.570 11.465 5.621 618 HE1 MET2089 3HE MET2089 1.590 12.245 6.409 619 HE2 MET2089 1HE MET2089 1.276 10.613 7.045 620 HE3 MET2089 2HE MET2089 1.144 12.028 8.117 621 H LYS2090 H LYS2090 7.736 14.856 5.676 622 HA LYS2090 HA LYS2090 7.918 16.763 7.875 623 HB2 LYS2090 1HB LYS2090 9.550 14.647 6.913 624 HB3 LYS2090 2HB LYS2090 10.460 16.154 6.716 625 HG2 LYS2090 1HG LYS2090 9.050 15.285 9.273 626 HG3 LYS2090 2HG LYS2090 10.781 15.062 8.967 627 HD2 LYS2090 1HD LYS2090 11.205 17.180 9.600 628 HD3 LYS2090 2HD LYS2090 10.035 17.821 8.434 629 HE2 LYS2090 1HE LYS2090 8.217 17.521 10.036 630 HE3 LYS2090 2HE LYS2090 9.289 16.692 11.174 631 HZ1 LYS2090 2HZ LYS2090 10.294 18.677 11.736 632 HZ3 LYS2090 1HZ LYS2090 8.809 19.251 11.393 633 H SER2091 H SER2091 9.046 16.385 4.439 634 HA SER2091 HA SER2091 9.822 19.035 4.217 635 HB2 SER2091 1HB SER2091 10.322 16.954 2.723 636 HB3 SER2091 2HB SER2091 8.835 17.399 1.864 637 HG SER2091 HG SER2091 10.944 19.304 2.353 638 H GLY2092 H GLY2092 6.924 17.378 2.745 639 HA2 GLY2092 2HA GLY2092 4.737 18.208 2.935 640 HA3 GLY2092 3HA GLY2092 5.360 19.815 3.244 641 H ASN2093 H ASN2093 5.097 17.261 0.703 642 HA ASN2093 HA ASN2093 4.668 19.373 -1.201 643 HB2 ASN2093 1HB ASN2093 7.173 18.004 -1.007 644 HB3 ASN2093 2HB ASN2093 6.373 17.365 -2.449 645 HD21 ASN2093 1HD2 ASN2093 8.648 19.343 -1.731 646 HD22 ASN2093 2HD2 ASN2093 8.387 20.694 -2.783 647 H VAL2094 H VAL2094 2.773 18.722 -2.230 648 HA VAL2094 HA VAL2094 1.638 16.227 -1.915 649 HB VAL2094 HB VAL2094 1.246 18.546 -3.760 650 HG11 VAL2094 1HG1 VAL2094 -0.777 17.376 -4.696 651 HG12 VAL2094 2HG1 VAL2094 0.784 16.728 -5.255 652 HG13 VAL2094 3HG1 VAL2094 -0.146 15.861 -4.007 653 HG21 VAL2094 3HG2 VAL2094 0.347 18.810 -1.564 654 HG22 VAL2094 1HG2 VAL2094 -1.026 18.485 -2.650 655 HG23 VAL2094 2HG2 VAL2094 -0.395 17.193 -1.600 656 H LYS2095 H LYS2095 3.922 17.477 -4.366 657 HA LYS2095 HA LYS2095 3.673 15.560 -6.296 658 HB2 LYS2095 1HB LYS2095 5.149 17.687 -6.110 659 HB3 LYS2095 2HB LYS2095 6.379 16.580 -5.471 660 HG2 LYS2095 1HG LYS2095 6.058 15.149 -7.515 661 HG3 LYS2095 2HG LYS2095 4.944 16.367 -8.159 662 HD2 LYS2095 1HD LYS2095 6.831 17.203 -9.126 663 HD3 LYS2095 2HD LYS2095 7.107 17.937 -7.538 664 HE2 LYS2095 1HE LYS2095 9.148 16.836 -8.138 665 HE3 LYS2095 2HE LYS2095 8.388 15.796 -6.923 666 HZ1 LYS2095 2HZ LYS2095 8.607 14.194 -8.475 667 HZ3 LYS2095 1HZ LYS2095 8.943 15.237 -9.679 668 H ASP2096 H ASP2096 5.725 15.449 -3.309 669 HA ASP2096 HA ASP2096 6.718 12.921 -3.825 670 HB2 ASP2096 1HB ASP2096 6.172 14.066 -1.063 671 HB3 ASP2096 2HB ASP2096 7.463 12.943 -1.524 672 HD2 ASP2096 HD ASP2096 8.830 16.282 -1.111 673 H LEU2097 H LEU2097 3.772 14.157 -2.177 674 HA LEU2097 HA LEU2097 2.997 11.742 -0.982 675 HB2 LEU2097 1HB LEU2097 2.089 13.700 -0.137 676 HB3 LEU2097 2HB LEU2097 1.583 14.283 -1.734 677 HG LEU2097 HG LEU2097 -0.272 12.843 -1.792 678 HD11 LEU2097 1HD1 LEU2097 1.328 11.190 0.045 679 HD12 LEU2097 2HD1 LEU2097 -0.415 11.229 0.404 680 HD13 LEU2097 3HD1 LEU2097 0.152 10.722 -1.205 681 HD21 LEU2097 3HD2 LEU2097 -1.361 14.170 -0.390 682 HD22 LEU2097 1HD2 LEU2097 -0.853 13.135 0.967 683 HD23 LEU2097 2HD2 LEU2097 0.145 14.528 0.488 684 H THR2098 H THR2098 2.222 13.267 -4.167 685 HA THR2098 HA THR2098 0.415 11.306 -5.005 686 HB THR2098 HB THR2098 2.279 13.247 -6.463 687 HG1 THR2098 1HG THR2098 0.459 14.525 -6.168 688 HG21 THR2098 3HG2 THR2098 1.475 12.524 -8.482 689 HG22 THR2098 1HG2 THR2098 0.911 11.060 -7.639 690 HG23 THR2098 2HG2 THR2098 -0.188 12.445 -7.849 691 H GLN2099 H GLN2099 3.999 11.495 -5.266 692 HA GLN2099 HA GLN2099 4.266 9.308 -6.926 693 HB2 GLN2099 1HB GLN2099 5.951 11.080 -5.448 694 HB3 GLN2099 2HB GLN2099 6.492 9.430 -5.095 695 HG2 GLN2099 1HG GLN2099 5.890 9.696 -7.921 696 HG3 GLN2099 2HG GLN2099 6.999 10.985 -7.433 697 HE21 GLN2099 1HE2 GLN2099 6.761 7.905 -8.553 698 HE22 GLN2099 2HE2 GLN2099 8.292 7.250 -8.073 699 H ALA2100 H ALA2100 4.119 9.569 -3.328 700 HA ALA2100 HA ALA2100 4.695 6.887 -2.796 701 HB1 ALA2100 3HB ALA2100 3.483 7.450 -0.612 702 HB2 ALA2100 1HB ALA2100 4.853 8.501 -1.043 703 HB3 ALA2100 2HB ALA2100 3.184 9.060 -1.308 704 H TRP2101 H TRP2101 1.648 8.634 -3.571 705 HA TRP2101 HA TRP2101 -0.039 6.438 -3.022 706 HB2 TRP2101 1HB TRP2101 -0.271 9.153 -3.888 707 HB3 TRP2101 2HB TRP2101 -1.217 8.126 -4.967 708 HD1 TRP2101 HD TRP2101 -1.654 9.972 -1.852 709 HE1 TRP2101 1HE TRP2101 -3.701 9.173 -0.390 710 HE3 TRP2101 3HE TRP2101 -2.335 5.553 -4.275 711 HZ2 TRP2101 2HZ TRP2101 -5.339 6.836 -0.411 712 HZ3 TRP2101 3HZ TRP2101 -4.181 4.072 -3.492 713 HH2 TRP2101 HH TRP2101 -5.655 4.651 -1.632 714 H ASP2102 H ASP2102 1.986 7.492 -5.749 715 HA ASP2102 HA ASP2102 0.724 5.912 -7.678 716 HB2 ASP2102 1HB ASP2102 2.693 7.836 -7.652 717 HB3 ASP2102 2HB ASP2102 3.652 6.381 -7.963 718 HD2 ASP2102 HD ASP2102 2.222 8.079 -11.002 719 H LEU2103 H LEU2103 3.718 5.540 -5.641 720 HA LEU2103 HA LEU2103 4.521 3.078 -6.595 721 HB2 LEU2103 1HB LEU2103 4.804 4.260 -3.836 722 HB3 LEU2103 2HB LEU2103 5.731 2.885 -4.463 723 HG LEU2103 HG LEU2103 5.784 5.558 -5.850 724 HD11 LEU2103 1HD1 LEU2103 7.343 4.751 -3.389 725 HD12 LEU2103 2HD1 LEU2103 7.888 6.019 -4.513 726 HD13 LEU2103 3HD1 LEU2103 6.344 6.201 -3.645 727 HD21 LEU2103 3HD2 LEU2103 8.274 4.442 -6.038 728 HD22 LEU2103 1HD2 LEU2103 7.228 3.001 -6.027 729 HD23 LEU2103 2HD2 LEU2103 6.975 4.274 -7.246 730 H TYR2104 H TYR2104 2.344 3.862 -3.802 731 HA TYR2104 HA TYR2104 1.846 1.281 -2.990 732 HB2 TYR2104 1HB TYR2104 0.123 3.818 -3.221 733 HB3 TYR2104 2HB TYR2104 -0.381 2.423 -2.262 734 HD1 TYR2104 2HD TYR2104 2.521 1.819 -1.253 735 HD2 TYR2104 1HD TYR2104 0.125 5.362 -1.369 736 HE1 TYR2104 2HE TYR2104 3.793 2.755 0.742 737 HE2 TYR2104 1HE TYR2104 1.403 6.284 0.625 738 HH TYR2104 HH TYR2104 3.854 4.322 2.259 739 H TYR2105 H TYR2105 -0.122 3.281 -5.309 740 HA TYR2105 HA TYR2105 -2.014 1.416 -5.925 741 HB2 TYR2105 1HB TYR2105 -1.282 3.938 -6.696 742 HB3 TYR2105 2HB TYR2105 -0.673 3.060 -8.103 743 HD1 TYR2105 2HD TYR2105 -2.862 0.932 -8.207 744 HD2 TYR2105 1HD TYR2105 -3.024 5.179 -7.712 745 HE1 TYR2105 2HE TYR2105 -5.198 0.966 -9.212 746 HE2 TYR2105 1HE TYR2105 -5.359 5.199 -8.721 747 HH TYR2105 HH TYR2105 -7.286 3.298 -8.831 748 H HIS2106 H HIS2106 1.357 1.671 -7.138 749 HA HIS2106 HA HIS2106 1.086 -0.126 -9.241 750 HB2 HIS2106 1HB HIS2106 3.109 1.411 -8.051 751 HB3 HIS2106 2HB HIS2106 3.698 -0.255 -7.991 752 HD1 HIS2106 1HD HIS2106 5.397 -0.216 -9.865 753 HD2 HIS2106 2HD HIS2106 1.669 1.318 -11.026 754 HE1 HIS2106 1HE HIS2106 5.528 0.150 -12.386 755 HE2 HIS2106 2HE HIS2106 3.208 1.098 -13.053 756 H VAL2107 H VAL2107 2.043 -0.621 -5.781 757 HA VAL2107 HA VAL2107 2.312 -3.430 -6.116 758 HB VAL2107 HB VAL2107 3.062 -3.410 -3.988 759 HG11 VAL2107 1HG1 VAL2107 3.112 -0.404 -4.190 760 HG12 VAL2107 2HG1 VAL2107 4.363 -1.519 -3.590 761 HG13 VAL2107 3HG1 VAL2107 4.034 -1.405 -5.336 762 HG21 VAL2107 3HG2 VAL2107 1.061 -1.244 -3.251 763 HG22 VAL2107 1HG2 VAL2107 0.835 -2.992 -3.003 764 HG23 VAL2107 2HG2 VAL2107 2.126 -2.129 -2.131 765 H PHE2108 H PHE2108 -0.212 -1.236 -4.726 766 HA PHE2108 HA PHE2108 -1.944 -3.263 -3.936 767 HB2 PHE2108 1HB PHE2108 -2.020 -0.330 -4.672 768 HB3 PHE2108 2HB PHE2108 -3.582 -1.146 -4.529 769 HD1 PHE2108 1HD PHE2108 -0.545 -0.123 -2.716 770 HD2 PHE2108 2HD PHE2108 -4.444 -1.766 -2.385 771 HE1 PHE2108 1HE PHE2108 -0.473 0.206 -0.229 772 HE2 PHE2108 2HE PHE2108 -4.371 -1.437 0.101 773 HZ PHE2108 HZ PHE2108 -2.388 -0.455 1.150 774 H ARG2109 H ARG2109 -1.294 -1.797 -7.106 775 HA ARG2109 HA ARG2109 -3.704 -2.741 -8.237 776 HB2 ARG2109 1HB ARG2109 -2.601 -0.792 -9.194 777 HB3 ARG2109 2HB ARG2109 -1.106 -1.703 -9.471 778 HG2 ARG2109 1HG ARG2109 -2.015 -1.833 -11.583 779 HG3 ARG2109 2HG ARG2109 -2.784 -3.267 -10.883 780 HD2 ARG2109 1HD ARG2109 -4.849 -2.127 -10.563 781 HD3 ARG2109 2HD ARG2109 -4.107 -0.532 -10.746 782 HE ARG2109 HE ARG2109 -5.138 -2.186 -12.855 783 HH11 ARG2109 2HH2 ARG2109 -2.408 -0.035 -12.163 784 HH12 ARG2109 1HH2 ARG2109 -2.164 0.394 -13.822 785 H ARG2110 H ARG2110 -0.284 -3.835 -8.028 786 HA ARG2110 HA ARG2110 -0.435 -5.837 -9.904 787 HB2 ARG2110 1HB ARG2110 1.353 -5.012 -7.734 788 HB3 ARG2110 2HB ARG2110 1.324 -6.777 -7.896 789 HG2 ARG2110 1HG ARG2110 1.446 -5.453 -10.501 790 HG3 ARG2110 2HG ARG2110 2.793 -4.947 -9.467 791 HD2 ARG2110 1HD ARG2110 2.082 -7.875 -9.651 792 HD3 ARG2110 2HD ARG2110 2.987 -7.131 -10.979 793 HE ARG2110 HE ARG2110 4.249 -6.369 -8.557 794 HH11 ARG2110 2HH2 ARG2110 3.655 -9.344 -10.388 795 HH12 ARG2110 1HH2 ARG2110 5.073 -10.141 -9.791 796 H ILE2111 H ILE2111 -0.924 -5.928 -6.303 797 HA ILE2111 HA ILE2111 -1.363 -8.585 -5.957 798 HB ILE2111 HB ILE2111 -2.927 -7.820 -4.101 799 HG12 ILE2111 1HG1 ILE2111 -2.038 -5.100 -5.078 800 HG13 ILE2111 2HG1 ILE2111 -3.689 -5.736 -5.151 801 HG21 ILE2111 1HG2 ILE2111 -0.326 -8.154 -4.119 802 HG22 ILE2111 2HG2 ILE2111 -0.302 -6.385 -3.930 803 HG23 ILE2111 3HG2 ILE2111 -1.135 -7.397 -2.725 804 HD11 ILE2111 3HD1 ILE2111 -2.050 -4.922 -2.735 805 HD12 ILE2111 1HD1 ILE2111 -3.704 -4.438 -3.181 806 HD13 ILE2111 2HD1 ILE2111 -3.393 -6.077 -2.559 807 H SER2112 H SER2112 -3.380 -6.222 -7.636 808 HA SER2112 HA SER2112 -5.575 -8.096 -7.678 809 HB2 SER2112 1HB SER2112 -6.924 -6.330 -8.314 810 HB3 SER2112 2HB SER2112 -5.672 -5.454 -7.415 811 HG SER2112 HG SER2112 -4.772 -4.727 -9.320 812 H LYS2113 H LYS2113 -3.387 -6.293 -9.948 813 HA LYS2113 HA LYS2113 -4.242 -7.146 -12.338 814 HB2 LYS2113 1HB LYS2113 -2.424 -5.637 -12.158 815 HB3 LYS2113 2HB LYS2113 -1.409 -6.826 -11.324 816 HG2 LYS2113 1HG LYS2113 -0.590 -7.366 -13.357 817 HG3 LYS2113 2HG LYS2113 -2.159 -8.113 -13.709 818 HD2 LYS2113 1HD LYS2113 -2.234 -6.637 -15.433 819 HD3 LYS2113 2HD LYS2113 -2.679 -5.441 -14.202 820 HE2 LYS2113 1HE LYS2113 -0.283 -4.850 -13.930 821 HE3 LYS2113 2HE LYS2113 0.164 -6.053 -15.148 822 HZ1 LYS2113 2HZ LYS2113 -0.834 -3.412 -15.538 823 HZ3 LYS2113 1HZ LYS2113 -1.761 -4.484 -16.338 824 H GLN2114 H GLN2114 -2.750 -9.110 -9.793 825 HA GLN2114 HA GLN2114 -3.583 -11.442 -11.178 826 HB2 GLN2114 1HB GLN2114 -1.215 -10.752 -12.078 827 HB3 GLN2114 2HB GLN2114 -0.627 -11.391 -10.532 828 HG2 GLN2114 1HG GLN2114 -1.278 -13.573 -11.044 829 HG3 GLN2114 2HG GLN2114 -2.545 -13.057 -12.166 830 HE21 GLN2114 1HE2 GLN2114 -1.954 -12.263 -14.230 831 HE22 GLN2114 2HE2 GLN2114 -0.471 -12.731 -14.994 Start of MODEL 12 1 H MET2014 H MET2014 -10.833 -7.247 -13.988 2 HA MET2014 HA MET2014 -10.751 -8.401 -11.509 3 HB2 MET2014 1HB MET2014 -12.919 -6.557 -11.763 4 HB3 MET2014 2HB MET2014 -13.648 -8.169 -11.865 5 HG2 MET2014 1HG MET2014 -13.471 -8.354 -9.618 6 HG3 MET2014 2HG MET2014 -11.713 -8.251 -9.751 7 HE1 MET2014 3HE MET2014 -12.278 -7.593 -7.392 8 HE2 MET2014 1HE MET2014 -12.215 -5.880 -6.914 9 HE3 MET2014 2HE MET2014 -13.788 -6.670 -7.182 10 H GLU2015 H GLU2015 -9.982 -10.087 -12.908 11 HA GLU2015 HA GLU2015 -11.838 -11.087 -14.861 12 HB2 GLU2015 1HB GLU2015 -9.356 -10.882 -15.274 13 HB3 GLU2015 2HB GLU2015 -9.097 -12.183 -14.100 14 HG2 GLU2015 1HG GLU2015 -9.455 -13.677 -15.746 15 HG3 GLU2015 2HG GLU2015 -11.119 -13.095 -15.896 16 HE2 GLU2015 HE GLU2015 -9.051 -12.682 -18.995 17 H LEU2016 H LEU2016 -10.841 -11.676 -11.554 18 HA LEU2016 HA LEU2016 -12.781 -13.790 -11.365 19 HB2 LEU2016 1HB LEU2016 -10.346 -14.641 -12.034 20 HB3 LEU2016 2HB LEU2016 -10.129 -14.553 -10.276 21 HG LEU2016 HG LEU2016 -10.833 -16.786 -11.298 22 HD11 LEU2016 1HD1 LEU2016 -12.382 -17.287 -9.408 23 HD12 LEU2016 2HD1 LEU2016 -10.889 -16.446 -8.923 24 HD13 LEU2016 3HD1 LEU2016 -12.421 -15.546 -9.036 25 HD21 LEU2016 3HD2 LEU2016 -13.662 -15.887 -11.206 26 HD22 LEU2016 1HD2 LEU2016 -12.708 -15.406 -12.631 27 HD23 LEU2016 2HD2 LEU2016 -12.876 -17.128 -12.210 28 H ILE2017 H ILE2017 -13.588 -14.013 -9.242 29 HA ILE2017 HA ILE2017 -13.617 -11.806 -7.675 30 HB ILE2017 HB ILE2017 -14.685 -14.367 -7.626 31 HG12 ILE2017 1HG1 ILE2017 -15.204 -12.382 -5.437 32 HG13 ILE2017 2HG1 ILE2017 -15.610 -11.978 -7.114 33 HG21 ILE2017 1HG2 ILE2017 -12.927 -15.168 -6.162 34 HG22 ILE2017 2HG2 ILE2017 -13.220 -13.828 -5.028 35 HG23 ILE2017 3HG2 ILE2017 -14.467 -15.074 -5.275 36 HD11 ILE2017 3HD1 ILE2017 -17.522 -13.007 -5.862 37 HD12 ILE2017 1HD1 ILE2017 -17.038 -13.977 -7.273 38 HD13 ILE2017 2HD1 ILE2017 -16.550 -14.481 -5.637 39 H ARG2018 H ARG2018 -12.710 -11.406 -5.464 40 HA ARG2018 HA ARG2018 -9.939 -12.295 -5.456 41 HB2 ARG2018 1HB ARG2018 -11.206 -9.769 -4.299 42 HB3 ARG2018 2HB ARG2018 -9.491 -10.188 -4.135 43 HG2 ARG2018 1HG ARG2018 -10.529 -10.277 -6.912 44 HG3 ARG2018 2HG ARG2018 -10.572 -8.664 -6.177 45 HD2 ARG2018 1HD ARG2018 -8.425 -8.685 -7.079 46 HD3 ARG2018 2HD ARG2018 -8.083 -9.282 -5.448 47 HE ARG2018 HE ARG2018 -8.693 -11.347 -7.469 48 HH11 ARG2018 2HH2 ARG2018 -6.166 -9.534 -5.772 49 HH12 ARG2018 1HH2 ARG2018 -4.928 -10.694 -6.119 50 H VAL2019 H VAL2019 -9.332 -13.611 -3.755 51 HA VAL2019 HA VAL2019 -10.985 -14.713 -1.965 52 HB VAL2019 HB VAL2019 -8.781 -15.521 -2.284 53 HG11 VAL2019 1HG1 VAL2019 -7.763 -13.251 -2.714 54 HG12 VAL2019 2HG1 VAL2019 -7.661 -13.039 -0.949 55 HG13 VAL2019 3HG1 VAL2019 -6.764 -14.357 -1.740 56 HG21 VAL2019 3HG2 VAL2019 -9.406 -16.261 -0.191 57 HG22 VAL2019 1HG2 VAL2019 -7.893 -15.409 0.198 58 HG23 VAL2019 2HG2 VAL2019 -9.460 -14.621 0.498 59 HA PRO2020 HA PRO2020 -12.118 -11.518 0.744 60 HB2 PRO2020 1HB PRO2020 -13.506 -13.009 2.565 61 HB3 PRO2020 2HB PRO2020 -14.208 -12.434 1.055 62 HG2 PRO2020 1HG PRO2020 -13.248 -15.123 1.798 63 HG3 PRO2020 2HG PRO2020 -14.380 -14.660 0.476 64 HD2 PRO2020 1HD PRO2020 -11.625 -15.423 0.280 65 HD3 PRO2020 2HD PRO2020 -12.651 -14.824 -1.031 66 H ILE2021 H ILE2021 -10.628 -14.420 2.007 67 HA ILE2021 HA ILE2021 -9.522 -12.754 4.154 68 HB ILE2021 HB ILE2021 -9.106 -14.859 5.320 69 HG12 ILE2021 1HG1 ILE2021 -10.708 -16.728 4.041 70 HG13 ILE2021 2HG1 ILE2021 -9.768 -16.006 2.723 71 HG21 ILE2021 1HG2 ILE2021 -11.983 -15.091 4.624 72 HG22 ILE2021 2HG2 ILE2021 -11.186 -14.939 6.209 73 HG23 ILE2021 3HG2 ILE2021 -11.416 -13.501 5.185 74 HD11 ILE2021 3HD1 ILE2021 -8.873 -17.665 5.042 75 HD12 ILE2021 1HD1 ILE2021 -8.213 -17.563 3.392 76 HD13 ILE2021 2HD1 ILE2021 -7.805 -16.313 4.592 77 H LEU2022 H LEU2022 -7.714 -11.803 3.280 78 HA LEU2022 HA LEU2022 -5.417 -13.318 3.013 79 HB2 LEU2022 1HB LEU2022 -6.939 -13.769 0.832 80 HB3 LEU2022 2HB LEU2022 -5.996 -12.373 0.282 81 HG LEU2022 HG LEU2022 -5.106 -14.686 -0.279 82 HD11 LEU2022 1HD1 LEU2022 -2.849 -13.547 1.143 83 HD12 LEU2022 2HD1 LEU2022 -3.159 -13.666 -0.606 84 HD13 LEU2022 3HD1 LEU2022 -3.807 -12.292 0.321 85 HD21 LEU2022 3HD2 LEU2022 -4.529 -16.177 1.279 86 HD22 LEU2022 1HD2 LEU2022 -3.759 -14.946 2.309 87 HD23 LEU2022 2HD2 LEU2022 -5.518 -15.203 2.392 88 H TRP2023 H TRP2023 -3.550 -11.923 2.211 89 HA TRP2023 HA TRP2023 -3.665 -9.448 3.453 90 HB2 TRP2023 1HB TRP2023 -1.767 -10.956 1.800 91 HB3 TRP2023 2HB TRP2023 -1.581 -9.204 1.701 92 HD1 TRP2023 HD TRP2023 -2.738 -10.563 5.070 93 HE1 TRP2023 1HE TRP2023 -0.845 -10.391 6.901 94 HE3 TRP2023 3HE TRP2023 0.989 -9.297 1.852 95 HZ2 TRP2023 2HZ TRP2023 1.936 -9.759 6.800 96 HZ3 TRP2023 3HZ TRP2023 3.265 -8.920 2.800 97 HH2 TRP2023 HH TRP2023 3.767 -9.133 5.183 98 H HIS2024 H HIS2024 -3.897 -10.399 -0.041 99 HA HIS2024 HA HIS2024 -4.020 -7.934 -1.164 100 HB2 HIS2024 1HB HIS2024 -5.801 -10.211 -2.019 101 HB3 HIS2024 2HB HIS2024 -5.063 -8.962 -3.028 102 HD1 HIS2024 1HD HIS2024 -4.644 -12.407 -2.049 103 HD2 HIS2024 2HD HIS2024 -2.045 -9.243 -2.962 104 HE1 HIS2024 1HE HIS2024 -2.388 -13.469 -2.595 105 HE2 HIS2024 2HE HIS2024 -0.822 -11.478 -3.149 106 H GLU2025 H GLU2025 -6.440 -9.585 0.835 107 HA GLU2025 HA GLU2025 -8.583 -7.949 0.066 108 HB2 GLU2025 1HB GLU2025 -8.772 -10.199 1.154 109 HB3 GLU2025 2HB GLU2025 -8.211 -9.482 2.675 110 HG2 GLU2025 1HG GLU2025 -10.473 -9.264 3.012 111 HG3 GLU2025 2HG GLU2025 -10.222 -7.758 2.115 112 HE2 GLU2025 HE GLU2025 -12.952 -9.717 0.633 113 H MET2026 H MET2026 -5.934 -7.673 2.423 114 HA MET2026 HA MET2026 -7.135 -5.626 3.927 115 HB2 MET2026 1HB MET2026 -5.394 -6.592 5.115 116 HB3 MET2026 2HB MET2026 -4.455 -6.951 3.656 117 HG2 MET2026 1HG MET2026 -4.804 -4.080 4.534 118 HG3 MET2026 2HG MET2026 -3.631 -5.093 5.378 119 HE1 MET2026 3HE MET2026 -0.695 -4.479 3.560 120 HE2 MET2026 1HE MET2026 -1.610 -3.011 3.978 121 HE3 MET2026 2HE MET2026 -1.674 -4.433 5.044 122 H TRP2027 H TRP2027 -4.951 -5.727 1.074 123 HA TRP2027 HA TRP2027 -4.342 -2.983 1.063 124 HB2 TRP2027 1HB TRP2027 -4.353 -5.045 -1.142 125 HB3 TRP2027 2HB TRP2027 -3.702 -3.413 -1.303 126 HD1 TRP2027 HD TRP2027 -3.037 -6.636 0.791 127 HE1 TRP2027 1HE TRP2027 -0.492 -6.793 1.471 128 HE3 TRP2027 3HE TRP2027 -1.705 -2.116 -1.119 129 HZ2 TRP2027 2HZ TRP2027 1.742 -5.049 1.141 130 HZ3 TRP2027 3HZ TRP2027 0.678 -1.419 -0.899 131 HH2 TRP2027 HH TRP2027 2.376 -2.803 0.186 132 H HIS2028 H HIS2028 -6.812 -5.003 -0.680 133 HA HIS2028 HA HIS2028 -7.980 -2.982 -2.114 134 HB2 HIS2028 1HB HIS2028 -9.183 -4.691 -2.820 135 HB3 HIS2028 2HB HIS2028 -8.458 -5.703 -1.566 136 HD1 HIS2028 1HD HIS2028 -11.173 -2.984 -1.386 137 HD2 HIS2028 2HD HIS2028 -10.529 -7.004 -0.370 138 HE1 HIS2028 1HE HIS2028 -13.287 -3.768 -0.193 139 HE2 HIS2028 2HE HIS2028 -12.841 -6.250 0.414 140 H GLU2029 H GLU2029 -8.891 -4.210 1.182 141 HA GLU2029 HA GLU2029 -10.867 -2.264 1.519 142 HB2 GLU2029 1HB GLU2029 -9.352 -3.758 3.690 143 HB3 GLU2029 2HB GLU2029 -10.975 -3.057 3.819 144 HG2 GLU2029 1HG GLU2029 -10.659 -4.942 1.564 145 HG3 GLU2029 2HG GLU2029 -10.394 -5.692 3.145 146 HE2 GLU2029 HE GLU2029 -13.820 -6.059 3.167 147 H GLY2030 H GLY2030 -7.401 -2.496 2.492 148 HA2 GLY2030 2HA GLY2030 -7.209 -0.288 4.138 149 HA3 GLY2030 3HA GLY2030 -5.930 -0.913 3.116 150 H LEU2031 H LEU2031 -6.295 -0.357 0.614 151 HA LEU2031 HA LEU2031 -6.100 2.410 0.404 152 HB2 LEU2031 1HB LEU2031 -5.527 0.237 -1.139 153 HB3 LEU2031 2HB LEU2031 -6.867 0.972 -2.036 154 HG LEU2031 HG LEU2031 -5.657 3.008 -2.325 155 HD11 LEU2031 1HD1 LEU2031 -3.929 1.937 -0.144 156 HD12 LEU2031 2HD1 LEU2031 -3.174 2.970 -1.381 157 HD13 LEU2031 3HD1 LEU2031 -4.542 3.584 -0.425 158 HD21 LEU2031 3HD2 LEU2031 -3.284 1.596 -2.978 159 HD22 LEU2031 1HD2 LEU2031 -4.655 0.490 -3.235 160 HD23 LEU2031 2HD2 LEU2031 -4.625 2.074 -4.048 161 H GLU2032 H GLU2032 -8.873 0.201 0.276 162 HA GLU2032 HA GLU2032 -10.645 1.764 -1.086 163 HB2 GLU2032 1HB GLU2032 -10.720 -0.519 0.709 164 HB3 GLU2032 2HB GLU2032 -12.119 0.529 0.998 165 HG2 GLU2032 1HG GLU2032 -12.131 0.514 -1.710 166 HG3 GLU2032 2HG GLU2032 -11.370 -1.060 -1.436 167 HE2 GLU2032 HE GLU2032 -15.166 -0.966 -1.282 168 H GLU2033 H GLU2033 -9.923 1.722 2.472 169 HA GLU2033 HA GLU2033 -11.714 3.858 2.950 170 HB2 GLU2033 1HB GLU2033 -10.767 1.940 4.524 171 HB3 GLU2033 2HB GLU2033 -9.512 3.141 4.879 172 HG2 GLU2033 1HG GLU2033 -10.991 4.565 5.941 173 HG3 GLU2033 2HG GLU2033 -12.369 4.073 4.941 174 HE2 GLU2033 HE GLU2033 -11.685 2.337 8.418 175 H ALA2034 H ALA2034 -8.100 3.508 2.867 176 HA ALA2034 HA ALA2034 -7.439 6.102 3.470 177 HB1 ALA2034 3HB ALA2034 -6.170 3.960 1.746 178 HB2 ALA2034 1HB ALA2034 -5.391 5.542 1.982 179 HB3 ALA2034 2HB ALA2034 -5.714 4.492 3.382 180 H SER2035 H SER2035 -8.360 4.635 0.302 181 HA SER2035 HA SER2035 -7.915 7.034 -1.100 182 HB2 SER2035 1HB SER2035 -8.902 5.891 -2.984 183 HB3 SER2035 2HB SER2035 -7.906 4.719 -2.105 184 HG SER2035 HG SER2035 -10.779 4.978 -2.160 185 H ARG2036 H ARG2036 -10.879 5.293 0.079 186 HA ARG2036 HA ARG2036 -12.749 6.980 -0.876 187 HB2 ARG2036 1HB ARG2036 -12.525 5.160 1.480 188 HB3 ARG2036 2HB ARG2036 -13.853 6.331 1.553 189 HG2 ARG2036 1HG ARG2036 -13.983 5.370 -1.060 190 HG3 ARG2036 2HG ARG2036 -13.536 3.929 -0.134 191 HD2 ARG2036 1HD ARG2036 -15.681 3.735 0.538 192 HD3 ARG2036 2HD ARG2036 -15.566 5.297 1.360 193 HE ARG2036 HE ARG2036 -16.730 4.765 -1.303 194 HH11 ARG2036 2HH2 ARG2036 -15.615 7.217 0.998 195 HH12 ARG2036 1HH2 ARG2036 -16.509 8.500 0.254 196 H LEU2037 H LEU2037 -10.957 7.202 2.277 197 HA LEU2037 HA LEU2037 -12.234 9.593 3.069 198 HB2 LEU2037 1HB LEU2037 -10.630 9.637 4.831 199 HB3 LEU2037 2HB LEU2037 -11.235 7.984 4.618 200 HG LEU2037 HG LEU2037 -9.052 7.713 3.169 201 HD11 LEU2037 1HD1 LEU2037 -8.688 10.336 4.414 202 HD12 LEU2037 2HD1 LEU2037 -7.350 9.208 4.742 203 HD13 LEU2037 3HD1 LEU2037 -7.819 9.568 3.063 204 HD21 LEU2037 3HD2 LEU2037 -9.269 7.688 6.178 205 HD22 LEU2037 1HD2 LEU2037 -9.361 6.326 5.034 206 HD23 LEU2037 2HD2 LEU2037 -7.805 7.138 5.328 207 H TYR2038 H TYR2038 -9.124 8.821 1.406 208 HA TYR2038 HA TYR2038 -8.078 11.378 1.361 209 HB2 TYR2038 1HB TYR2038 -6.812 9.414 0.665 210 HB3 TYR2038 2HB TYR2038 -8.065 8.926 -0.481 211 HD1 TYR2038 2HD TYR2038 -5.437 11.493 0.159 212 HD2 TYR2038 1HD TYR2038 -7.959 9.615 -2.743 213 HE1 TYR2038 2HE TYR2038 -4.171 12.662 -1.710 214 HE2 TYR2038 1HE TYR2038 -6.685 10.791 -4.601 215 HH TYR2038 HH TYR2038 -4.933 11.985 -5.102 216 H PHE2039 H PHE2039 -10.218 9.729 -1.067 217 HA PHE2039 HA PHE2039 -10.355 12.084 -2.670 218 HB2 PHE2039 1HB PHE2039 -11.782 9.383 -2.474 219 HB3 PHE2039 2HB PHE2039 -12.271 10.570 -3.687 220 HD1 PHE2039 2HD PHE2039 -10.191 11.518 -5.098 221 HD2 PHE2039 1HD PHE2039 -10.305 7.761 -3.125 222 HE1 PHE2039 2HE PHE2039 -8.406 10.655 -6.636 223 HE2 PHE2039 1HE PHE2039 -8.518 6.899 -4.664 224 HZ PHE2039 HZ PHE2039 -7.591 8.357 -6.401 225 H GLY2040 H GLY2040 -12.554 10.377 -0.354 226 HA2 GLY2040 2HA GLY2040 -14.650 12.322 -0.691 227 HA3 GLY2040 3HA GLY2040 -14.592 10.989 0.444 228 H GLU2041 H GLU2041 -12.938 11.235 2.319 229 HA GLU2041 HA GLU2041 -13.603 13.384 3.811 230 HB2 GLU2041 1HB GLU2041 -12.305 11.144 4.339 231 HB3 GLU2041 2HB GLU2041 -10.863 12.158 4.150 232 HG2 GLU2041 1HG GLU2041 -11.614 12.053 6.508 233 HG3 GLU2041 2HG GLU2041 -11.715 13.707 5.882 234 HE2 GLU2041 HE GLU2041 -15.117 13.870 6.280 235 H ARG2042 H ARG2042 -10.768 12.990 1.613 236 HA ARG2042 HA ARG2042 -9.743 14.569 0.468 237 HB2 ARG2042 1HB ARG2042 -11.778 16.099 1.049 238 HB3 ARG2042 2HB ARG2042 -10.740 16.774 2.316 239 HG2 ARG2042 1HG ARG2042 -10.717 18.031 0.114 240 HG3 ARG2042 2HG ARG2042 -9.118 17.526 0.683 241 HD2 ARG2042 1HD ARG2042 -8.863 15.979 -1.013 242 HD3 ARG2042 2HD ARG2042 -10.592 15.614 -1.102 243 HE ARG2042 HE ARG2042 -10.242 18.295 -1.962 244 HH11 ARG2042 2HH2 ARG2042 -9.330 15.045 -3.039 245 HH12 ARG2042 1HH2 ARG2042 -9.282 15.479 -4.716 246 H ASN2043 H ASN2043 -9.266 13.364 3.380 247 HA ASN2043 HA ASN2043 -7.043 15.131 4.038 248 HB2 ASN2043 1HB ASN2043 -8.934 13.458 5.643 249 HB3 ASN2043 2HB ASN2043 -7.255 13.444 6.205 250 HD21 ASN2043 1HD2 ASN2043 -8.716 14.426 8.003 251 HD22 ASN2043 2HD2 ASN2043 -8.763 16.155 8.073 252 H VAL2044 H VAL2044 -4.979 14.271 3.686 253 HA VAL2044 HA VAL2044 -4.799 11.565 2.731 254 HB VAL2044 HB VAL2044 -2.485 12.160 2.264 255 HG11 VAL2044 1HG1 VAL2044 -3.545 14.622 1.210 256 HG12 VAL2044 2HG1 VAL2044 -3.209 13.088 0.373 257 HG13 VAL2044 3HG1 VAL2044 -4.791 13.355 1.141 258 HG21 VAL2044 3HG2 VAL2044 -2.241 14.878 2.715 259 HG22 VAL2044 1HG2 VAL2044 -3.038 14.297 4.197 260 HG23 VAL2044 2HG2 VAL2044 -1.490 13.586 3.683 261 H LYS2045 H LYS2045 -4.302 13.374 5.713 262 HA LYS2045 HA LYS2045 -2.423 11.846 6.988 263 HB2 LYS2045 1HB LYS2045 -3.766 12.508 9.079 264 HB3 LYS2045 2HB LYS2045 -3.084 13.798 8.070 265 HG2 LYS2045 1HG LYS2045 -5.814 12.884 7.319 266 HG3 LYS2045 2HG LYS2045 -5.704 13.690 8.893 267 HD2 LYS2045 1HD LYS2045 -4.163 15.079 6.818 268 HD3 LYS2045 2HD LYS2045 -5.871 14.932 6.374 269 HE2 LYS2045 1HE LYS2045 -6.588 16.152 8.259 270 HE3 LYS2045 2HE LYS2045 -5.093 15.853 9.157 271 HZ1 LYS2045 2HZ LYS2045 -4.720 17.981 8.422 272 HZ3 LYS2045 1HZ LYS2045 -5.620 17.835 7.072 273 H GLY2046 H GLY2046 -5.905 11.183 6.421 274 HA2 GLY2046 2HA GLY2046 -6.159 8.966 8.112 275 HA3 GLY2046 3HA GLY2046 -7.131 9.320 6.697 276 H MET2047 H MET2047 -5.417 9.164 4.553 277 HA MET2047 HA MET2047 -5.244 6.488 4.103 278 HB2 MET2047 1HB MET2047 -5.172 7.949 2.226 279 HB3 MET2047 2HB MET2047 -3.872 8.937 2.918 280 HG2 MET2047 1HG MET2047 -3.359 6.025 2.278 281 HG3 MET2047 2HG MET2047 -3.356 7.205 0.964 282 HE1 MET2047 3HE MET2047 -1.799 9.843 3.171 283 HE2 MET2047 1HE MET2047 -0.758 9.677 1.737 284 HE3 MET2047 2HE MET2047 -2.525 9.541 1.573 285 H PHE2048 H PHE2048 -2.742 8.740 5.384 286 HA PHE2048 HA PHE2048 -0.639 6.876 5.284 287 HB2 PHE2048 1HB PHE2048 -1.340 9.449 6.761 288 HB3 PHE2048 2HB PHE2048 0.154 8.605 7.177 289 HD1 PHE2048 2HD PHE2048 1.571 7.929 4.976 290 HD2 PHE2048 1HD PHE2048 -1.166 11.160 5.254 291 HE1 PHE2048 2HE PHE2048 2.733 9.078 3.069 292 HE2 PHE2048 1HE PHE2048 -0.004 12.308 3.348 293 HZ PHE2048 HZ PHE2048 1.931 11.253 2.279 294 H GLU2049 H GLU2049 -3.123 7.709 7.742 295 HA GLU2049 HA GLU2049 -1.879 6.142 9.739 296 HB2 GLU2049 1HB GLU2049 -4.703 7.256 9.539 297 HB3 GLU2049 2HB GLU2049 -3.994 6.558 11.005 298 HG2 GLU2049 1HG GLU2049 -2.525 8.351 11.299 299 HG3 GLU2049 2HG GLU2049 -2.544 8.797 9.586 300 HE2 GLU2049 HE GLU2049 -4.768 11.267 10.362 301 H VAL2050 H VAL2050 -3.752 5.440 6.940 302 HA VAL2050 HA VAL2050 -4.991 3.078 8.040 303 HB VAL2050 HB VAL2050 -4.911 4.428 5.352 304 HG11 VAL2050 1HG1 VAL2050 -4.792 1.939 5.049 305 HG12 VAL2050 2HG1 VAL2050 -6.329 1.809 5.938 306 HG13 VAL2050 3HG1 VAL2050 -6.265 2.687 4.390 307 HG21 VAL2050 3HG2 VAL2050 -7.462 3.679 6.655 308 HG22 VAL2050 1HG2 VAL2050 -6.482 4.883 7.525 309 HG23 VAL2050 2HG2 VAL2050 -6.984 5.189 5.844 310 H LEU2051 H LEU2051 -2.307 3.957 5.785 311 HA LEU2051 HA LEU2051 -1.615 1.216 5.377 312 HB2 LEU2051 1HB LEU2051 -0.197 3.789 4.711 313 HB3 LEU2051 2HB LEU2051 0.320 2.179 4.181 314 HG LEU2051 HG LEU2051 -1.147 2.147 2.490 315 HD11 LEU2051 1HD1 LEU2051 -3.011 1.826 4.143 316 HD12 LEU2051 2HD1 LEU2051 -3.262 3.589 4.105 317 HD13 LEU2051 3HD1 LEU2051 -3.479 2.626 2.625 318 HD21 LEU2051 3HD2 LEU2051 -0.124 4.537 2.580 319 HD22 LEU2051 1HD2 LEU2051 -1.449 4.187 1.444 320 HD23 LEU2051 2HD2 LEU2051 -1.786 5.043 2.968 321 H GLU2052 H GLU2052 -0.422 3.963 7.381 322 HA GLU2052 HA GLU2052 1.867 3.118 8.320 323 HB2 GLU2052 1HB GLU2052 -0.344 4.672 9.375 324 HB3 GLU2052 2HB GLU2052 0.465 3.808 10.694 325 HG2 GLU2052 1HG GLU2052 2.657 4.686 9.445 326 HG3 GLU2052 2HG GLU2052 1.546 5.916 8.822 327 HE2 GLU2052 HE GLU2052 2.773 7.331 11.840 328 HA PRO2053 HA PRO2053 -0.102 -0.059 11.229 329 HB2 PRO2053 1HB PRO2053 -2.790 -0.540 11.132 330 HB3 PRO2053 2HB PRO2053 -2.050 0.565 12.287 331 HG2 PRO2053 1HG PRO2053 -3.562 1.133 9.817 332 HG3 PRO2053 2HG PRO2053 -3.239 2.224 11.214 333 HD2 PRO2053 1HD PRO2053 -2.017 2.236 8.624 334 HD3 PRO2053 2HD PRO2053 -1.552 3.225 10.014 335 H LEU2054 H LEU2054 -1.969 -0.014 8.240 336 HA LEU2054 HA LEU2054 -2.168 -2.712 7.869 337 HB2 LEU2054 1HB LEU2054 -2.414 -0.308 6.324 338 HB3 LEU2054 2HB LEU2054 -1.678 -1.587 5.342 339 HG LEU2054 HG LEU2054 -3.567 -2.937 5.462 340 HD11 LEU2054 1HD1 LEU2054 -5.495 -2.233 7.107 341 HD12 LEU2054 2HD1 LEU2054 -4.123 -3.216 7.670 342 HD13 LEU2054 3HD1 LEU2054 -4.162 -1.467 8.002 343 HD21 LEU2054 3HD2 LEU2054 -4.117 -1.171 4.010 344 HD22 LEU2054 1HD2 LEU2054 -5.548 -1.391 5.046 345 HD23 LEU2054 2HD2 LEU2054 -4.423 -0.046 5.355 346 H HIS2055 H HIS2055 0.507 -0.544 6.703 347 HA HIS2055 HA HIS2055 2.045 -2.623 5.687 348 HB2 HIS2055 1HB HIS2055 2.740 0.149 6.661 349 HB3 HIS2055 2HB HIS2055 3.925 -0.927 5.910 350 HD1 HIS2055 1HD HIS2055 2.942 1.859 4.707 351 HD2 HIS2055 2HD HIS2055 1.584 -1.940 3.560 352 HE1 HIS2055 1HE HIS2055 2.024 2.111 2.339 353 HE2 HIS2055 2HE HIS2055 1.197 -0.255 1.679 354 H ALA2056 H ALA2056 2.195 -0.908 8.885 355 HA ALA2056 HA ALA2056 4.310 -2.251 9.969 356 HB1 ALA2056 3HB ALA2056 1.796 -0.999 11.062 357 HB2 ALA2056 1HB ALA2056 2.894 -1.865 12.164 358 HB3 ALA2056 2HB ALA2056 3.489 -0.472 11.227 359 H MET2057 H MET2057 0.807 -3.202 10.018 360 HA MET2057 HA MET2057 1.065 -5.464 11.492 361 HB2 MET2057 1HB MET2057 -1.153 -5.557 10.961 362 HB3 MET2057 2HB MET2057 -0.893 -4.196 9.856 363 HG2 MET2057 1HG MET2057 -0.364 -5.774 8.027 364 HG3 MET2057 2HG MET2057 -0.547 -7.146 9.126 365 HE1 MET2057 3HE MET2057 -2.170 -7.646 6.796 366 HE2 MET2057 1HE MET2057 -3.665 -6.723 6.509 367 HE3 MET2057 2HE MET2057 -2.080 -5.944 6.278 368 H MET2058 H MET2058 1.698 -4.972 7.986 369 HA MET2058 HA MET2058 2.060 -7.724 7.485 370 HB2 MET2058 1HB MET2058 3.006 -5.239 5.966 371 HB3 MET2058 2HB MET2058 2.950 -6.874 5.285 372 HG2 MET2058 1HG MET2058 0.365 -6.475 6.306 373 HG3 MET2058 2HG MET2058 0.787 -4.898 5.629 374 HE1 MET2058 3HE MET2058 -1.604 -6.408 4.419 375 HE2 MET2058 1HE MET2058 -1.266 -7.692 3.234 376 HE3 MET2058 2HE MET2058 -0.947 -7.971 4.963 377 H GLU2059 H GLU2059 4.079 -5.119 8.729 378 HA GLU2059 HA GLU2059 6.520 -6.397 8.050 379 HB2 GLU2059 1HB GLU2059 6.072 -4.214 10.113 380 HB3 GLU2059 2HB GLU2059 7.579 -4.584 9.258 381 HG2 GLU2059 1HG GLU2059 5.828 -4.168 7.166 382 HG3 GLU2059 2HG GLU2059 5.203 -3.030 8.369 383 HE2 GLU2059 HE GLU2059 7.998 -0.991 8.212 384 H ARG2060 H ARG2060 4.934 -5.628 11.239 385 HA ARG2060 HA ARG2060 6.614 -7.367 12.621 386 HB2 ARG2060 1HB ARG2060 5.008 -7.017 14.508 387 HB3 ARG2060 2HB ARG2060 5.460 -5.489 13.734 388 HG2 ARG2060 1HG ARG2060 3.334 -5.823 12.291 389 HG3 ARG2060 2HG ARG2060 2.863 -7.050 13.480 390 HD2 ARG2060 1HD ARG2060 3.349 -5.166 15.241 391 HD3 ARG2060 2HD ARG2060 3.232 -4.061 13.863 392 HE ARG2060 HE ARG2060 0.960 -5.615 13.628 393 HH11 ARG2060 2HH2 ARG2060 2.326 -3.723 16.294 394 HH12 ARG2060 1HH2 ARG2060 0.784 -3.382 17.006 395 H GLY2061 H GLY2061 3.593 -7.762 10.833 396 HA2 GLY2061 2HA GLY2061 3.533 -10.606 11.635 397 HA3 GLY2061 3HA GLY2061 2.071 -9.641 11.555 398 HA PRO2062 HA PRO2062 3.754 -10.394 7.159 399 HB2 PRO2062 1HB PRO2062 5.359 -12.577 6.823 400 HB3 PRO2062 2HB PRO2062 5.984 -10.938 6.977 401 HG2 PRO2062 1HG PRO2062 5.920 -13.132 8.947 402 HG3 PRO2062 2HG PRO2062 6.962 -11.664 8.934 403 HD2 PRO2062 1HD PRO2062 4.669 -12.207 10.565 404 HD3 PRO2062 2HD PRO2062 5.566 -10.684 10.478 405 H GLN2063 H GLN2063 4.258 -13.764 7.566 406 HA GLN2063 HA GLN2063 1.674 -14.577 7.897 407 HB2 GLN2063 1HB GLN2063 1.676 -13.279 5.543 408 HB3 GLN2063 2HB GLN2063 2.205 -14.867 4.956 409 HG2 GLN2063 1HG GLN2063 0.035 -15.482 4.970 410 HG3 GLN2063 2HG GLN2063 0.087 -15.424 6.739 411 HE21 GLN2063 1HE2 GLN2063 -1.136 -14.015 7.763 412 HE22 GLN2063 2HE2 GLN2063 -2.007 -12.693 7.059 413 H THR2064 H THR2064 4.043 -15.443 5.274 414 HA THR2064 HA THR2064 5.208 -17.531 6.820 415 HB THR2064 HB THR2064 3.086 -18.668 6.383 416 HG1 THR2064 1HG THR2064 4.467 -20.305 5.834 417 HG21 THR2064 3HG2 THR2064 3.625 -17.996 3.441 418 HG22 THR2064 1HG2 THR2064 2.331 -19.068 4.034 419 HG23 THR2064 2HG2 THR2064 2.296 -17.331 4.420 420 H LEU2065 H LEU2065 6.526 -19.035 5.164 421 HA LEU2065 HA LEU2065 8.352 -17.310 3.970 422 HB2 LEU2065 1HB LEU2065 8.171 -19.993 4.631 423 HB3 LEU2065 2HB LEU2065 8.363 -19.999 2.868 424 HG LEU2065 HG LEU2065 10.536 -20.164 3.696 425 HD11 LEU2065 1HD1 LEU2065 9.847 -17.990 2.202 426 HD12 LEU2065 2HD1 LEU2065 10.735 -17.231 3.544 427 HD13 LEU2065 3HD1 LEU2065 11.515 -18.496 2.564 428 HD21 LEU2065 3HD2 LEU2065 11.044 -18.050 5.451 429 HD22 LEU2065 1HD2 LEU2065 9.471 -18.706 5.964 430 HD23 LEU2065 2HD2 LEU2065 10.890 -19.777 5.855 431 H LYS2066 H LYS2066 5.323 -18.699 2.823 432 HA LYS2066 HA LYS2066 5.872 -18.435 0.064 433 HB2 LYS2066 1HB LYS2066 4.168 -19.929 0.959 434 HB3 LYS2066 2HB LYS2066 3.232 -18.544 1.554 435 HG2 LYS2066 1HG LYS2066 3.285 -17.713 -0.902 436 HG3 LYS2066 2HG LYS2066 3.810 -19.354 -1.321 437 HD2 LYS2066 1HD LYS2066 1.569 -19.542 0.472 438 HD3 LYS2066 2HD LYS2066 1.145 -18.399 -0.811 439 HE2 LYS2066 1HE LYS2066 1.509 -20.025 -2.516 440 HE3 LYS2066 2HE LYS2066 2.404 -21.098 -1.431 441 HZ1 LYS2066 2HZ LYS2066 -0.177 -20.652 -0.387 442 HZ3 LYS2066 1HZ LYS2066 0.464 -22.061 -0.893 443 H GLU2067 H GLU2067 4.075 -16.365 2.443 444 HA GLU2067 HA GLU2067 3.635 -14.350 0.549 445 HB2 GLU2067 1HB GLU2067 3.532 -14.399 3.583 446 HB3 GLU2067 2HB GLU2067 3.074 -12.972 2.637 447 HG2 GLU2067 1HG GLU2067 1.864 -15.729 2.198 448 HG3 GLU2067 2HG GLU2067 1.161 -14.546 3.313 449 HE2 GLU2067 HE GLU2067 0.435 -14.297 -0.524 450 H THR2068 H THR2068 6.361 -15.253 2.557 451 HA THR2068 HA THR2068 7.608 -12.801 2.916 452 HB THR2068 HB THR2068 8.691 -15.635 2.497 453 HG1 THR2068 1HG THR2068 7.288 -15.299 4.343 454 HG21 THR2068 3HG2 THR2068 10.453 -13.767 2.256 455 HG22 THR2068 1HG2 THR2068 10.029 -13.280 3.914 456 HG23 THR2068 2HG2 THR2068 10.720 -14.890 3.610 457 H SER2069 H SER2069 7.152 -14.718 -0.003 458 HA SER2069 HA SER2069 9.275 -13.494 -1.398 459 HB2 SER2069 1HB SER2069 8.370 -15.693 -2.027 460 HB3 SER2069 2HB SER2069 6.803 -14.961 -2.417 461 HG SER2069 HG SER2069 7.920 -15.181 -4.360 462 H PHE2070 H PHE2070 5.817 -12.813 -0.830 463 HA PHE2070 HA PHE2070 5.580 -10.888 -2.892 464 HB2 PHE2070 1HB PHE2070 3.551 -11.841 -2.095 465 HB3 PHE2070 2HB PHE2070 4.097 -11.831 -0.414 466 HD1 PHE2070 1HD PHE2070 2.634 -9.820 -3.116 467 HD2 PHE2070 2HD PHE2070 3.752 -9.900 0.977 468 HE1 PHE2070 1HE PHE2070 1.317 -7.722 -2.716 469 HE2 PHE2070 2HE PHE2070 2.434 -7.802 1.377 470 HZ PHE2070 HZ PHE2070 1.232 -6.738 -0.473 471 H ASN2071 H ASN2071 5.918 -10.653 0.722 472 HA ASN2071 HA ASN2071 5.913 -7.943 0.877 473 HB2 ASN2071 1HB ASN2071 5.881 -9.419 2.849 474 HB3 ASN2071 2HB ASN2071 7.530 -9.966 2.514 475 HD21 ASN2071 1HD2 ASN2071 5.569 -7.779 4.135 476 HD22 ASN2071 2HD2 ASN2071 6.759 -6.639 4.672 477 H GLN2072 H GLN2072 8.458 -10.229 -0.135 478 HA GLN2072 HA GLN2072 10.548 -8.325 0.048 479 HB2 GLN2072 1HB GLN2072 10.231 -11.156 -0.615 480 HB3 GLN2072 2HB GLN2072 11.393 -10.363 -1.693 481 HG2 GLN2072 1HG GLN2072 11.621 -9.701 1.207 482 HG3 GLN2072 2HG GLN2072 12.034 -11.365 0.770 483 HE21 GLN2072 1HE2 GLN2072 12.921 -8.060 0.721 484 HE22 GLN2072 2HE2 GLN2072 14.448 -8.191 -0.085 485 H ALA2073 H ALA2073 8.394 -9.618 -2.530 486 HA ALA2073 HA ALA2073 9.693 -8.444 -4.698 487 HB1 ALA2073 3HB ALA2073 8.045 -10.188 -4.988 488 HB2 ALA2073 1HB ALA2073 6.789 -9.202 -4.197 489 HB3 ALA2073 2HB ALA2073 7.432 -8.719 -5.786 490 H TYR2074 H TYR2074 7.230 -7.213 -2.380 491 HA TYR2074 HA TYR2074 7.152 -4.674 -3.792 492 HB2 TYR2074 1HB TYR2074 5.839 -5.935 -1.315 493 HB3 TYR2074 2HB TYR2074 5.479 -4.282 -1.825 494 HD1 TYR2074 1HD TYR2074 5.827 -7.515 -3.709 495 HD2 TYR2074 2HD TYR2074 3.325 -4.198 -2.684 496 HE1 TYR2074 1HE TYR2074 4.010 -8.397 -5.254 497 HE2 TYR2074 2HE TYR2074 1.518 -5.092 -4.232 498 HH TYR2074 HH TYR2074 1.906 -8.212 -5.844 499 H GLY2075 H GLY2075 8.825 -6.229 -1.149 500 HA2 GLY2075 2HA GLY2075 9.299 -4.467 0.773 501 HA3 GLY2075 3HA GLY2075 10.589 -5.393 0.032 502 H ARG2076 H ARG2076 10.838 -4.278 -2.516 503 HA ARG2076 HA ARG2076 12.184 -1.904 -1.854 504 HB2 ARG2076 1HB ARG2076 12.959 -3.494 -3.605 505 HB3 ARG2076 2HB ARG2076 11.542 -3.106 -4.596 506 HG2 ARG2076 1HG ARG2076 12.681 -0.612 -3.957 507 HG3 ARG2076 2HG ARG2076 14.074 -1.654 -4.296 508 HD2 ARG2076 1HD ARG2076 11.645 -1.422 -6.121 509 HD3 ARG2076 2HD ARG2076 13.101 -0.436 -6.321 510 HE ARG2076 HE ARG2076 13.949 -3.129 -6.181 511 HH11 ARG2076 2HH2 ARG2076 11.942 -1.147 -8.326 512 HH12 ARG2076 1HH2 ARG2076 12.289 -2.096 -9.732 513 H ASP2077 H ASP2077 9.172 -2.740 -3.666 514 HA ASP2077 HA ASP2077 8.621 -0.281 -4.699 515 HB2 ASP2077 1HB ASP2077 6.852 -2.516 -3.659 516 HB3 ASP2077 2HB ASP2077 6.147 -1.068 -4.395 517 HD2 ASP2077 HD ASP2077 6.230 -3.075 -7.208 518 H LEU2078 H LEU2078 7.129 -1.761 -1.709 519 HA LEU2078 HA LEU2078 5.932 0.529 -0.768 520 HB2 LEU2078 1HB LEU2078 6.924 -1.988 0.506 521 HB3 LEU2078 2HB LEU2078 6.242 -0.692 1.502 522 HG LEU2078 HG LEU2078 4.914 -2.466 -0.522 523 HD11 LEU2078 1HD1 LEU2078 3.262 -1.865 1.693 524 HD12 LEU2078 2HD1 LEU2078 4.107 -3.388 1.326 525 HD13 LEU2078 3HD1 LEU2078 4.898 -2.152 2.332 526 HD21 LEU2078 3HD2 LEU2078 2.889 -0.844 -0.159 527 HD22 LEU2078 1HD2 LEU2078 4.166 0.363 0.123 528 HD23 LEU2078 2HD2 LEU2078 4.098 -0.515 -1.424 529 H MET2079 H MET2079 9.322 -0.552 -0.575 530 HA MET2079 HA MET2079 10.151 1.098 1.458 531 HB2 MET2079 1HB MET2079 11.291 -0.521 -0.688 532 HB3 MET2079 2HB MET2079 12.238 0.967 -0.506 533 HG2 MET2079 1HG MET2079 12.941 0.402 1.635 534 HG3 MET2079 2HG MET2079 11.475 -0.510 2.002 535 HE1 MET2079 3HE MET2079 11.412 -2.497 2.371 536 HE2 MET2079 1HE MET2079 12.083 -3.881 1.476 537 HE3 MET2079 2HE MET2079 13.023 -3.130 2.787 538 H GLU2080 H GLU2080 9.955 1.715 -2.106 539 HA GLU2080 HA GLU2080 11.065 4.268 -1.931 540 HB2 GLU2080 1HB GLU2080 10.886 2.840 -3.996 541 HB3 GLU2080 2HB GLU2080 9.155 3.213 -4.059 542 HG2 GLU2080 1HG GLU2080 9.569 5.527 -4.455 543 HG3 GLU2080 2HG GLU2080 11.264 5.403 -3.961 544 HE2 GLU2080 HE GLU2080 12.241 4.816 -7.168 545 H ALA2081 H ALA2081 7.617 3.169 -2.334 546 HA ALA2081 HA ALA2081 6.479 5.691 -2.182 547 HB1 ALA2081 3HB ALA2081 5.157 3.210 -1.071 548 HB2 ALA2081 1HB ALA2081 4.445 4.533 -2.026 549 HB3 ALA2081 2HB ALA2081 5.513 3.343 -2.809 550 H GLN2082 H GLN2082 7.423 3.343 0.383 551 HA GLN2082 HA GLN2082 6.233 4.719 2.471 552 HB2 GLN2082 1HB GLN2082 6.975 2.413 2.690 553 HB3 GLN2082 2HB GLN2082 8.666 2.881 2.430 554 HG2 GLN2082 1HG GLN2082 8.871 3.185 4.651 555 HG3 GLN2082 2HG GLN2082 7.695 4.504 4.566 556 HE21 GLN2082 1HE2 GLN2082 5.829 4.285 5.562 557 HE22 GLN2082 2HE2 GLN2082 5.173 2.827 6.229 558 H GLU2083 H GLU2083 9.358 5.114 0.786 559 HA GLU2083 HA GLU2083 10.506 6.770 2.722 560 HB2 GLU2083 1HB GLU2083 12.271 6.419 1.391 561 HB3 GLU2083 2HB GLU2083 11.222 5.655 0.186 562 HG2 GLU2083 1HG GLU2083 10.779 7.819 -0.857 563 HG3 GLU2083 2HG GLU2083 11.670 8.667 0.416 564 HE2 GLU2083 HE GLU2083 14.782 7.610 -0.830 565 H TRP2084 H TRP2084 8.388 7.337 -0.110 566 HA TRP2084 HA TRP2084 8.682 10.177 -0.007 567 HB2 TRP2084 1HB TRP2084 6.746 8.356 -1.436 568 HB3 TRP2084 2HB TRP2084 6.754 10.113 -1.604 569 HD1 TRP2084 HD TRP2084 8.452 7.024 -2.944 570 HE1 TRP2084 1HE TRP2084 10.331 7.591 -4.710 571 HE3 TRP2084 3HE TRP2084 8.565 12.020 -2.003 572 HZ2 TRP2084 2HZ TRP2084 11.622 10.010 -5.496 573 HZ3 TRP2084 3HZ TRP2084 10.161 13.412 -3.315 574 HH2 TRP2084 HH TRP2084 11.656 12.484 -5.011 575 H CYS2085 H CYS2085 6.888 7.702 1.695 576 HA CYS2085 HA CYS2085 4.664 9.288 2.394 577 HB2 CYS2085 1HB CYS2085 4.282 7.011 2.565 578 HB3 CYS2085 2HB CYS2085 5.815 6.690 3.395 579 HG CYS2085 HG CYS2085 3.475 6.408 4.844 580 H ARG2086 H ARG2086 7.579 8.147 4.269 581 HA ARG2086 HA ARG2086 7.070 9.855 6.398 582 HB2 ARG2086 1HB ARG2086 9.132 9.079 7.283 583 HB3 ARG2086 2HB ARG2086 8.587 7.734 6.268 584 HG2 ARG2086 1HG ARG2086 10.002 9.231 4.455 585 HG3 ARG2086 2HG ARG2086 10.912 9.568 5.937 586 HD2 ARG2086 1HD ARG2086 10.754 6.938 6.256 587 HD3 ARG2086 2HD ARG2086 10.467 6.934 4.509 588 HE ARG2086 HE ARG2086 12.986 7.363 5.824 589 HH11 ARG2086 2HH2 ARG2086 11.103 8.551 3.069 590 HH12 ARG2086 1HH2 ARG2086 12.498 9.033 2.162 591 H LYS2087 H LYS2087 8.679 10.256 3.279 592 HA LYS2087 HA LYS2087 10.252 12.498 3.994 593 HB2 LYS2087 1HB LYS2087 10.914 11.205 2.130 594 HB3 LYS2087 2HB LYS2087 9.327 11.347 1.354 595 HG2 LYS2087 1HG LYS2087 10.424 13.978 1.944 596 HG3 LYS2087 2HG LYS2087 11.587 13.032 1.000 597 HD2 LYS2087 1HD LYS2087 10.310 13.152 -0.870 598 HD3 LYS2087 2HD LYS2087 8.821 12.766 0.009 599 HE2 LYS2087 1HE LYS2087 8.240 14.927 -0.344 600 HE3 LYS2087 2HE LYS2087 9.439 15.348 0.890 601 HZ1 LYS2087 2HZ LYS2087 11.068 15.652 -0.848 602 HZ3 LYS2087 1HZ LYS2087 9.754 16.516 -1.272 603 H TYR2088 H TYR2088 6.896 11.993 2.872 604 HA TYR2088 HA TYR2088 6.428 14.745 2.328 605 HB2 TYR2088 1HB TYR2088 4.996 13.141 1.271 606 HB3 TYR2088 2HB TYR2088 4.908 12.131 2.718 607 HD1 TYR2088 1HD TYR2088 3.605 15.180 1.071 608 HD2 TYR2088 2HD TYR2088 3.212 12.505 4.387 609 HE1 TYR2088 1HE TYR2088 1.353 16.209 1.643 610 HE2 TYR2088 2HE TYR2088 0.960 13.546 4.949 611 HH TYR2088 HH TYR2088 -0.423 15.172 4.529 612 H MET2089 H MET2089 5.709 12.525 5.098 613 HA MET2089 HA MET2089 4.297 14.415 6.555 614 HB2 MET2089 1HB MET2089 5.919 11.938 7.308 615 HB3 MET2089 2HB MET2089 4.970 12.831 8.510 616 HG2 MET2089 1HG MET2089 3.142 12.479 6.452 617 HG3 MET2089 2HG MET2089 4.075 10.983 6.368 618 HE1 MET2089 3HE MET2089 0.672 10.819 7.763 619 HE2 MET2089 1HE MET2089 0.801 12.198 8.879 620 HE3 MET2089 2HE MET2089 1.285 12.385 7.178 621 H LYS2090 H LYS2090 7.785 13.735 6.224 622 HA LYS2090 HA LYS2090 8.428 15.502 8.422 623 HB2 LYS2090 1HB LYS2090 9.606 13.264 7.447 624 HB3 LYS2090 2HB LYS2090 10.580 14.512 6.650 625 HG2 LYS2090 1HG LYS2090 9.947 14.726 9.598 626 HG3 LYS2090 2HG LYS2090 11.248 13.650 9.061 627 HD2 LYS2090 1HD LYS2090 12.631 15.387 8.582 628 HD3 LYS2090 2HD LYS2090 11.343 16.334 7.817 629 HE2 LYS2090 1HE LYS2090 11.274 17.639 9.655 630 HE3 LYS2090 2HE LYS2090 10.740 16.246 10.608 631 HZ1 LYS2090 2HZ LYS2090 12.739 17.015 11.595 632 HZ3 LYS2090 1HZ LYS2090 13.519 17.177 10.175 633 H SER2091 H SER2091 8.818 15.362 4.824 634 HA SER2091 HA SER2091 9.859 18.003 4.796 635 HB2 SER2091 1HB SER2091 10.352 16.076 3.153 636 HB3 SER2091 2HB SER2091 8.798 16.472 2.397 637 HG SER2091 HG SER2091 10.063 17.813 1.268 638 H GLY2092 H GLY2092 6.971 16.551 3.114 639 HA2 GLY2092 2HA GLY2092 4.773 17.332 3.385 640 HA3 GLY2092 3HA GLY2092 5.380 18.874 3.953 641 H ASN2093 H ASN2093 4.687 16.860 1.116 642 HA ASN2093 HA ASN2093 4.598 19.249 -0.455 643 HB2 ASN2093 1HB ASN2093 6.875 17.491 -0.583 644 HB3 ASN2093 2HB ASN2093 5.967 17.286 -2.089 645 HD21 ASN2093 1HD2 ASN2093 8.512 18.756 -0.970 646 HD22 ASN2093 2HD2 ASN2093 8.480 20.290 -1.772 647 H VAL2094 H VAL2094 2.858 19.030 -1.912 648 HA VAL2094 HA VAL2094 1.255 16.728 -1.768 649 HB VAL2094 HB VAL2094 1.291 19.276 -3.329 650 HG11 VAL2094 1HG1 VAL2094 -0.885 18.518 -4.408 651 HG12 VAL2094 2HG1 VAL2094 0.609 17.809 -5.067 652 HG13 VAL2094 3HG1 VAL2094 -0.419 16.858 -3.967 653 HG21 VAL2094 3HG2 VAL2094 0.355 19.387 -1.124 654 HG22 VAL2094 1HG2 VAL2094 -0.994 19.456 -2.284 655 HG23 VAL2094 2HG2 VAL2094 -0.645 17.944 -1.412 656 H LYS2095 H LYS2095 3.440 18.048 -4.346 657 HA LYS2095 HA LYS2095 2.988 16.158 -6.264 658 HB2 LYS2095 1HB LYS2095 4.511 18.305 -6.128 659 HB3 LYS2095 2HB LYS2095 5.784 17.118 -5.795 660 HG2 LYS2095 1HG LYS2095 4.891 15.855 -7.866 661 HG3 LYS2095 2HG LYS2095 3.991 17.333 -8.245 662 HD2 LYS2095 1HD LYS2095 5.856 18.072 -9.276 663 HD3 LYS2095 2HD LYS2095 6.605 18.222 -7.675 664 HE2 LYS2095 1HE LYS2095 7.740 16.187 -7.879 665 HE3 LYS2095 2HE LYS2095 6.585 15.527 -9.050 666 HZ1 LYS2095 2HZ LYS2095 7.645 16.600 -10.760 667 HZ3 LYS2095 1HZ LYS2095 8.938 16.480 -9.777 668 H ASP2096 H ASP2096 5.285 16.004 -3.469 669 HA ASP2096 HA ASP2096 6.302 13.521 -4.149 670 HB2 ASP2096 1HB ASP2096 7.559 13.863 -2.297 671 HB3 ASP2096 2HB ASP2096 6.734 15.424 -2.163 672 HD2 ASP2096 HD ASP2096 5.690 12.428 0.290 673 H LEU2097 H LEU2097 3.577 14.606 -2.019 674 HA LEU2097 HA LEU2097 2.917 12.180 -0.894 675 HB2 LEU2097 1HB LEU2097 1.958 14.085 -0.007 676 HB3 LEU2097 2HB LEU2097 1.362 14.655 -1.576 677 HG LEU2097 HG LEU2097 -0.427 13.116 -1.564 678 HD11 LEU2097 1HD1 LEU2097 -0.019 11.033 -0.894 679 HD12 LEU2097 2HD1 LEU2097 1.328 11.547 0.148 680 HD13 LEU2097 3HD1 LEU2097 -0.341 11.601 0.761 681 HD21 LEU2097 3HD2 LEU2097 -1.445 14.553 -0.206 682 HD22 LEU2097 1HD2 LEU2097 -1.062 13.434 1.126 683 HD23 LEU2097 2HD2 LEU2097 0.026 14.795 0.765 684 H THR2098 H THR2098 1.779 13.652 -4.006 685 HA THR2098 HA THR2098 0.089 11.534 -4.705 686 HB THR2098 HB THR2098 1.631 13.593 -6.371 687 HG1 THR2098 1HG THR2098 -1.136 13.373 -5.425 688 HG21 THR2098 3HG2 THR2098 -0.843 11.900 -7.014 689 HG22 THR2098 1HG2 THR2098 -0.266 13.271 -7.993 690 HG23 THR2098 2HG2 THR2098 0.730 11.802 -7.844 691 H GLN2099 H GLN2099 3.606 12.037 -5.178 692 HA GLN2099 HA GLN2099 4.012 10.025 -6.985 693 HB2 GLN2099 1HB GLN2099 5.585 11.733 -5.317 694 HB3 GLN2099 2HB GLN2099 6.223 10.090 -5.134 695 HG2 GLN2099 1HG GLN2099 6.931 9.989 -7.318 696 HG3 GLN2099 2HG GLN2099 5.570 10.946 -7.925 697 HE21 GLN2099 1HE2 GLN2099 7.443 11.825 -9.177 698 HE22 GLN2099 2HE2 GLN2099 8.292 13.189 -8.527 699 H ALA2100 H ALA2100 3.968 9.900 -3.367 700 HA ALA2100 HA ALA2100 4.624 7.187 -3.172 701 HB1 ALA2100 3HB ALA2100 4.538 9.132 -1.411 702 HB2 ALA2100 1HB ALA2100 2.848 8.620 -1.197 703 HB3 ALA2100 2HB ALA2100 4.171 7.470 -0.896 704 H TRP2101 H TRP2101 1.468 8.939 -3.388 705 HA TRP2101 HA TRP2101 -0.174 6.738 -3.008 706 HB2 TRP2101 1HB TRP2101 -0.421 9.472 -3.747 707 HB3 TRP2101 2HB TRP2101 -1.366 8.512 -4.889 708 HD1 TRP2101 HD TRP2101 -1.749 10.125 -1.613 709 HE1 TRP2101 1HE TRP2101 -3.827 9.268 -0.231 710 HE3 TRP2101 3HE TRP2101 -2.579 5.976 -4.435 711 HZ2 TRP2101 2HZ TRP2101 -5.546 7.001 -0.466 712 HZ3 TRP2101 3HZ TRP2101 -4.476 4.496 -3.791 713 HH2 TRP2101 HH TRP2101 -5.935 4.951 -1.882 714 H ASP2102 H ASP2102 1.752 7.871 -5.781 715 HA ASP2102 HA ASP2102 0.425 6.310 -7.689 716 HB2 ASP2102 1HB ASP2102 2.345 8.281 -7.719 717 HB3 ASP2102 2HB ASP2102 3.326 6.856 -8.097 718 HD2 ASP2102 HD ASP2102 0.673 8.244 -10.746 719 H LEU2103 H LEU2103 3.524 5.968 -5.812 720 HA LEU2103 HA LEU2103 4.318 3.534 -6.855 721 HB2 LEU2103 1HB LEU2103 4.753 4.708 -4.114 722 HB3 LEU2103 2HB LEU2103 5.653 3.338 -4.791 723 HG LEU2103 HG LEU2103 5.603 6.025 -6.156 724 HD11 LEU2103 1HD1 LEU2103 7.770 6.505 -4.987 725 HD12 LEU2103 2HD1 LEU2103 6.324 6.578 -3.951 726 HD13 LEU2103 3HD1 LEU2103 7.401 5.162 -3.881 727 HD21 LEU2103 3HD2 LEU2103 6.620 4.687 -7.660 728 HD22 LEU2103 1HD2 LEU2103 8.042 4.971 -6.627 729 HD23 LEU2103 2HD2 LEU2103 7.088 3.479 -6.441 730 H TYR2104 H TYR2104 2.271 4.260 -3.952 731 HA TYR2104 HA TYR2104 1.885 1.666 -3.117 732 HB2 TYR2104 1HB TYR2104 0.221 4.237 -3.213 733 HB3 TYR2104 2HB TYR2104 -0.408 2.805 -2.387 734 HD1 TYR2104 2HD TYR2104 2.177 1.818 -1.163 735 HD2 TYR2104 1HD TYR2104 0.487 5.739 -1.419 736 HE1 TYR2104 2HE TYR2104 3.433 2.505 0.939 737 HE2 TYR2104 1HE TYR2104 1.750 6.414 0.682 738 HH TYR2104 HH TYR2104 4.294 4.727 1.874 739 H TYR2105 H TYR2105 -0.229 3.621 -5.343 740 HA TYR2105 HA TYR2105 -2.126 1.736 -5.860 741 HB2 TYR2105 1HB TYR2105 -1.468 4.251 -6.685 742 HB3 TYR2105 2HB TYR2105 -0.878 3.374 -8.101 743 HD1 TYR2105 2HD TYR2105 -3.077 1.189 -8.005 744 HD2 TYR2105 1HD TYR2105 -3.213 5.459 -7.790 745 HE1 TYR2105 2HE TYR2105 -5.437 1.168 -8.949 746 HE2 TYR2105 1HE TYR2105 -5.572 5.424 -8.736 747 HH TYR2105 HH TYR2105 -6.829 3.042 -10.353 748 H HIS2106 H HIS2106 1.160 2.047 -7.303 749 HA HIS2106 HA HIS2106 0.810 0.198 -9.334 750 HB2 HIS2106 1HB HIS2106 2.954 1.670 -8.098 751 HB3 HIS2106 2HB HIS2106 3.484 0.018 -8.442 752 HD1 HIS2106 1HD HIS2106 2.054 -0.499 -11.123 753 HD2 HIS2106 2HD HIS2106 4.014 3.087 -10.175 754 HE1 HIS2106 1HE HIS2106 2.650 0.600 -13.347 755 HE2 HIS2106 2HE HIS2106 3.859 2.804 -12.708 756 H VAL2107 H VAL2107 1.926 -0.217 -5.914 757 HA VAL2107 HA VAL2107 2.275 -3.017 -6.205 758 HB VAL2107 HB VAL2107 3.112 -2.914 -4.125 759 HG11 VAL2107 1HG1 VAL2107 2.913 0.088 -4.281 760 HG12 VAL2107 2HG1 VAL2107 4.272 -0.931 -3.753 761 HG13 VAL2107 3HG1 VAL2107 3.866 -0.817 -5.482 762 HG21 VAL2107 3HG2 VAL2107 2.128 -1.742 -2.227 763 HG22 VAL2107 1HG2 VAL2107 0.972 -0.921 -3.301 764 HG23 VAL2107 2HG2 VAL2107 0.881 -2.684 -3.078 765 H PHE2108 H PHE2108 -0.298 -0.895 -4.791 766 HA PHE2108 HA PHE2108 -1.935 -2.956 -3.915 767 HB2 PHE2108 1HB PHE2108 -2.130 -0.054 -4.740 768 HB3 PHE2108 2HB PHE2108 -3.663 -0.919 -4.575 769 HD1 PHE2108 2HD PHE2108 -0.733 0.391 -2.814 770 HD2 PHE2108 1HD PHE2108 -4.434 -1.644 -2.393 771 HE1 PHE2108 2HE PHE2108 -0.672 0.791 -0.336 772 HE2 PHE2108 1HE PHE2108 -4.373 -1.242 0.084 773 HZ PHE2108 HZ PHE2108 -2.494 -0.031 1.083 774 H ARG2109 H ARG2109 -1.429 -1.547 -7.147 775 HA ARG2109 HA ARG2109 -3.805 -2.679 -8.187 776 HB2 ARG2109 1HB ARG2109 -2.692 -0.631 -9.119 777 HB3 ARG2109 2HB ARG2109 -1.334 -1.632 -9.661 778 HG2 ARG2109 1HG ARG2109 -2.604 -2.679 -11.318 779 HG3 ARG2109 2HG ARG2109 -4.144 -2.379 -10.492 780 HD2 ARG2109 1HD ARG2109 -4.304 -0.781 -12.150 781 HD3 ARG2109 2HD ARG2109 -3.428 0.186 -10.953 782 HE ARG2109 HE ARG2109 -1.794 -1.381 -12.868 783 HH11 ARG2109 2HH2 ARG2109 -3.142 1.772 -11.978 784 HH12 ARG2109 1HH2 ARG2109 -2.040 2.664 -12.974 785 H ARG2110 H ARG2110 -0.353 -3.573 -7.918 786 HA ARG2110 HA ARG2110 -0.364 -5.592 -9.803 787 HB2 ARG2110 1HB ARG2110 1.477 -4.447 -8.052 788 HB3 ARG2110 2HB ARG2110 1.354 -6.108 -7.444 789 HG2 ARG2110 1HG ARG2110 2.222 -5.120 -10.169 790 HG3 ARG2110 2HG ARG2110 3.074 -6.226 -9.074 791 HD2 ARG2110 1HD ARG2110 0.657 -7.534 -9.587 792 HD3 ARG2110 2HD ARG2110 1.057 -6.802 -11.150 793 HE ARG2110 HE ARG2110 2.430 -9.009 -9.853 794 HH11 ARG2110 2HH2 ARG2110 2.943 -6.253 -12.020 795 HH12 ARG2110 1HH2 ARG2110 4.332 -6.954 -12.783 796 H ILE2111 H ILE2111 -0.816 -5.674 -6.195 797 HA ILE2111 HA ILE2111 -1.083 -8.332 -5.790 798 HB ILE2111 HB ILE2111 -2.753 -7.631 -3.985 799 HG12 ILE2111 1HG1 ILE2111 -1.974 -4.881 -4.978 800 HG13 ILE2111 2HG1 ILE2111 -3.583 -5.608 -5.127 801 HG21 ILE2111 1HG2 ILE2111 -0.920 -7.587 -2.740 802 HG22 ILE2111 2HG2 ILE2111 0.053 -7.407 -4.220 803 HG23 ILE2111 3HG2 ILE2111 -0.504 -5.963 -3.342 804 HD11 ILE2111 3HD1 ILE2111 -3.214 -5.934 -2.464 805 HD12 ILE2111 1HD1 ILE2111 -2.177 -4.510 -2.716 806 HD13 ILE2111 2HD1 ILE2111 -3.900 -4.444 -3.154 807 H SER2112 H SER2112 -3.389 -6.110 -7.363 808 HA SER2112 HA SER2112 -5.445 -8.074 -7.382 809 HB2 SER2112 1HB SER2112 -5.145 -5.262 -8.019 810 HB3 SER2112 2HB SER2112 -5.991 -6.084 -9.341 811 HG SER2112 HG SER2112 -7.715 -6.351 -8.083 812 H LYS2113 H LYS2113 -3.280 -6.523 -9.861 813 HA LYS2113 HA LYS2113 -4.063 -7.756 -12.105 814 HB2 LYS2113 1HB LYS2113 -1.699 -6.476 -11.132 815 HB3 LYS2113 2HB LYS2113 -1.222 -7.868 -12.121 816 HG2 LYS2113 1HG LYS2113 -1.456 -6.232 -13.752 817 HG3 LYS2113 2HG LYS2113 -3.088 -6.927 -13.771 818 HD2 LYS2113 1HD LYS2113 -3.866 -5.139 -12.255 819 HD3 LYS2113 2HD LYS2113 -2.232 -4.454 -12.193 820 HE2 LYS2113 1HE LYS2113 -2.336 -3.698 -14.412 821 HE3 LYS2113 2HE LYS2113 -3.596 -4.856 -14.867 822 HZ1 LYS2113 2HZ LYS2113 -4.758 -3.337 -12.922 823 HZ3 LYS2113 1HZ LYS2113 -4.988 -3.131 -14.520 824 H GLN2114 H GLN2114 -4.653 -9.819 -12.487 825 HA GLN2114 HA GLN2114 -4.652 -11.990 -12.512 826 HB2 GLN2114 1HB GLN2114 -2.109 -11.319 -13.186 827 HB3 GLN2114 2HB GLN2114 -1.778 -12.348 -11.781 828 HG2 GLN2114 1HG GLN2114 -3.594 -13.909 -13.023 829 HG3 GLN2114 2HG GLN2114 -2.977 -13.051 -14.444 830 HE21 GLN2114 1HE2 GLN2114 -2.758 -15.861 -13.322 831 HE22 GLN2114 2HE2 GLN2114 -1.068 -16.241 -13.363 Start of MODEL 13 1 H MET2014 H MET2014 -9.912 -15.027 -14.949 2 HA MET2014 HA MET2014 -11.485 -12.875 -15.383 3 HB2 MET2014 1HB MET2014 -11.464 -15.246 -13.577 4 HB3 MET2014 2HB MET2014 -12.534 -13.943 -13.035 5 HG2 MET2014 1HG MET2014 -14.043 -14.913 -14.453 6 HG3 MET2014 2HG MET2014 -13.151 -14.067 -15.722 7 HE1 MET2014 3HE MET2014 -10.952 -15.107 -16.780 8 HE2 MET2014 1HE MET2014 -11.227 -16.683 -17.559 9 HE3 MET2014 2HE MET2014 -12.403 -15.366 -17.778 10 H GLU2015 H GLU2015 -12.044 -10.960 -14.304 11 HA GLU2015 HA GLU2015 -10.132 -10.160 -12.308 12 HB2 GLU2015 1HB GLU2015 -11.038 -7.905 -12.657 13 HB3 GLU2015 2HB GLU2015 -10.636 -8.653 -14.213 14 HG2 GLU2015 1HG GLU2015 -13.232 -9.444 -13.951 15 HG3 GLU2015 2HG GLU2015 -13.296 -7.915 -13.064 16 HE2 GLU2015 HE GLU2015 -13.258 -7.888 -16.964 17 H LEU2016 H LEU2016 -13.149 -11.687 -12.381 18 HA LEU2016 HA LEU2016 -14.127 -10.370 -9.978 19 HB2 LEU2016 1HB LEU2016 -15.249 -11.972 -12.152 20 HB3 LEU2016 2HB LEU2016 -15.879 -12.389 -10.548 21 HG LEU2016 HG LEU2016 -17.308 -10.774 -11.672 22 HD11 LEU2016 1HD1 LEU2016 -15.925 -10.156 -9.138 23 HD12 LEU2016 2HD1 LEU2016 -16.813 -8.802 -9.874 24 HD13 LEU2016 3HD1 LEU2016 -17.661 -10.322 -9.498 25 HD21 LEU2016 3HD2 LEU2016 -16.254 -8.365 -11.859 26 HD22 LEU2016 1HD2 LEU2016 -14.740 -9.282 -12.041 27 HD23 LEU2016 2HD2 LEU2016 -16.085 -9.551 -13.175 28 H ILE2017 H ILE2017 -15.132 -12.098 -8.327 29 HA ILE2017 HA ILE2017 -14.704 -13.599 -6.767 30 HB ILE2017 HB ILE2017 -13.221 -14.990 -8.997 31 HG12 ILE2017 1HG1 ILE2017 -15.530 -16.382 -8.475 32 HG13 ILE2017 2HG1 ILE2017 -16.054 -14.700 -8.289 33 HG21 ILE2017 1HG2 ILE2017 -13.849 -15.840 -6.181 34 HG22 ILE2017 2HG2 ILE2017 -13.741 -17.035 -7.495 35 HG23 ILE2017 3HG2 ILE2017 -12.340 -16.009 -7.107 36 HD11 ILE2017 3HD1 ILE2017 -16.333 -15.338 -10.619 37 HD12 ILE2017 1HD1 ILE2017 -14.964 -14.204 -10.526 38 HD13 ILE2017 2HD1 ILE2017 -14.666 -15.951 -10.701 39 H ARG2018 H ARG2018 -13.284 -13.814 -5.031 40 HA ARG2018 HA ARG2018 -10.522 -13.566 -5.386 41 HB2 ARG2018 1HB ARG2018 -12.089 -11.102 -4.889 42 HB3 ARG2018 2HB ARG2018 -10.769 -11.337 -3.730 43 HG2 ARG2018 1HG ARG2018 -9.935 -11.923 -6.476 44 HG3 ARG2018 2HG ARG2018 -10.566 -10.274 -6.332 45 HD2 ARG2018 1HD ARG2018 -8.310 -9.973 -5.792 46 HD3 ARG2018 2HD ARG2018 -9.017 -10.180 -4.183 47 HE ARG2018 HE ARG2018 -8.013 -12.326 -4.035 48 HH11 ARG2018 2HH2 ARG2018 -7.510 -10.934 -7.255 49 HH12 ARG2018 1HH2 ARG2018 -6.310 -12.096 -7.707 50 H VAL2019 H VAL2019 -9.422 -14.192 -3.447 51 HA VAL2019 HA VAL2019 -10.966 -15.570 -1.567 52 HB VAL2019 HB VAL2019 -8.085 -14.670 -1.633 53 HG11 VAL2019 1HG1 VAL2019 -7.594 -15.960 0.276 54 HG12 VAL2019 2HG1 VAL2019 -9.050 -15.037 0.718 55 HG13 VAL2019 3HG1 VAL2019 -9.186 -16.753 0.262 56 HG21 VAL2019 3HG2 VAL2019 -8.739 -16.289 -3.359 57 HG22 VAL2019 1HG2 VAL2019 -7.641 -17.027 -2.168 58 HG23 VAL2019 2HG2 VAL2019 -9.384 -17.376 -2.105 59 HA PRO2020 HA PRO2020 -11.997 -12.358 1.151 60 HB2 PRO2020 1HB PRO2020 -12.815 -13.836 3.298 61 HB3 PRO2020 2HB PRO2020 -13.845 -13.505 1.906 62 HG2 PRO2020 1HG PRO2020 -12.389 -15.960 2.651 63 HG3 PRO2020 2HG PRO2020 -13.786 -15.781 1.530 64 HD2 PRO2020 1HD PRO2020 -11.028 -16.194 0.884 65 HD3 PRO2020 2HD PRO2020 -12.338 -15.862 -0.255 66 H ILE2021 H ILE2021 -11.082 -14.555 3.669 67 HA ILE2021 HA ILE2021 -9.451 -12.625 4.872 68 HB ILE2021 HB ILE2021 -8.748 -14.527 6.318 69 HG12 ILE2021 1HG1 ILE2021 -10.542 -16.526 5.712 70 HG13 ILE2021 2HG1 ILE2021 -9.922 -16.064 4.116 71 HG21 ILE2021 1HG2 ILE2021 -10.646 -14.361 7.540 72 HG22 ILE2021 2HG2 ILE2021 -11.024 -13.105 6.335 73 HG23 ILE2021 3HG2 ILE2021 -11.706 -14.739 6.161 74 HD11 ILE2021 3HD1 ILE2021 -8.145 -17.394 4.608 75 HD12 ILE2021 1HD1 ILE2021 -7.632 -16.100 5.720 76 HD13 ILE2021 2HD1 ILE2021 -8.586 -17.473 6.331 77 H LEU2022 H LEU2022 -8.066 -11.874 3.132 78 HA LEU2022 HA LEU2022 -5.671 -13.495 2.980 79 HB2 LEU2022 1HB LEU2022 -7.470 -13.763 0.979 80 HB3 LEU2022 2HB LEU2022 -6.493 -12.416 0.365 81 HG LEU2022 HG LEU2022 -5.849 -14.767 -0.358 82 HD11 LEU2022 1HD1 LEU2022 -3.807 -13.977 -0.822 83 HD12 LEU2022 2HD1 LEU2022 -4.354 -12.502 0.010 84 HD13 LEU2022 3HD1 LEU2022 -3.405 -13.721 0.894 85 HD21 LEU2022 3HD2 LEU2022 -4.854 -16.278 1.072 86 HD22 LEU2022 1HD2 LEU2022 -4.444 -15.036 2.279 87 HD23 LEU2022 2HD2 LEU2022 -6.127 -15.587 2.106 88 H TRP2023 H TRP2023 -3.780 -12.224 2.361 89 HA TRP2023 HA TRP2023 -3.694 -9.753 3.548 90 HB2 TRP2023 1HB TRP2023 -1.967 -11.298 1.707 91 HB3 TRP2023 2HB TRP2023 -1.647 -9.566 1.811 92 HD1 TRP2023 HD TRP2023 -2.846 -11.164 5.044 93 HE1 TRP2023 1HE TRP2023 -0.906 -11.381 6.819 94 HE3 TRP2023 3HE TRP2023 0.923 -9.955 1.851 95 HZ2 TRP2023 2HZ TRP2023 1.923 -11.028 6.693 96 HZ3 TRP2023 3HZ TRP2023 3.243 -9.914 2.759 97 HH2 TRP2023 HH TRP2023 3.773 -10.423 5.089 98 H HIS2024 H HIS2024 -3.916 -10.567 0.005 99 HA HIS2024 HA HIS2024 -4.033 -8.052 -0.991 100 HB2 HIS2024 1HB HIS2024 -5.829 -10.222 -2.041 101 HB3 HIS2024 2HB HIS2024 -4.939 -8.985 -2.939 102 HD1 HIS2024 1HD HIS2024 -4.856 -12.321 -3.046 103 HD2 HIS2024 2HD HIS2024 -1.916 -9.640 -1.718 104 HE1 HIS2024 1HE HIS2024 -2.629 -13.555 -3.225 105 HE2 HIS2024 2HE HIS2024 -0.852 -11.862 -2.391 106 H GLU2025 H GLU2025 -6.353 -9.666 1.065 107 HA GLU2025 HA GLU2025 -8.575 -8.132 0.266 108 HB2 GLU2025 1HB GLU2025 -8.454 -10.402 1.549 109 HB3 GLU2025 2HB GLU2025 -8.280 -9.402 3.001 110 HG2 GLU2025 1HG GLU2025 -10.650 -10.030 2.536 111 HG3 GLU2025 2HG GLU2025 -10.413 -8.275 2.511 112 HE2 GLU2025 HE GLU2025 -11.508 -8.021 -0.708 113 H MET2026 H MET2026 -6.001 -7.822 2.747 114 HA MET2026 HA MET2026 -7.238 -5.657 4.052 115 HB2 MET2026 1HB MET2026 -5.245 -5.622 5.359 116 HB3 MET2026 2HB MET2026 -5.364 -7.317 4.860 117 HG2 MET2026 1HG MET2026 -3.165 -6.937 4.267 118 HG3 MET2026 2HG MET2026 -3.918 -6.371 2.774 119 HE1 MET2026 3HE MET2026 -1.259 -5.884 3.534 120 HE2 MET2026 1HE MET2026 -0.876 -4.145 3.552 121 HE3 MET2026 2HE MET2026 -1.019 -5.040 5.084 122 H TRP2027 H TRP2027 -5.061 -6.014 1.264 123 HA TRP2027 HA TRP2027 -4.175 -3.329 1.217 124 HB2 TRP2027 1HB TRP2027 -4.251 -5.535 -0.831 125 HB3 TRP2027 2HB TRP2027 -3.605 -3.931 -1.181 126 HD1 TRP2027 HD TRP2027 -2.905 -6.885 1.270 127 HE1 TRP2027 1HE TRP2027 -0.348 -6.968 1.916 128 HE3 TRP2027 3HE TRP2027 -1.603 -2.638 -1.205 129 HZ2 TRP2027 2HZ TRP2027 1.883 -5.286 1.332 130 HZ3 TRP2027 3HZ TRP2027 0.786 -1.928 -1.116 131 HH2 TRP2027 HH TRP2027 2.503 -3.177 0.097 132 H HIS2028 H HIS2028 -6.763 -5.199 -0.517 133 HA HIS2028 HA HIS2028 -7.716 -3.095 -2.024 134 HB2 HIS2028 1HB HIS2028 -8.731 -5.721 -1.098 135 HB3 HIS2028 2HB HIS2028 -9.947 -4.569 -1.663 136 HD1 HIS2028 1HD HIS2028 -9.751 -3.793 -4.203 137 HD2 HIS2028 2HD HIS2028 -7.172 -6.902 -3.069 138 HE1 HIS2028 1HE HIS2028 -8.878 -4.824 -6.368 139 HE2 HIS2028 2HE HIS2028 -7.295 -6.735 -5.615 140 H GLU2029 H GLU2029 -8.839 -4.295 1.215 141 HA GLU2029 HA GLU2029 -10.730 -2.270 1.498 142 HB2 GLU2029 1HB GLU2029 -9.328 -3.776 3.734 143 HB3 GLU2029 2HB GLU2029 -10.944 -3.050 3.785 144 HG2 GLU2029 1HG GLU2029 -10.629 -4.933 1.554 145 HG3 GLU2029 2HG GLU2029 -10.320 -5.707 3.116 146 HE2 GLU2029 HE GLU2029 -13.925 -5.649 2.226 147 H GLY2030 H GLY2030 -7.268 -2.563 2.393 148 HA2 GLY2030 2HA GLY2030 -7.006 -0.408 4.108 149 HA3 GLY2030 3HA GLY2030 -5.762 -1.022 3.037 150 H LEU2031 H LEU2031 -6.185 -0.393 0.561 151 HA LEU2031 HA LEU2031 -5.952 2.370 0.414 152 HB2 LEU2031 1HB LEU2031 -6.145 0.096 -1.454 153 HB3 LEU2031 2HB LEU2031 -6.559 1.687 -2.123 154 HG LEU2031 HG LEU2031 -3.941 0.699 -1.007 155 HD11 LEU2031 1HD1 LEU2031 -4.559 2.191 -3.567 156 HD12 LEU2031 2HD1 LEU2031 -3.042 1.374 -3.115 157 HD13 LEU2031 3HD1 LEU2031 -4.508 0.417 -3.427 158 HD21 LEU2031 3HD2 LEU2031 -5.008 3.459 -0.917 159 HD22 LEU2031 1HD2 LEU2031 -3.748 2.674 0.065 160 HD23 LEU2031 2HD2 LEU2031 -3.359 3.279 -1.563 161 H GLU2032 H GLU2032 -8.769 0.213 0.307 162 HA GLU2032 HA GLU2032 -10.553 1.848 -0.949 163 HB2 GLU2032 1HB GLU2032 -11.842 0.075 -0.493 164 HB3 GLU2032 2HB GLU2032 -10.615 -0.545 0.626 165 HG2 GLU2032 1HG GLU2032 -11.593 0.771 2.455 166 HG3 GLU2032 2HG GLU2032 -12.768 1.501 1.349 167 HE2 GLU2032 HE GLU2032 -13.899 -1.632 3.160 168 H GLU2033 H GLU2033 -9.707 1.693 2.577 169 HA GLU2033 HA GLU2033 -11.458 3.818 3.198 170 HB2 GLU2033 1HB GLU2033 -10.918 2.140 4.865 171 HB3 GLU2033 2HB GLU2033 -9.188 2.515 4.762 172 HG2 GLU2033 1HG GLU2033 -9.399 4.267 6.180 173 HG3 GLU2033 2HG GLU2033 -10.813 4.901 5.325 174 HE2 GLU2033 HE GLU2033 -12.954 3.743 7.711 175 H ALA2034 H ALA2034 -7.892 3.478 2.708 176 HA ALA2034 HA ALA2034 -7.161 6.047 3.414 177 HB1 ALA2034 3HB ALA2034 -5.331 4.707 3.101 178 HB2 ALA2034 1HB ALA2034 -6.070 3.828 1.741 179 HB3 ALA2034 2HB ALA2034 -5.367 5.441 1.482 180 H SER2035 H SER2035 -8.193 4.714 0.202 181 HA SER2035 HA SER2035 -7.876 7.082 -1.172 182 HB2 SER2035 1HB SER2035 -9.089 6.044 -2.928 183 HB3 SER2035 2HB SER2035 -8.289 4.710 -2.079 184 HG SER2035 HG SER2035 -10.519 4.227 -2.540 185 H ARG2036 H ARG2036 -10.682 5.703 0.636 186 HA ARG2036 HA ARG2036 -12.559 7.524 -0.131 187 HB2 ARG2036 1HB ARG2036 -12.624 5.377 1.441 188 HB3 ARG2036 2HB ARG2036 -12.477 6.570 2.742 189 HG2 ARG2036 1HG ARG2036 -14.432 7.719 1.209 190 HG3 ARG2036 2HG ARG2036 -14.758 6.005 0.904 191 HD2 ARG2036 1HD ARG2036 -14.431 5.913 3.589 192 HD3 ARG2036 2HD ARG2036 -14.989 7.586 3.447 193 HE ARG2036 HE ARG2036 -16.548 5.148 2.939 194 HH11 ARG2036 2HH2 ARG2036 -16.330 8.635 2.353 195 HH12 ARG2036 1HH2 ARG2036 -18.020 8.809 2.013 196 H LEU2037 H LEU2037 -9.979 7.730 2.355 197 HA LEU2037 HA LEU2037 -10.950 10.134 3.511 198 HB2 LEU2037 1HB LEU2037 -8.250 8.802 3.608 199 HB3 LEU2037 2HB LEU2037 -8.750 10.172 4.616 200 HG LEU2037 HG LEU2037 -10.508 7.795 4.724 201 HD11 LEU2037 1HD1 LEU2037 -9.002 6.237 5.181 202 HD12 LEU2037 2HD1 LEU2037 -7.689 7.406 4.898 203 HD13 LEU2037 3HD1 LEU2037 -8.383 7.223 6.528 204 HD21 LEU2037 3HD2 LEU2037 -9.543 8.663 7.265 205 HD22 LEU2037 1HD2 LEU2037 -9.920 10.102 6.284 206 HD23 LEU2037 2HD2 LEU2037 -11.164 8.857 6.554 207 H TYR2038 H TYR2038 -8.786 9.267 0.812 208 HA TYR2038 HA TYR2038 -7.794 11.929 0.501 209 HB2 TYR2038 1HB TYR2038 -6.643 9.779 -0.180 210 HB3 TYR2038 2HB TYR2038 -7.959 9.438 -1.309 211 HD1 TYR2038 1HD TYR2038 -5.303 11.970 -0.561 212 HD2 TYR2038 2HD TYR2038 -7.784 10.147 -3.533 213 HE1 TYR2038 1HE TYR2038 -4.047 13.221 -2.387 214 HE2 TYR2038 2HE TYR2038 -6.518 11.403 -5.348 215 HH TYR2038 HH TYR2038 -4.092 12.378 -5.503 216 H PHE2039 H PHE2039 -10.108 9.827 -1.359 217 HA PHE2039 HA PHE2039 -10.837 11.988 -3.060 218 HB2 PHE2039 1HB PHE2039 -11.911 9.197 -2.389 219 HB3 PHE2039 2HB PHE2039 -12.675 10.202 -3.624 220 HD1 PHE2039 2HD PHE2039 -11.138 11.004 -5.548 221 HD2 PHE2039 1HD PHE2039 -10.169 7.786 -2.957 222 HE1 PHE2039 2HE PHE2039 -9.513 10.126 -7.248 223 HE2 PHE2039 1HE PHE2039 -8.542 6.909 -4.655 224 HZ PHE2039 HZ PHE2039 -8.235 8.089 -6.781 225 H GLY2040 H GLY2040 -12.346 10.293 -0.240 226 HA2 GLY2040 2HA GLY2040 -14.793 11.658 -0.286 227 HA3 GLY2040 3HA GLY2040 -14.061 10.864 1.094 228 H GLU2041 H GLU2041 -11.781 12.263 1.669 229 HA GLU2041 HA GLU2041 -12.653 15.033 1.819 230 HB2 GLU2041 1HB GLU2041 -11.664 15.031 4.190 231 HB3 GLU2041 2HB GLU2041 -13.226 14.223 3.983 232 HG2 GLU2041 1HG GLU2041 -11.741 12.080 3.581 233 HG3 GLU2041 2HG GLU2041 -10.483 13.015 4.404 234 HE2 GLU2041 HE GLU2041 -12.381 13.105 7.411 235 H ARG2042 H ARG2042 -10.488 16.127 3.201 236 HA ARG2042 HA ARG2042 -8.337 15.463 1.364 237 HB2 ARG2042 1HB ARG2042 -9.558 17.917 1.952 238 HB3 ARG2042 2HB ARG2042 -8.037 17.991 2.858 239 HG2 ARG2042 1HG ARG2042 -7.674 18.901 0.635 240 HG3 ARG2042 2HG ARG2042 -6.821 17.350 0.739 241 HD2 ARG2042 1HD ARG2042 -7.951 16.682 -1.098 242 HD3 ARG2042 2HD ARG2042 -9.450 16.738 -0.162 243 HE ARG2042 HE ARG2042 -8.521 19.320 -1.254 244 HH11 ARG2042 2HH2 ARG2042 -10.619 16.503 -1.719 245 HH12 ARG2042 1HH2 ARG2042 -11.659 17.308 -2.846 246 H ASN2043 H ASN2043 -8.920 13.997 3.873 247 HA ASN2043 HA ASN2043 -6.771 14.931 5.584 248 HB2 ASN2043 1HB ASN2043 -9.323 13.932 6.141 249 HB3 ASN2043 2HB ASN2043 -8.285 12.532 6.457 250 HD21 ASN2043 1HD2 ASN2043 -8.150 12.421 8.580 251 HD22 ASN2043 2HD2 ASN2043 -7.649 13.686 9.653 252 H VAL2044 H VAL2044 -4.974 14.129 4.275 253 HA VAL2044 HA VAL2044 -4.930 11.490 3.271 254 HB VAL2044 HB VAL2044 -2.943 13.705 3.653 255 HG11 VAL2044 1HG1 VAL2044 -2.348 10.821 3.225 256 HG12 VAL2044 2HG1 VAL2044 -1.487 11.978 2.184 257 HG13 VAL2044 3HG1 VAL2044 -1.356 12.105 3.955 258 HG21 VAL2044 3HG2 VAL2044 -4.761 13.069 1.655 259 HG22 VAL2044 1HG2 VAL2044 -3.366 14.165 1.500 260 HG23 VAL2044 2HG2 VAL2044 -3.215 12.457 1.020 261 H LYS2045 H LYS2045 -4.403 12.914 6.416 262 HA LYS2045 HA LYS2045 -2.547 11.204 7.507 263 HB2 LYS2045 1HB LYS2045 -3.975 11.672 9.651 264 HB3 LYS2045 2HB LYS2045 -3.073 12.980 8.864 265 HG2 LYS2045 1HG LYS2045 -5.816 12.523 7.818 266 HG3 LYS2045 2HG LYS2045 -5.752 13.085 9.499 267 HD2 LYS2045 1HD LYS2045 -3.904 14.533 7.723 268 HD3 LYS2045 2HD LYS2045 -5.594 14.692 7.217 269 HE2 LYS2045 1HE LYS2045 -6.154 15.337 9.603 270 HE3 LYS2045 2HE LYS2045 -4.420 15.353 9.957 271 HZ1 LYS2045 2HZ LYS2045 -5.976 17.340 8.659 272 HZ3 LYS2045 1HZ LYS2045 -4.762 16.882 7.673 273 H GLY2046 H GLY2046 -6.098 10.773 7.047 274 HA2 GLY2046 2HA GLY2046 -6.473 8.429 8.448 275 HA3 GLY2046 3HA GLY2046 -7.355 8.909 7.011 276 H MET2047 H MET2047 -5.615 8.795 4.926 277 HA MET2047 HA MET2047 -5.450 6.124 4.390 278 HB2 MET2047 1HB MET2047 -5.412 7.698 2.580 279 HB3 MET2047 2HB MET2047 -4.048 8.594 3.269 280 HG2 MET2047 1HG MET2047 -3.696 5.689 2.497 281 HG3 MET2047 2HG MET2047 -3.674 6.923 1.232 282 HE1 MET2047 3HE MET2047 -1.251 8.722 1.041 283 HE2 MET2047 1HE MET2047 -2.696 9.215 1.954 284 HE3 MET2047 2HE MET2047 -1.079 9.399 2.677 285 H PHE2048 H PHE2048 -2.838 8.393 5.475 286 HA PHE2048 HA PHE2048 -0.770 6.542 5.389 287 HB2 PHE2048 1HB PHE2048 -1.481 9.102 6.861 288 HB3 PHE2048 2HB PHE2048 -0.024 8.244 7.372 289 HD1 PHE2048 2HD PHE2048 0.943 7.276 4.723 290 HD2 PHE2048 1HD PHE2048 -0.636 11.038 5.887 291 HE1 PHE2048 2HE PHE2048 2.224 8.387 2.872 292 HE2 PHE2048 1HE PHE2048 0.646 12.149 4.037 293 HZ PHE2048 HZ PHE2048 2.062 10.809 2.551 294 H GLU2049 H GLU2049 -3.201 7.300 7.930 295 HA GLU2049 HA GLU2049 -1.900 5.659 9.838 296 HB2 GLU2049 1HB GLU2049 -4.746 6.738 9.821 297 HB3 GLU2049 2HB GLU2049 -3.877 6.115 11.236 298 HG2 GLU2049 1HG GLU2049 -2.475 8.260 9.725 299 HG3 GLU2049 2HG GLU2049 -3.983 8.769 10.502 300 HE2 GLU2049 HE GLU2049 -0.860 8.673 12.687 301 H VAL2050 H VAL2050 -3.837 5.060 7.075 302 HA VAL2050 HA VAL2050 -5.125 2.711 8.138 303 HB VAL2050 HB VAL2050 -5.014 4.097 5.469 304 HG11 VAL2050 1HG1 VAL2050 -6.487 1.503 6.030 305 HG12 VAL2050 2HG1 VAL2050 -6.439 2.409 4.499 306 HG13 VAL2050 3HG1 VAL2050 -4.966 1.622 5.113 307 HG21 VAL2050 3HG2 VAL2050 -7.034 4.941 6.005 308 HG22 VAL2050 1HG2 VAL2050 -7.595 3.413 6.725 309 HG23 VAL2050 2HG2 VAL2050 -6.581 4.526 7.675 310 H LEU2051 H LEU2051 -2.408 3.561 5.915 311 HA LEU2051 HA LEU2051 -1.793 0.806 5.453 312 HB2 LEU2051 1HB LEU2051 -0.302 3.348 4.825 313 HB3 LEU2051 2HB LEU2051 0.155 1.731 4.260 314 HG LEU2051 HG LEU2051 -1.325 1.783 2.580 315 HD11 LEU2051 1HD1 LEU2051 -3.378 3.274 4.228 316 HD12 LEU2051 2HD1 LEU2051 -3.634 2.330 2.740 317 HD13 LEU2051 3HD1 LEU2051 -3.185 1.505 4.252 318 HD21 LEU2051 3HD2 LEU2051 -2.112 4.587 2.803 319 HD22 LEU2051 1HD2 LEU2051 -0.367 4.332 3.043 320 HD23 LEU2051 2HD2 LEU2051 -1.154 3.754 1.554 321 H GLU2052 H GLU2052 -0.472 3.508 7.452 322 HA GLU2052 HA GLU2052 1.778 2.564 8.382 323 HB2 GLU2052 1HB GLU2052 -0.341 4.229 9.431 324 HB3 GLU2052 2HB GLU2052 0.393 3.312 10.758 325 HG2 GLU2052 1HG GLU2052 2.004 4.860 8.691 326 HG3 GLU2052 2HG GLU2052 1.482 5.568 10.226 327 HE2 GLU2052 HE GLU2052 3.731 3.678 12.098 328 HA PRO2053 HA PRO2053 -0.336 -0.534 11.282 329 HB2 PRO2053 1HB PRO2053 -3.029 -0.953 11.109 330 HB3 PRO2053 2HB PRO2053 -2.298 0.142 12.280 331 HG2 PRO2053 1HG PRO2053 -3.725 0.733 9.766 332 HG3 PRO2053 2HG PRO2053 -3.416 1.823 11.166 333 HD2 PRO2053 1HD PRO2053 -2.121 1.791 8.613 334 HD3 PRO2053 2HD PRO2053 -1.672 2.777 10.011 335 H LEU2054 H LEU2054 -2.273 -0.531 8.327 336 HA LEU2054 HA LEU2054 -2.393 -3.234 7.974 337 HB2 LEU2054 1HB LEU2054 -2.521 -0.841 6.260 338 HB3 LEU2054 2HB LEU2054 -2.210 -2.375 5.425 339 HG LEU2054 HG LEU2054 -4.321 -3.102 5.721 340 HD11 LEU2054 1HD1 LEU2054 -4.121 -1.903 8.472 341 HD12 LEU2054 2HD1 LEU2054 -5.690 -2.439 7.822 342 HD13 LEU2054 3HD1 LEU2054 -4.350 -3.600 7.985 343 HD21 LEU2054 3HD2 LEU2054 -5.157 -0.333 6.510 344 HD22 LEU2054 1HD2 LEU2054 -4.354 -0.599 4.945 345 HD23 LEU2054 2HD2 LEU2054 -5.871 -1.449 5.323 346 H HIS2055 H HIS2055 0.160 -0.985 6.698 347 HA HIS2055 HA HIS2055 1.724 -3.008 5.618 348 HB2 HIS2055 1HB HIS2055 2.269 -0.192 6.522 349 HB3 HIS2055 2HB HIS2055 3.569 -1.214 5.899 350 HD1 HIS2055 1HD HIS2055 2.992 1.257 4.299 351 HD2 HIS2055 2HD HIS2055 0.930 -2.343 3.670 352 HE1 HIS2055 1HE HIS2055 2.064 1.370 1.925 353 HE2 HIS2055 2HE HIS2055 0.801 -0.870 1.587 354 H ALA2056 H ALA2056 1.922 -1.323 8.826 355 HA ALA2056 HA ALA2056 4.121 -2.640 9.808 356 HB1 ALA2056 3HB ALA2056 2.865 -2.220 12.066 357 HB2 ALA2056 1HB ALA2056 3.325 -0.825 11.058 358 HB3 ALA2056 2HB ALA2056 1.647 -1.422 11.042 359 H MET2057 H MET2057 0.626 -3.596 9.982 360 HA MET2057 HA MET2057 0.925 -5.836 11.483 361 HB2 MET2057 1HB MET2057 -1.309 -5.868 11.025 362 HB3 MET2057 2HB MET2057 -1.058 -4.615 9.798 363 HG2 MET2057 1HG MET2057 -0.646 -6.325 8.088 364 HG3 MET2057 2HG MET2057 -0.711 -7.610 9.297 365 HE1 MET2057 3HE MET2057 -2.142 -7.892 6.877 366 HE2 MET2057 1HE MET2057 -3.911 -7.697 6.908 367 HE3 MET2057 2HE MET2057 -2.872 -6.320 6.471 368 H MET2058 H MET2058 1.554 -5.367 7.982 369 HA MET2058 HA MET2058 1.806 -8.094 7.405 370 HB2 MET2058 1HB MET2058 2.940 -5.577 6.082 371 HB3 MET2058 2HB MET2058 2.985 -7.180 5.326 372 HG2 MET2058 1HG MET2058 0.302 -6.386 6.305 373 HG3 MET2058 2HG MET2058 0.935 -5.314 5.052 374 HE1 MET2058 3HE MET2058 -1.637 -8.167 3.832 375 HE2 MET2058 1HE MET2058 -1.054 -8.785 5.397 376 HE3 MET2058 2HE MET2058 -1.500 -7.070 5.226 377 H GLU2059 H GLU2059 4.060 -5.577 8.582 378 HA GLU2059 HA GLU2059 6.366 -7.119 8.107 379 HB2 GLU2059 1HB GLU2059 6.168 -4.934 10.186 380 HB3 GLU2059 2HB GLU2059 7.550 -5.356 9.160 381 HG2 GLU2059 1HG GLU2059 5.857 -4.723 7.206 382 HG3 GLU2059 2HG GLU2059 5.050 -3.800 8.482 383 HE2 GLU2059 HE GLU2059 8.183 -2.298 6.755 384 H ARG2060 H ARG2060 4.763 -6.124 11.226 385 HA ARG2060 HA ARG2060 6.207 -8.028 12.676 386 HB2 ARG2060 1HB ARG2060 4.679 -7.411 14.540 387 HB3 ARG2060 2HB ARG2060 5.283 -5.968 13.707 388 HG2 ARG2060 1HG ARG2060 3.146 -5.999 12.331 389 HG3 ARG2060 2HG ARG2060 2.546 -7.281 13.396 390 HD2 ARG2060 1HD ARG2060 3.616 -4.758 14.643 391 HD3 ARG2060 2HD ARG2060 2.020 -4.694 13.881 392 HE ARG2060 HE ARG2060 1.183 -6.165 15.547 393 HH11 ARG2060 2HH2 ARG2060 4.689 -5.770 15.881 394 HH12 ARG2060 1HH2 ARG2060 4.745 -6.496 17.453 395 H GLY2061 H GLY2061 3.299 -8.129 10.731 396 HA2 GLY2061 2HA GLY2061 2.577 -10.755 11.889 397 HA3 GLY2061 3HA GLY2061 1.442 -9.637 11.157 398 HA PRO2062 HA PRO2062 4.082 -11.565 7.699 399 HB2 PRO2062 1HB PRO2062 5.623 -13.738 8.304 400 HB3 PRO2062 2HB PRO2062 6.262 -12.099 8.214 401 HG2 PRO2062 1HG PRO2062 5.615 -13.757 10.568 402 HG3 PRO2062 2HG PRO2062 6.693 -12.320 10.469 403 HD2 PRO2062 1HD PRO2062 4.047 -12.490 11.554 404 HD3 PRO2062 2HD PRO2062 5.004 -11.020 11.336 405 H GLN2063 H GLN2063 4.441 -14.198 6.849 406 HA GLN2063 HA GLN2063 1.973 -15.449 7.681 407 HB2 GLN2063 1HB GLN2063 2.330 -14.062 5.162 408 HB3 GLN2063 2HB GLN2063 2.050 -15.786 4.859 409 HG2 GLN2063 1HG GLN2063 0.323 -14.054 6.676 410 HG3 GLN2063 2HG GLN2063 -0.059 -14.382 4.979 411 HE21 GLN2063 1HE2 GLN2063 -1.980 -15.089 6.481 412 HE22 GLN2063 2HE2 GLN2063 -2.051 -16.784 6.836 413 H THR2064 H THR2064 4.460 -15.802 5.042 414 HA THR2064 HA THR2064 5.844 -17.896 6.251 415 HB THR2064 HB THR2064 3.713 -19.152 6.027 416 HG1 THR2064 1HG THR2064 5.510 -19.854 3.834 417 HG21 THR2064 3HG2 THR2064 3.201 -19.748 3.489 418 HG22 THR2064 1HG2 THR2064 2.494 -18.274 4.192 419 HG23 THR2064 2HG2 THR2064 3.944 -18.164 3.163 420 H LEU2065 H LEU2065 7.173 -19.161 4.502 421 HA LEU2065 HA LEU2065 8.690 -17.346 3.156 422 HB2 LEU2065 1HB LEU2065 8.594 -20.105 3.525 423 HB3 LEU2065 2HB LEU2065 8.627 -19.881 1.767 424 HG LEU2065 HG LEU2065 10.866 -20.074 2.319 425 HD11 LEU2065 1HD1 LEU2065 11.682 -18.208 1.400 426 HD12 LEU2065 2HD1 LEU2065 9.989 -17.657 1.359 427 HD13 LEU2065 3HD1 LEU2065 11.054 -17.171 2.703 428 HD21 LEU2065 3HD2 LEU2065 10.123 -18.664 4.856 429 HD22 LEU2065 1HD2 LEU2065 11.010 -20.187 4.611 430 HD23 LEU2065 2HD2 LEU2065 11.812 -18.630 4.294 431 H LYS2066 H LYS2066 5.586 -18.772 2.228 432 HA LYS2066 HA LYS2066 5.771 -18.159 -0.518 433 HB2 LYS2066 1HB LYS2066 3.688 -19.048 1.394 434 HB3 LYS2066 2HB LYS2066 3.113 -18.251 -0.082 435 HG2 LYS2066 1HG LYS2066 3.815 -19.966 -1.429 436 HG3 LYS2066 2HG LYS2066 5.264 -20.288 -0.462 437 HD2 LYS2066 1HD LYS2066 3.009 -20.929 1.166 438 HD3 LYS2066 2HD LYS2066 2.702 -21.645 -0.424 439 HE2 LYS2066 1HE LYS2066 4.064 -23.335 0.204 440 HE3 LYS2066 2HE LYS2066 5.418 -22.202 0.087 441 HZ1 LYS2066 2HZ LYS2066 5.369 -21.852 2.372 442 HZ3 LYS2066 1HZ LYS2066 4.947 -23.423 2.320 443 H GLU2067 H GLU2067 4.241 -16.468 2.302 444 HA GLU2067 HA GLU2067 3.478 -14.278 0.714 445 HB2 GLU2067 1HB GLU2067 3.386 -15.066 3.560 446 HB3 GLU2067 2HB GLU2067 3.509 -13.316 3.308 447 HG2 GLU2067 1HG GLU2067 1.456 -15.142 1.989 448 HG3 GLU2067 2HG GLU2067 1.135 -14.136 3.408 449 HE2 GLU2067 HE GLU2067 0.144 -12.377 0.351 450 H THR2068 H THR2068 6.440 -15.249 2.332 451 HA THR2068 HA THR2068 7.616 -12.790 2.834 452 HB THR2068 HB THR2068 8.730 -15.520 2.014 453 HG1 THR2068 1HG THR2068 8.733 -15.709 4.286 454 HG21 THR2068 3HG2 THR2068 10.158 -13.132 3.301 455 HG22 THR2068 1HG2 THR2068 10.852 -14.753 3.054 456 HG23 THR2068 2HG2 THR2068 10.463 -13.729 1.651 457 H SER2069 H SER2069 7.153 -14.541 -0.234 458 HA SER2069 HA SER2069 8.976 -12.969 -1.660 459 HB2 SER2069 1HB SER2069 7.061 -15.094 -2.182 460 HB3 SER2069 2HB SER2069 6.991 -13.875 -3.467 461 HG SER2069 HG SER2069 9.579 -14.655 -2.634 462 H PHE2070 H PHE2070 5.440 -12.773 -0.994 463 HA PHE2070 HA PHE2070 4.870 -10.697 -2.759 464 HB2 PHE2070 1HB PHE2070 3.156 -12.077 -1.663 465 HB3 PHE2070 2HB PHE2070 3.757 -11.646 -0.058 466 HD1 PHE2070 2HD PHE2070 3.512 -9.200 0.657 467 HD2 PHE2070 1HD PHE2070 1.447 -10.855 -2.659 468 HE1 PHE2070 2HE PHE2070 1.846 -7.324 0.760 469 HE2 PHE2070 1HE PHE2070 -0.219 -8.979 -2.557 470 HZ PHE2070 HZ PHE2070 0.000 -7.239 -0.847 471 H ASN2071 H ASN2071 5.608 -10.622 0.802 472 HA ASN2071 HA ASN2071 5.429 -7.905 1.068 473 HB2 ASN2071 1HB ASN2071 5.852 -9.906 2.792 474 HB3 ASN2071 2HB ASN2071 7.548 -9.440 2.599 475 HD21 ASN2071 1HD2 ASN2071 8.307 -7.848 3.779 476 HD22 ASN2071 2HD2 ASN2071 7.385 -6.693 4.684 477 H GLN2072 H GLN2072 7.990 -10.022 -0.222 478 HA GLN2072 HA GLN2072 9.986 -7.998 -0.111 479 HB2 GLN2072 1HB GLN2072 9.799 -10.842 -0.814 480 HB3 GLN2072 2HB GLN2072 10.883 -9.951 -1.898 481 HG2 GLN2072 1HG GLN2072 11.622 -8.945 0.548 482 HG3 GLN2072 2HG GLN2072 11.168 -10.595 0.998 483 HE21 GLN2072 1HE2 GLN2072 12.383 -12.296 0.361 484 HE22 GLN2072 2HE2 GLN2072 13.900 -12.175 -0.465 485 H ALA2073 H ALA2073 7.634 -9.280 -2.473 486 HA ALA2073 HA ALA2073 8.725 -8.176 -4.780 487 HB1 ALA2073 3HB ALA2073 6.687 -8.764 -5.765 488 HB2 ALA2073 1HB ALA2073 6.749 -9.854 -4.358 489 HB3 ALA2073 2HB ALA2073 5.751 -8.381 -4.302 490 H TYR2074 H TYR2074 6.996 -6.746 -2.046 491 HA TYR2074 HA TYR2074 6.926 -4.195 -3.510 492 HB2 TYR2074 1HB TYR2074 5.387 -5.321 -1.094 493 HB3 TYR2074 2HB TYR2074 5.133 -3.700 -1.747 494 HD1 TYR2074 2HD TYR2074 4.692 -3.788 -4.456 495 HD2 TYR2074 1HD TYR2074 3.795 -6.887 -1.647 496 HE1 TYR2074 2HE TYR2074 2.937 -4.724 -6.038 497 HE2 TYR2074 1HE TYR2074 2.042 -7.813 -3.239 498 HH TYR2074 HH TYR2074 0.780 -6.116 -5.711 499 H GLY2075 H GLY2075 8.332 -6.013 -0.894 500 HA2 GLY2075 2HA GLY2075 8.839 -4.405 1.153 501 HA3 GLY2075 3HA GLY2075 10.086 -5.393 0.420 502 H ARG2076 H ARG2076 10.393 -4.092 -2.106 503 HA ARG2076 HA ARG2076 11.922 -1.874 -1.215 504 HB2 ARG2076 1HB ARG2076 12.778 -3.395 -2.955 505 HB3 ARG2076 2HB ARG2076 11.415 -2.999 -4.017 506 HG2 ARG2076 1HG ARG2076 13.320 -1.710 -4.748 507 HG3 ARG2076 2HG ARG2076 12.200 -0.581 -3.967 508 HD2 ARG2076 1HD ARG2076 14.058 0.080 -2.817 509 HD3 ARG2076 2HD ARG2076 13.751 -1.355 -1.825 510 HE ARG2076 HE ARG2076 15.827 -1.048 -3.918 511 HH11 ARG2076 2HH2 ARG2076 14.174 -3.211 -1.652 512 HH12 ARG2076 1HH2 ARG2076 15.419 -4.413 -1.696 513 H ASP2077 H ASP2077 8.976 -2.461 -3.213 514 HA ASP2077 HA ASP2077 8.654 0.067 -4.196 515 HB2 ASP2077 1HB ASP2077 6.779 -2.178 -3.457 516 HB3 ASP2077 2HB ASP2077 6.087 -0.630 -3.969 517 HD2 ASP2077 HD ASP2077 6.852 -3.139 -6.700 518 H LEU2078 H LEU2078 6.990 -1.458 -1.322 519 HA LEU2078 HA LEU2078 5.768 0.806 -0.369 520 HB2 LEU2078 1HB LEU2078 6.820 -1.641 1.025 521 HB3 LEU2078 2HB LEU2078 5.852 -0.403 1.845 522 HG LEU2078 HG LEU2078 5.030 -2.276 -0.378 523 HD11 LEU2078 1HD1 LEU2078 3.190 -2.119 1.804 524 HD12 LEU2078 2HD1 LEU2078 4.167 -3.501 1.254 525 HD13 LEU2078 3HD1 LEU2078 4.830 -2.365 2.452 526 HD21 LEU2078 3HD2 LEU2078 2.819 -1.130 -0.336 527 HD22 LEU2078 1HD2 LEU2078 3.553 0.161 0.645 528 HD23 LEU2078 2HD2 LEU2078 4.135 -0.141 -1.010 529 H MET2079 H MET2079 9.149 -0.300 -0.028 530 HA MET2079 HA MET2079 9.878 1.385 2.021 531 HB2 MET2079 1HB MET2079 11.143 -0.241 -0.089 532 HB3 MET2079 2HB MET2079 12.116 1.187 0.296 533 HG2 MET2079 1HG MET2079 11.270 0.152 2.794 534 HG3 MET2079 2HG MET2079 11.719 -1.266 1.844 535 HE1 MET2079 3HE MET2079 13.841 -1.183 4.127 536 HE2 MET2079 1HE MET2079 14.535 0.438 4.369 537 HE3 MET2079 2HE MET2079 12.771 0.203 4.447 538 H GLU2080 H GLU2080 9.948 1.898 -1.566 539 HA GLU2080 HA GLU2080 11.090 4.428 -1.409 540 HB2 GLU2080 1HB GLU2080 11.037 3.029 -3.450 541 HB3 GLU2080 2HB GLU2080 9.285 3.260 -3.574 542 HG2 GLU2080 1HG GLU2080 9.496 5.507 -4.179 543 HG3 GLU2080 2HG GLU2080 11.077 5.686 -3.405 544 HE2 GLU2080 HE GLU2080 11.665 5.576 -6.953 545 H ALA2081 H ALA2081 7.635 3.461 -2.048 546 HA ALA2081 HA ALA2081 6.557 5.985 -1.999 547 HB1 ALA2081 3HB ALA2081 5.339 3.374 -1.008 548 HB2 ALA2081 1HB ALA2081 4.440 4.827 -1.514 549 HB3 ALA2081 2HB ALA2081 5.396 3.911 -2.704 550 H GLN2082 H GLN2082 7.328 3.745 0.719 551 HA GLN2082 HA GLN2082 6.092 5.210 2.695 552 HB2 GLN2082 1HB GLN2082 6.864 2.940 3.061 553 HB3 GLN2082 2HB GLN2082 8.554 3.413 2.801 554 HG2 GLN2082 1HG GLN2082 7.853 5.147 4.790 555 HG3 GLN2082 2HG GLN2082 6.793 3.785 5.189 556 HE21 GLN2082 1HE2 GLN2082 10.105 4.819 4.606 557 HE22 GLN2082 2HE2 GLN2082 10.907 3.562 5.488 558 H GLU2083 H GLU2083 9.337 5.514 1.185 559 HA GLU2083 HA GLU2083 10.339 7.325 3.045 560 HB2 GLU2083 1HB GLU2083 12.180 6.929 1.835 561 HB3 GLU2083 2HB GLU2083 11.210 6.057 0.636 562 HG2 GLU2083 1HG GLU2083 10.787 8.129 -0.587 563 HG3 GLU2083 2HG GLU2083 11.587 9.088 0.670 564 HE2 GLU2083 HE GLU2083 13.696 7.308 -2.159 565 H TRP2084 H TRP2084 8.324 7.670 0.112 566 HA TRP2084 HA TRP2084 8.608 10.506 -0.014 567 HB2 TRP2084 1HB TRP2084 6.640 8.603 -1.287 568 HB3 TRP2084 2HB TRP2084 6.738 10.329 -1.639 569 HD1 TRP2084 HD TRP2084 8.326 7.033 -2.586 570 HE1 TRP2084 1HE TRP2084 10.241 7.320 -4.378 571 HE3 TRP2084 3HE TRP2084 8.608 12.098 -2.244 572 HZ2 TRP2084 2HZ TRP2084 11.628 9.582 -5.427 573 HZ3 TRP2084 3HZ TRP2084 10.270 13.269 -3.687 574 HH2 TRP2084 HH TRP2084 11.748 12.094 -5.238 575 H CYS2085 H CYS2085 6.715 8.162 1.802 576 HA CYS2085 HA CYS2085 4.532 9.847 2.373 577 HB2 CYS2085 1HB CYS2085 4.032 7.631 2.704 578 HB3 CYS2085 2HB CYS2085 5.584 7.264 3.483 579 HG CYS2085 HG CYS2085 5.140 8.534 5.684 580 H ARG2086 H ARG2086 7.409 8.768 4.337 581 HA ARG2086 HA ARG2086 6.907 10.560 6.388 582 HB2 ARG2086 1HB ARG2086 9.101 9.942 7.218 583 HB3 ARG2086 2HB ARG2086 8.390 8.493 6.485 584 HG2 ARG2086 1HG ARG2086 9.691 9.680 4.343 585 HG3 ARG2086 2HG ARG2086 10.781 10.051 5.690 586 HD2 ARG2086 1HD ARG2086 9.736 7.290 4.918 587 HD3 ARG2086 2HD ARG2086 11.377 7.888 4.624 588 HE ARG2086 HE ARG2086 11.809 7.785 6.998 589 HH11 ARG2086 2HH2 ARG2086 8.585 6.594 6.135 590 HH12 ARG2086 1HH2 ARG2086 8.351 5.770 7.643 591 H LYS2087 H LYS2087 8.509 10.855 3.251 592 HA LYS2087 HA LYS2087 10.035 13.159 3.882 593 HB2 LYS2087 1HB LYS2087 10.732 11.757 2.093 594 HB3 LYS2087 2HB LYS2087 9.168 11.895 1.272 595 HG2 LYS2087 1HG LYS2087 10.479 14.485 1.866 596 HG3 LYS2087 2HG LYS2087 11.395 13.459 0.747 597 HD2 LYS2087 1HD LYS2087 8.691 13.287 -0.080 598 HD3 LYS2087 2HD LYS2087 8.962 15.002 0.279 599 HE2 LYS2087 1HE LYS2087 10.826 13.327 -1.449 600 HE3 LYS2087 2HE LYS2087 9.488 14.270 -2.118 601 HZ1 LYS2087 2HZ LYS2087 11.517 15.566 -2.168 602 HZ3 LYS2087 1HZ LYS2087 11.789 15.349 -0.578 603 H TYR2088 H TYR2088 6.710 12.523 2.750 604 HA TYR2088 HA TYR2088 6.196 15.242 2.071 605 HB2 TYR2088 1HB TYR2088 4.857 13.527 1.042 606 HB3 TYR2088 2HB TYR2088 4.699 12.625 2.552 607 HD1 TYR2088 2HD TYR2088 3.515 15.608 0.685 608 HD2 TYR2088 1HD TYR2088 2.874 13.033 4.043 609 HE1 TYR2088 2HE TYR2088 1.233 16.661 1.068 610 HE2 TYR2088 1HE TYR2088 0.594 14.096 4.412 611 HH TYR2088 HH TYR2088 -1.110 15.366 2.635 612 H MET2089 H MET2089 5.279 13.091 4.853 613 HA MET2089 HA MET2089 3.860 15.027 6.207 614 HB2 MET2089 1HB MET2089 5.437 12.566 7.089 615 HB3 MET2089 2HB MET2089 4.460 13.499 8.237 616 HG2 MET2089 1HG MET2089 2.587 13.156 6.345 617 HG3 MET2089 2HG MET2089 3.586 11.760 5.931 618 HE1 MET2089 3HE MET2089 0.347 11.033 7.618 619 HE2 MET2089 1HE MET2089 0.486 12.364 8.791 620 HE3 MET2089 2HE MET2089 0.786 12.666 7.063 621 H LYS2090 H LYS2090 7.360 14.330 6.057 622 HA LYS2090 HA LYS2090 8.053 15.890 8.308 623 HB2 LYS2090 1HB LYS2090 9.543 14.197 7.617 624 HB3 LYS2090 2HB LYS2090 9.607 14.803 5.952 625 HG2 LYS2090 1HG LYS2090 11.599 15.349 7.501 626 HG3 LYS2090 2HG LYS2090 10.908 16.700 6.583 627 HD2 LYS2090 1HD LYS2090 11.255 17.439 8.856 628 HD3 LYS2090 2HD LYS2090 9.508 17.255 8.628 629 HE2 LYS2090 1HE LYS2090 9.514 15.931 10.456 630 HE3 LYS2090 2HE LYS2090 10.387 14.720 9.502 631 HZ1 LYS2090 2HZ LYS2090 11.345 16.082 11.707 632 HZ3 LYS2090 1HZ LYS2090 12.153 16.738 10.457 633 H SER2091 H SER2091 8.342 16.522 4.737 634 HA SER2091 HA SER2091 7.292 19.051 4.902 635 HB2 SER2091 1HB SER2091 10.168 18.875 5.577 636 HB3 SER2091 2HB SER2091 9.794 20.067 4.319 637 HG SER2091 HG SER2091 7.975 20.637 6.015 638 H GLY2092 H GLY2092 6.462 17.629 3.052 639 HA2 GLY2092 2HA GLY2092 8.237 17.868 0.697 640 HA3 GLY2092 3HA GLY2092 7.105 16.557 0.951 641 H ASN2093 H ASN2093 5.939 16.997 -1.001 642 HA ASN2093 HA ASN2093 4.088 19.181 -0.657 643 HB2 ASN2093 1HB ASN2093 6.268 19.356 -2.463 644 HB3 ASN2093 2HB ASN2093 4.872 18.969 -3.481 645 HD21 ASN2093 1HD2 ASN2093 5.070 21.042 -4.406 646 HD22 ASN2093 2HD2 ASN2093 4.473 22.461 -3.611 647 H VAL2094 H VAL2094 2.164 18.878 -2.201 648 HA VAL2094 HA VAL2094 1.137 16.371 -2.139 649 HB VAL2094 HB VAL2094 0.259 18.793 -2.870 650 HG11 VAL2094 1HG1 VAL2094 -0.428 18.781 -5.228 651 HG12 VAL2094 2HG1 VAL2094 1.344 18.740 -5.071 652 HG13 VAL2094 3HG1 VAL2094 0.452 17.255 -5.483 653 HG21 VAL2094 3HG2 VAL2094 -1.422 16.710 -4.076 654 HG22 VAL2094 1HG2 VAL2094 -0.841 16.295 -2.445 655 HG23 VAL2094 2HG2 VAL2094 -1.750 17.803 -2.709 656 H LYS2095 H LYS2095 3.184 17.867 -4.698 657 HA LYS2095 HA LYS2095 2.944 15.955 -6.637 658 HB2 LYS2095 1HB LYS2095 4.298 18.223 -6.417 659 HB3 LYS2095 2HB LYS2095 5.645 17.114 -6.109 660 HG2 LYS2095 1HG LYS2095 4.296 15.964 -8.279 661 HG3 LYS2095 2HG LYS2095 4.224 17.702 -8.618 662 HD2 LYS2095 1HD LYS2095 6.278 17.245 -9.549 663 HD3 LYS2095 2HD LYS2095 6.820 17.540 -7.888 664 HE2 LYS2095 1HE LYS2095 6.448 14.995 -7.531 665 HE3 LYS2095 2HE LYS2095 6.377 14.879 -9.296 666 HZ1 LYS2095 2HZ LYS2095 8.615 16.404 -8.694 667 HZ3 LYS2095 1HZ LYS2095 8.610 14.871 -9.244 668 H ASP2096 H ASP2096 5.183 15.989 -3.789 669 HA ASP2096 HA ASP2096 6.401 13.591 -4.437 670 HB2 ASP2096 1HB ASP2096 7.545 13.921 -2.488 671 HB3 ASP2096 2HB ASP2096 6.776 15.513 -2.537 672 HD2 ASP2096 HD ASP2096 5.824 12.873 0.278 673 H LEU2097 H LEU2097 3.531 14.476 -2.419 674 HA LEU2097 HA LEU2097 3.060 11.970 -1.311 675 HB2 LEU2097 1HB LEU2097 1.925 13.621 -0.273 676 HB3 LEU2097 2HB LEU2097 1.504 14.459 -1.778 677 HG LEU2097 HG LEU2097 -0.348 13.095 -2.158 678 HD11 LEU2097 1HD1 LEU2097 1.236 11.066 -0.816 679 HD12 LEU2097 2HD1 LEU2097 -0.453 11.063 -0.255 680 HD13 LEU2097 3HD1 LEU2097 -0.092 10.895 -1.991 681 HD21 LEU2097 3HD2 LEU2097 -1.263 12.801 0.397 682 HD22 LEU2097 1HD2 LEU2097 0.023 14.013 0.615 683 HD23 LEU2097 2HD2 LEU2097 -1.300 14.317 -0.536 684 H THR2098 H THR2098 1.969 13.459 -4.414 685 HA THR2098 HA THR2098 0.287 11.359 -5.183 686 HB THR2098 HB THR2098 1.896 13.449 -6.737 687 HG1 THR2098 1HG THR2098 -0.325 14.378 -6.671 688 HG21 THR2098 3HG2 THR2098 -0.444 11.672 -7.607 689 HG22 THR2098 1HG2 THR2098 0.153 13.083 -8.516 690 HG23 THR2098 2HG2 THR2098 1.194 11.655 -8.305 691 H GLN2099 H GLN2099 3.805 11.915 -5.784 692 HA GLN2099 HA GLN2099 4.176 9.785 -7.452 693 HB2 GLN2099 1HB GLN2099 5.765 11.695 -6.141 694 HB3 GLN2099 2HB GLN2099 6.440 10.136 -5.636 695 HG2 GLN2099 1HG GLN2099 5.830 10.036 -8.456 696 HG3 GLN2099 2HG GLN2099 6.778 11.495 -8.140 697 HE21 GLN2099 1HE2 GLN2099 6.661 8.022 -8.090 698 HE22 GLN2099 2HE2 GLN2099 8.347 7.712 -7.839 699 H ALA2100 H ALA2100 4.418 9.924 -3.836 700 HA ALA2100 HA ALA2100 5.174 7.290 -3.441 701 HB1 ALA2100 3HB ALA2100 4.885 9.410 -1.856 702 HB2 ALA2100 1HB ALA2100 3.307 8.658 -1.526 703 HB3 ALA2100 2HB ALA2100 4.807 7.756 -1.205 704 H TRP2101 H TRP2101 1.928 8.791 -3.880 705 HA TRP2101 HA TRP2101 0.471 6.461 -3.299 706 HB2 TRP2101 1HB TRP2101 -0.053 9.137 -3.946 707 HB3 TRP2101 2HB TRP2101 -0.852 8.184 -5.197 708 HD1 TRP2101 HD TRP2101 -1.517 9.498 -1.829 709 HE1 TRP2101 1HE TRP2101 -3.573 8.365 -0.623 710 HE3 TRP2101 3HE TRP2101 -1.867 5.542 -5.003 711 HZ2 TRP2101 2HZ TRP2101 -5.081 5.995 -1.123 712 HZ3 TRP2101 3HZ TRP2101 -3.659 3.864 -4.573 713 HH2 TRP2101 HH TRP2101 -5.233 4.043 -2.712 714 H ASP2102 H ASP2102 2.131 7.756 -6.187 715 HA ASP2102 HA ASP2102 0.919 6.201 -8.090 716 HB2 ASP2102 1HB ASP2102 3.112 7.971 -7.906 717 HB3 ASP2102 2HB ASP2102 3.802 6.474 -8.551 718 HD2 ASP2102 HD ASP2102 2.182 6.788 -11.595 719 H LEU2103 H LEU2103 3.912 5.643 -6.095 720 HA LEU2103 HA LEU2103 4.549 3.152 -7.160 721 HB2 LEU2103 1HB LEU2103 5.156 4.558 -4.585 722 HB3 LEU2103 2HB LEU2103 5.729 2.908 -4.883 723 HG LEU2103 HG LEU2103 6.732 3.926 -7.061 724 HD11 LEU2103 1HD1 LEU2103 7.363 6.286 -6.885 725 HD12 LEU2103 2HD1 LEU2103 5.595 6.082 -6.941 726 HD13 LEU2103 3HD1 LEU2103 6.401 6.436 -5.394 727 HD21 LEU2103 3HD2 LEU2103 8.781 4.625 -5.794 728 HD22 LEU2103 1HD2 LEU2103 7.846 4.428 -4.292 729 HD23 LEU2103 2HD2 LEU2103 8.134 3.027 -5.352 730 H TYR2104 H TYR2104 2.568 4.074 -4.270 731 HA TYR2104 HA TYR2104 2.004 1.482 -3.444 732 HB2 TYR2104 1HB TYR2104 0.589 4.202 -3.386 733 HB3 TYR2104 2HB TYR2104 -0.101 2.813 -2.539 734 HD1 TYR2104 1HD TYR2104 2.464 1.585 -1.509 735 HD2 TYR2104 2HD TYR2104 1.111 5.642 -1.597 736 HE1 TYR2104 1HE TYR2104 3.914 2.119 0.510 737 HE2 TYR2104 2HE TYR2104 2.565 6.163 0.422 738 HH TYR2104 HH TYR2104 4.103 3.654 2.231 739 H TYR2105 H TYR2105 0.135 3.701 -5.628 740 HA TYR2105 HA TYR2105 -2.055 2.148 -6.070 741 HB2 TYR2105 1HB TYR2105 -1.300 4.494 -6.932 742 HB3 TYR2105 2HB TYR2105 -0.396 3.642 -8.189 743 HD1 TYR2105 2HD TYR2105 -3.156 1.641 -7.728 744 HD2 TYR2105 1HD TYR2105 -2.142 5.500 -9.275 745 HE1 TYR2105 2HE TYR2105 -5.240 1.613 -9.183 746 HE2 TYR2105 1HE TYR2105 -4.231 5.458 -10.723 747 HH TYR2105 HH TYR2105 -6.511 2.746 -10.523 748 H HIS2106 H HIS2106 1.128 1.987 -7.802 749 HA HIS2106 HA HIS2106 0.334 -0.016 -9.569 750 HB2 HIS2106 1HB HIS2106 3.034 0.853 -8.538 751 HB3 HIS2106 2HB HIS2106 2.835 -0.376 -9.792 752 HD1 HIS2106 1HD HIS2106 0.764 2.811 -9.570 753 HD2 HIS2106 2HD HIS2106 3.816 1.133 -11.907 754 HE1 HIS2106 1HE HIS2106 1.059 4.357 -11.578 755 HE2 HIS2106 2HE HIS2106 2.949 3.277 -12.988 756 H VAL2107 H VAL2107 1.749 -0.091 -6.265 757 HA VAL2107 HA VAL2107 2.247 -2.844 -6.209 758 HB VAL2107 HB VAL2107 1.905 -0.648 -4.211 759 HG11 VAL2107 1HG1 VAL2107 0.775 -2.424 -3.069 760 HG12 VAL2107 2HG1 VAL2107 2.020 -3.605 -3.544 761 HG13 VAL2107 3HG1 VAL2107 2.416 -2.310 -2.388 762 HG21 VAL2107 3HG2 VAL2107 4.082 -2.181 -5.446 763 HG22 VAL2107 1HG2 VAL2107 4.098 -0.572 -4.685 764 HG23 VAL2107 2HG2 VAL2107 4.236 -2.035 -3.679 765 H PHE2108 H PHE2108 -0.545 -0.912 -4.906 766 HA PHE2108 HA PHE2108 -2.021 -3.182 -4.188 767 HB2 PHE2108 1HB PHE2108 -2.509 -0.234 -4.774 768 HB3 PHE2108 2HB PHE2108 -3.901 -1.274 -4.454 769 HD1 PHE2108 1HD PHE2108 -0.816 0.144 -3.022 770 HD2 PHE2108 2HD PHE2108 -4.384 -2.014 -2.237 771 HE1 PHE2108 1HE PHE2108 -0.460 0.452 -0.556 772 HE2 PHE2108 2HE PHE2108 -4.028 -1.706 0.229 773 HZ PHE2108 HZ PHE2108 -2.070 -0.477 1.039 774 H ARG2109 H ARG2109 -1.580 -1.440 -7.246 775 HA ARG2109 HA ARG2109 -3.933 -2.465 -8.411 776 HB2 ARG2109 1HB ARG2109 -2.876 -0.389 -9.215 777 HB3 ARG2109 2HB ARG2109 -1.408 -1.273 -9.667 778 HG2 ARG2109 1HG ARG2109 -3.548 -2.638 -10.921 779 HG3 ARG2109 2HG ARG2109 -3.895 -0.916 -11.157 780 HD2 ARG2109 1HD ARG2109 -1.103 -1.257 -11.616 781 HD3 ARG2109 2HD ARG2109 -1.906 -2.586 -12.469 782 HE ARG2109 HE ARG2109 -2.955 -1.012 -13.894 783 HH11 ARG2109 2HH2 ARG2109 -1.247 0.655 -11.275 784 HH12 ARG2109 1HH2 ARG2109 -1.383 2.215 -12.013 785 H ARG2110 H ARG2110 -0.639 -3.604 -7.898 786 HA ARG2110 HA ARG2110 -0.697 -5.474 -10.020 787 HB2 ARG2110 1HB ARG2110 1.305 -4.365 -8.585 788 HB3 ARG2110 2HB ARG2110 1.131 -5.866 -7.658 789 HG2 ARG2110 1HG ARG2110 1.303 -5.926 -10.678 790 HG3 ARG2110 2HG ARG2110 2.782 -5.789 -9.711 791 HD2 ARG2110 1HD ARG2110 0.911 -7.887 -8.776 792 HD3 ARG2110 2HD ARG2110 1.533 -8.171 -10.409 793 HE ARG2110 HE ARG2110 3.017 -8.358 -7.924 794 HH11 ARG2110 2HH2 ARG2110 3.371 -7.526 -11.350 795 HH12 ARG2110 1HH2 ARG2110 5.062 -7.898 -11.393 796 H ILE2111 H ILE2111 -0.955 -5.631 -6.396 797 HA ILE2111 HA ILE2111 -1.203 -8.300 -6.033 798 HB ILE2111 HB ILE2111 -2.742 -7.654 -4.116 799 HG12 ILE2111 1HG1 ILE2111 -2.138 -4.879 -5.159 800 HG13 ILE2111 2HG1 ILE2111 -3.731 -5.652 -5.115 801 HG21 ILE2111 1HG2 ILE2111 -0.100 -7.726 -4.286 802 HG22 ILE2111 2HG2 ILE2111 -0.273 -5.977 -4.006 803 HG23 ILE2111 3HG2 ILE2111 -0.930 -7.136 -2.827 804 HD11 ILE2111 3HD1 ILE2111 -3.658 -4.259 -3.179 805 HD12 ILE2111 1HD1 ILE2111 -3.339 -5.900 -2.567 806 HD13 ILE2111 2HD1 ILE2111 -1.994 -4.757 -2.787 807 H SER2112 H SER2112 -3.513 -6.072 -7.548 808 HA SER2112 HA SER2112 -5.579 -8.056 -7.486 809 HB2 SER2112 1HB SER2112 -6.453 -5.898 -7.289 810 HB3 SER2112 2HB SER2112 -5.338 -5.216 -8.485 811 HG SER2112 HG SER2112 -7.190 -7.199 -9.354 812 H LYS2113 H LYS2113 -3.630 -6.284 -9.999 813 HA LYS2113 HA LYS2113 -4.521 -7.441 -12.251 814 HB2 LYS2113 1HB LYS2113 -2.268 -5.970 -11.438 815 HB3 LYS2113 2HB LYS2113 -1.637 -7.360 -12.339 816 HG2 LYS2113 1HG LYS2113 -2.035 -5.796 -14.035 817 HG3 LYS2113 2HG LYS2113 -3.526 -6.753 -14.075 818 HD2 LYS2113 1HD LYS2113 -3.441 -4.387 -12.235 819 HD3 LYS2113 2HD LYS2113 -3.529 -4.051 -13.973 820 HE2 LYS2113 1HE LYS2113 -5.472 -5.826 -13.941 821 HE3 LYS2113 2HE LYS2113 -5.513 -5.506 -12.200 822 HZ1 LYS2113 2HZ LYS2113 -6.114 -3.290 -12.595 823 HZ3 LYS2113 1HZ LYS2113 -6.958 -4.066 -13.750 824 H GLN2114 H GLN2114 -1.403 -8.725 -10.985 825 HA GLN2114 HA GLN2114 -2.539 -11.382 -11.397 826 HB2 GLN2114 1HB GLN2114 -0.524 -10.223 -12.898 827 HB3 GLN2114 2HB GLN2114 0.393 -11.171 -11.714 828 HG2 GLN2114 1HG GLN2114 0.034 -12.890 -13.164 829 HG3 GLN2114 2HG GLN2114 -1.574 -12.963 -12.429 830 HE21 GLN2114 1HE2 GLN2114 -0.705 -13.696 -15.100 831 HE22 GLN2114 2HE2 GLN2114 -1.623 -12.754 -16.228 Start of MODEL 14 1 H MET2014 H MET2014 -0.336 -19.302 -0.777 2 HA MET2014 HA MET2014 1.524 -19.926 -2.719 3 HB2 MET2014 1HB MET2014 -1.120 -21.243 -2.958 4 HB3 MET2014 2HB MET2014 -0.691 -20.314 -4.405 5 HG2 MET2014 1HG MET2014 1.569 -21.896 -3.386 6 HG3 MET2014 2HG MET2014 0.177 -22.914 -3.761 7 HE1 MET2014 3HE MET2014 2.341 -23.754 -6.006 8 HE2 MET2014 1HE MET2014 3.195 -22.282 -6.531 9 HE3 MET2014 2HE MET2014 3.049 -22.655 -4.797 10 H GLU2015 H GLU2015 1.355 -18.428 -4.637 11 HA GLU2015 HA GLU2015 -0.218 -16.105 -3.855 12 HB2 GLU2015 1HB GLU2015 2.326 -16.302 -5.511 13 HB3 GLU2015 2HB GLU2015 1.455 -14.792 -5.194 14 HG2 GLU2015 1HG GLU2015 2.141 -14.711 -2.995 15 HG3 GLU2015 2HG GLU2015 2.164 -16.472 -2.812 16 HE2 GLU2015 HE GLU2015 5.362 -14.597 -4.368 17 H LEU2016 H LEU2016 -0.045 -18.687 -6.068 18 HA LEU2016 HA LEU2016 -1.070 -17.190 -8.319 19 HB2 LEU2016 1HB LEU2016 -0.055 -19.908 -7.785 20 HB3 LEU2016 2HB LEU2016 -1.307 -19.777 -9.035 21 HG LEU2016 HG LEU2016 0.408 -17.775 -9.760 22 HD11 LEU2016 1HD1 LEU2016 2.123 -20.014 -8.652 23 HD12 LEU2016 2HD1 LEU2016 2.691 -18.660 -9.659 24 HD13 LEU2016 3HD1 LEU2016 2.034 -18.347 -8.034 25 HD21 LEU2016 3HD2 LEU2016 -0.566 -19.377 -11.280 26 HD22 LEU2016 1HD2 LEU2016 1.199 -19.340 -11.508 27 HD23 LEU2016 2HD2 LEU2016 0.446 -20.681 -10.614 28 H ILE2017 H ILE2017 -2.321 -18.163 -5.398 29 HA ILE2017 HA ILE2017 -4.915 -18.861 -6.571 30 HB ILE2017 HB ILE2017 -3.810 -19.280 -3.791 31 HG12 ILE2017 1HG1 ILE2017 -4.145 -21.033 -6.196 32 HG13 ILE2017 2HG1 ILE2017 -2.767 -20.890 -5.090 33 HG21 ILE2017 1HG2 ILE2017 -6.271 -18.767 -3.883 34 HG22 ILE2017 2HG2 ILE2017 -6.469 -20.230 -4.878 35 HG23 ILE2017 3HG2 ILE2017 -5.850 -20.361 -3.214 36 HD11 ILE2017 3HD1 ILE2017 -4.137 -21.966 -3.296 37 HD12 ILE2017 1HD1 ILE2017 -5.478 -22.141 -4.452 38 HD13 ILE2017 2HD1 ILE2017 -3.954 -23.019 -4.718 39 H ARG2018 H ARG2018 -6.700 -17.557 -6.265 40 HA ARG2018 HA ARG2018 -6.075 -15.025 -4.991 41 HB2 ARG2018 1HB ARG2018 -6.816 -15.008 -7.389 42 HB3 ARG2018 2HB ARG2018 -8.360 -15.729 -6.905 43 HG2 ARG2018 1HG ARG2018 -8.826 -13.419 -7.026 44 HG3 ARG2018 2HG ARG2018 -8.565 -13.686 -5.293 45 HD2 ARG2018 1HD ARG2018 -7.018 -12.037 -5.391 46 HD3 ARG2018 2HD ARG2018 -5.994 -13.144 -6.316 47 HE ARG2018 HE ARG2018 -6.439 -11.861 -8.214 48 HH11 ARG2018 2HH2 ARG2018 -8.990 -11.243 -5.834 49 HH12 ARG2018 1HH2 ARG2018 -9.746 -10.007 -6.780 50 H VAL2019 H VAL2019 -6.884 -14.762 -2.935 51 HA VAL2019 HA VAL2019 -9.405 -16.142 -2.320 52 HB VAL2019 HB VAL2019 -6.990 -15.613 -0.579 53 HG11 VAL2019 1HG1 VAL2019 -8.160 -16.432 1.292 54 HG12 VAL2019 2HG1 VAL2019 -9.297 -15.304 0.517 55 HG13 VAL2019 3HG1 VAL2019 -9.496 -17.060 0.298 56 HG21 VAL2019 3HG2 VAL2019 -6.935 -17.557 -2.213 57 HG22 VAL2019 1HG2 VAL2019 -6.698 -17.972 -0.499 58 HG23 VAL2019 2HG2 VAL2019 -8.272 -18.269 -1.278 59 HA PRO2020 HA PRO2020 -10.878 -12.163 -1.462 60 HB2 PRO2020 1HB PRO2020 -13.154 -12.798 -0.093 61 HB3 PRO2020 2HB PRO2020 -13.052 -12.816 -1.852 62 HG2 PRO2020 1HG PRO2020 -13.042 -15.055 0.069 63 HG3 PRO2020 2HG PRO2020 -13.420 -15.086 -1.690 64 HD2 PRO2020 1HD PRO2020 -11.040 -15.969 -0.363 65 HD3 PRO2020 2HD PRO2020 -11.302 -15.874 -2.110 66 H ILE2021 H ILE2021 -10.835 -14.401 1.250 67 HA ILE2021 HA ILE2021 -10.382 -12.104 2.995 68 HB ILE2021 HB ILE2021 -10.607 -14.015 4.746 69 HG12 ILE2021 1HG1 ILE2021 -10.595 -15.671 2.675 70 HG13 ILE2021 2HG1 ILE2021 -11.516 -16.015 4.149 71 HG21 ILE2021 1HG2 ILE2021 -12.769 -12.676 3.148 72 HG22 ILE2021 2HG2 ILE2021 -13.185 -13.815 4.451 73 HG23 ILE2021 3HG2 ILE2021 -12.221 -12.362 4.812 74 HD11 ILE2021 3HD1 ILE2021 -12.900 -14.389 2.046 75 HD12 ILE2021 1HD1 ILE2021 -12.601 -16.101 1.662 76 HD13 ILE2021 2HD1 ILE2021 -13.545 -15.665 3.106 77 H LEU2022 H LEU2022 -8.220 -11.781 1.957 78 HA LEU2022 HA LEU2022 -6.275 -13.402 3.393 79 HB2 LEU2022 1HB LEU2022 -6.822 -13.865 0.730 80 HB3 LEU2022 2HB LEU2022 -5.397 -12.811 0.682 81 HG LEU2022 HG LEU2022 -4.590 -15.024 0.636 82 HD11 LEU2022 1HD1 LEU2022 -3.106 -13.959 2.014 83 HD12 LEU2022 2HD1 LEU2022 -4.320 -13.648 3.277 84 HD13 LEU2022 3HD1 LEU2022 -3.635 -15.279 3.083 85 HD21 LEU2022 3HD2 LEU2022 -6.158 -16.548 1.193 86 HD22 LEU2022 1HD2 LEU2022 -5.321 -16.506 2.764 87 HD23 LEU2022 2HD2 LEU2022 -6.811 -15.563 2.524 88 H TRP2023 H TRP2023 -4.019 -12.119 2.047 89 HA TRP2023 HA TRP2023 -3.968 -9.741 3.580 90 HB2 TRP2023 1HB TRP2023 -2.126 -11.253 1.832 91 HB3 TRP2023 2HB TRP2023 -1.807 -9.524 1.980 92 HD1 TRP2023 HD TRP2023 -3.241 -10.957 5.152 93 HE1 TRP2023 1HE TRP2023 -1.418 -11.278 7.033 94 HE3 TRP2023 3HE TRP2023 0.775 -10.211 2.123 95 HZ2 TRP2023 2HZ TRP2023 1.434 -11.186 7.042 96 HZ3 TRP2023 3HZ TRP2023 3.044 -10.344 3.149 97 HH2 TRP2023 HH TRP2023 3.407 -10.813 5.520 98 H HIS2024 H HIS2024 -4.061 -10.493 0.025 99 HA HIS2024 HA HIS2024 -4.021 -7.982 -0.969 100 HB2 HIS2024 1HB HIS2024 -5.933 -10.025 -2.061 101 HB3 HIS2024 2HB HIS2024 -4.932 -8.860 -2.935 102 HD1 HIS2024 1HD HIS2024 -4.861 -12.263 -1.346 103 HD2 HIS2024 2HD HIS2024 -2.233 -9.663 -3.329 104 HE1 HIS2024 1HE HIS2024 -2.791 -13.641 -1.922 105 HE2 HIS2024 2HE HIS2024 -1.203 -11.993 -3.141 106 H GLU2025 H GLU2025 -6.488 -9.461 1.025 107 HA GLU2025 HA GLU2025 -8.597 -7.806 0.190 108 HB2 GLU2025 1HB GLU2025 -8.814 -10.011 1.390 109 HB3 GLU2025 2HB GLU2025 -8.266 -9.215 2.873 110 HG2 GLU2025 1HG GLU2025 -10.266 -7.517 2.020 111 HG3 GLU2025 2HG GLU2025 -10.894 -9.085 1.493 112 HE2 GLU2025 HE GLU2025 -12.098 -9.417 4.687 113 H MET2026 H MET2026 -6.079 -7.617 2.749 114 HA MET2026 HA MET2026 -7.197 -5.372 3.999 115 HB2 MET2026 1HB MET2026 -5.213 -5.419 5.316 116 HB3 MET2026 2HB MET2026 -5.391 -7.110 4.817 117 HG2 MET2026 1HG MET2026 -3.158 -6.768 4.280 118 HG3 MET2026 2HG MET2026 -3.894 -6.285 2.751 119 HE1 MET2026 3HE MET2026 -1.212 -5.711 3.428 120 HE2 MET2026 1HE MET2026 -0.812 -3.985 3.593 121 HE3 MET2026 2HE MET2026 -1.056 -4.984 5.045 122 H TRP2027 H TRP2027 -5.002 -5.856 1.235 123 HA TRP2027 HA TRP2027 -4.004 -3.217 1.157 124 HB2 TRP2027 1HB TRP2027 -4.199 -5.409 -0.901 125 HB3 TRP2027 2HB TRP2027 -3.431 -3.850 -1.216 126 HD1 TRP2027 HD TRP2027 -2.988 -6.892 1.188 127 HE1 TRP2027 1HE TRP2027 -0.455 -7.169 1.876 128 HE3 TRP2027 3HE TRP2027 -1.344 -2.700 -1.173 129 HZ2 TRP2027 2HZ TRP2027 1.898 -5.638 1.367 130 HZ3 TRP2027 3HZ TRP2027 1.087 -2.162 -1.028 131 HH2 TRP2027 HH TRP2027 2.687 -3.553 0.187 132 H HIS2028 H HIS2028 -6.676 -4.972 -0.571 133 HA HIS2028 HA HIS2028 -7.521 -2.767 -2.039 134 HB2 HIS2028 1HB HIS2028 -8.773 -4.333 -2.958 135 HB3 HIS2028 2HB HIS2028 -8.233 -5.478 -1.724 136 HD1 HIS2028 1HD HIS2028 -10.805 -2.615 -1.732 137 HD2 HIS2028 2HD HIS2028 -10.430 -6.643 -0.628 138 HE1 HIS2028 1HE HIS2028 -13.050 -3.291 -0.725 139 HE2 HIS2028 2HE HIS2028 -12.766 -5.781 -0.059 140 H GLU2029 H GLU2029 -8.740 -4.142 1.095 141 HA GLU2029 HA GLU2029 -10.687 -2.231 1.470 142 HB2 GLU2029 1HB GLU2029 -9.083 -3.707 3.593 143 HB3 GLU2029 2HB GLU2029 -10.676 -2.966 3.825 144 HG2 GLU2029 1HG GLU2029 -10.536 -4.845 1.543 145 HG3 GLU2029 2HG GLU2029 -10.215 -5.610 3.107 146 HE2 GLU2029 HE GLU2029 -13.600 -5.827 3.532 147 H GLY2030 H GLY2030 -7.217 -2.307 2.471 148 HA2 GLY2030 2HA GLY2030 -7.102 -0.088 4.085 149 HA3 GLY2030 3HA GLY2030 -5.811 -0.646 3.038 150 H LEU2031 H LEU2031 -6.299 -0.116 0.533 151 HA LEU2031 HA LEU2031 -6.178 2.639 0.297 152 HB2 LEU2031 1HB LEU2031 -6.955 0.667 -1.842 153 HB3 LEU2031 2HB LEU2031 -6.230 2.266 -2.070 154 HG LEU2031 HG LEU2031 -4.986 -0.318 -1.230 155 HD11 LEU2031 1HD1 LEU2031 -3.127 1.059 -2.649 156 HD12 LEU2031 2HD1 LEU2031 -4.350 -0.018 -3.365 157 HD13 LEU2031 3HD1 LEU2031 -4.631 1.740 -3.317 158 HD21 LEU2031 3HD2 LEU2031 -2.953 1.267 -0.580 159 HD22 LEU2031 1HD2 LEU2031 -4.283 2.351 -0.105 160 HD23 LEU2031 2HD2 LEU2031 -4.159 0.728 0.613 161 H GLU2032 H GLU2032 -8.937 0.393 0.295 162 HA GLU2032 HA GLU2032 -10.799 1.982 -0.907 163 HB2 GLU2032 1HB GLU2032 -10.740 -0.401 0.682 164 HB3 GLU2032 2HB GLU2032 -12.047 0.622 1.301 165 HG2 GLU2032 1HG GLU2032 -12.413 0.876 -1.406 166 HG3 GLU2032 2HG GLU2032 -11.776 -0.774 -1.320 167 HE2 GLU2032 HE GLU2032 -15.100 -1.576 -0.785 168 H GLU2033 H GLU2033 -10.000 1.758 2.636 169 HA GLU2033 HA GLU2033 -11.726 3.897 3.255 170 HB2 GLU2033 1HB GLU2033 -10.684 1.898 4.704 171 HB3 GLU2033 2HB GLU2033 -9.483 3.137 5.104 172 HG2 GLU2033 1HG GLU2033 -11.071 4.515 6.143 173 HG3 GLU2033 2HG GLU2033 -12.430 3.802 5.265 174 HE2 GLU2033 HE GLU2033 -12.280 2.579 8.739 175 H ALA2034 H ALA2034 -8.148 3.524 2.865 176 HA ALA2034 HA ALA2034 -7.377 6.045 3.640 177 HB1 ALA2034 3HB ALA2034 -5.698 4.434 3.245 178 HB2 ALA2034 1HB ALA2034 -6.323 4.046 1.625 179 HB3 ALA2034 2HB ALA2034 -5.493 5.595 1.911 180 H SER2035 H SER2035 -8.462 4.885 0.380 181 HA SER2035 HA SER2035 -8.113 7.329 -0.867 182 HB2 SER2035 1HB SER2035 -9.509 6.412 -2.642 183 HB3 SER2035 2HB SER2035 -8.432 5.143 -2.034 184 HG SER2035 HG SER2035 -11.217 5.527 -1.329 185 H ARG2036 H ARG2036 -10.893 5.869 0.901 186 HA ARG2036 HA ARG2036 -12.787 7.713 0.209 187 HB2 ARG2036 1HB ARG2036 -12.852 5.492 1.667 188 HB3 ARG2036 2HB ARG2036 -12.696 6.614 3.029 189 HG2 ARG2036 1HG ARG2036 -14.665 7.698 1.275 190 HG3 ARG2036 2HG ARG2036 -15.039 5.973 1.444 191 HD2 ARG2036 1HD ARG2036 -14.557 6.527 4.032 192 HD3 ARG2036 2HD ARG2036 -15.032 8.152 3.522 193 HE ARG2036 HE ARG2036 -17.232 7.385 3.204 194 HH11 ARG2036 2HH2 ARG2036 -15.070 4.614 3.653 195 HH12 ARG2036 1HH2 ARG2036 -16.362 3.470 3.798 196 H LEU2037 H LEU2037 -10.161 7.830 2.635 197 HA LEU2037 HA LEU2037 -11.140 10.128 3.976 198 HB2 LEU2037 1HB LEU2037 -8.401 8.877 3.864 199 HB3 LEU2037 2HB LEU2037 -8.887 10.165 4.979 200 HG LEU2037 HG LEU2037 -10.630 7.804 5.064 201 HD11 LEU2037 1HD1 LEU2037 -9.101 6.194 5.087 202 HD12 LEU2037 2HD1 LEU2037 -7.772 7.374 4.992 203 HD13 LEU2037 3HD1 LEU2037 -8.442 6.914 6.576 204 HD21 LEU2037 3HD2 LEU2037 -9.272 8.494 7.524 205 HD22 LEU2037 1HD2 LEU2037 -9.907 9.949 6.717 206 HD23 LEU2037 2HD2 LEU2037 -10.999 8.597 7.105 207 H TYR2038 H TYR2038 -8.750 9.529 1.336 208 HA TYR2038 HA TYR2038 -7.806 12.105 1.074 209 HB2 TYR2038 1HB TYR2038 -7.080 9.926 -0.056 210 HB3 TYR2038 2HB TYR2038 -8.531 10.004 -1.062 211 HD1 TYR2038 1HD TYR2038 -5.651 12.234 -0.122 212 HD2 TYR2038 2HD TYR2038 -8.232 10.797 -3.215 213 HE1 TYR2038 1HE TYR2038 -4.378 13.616 -1.833 214 HE2 TYR2038 2HE TYR2038 -6.951 12.182 -4.919 215 HH TYR2038 HH TYR2038 -4.148 14.126 -3.918 216 H PHE2039 H PHE2039 -10.555 10.544 -0.728 217 HA PHE2039 HA PHE2039 -11.271 13.017 -1.934 218 HB2 PHE2039 1HB PHE2039 -12.481 10.224 -1.596 219 HB3 PHE2039 2HB PHE2039 -13.359 11.486 -2.469 220 HD1 PHE2039 2HD PHE2039 -10.072 9.727 -2.426 221 HD2 PHE2039 1HD PHE2039 -13.012 11.723 -4.749 222 HE1 PHE2039 2HE PHE2039 -8.829 9.122 -4.522 223 HE2 PHE2039 1HE PHE2039 -11.768 11.117 -6.843 224 HZ PHE2039 HZ PHE2039 -9.691 9.824 -6.704 225 H GLY2040 H GLY2040 -12.203 11.216 0.994 226 HA2 GLY2040 2HA GLY2040 -14.670 12.204 1.592 227 HA3 GLY2040 3HA GLY2040 -13.423 11.865 2.776 228 H GLU2041 H GLU2041 -11.635 13.665 2.959 229 HA GLU2041 HA GLU2041 -12.687 16.271 2.344 230 HB2 GLU2041 1HB GLU2041 -12.010 16.824 4.885 231 HB3 GLU2041 2HB GLU2041 -13.652 16.338 4.435 232 HG2 GLU2041 1HG GLU2041 -13.236 14.057 5.104 233 HG3 GLU2041 2HG GLU2041 -11.501 14.352 5.289 234 HE2 GLU2041 HE GLU2041 -13.079 14.478 8.564 235 H ARG2042 H ARG2042 -10.583 15.162 1.047 236 HA ARG2042 HA ARG2042 -8.428 15.163 0.698 237 HB2 ARG2042 1HB ARG2042 -9.371 17.727 0.732 238 HB3 ARG2042 2HB ARG2042 -8.057 17.880 1.913 239 HG2 ARG2042 1HG ARG2042 -7.174 18.400 -0.278 240 HG3 ARG2042 2HG ARG2042 -6.508 16.829 0.200 241 HD2 ARG2042 1HD ARG2042 -7.245 16.112 -1.827 242 HD3 ARG2042 2HD ARG2042 -8.862 16.117 -1.104 243 HE ARG2042 HE ARG2042 -8.169 18.749 -2.066 244 HH11 ARG2042 2HH2 ARG2042 -9.183 15.558 -3.222 245 HH12 ARG2042 1HH2 ARG2042 -9.918 16.177 -4.664 246 H ASN2043 H ASN2043 -9.067 13.987 3.263 247 HA ASN2043 HA ASN2043 -6.975 15.011 4.984 248 HB2 ASN2043 1HB ASN2043 -9.310 13.103 5.389 249 HB3 ASN2043 2HB ASN2043 -8.026 13.237 6.600 250 HD21 ASN2043 1HD2 ASN2043 -10.243 13.810 7.654 251 HD22 ASN2043 2HD2 ASN2043 -10.593 15.501 7.792 252 H VAL2044 H VAL2044 -5.174 14.110 3.694 253 HA VAL2044 HA VAL2044 -5.093 11.418 2.904 254 HB VAL2044 HB VAL2044 -3.010 13.556 3.332 255 HG11 VAL2044 1HG1 VAL2044 -2.104 11.198 3.680 256 HG12 VAL2044 2HG1 VAL2044 -2.493 10.903 1.968 257 HG13 VAL2044 3HG1 VAL2044 -1.323 12.169 2.408 258 HG21 VAL2044 3HG2 VAL2044 -3.165 13.982 1.078 259 HG22 VAL2044 1HG2 VAL2044 -3.693 12.329 0.685 260 HG23 VAL2044 2HG2 VAL2044 -4.838 13.481 1.414 261 H LYS2045 H LYS2045 -4.694 13.017 5.985 262 HA LYS2045 HA LYS2045 -2.905 11.382 7.266 263 HB2 LYS2045 1HB LYS2045 -4.396 11.942 9.311 264 HB3 LYS2045 2HB LYS2045 -3.561 13.252 8.457 265 HG2 LYS2045 1HG LYS2045 -6.246 12.568 7.389 266 HG3 LYS2045 2HG LYS2045 -6.260 13.214 9.039 267 HD2 LYS2045 1HD LYS2045 -4.529 14.627 7.052 268 HD3 LYS2045 2HD LYS2045 -6.279 14.784 6.814 269 HE2 LYS2045 1HE LYS2045 -6.586 15.838 8.903 270 HE3 LYS2045 2HE LYS2045 -5.053 15.235 9.553 271 HZ1 LYS2045 2HZ LYS2045 -4.285 16.723 7.419 272 HZ3 LYS2045 1HZ LYS2045 -4.299 17.267 8.953 273 H GLY2046 H GLY2046 -6.385 10.846 6.532 274 HA2 GLY2046 2HA GLY2046 -6.868 8.601 8.054 275 HA3 GLY2046 3HA GLY2046 -7.601 8.956 6.503 276 H MET2047 H MET2047 -5.645 8.735 4.625 277 HA MET2047 HA MET2047 -5.372 6.021 4.339 278 HB2 MET2047 1HB MET2047 -5.245 7.438 2.404 279 HB3 MET2047 2HB MET2047 -3.960 8.435 3.110 280 HG2 MET2047 1HG MET2047 -3.458 5.492 2.651 281 HG3 MET2047 2HG MET2047 -3.410 6.583 1.264 282 HE1 MET2047 3HE MET2047 -0.857 8.819 1.461 283 HE2 MET2047 1HE MET2047 -2.617 8.914 1.708 284 HE3 MET2047 2HE MET2047 -1.508 9.410 3.009 285 H PHE2048 H PHE2048 -2.889 8.484 5.323 286 HA PHE2048 HA PHE2048 -0.736 6.822 5.556 287 HB2 PHE2048 1HB PHE2048 -1.791 9.243 7.094 288 HB3 PHE2048 2HB PHE2048 -0.216 8.556 7.505 289 HD1 PHE2048 1HD PHE2048 0.740 7.866 4.755 290 HD2 PHE2048 2HD PHE2048 -1.214 11.332 6.233 291 HE1 PHE2048 1HE PHE2048 1.796 9.237 2.938 292 HE2 PHE2048 2HE PHE2048 -0.158 12.703 4.414 293 HZ PHE2048 HZ PHE2048 1.335 11.639 2.788 294 H GLU2049 H GLU2049 -3.331 7.493 7.988 295 HA GLU2049 HA GLU2049 -2.097 5.844 9.922 296 HB2 GLU2049 1HB GLU2049 -4.163 6.207 11.210 297 HB3 GLU2049 2HB GLU2049 -3.574 7.736 10.532 298 HG2 GLU2049 1HG GLU2049 -5.256 7.739 8.837 299 HG3 GLU2049 2HG GLU2049 -5.656 6.037 9.105 300 HE2 GLU2049 HE GLU2049 -7.880 6.743 11.612 301 H VAL2050 H VAL2050 -3.936 5.247 7.075 302 HA VAL2050 HA VAL2050 -5.137 2.813 8.066 303 HB VAL2050 HB VAL2050 -5.086 4.241 5.411 304 HG11 VAL2050 1HG1 VAL2050 -5.081 1.839 4.951 305 HG12 VAL2050 2HG1 VAL2050 -6.444 1.607 6.074 306 HG13 VAL2050 3HG1 VAL2050 -6.670 2.545 4.580 307 HG21 VAL2050 3HG2 VAL2050 -6.631 4.621 7.686 308 HG22 VAL2050 1HG2 VAL2050 -7.022 5.175 6.041 309 HG23 VAL2050 2HG2 VAL2050 -7.670 3.628 6.635 310 H LEU2051 H LEU2051 -2.483 3.868 5.855 311 HA LEU2051 HA LEU2051 -1.749 1.162 5.288 312 HB2 LEU2051 1HB LEU2051 0.085 3.438 4.785 313 HB3 LEU2051 2HB LEU2051 -0.300 2.035 3.774 314 HG LEU2051 HG LEU2051 -1.733 4.657 4.057 315 HD11 LEU2051 1HD1 LEU2051 -1.131 3.012 1.591 316 HD12 LEU2051 2HD1 LEU2051 -1.606 4.724 1.684 317 HD13 LEU2051 3HD1 LEU2051 -0.008 4.209 2.276 318 HD21 LEU2051 3HD2 LEU2051 -3.341 2.954 2.456 319 HD22 LEU2051 1HD2 LEU2051 -3.067 2.123 4.007 320 HD23 LEU2051 2HD2 LEU2051 -3.760 3.764 3.987 321 H GLU2052 H GLU2052 -0.610 3.825 7.431 322 HA GLU2052 HA GLU2052 1.720 2.953 8.288 323 HB2 GLU2052 1HB GLU2052 -0.486 4.462 9.439 324 HB3 GLU2052 2HB GLU2052 0.389 3.584 10.703 325 HG2 GLU2052 1HG GLU2052 2.533 4.519 9.532 326 HG3 GLU2052 2HG GLU2052 1.432 5.666 8.755 327 HE2 GLU2052 HE GLU2052 1.899 5.826 12.750 328 HA PRO2053 HA PRO2053 -0.252 -0.307 11.110 329 HB2 PRO2053 1HB PRO2053 -2.933 -0.811 10.956 330 HB3 PRO2053 2HB PRO2053 -2.223 0.272 12.151 331 HG2 PRO2053 1HG PRO2053 -3.702 0.889 9.677 332 HG3 PRO2053 2HG PRO2053 -3.412 1.946 11.103 333 HD2 PRO2053 1HD PRO2053 -2.150 2.036 8.535 334 HD3 PRO2053 2HD PRO2053 -1.717 2.995 9.959 335 H LEU2054 H LEU2054 -2.213 -0.271 8.172 336 HA LEU2054 HA LEU2054 -2.283 -2.955 7.728 337 HB2 LEU2054 1HB LEU2054 -2.405 -0.514 6.075 338 HB3 LEU2054 2HB LEU2054 -2.082 -2.026 5.207 339 HG LEU2054 HG LEU2054 -4.192 -2.762 5.459 340 HD11 LEU2054 1HD1 LEU2054 -5.582 -2.159 7.569 341 HD12 LEU2054 2HD1 LEU2054 -4.250 -3.333 7.703 342 HD13 LEU2054 3HD1 LEU2054 -4.014 -1.655 8.248 343 HD21 LEU2054 3HD2 LEU2054 -4.196 -0.182 4.827 344 HD22 LEU2054 1HD2 LEU2054 -5.700 -1.112 5.014 345 HD23 LEU2054 2HD2 LEU2054 -5.126 -0.071 6.338 346 H HIS2055 H HIS2055 0.267 -0.642 6.562 347 HA HIS2055 HA HIS2055 1.863 -2.623 5.444 348 HB2 HIS2055 1HB HIS2055 2.488 0.139 6.494 349 HB3 HIS2055 2HB HIS2055 3.672 -0.863 5.647 350 HD1 HIS2055 1HD HIS2055 2.960 1.799 4.387 351 HD2 HIS2055 2HD HIS2055 0.844 -1.733 3.579 352 HE1 HIS2055 1HE HIS2055 1.817 2.151 2.133 353 HE2 HIS2055 2HE HIS2055 0.523 -0.053 1.682 354 H ALA2056 H ALA2056 2.025 -0.995 8.686 355 HA ALA2056 HA ALA2056 4.221 -2.321 9.660 356 HB1 ALA2056 3HB ALA2056 3.087 -1.887 11.913 357 HB2 ALA2056 1HB ALA2056 3.295 -0.470 10.852 358 HB3 ALA2056 2HB ALA2056 1.703 -1.259 10.985 359 H MET2057 H MET2057 0.726 -3.286 9.851 360 HA MET2057 HA MET2057 1.032 -5.554 11.290 361 HB2 MET2057 1HB MET2057 -1.201 -5.554 10.838 362 HB3 MET2057 2HB MET2057 -0.946 -4.319 9.592 363 HG2 MET2057 1HG MET2057 -0.559 -6.041 7.903 364 HG3 MET2057 2HG MET2057 -0.583 -7.317 9.124 365 HE1 MET2057 3HE MET2057 -3.859 -7.388 6.766 366 HE2 MET2057 1HE MET2057 -2.712 -6.101 6.321 367 HE3 MET2057 2HE MET2057 -2.110 -7.719 6.756 368 H MET2058 H MET2058 1.638 -5.032 7.790 369 HA MET2058 HA MET2058 1.942 -7.762 7.210 370 HB2 MET2058 1HB MET2058 2.875 -5.185 5.857 371 HB3 MET2058 2HB MET2058 3.087 -6.777 5.109 372 HG2 MET2058 1HG MET2058 0.336 -6.163 6.093 373 HG3 MET2058 2HG MET2058 0.886 -5.179 4.733 374 HE1 MET2058 3HE MET2058 -1.547 -7.935 3.604 375 HE2 MET2058 1HE MET2058 -1.073 -8.708 5.136 376 HE3 MET2058 2HE MET2058 -1.403 -6.959 5.084 377 H GLU2059 H GLU2059 4.080 -5.228 8.479 378 HA GLU2059 HA GLU2059 6.446 -6.682 7.892 379 HB2 GLU2059 1HB GLU2059 6.195 -4.447 9.920 380 HB3 GLU2059 2HB GLU2059 7.603 -4.876 8.935 381 HG2 GLU2059 1HG GLU2059 5.819 -4.366 6.961 382 HG3 GLU2059 2HG GLU2059 5.153 -3.305 8.211 383 HE2 GLU2059 HE GLU2059 8.572 -2.415 6.399 384 H ARG2060 H ARG2060 4.857 -5.691 11.019 385 HA ARG2060 HA ARG2060 6.389 -7.549 12.459 386 HB2 ARG2060 1HB ARG2060 4.934 -6.904 14.366 387 HB3 ARG2060 2HB ARG2060 5.488 -5.471 13.483 388 HG2 ARG2060 1HG ARG2060 3.316 -5.460 12.235 389 HG3 ARG2060 2HG ARG2060 2.767 -6.831 13.214 390 HD2 ARG2060 1HD ARG2060 3.646 -4.141 14.349 391 HD3 ARG2060 2HD ARG2060 1.958 -4.572 14.038 392 HE ARG2060 HE ARG2060 3.598 -5.440 16.272 393 HH11 ARG2060 2HH2 ARG2060 0.931 -6.461 14.174 394 HH12 ARG2060 1HH2 ARG2060 0.263 -7.549 15.346 395 H GLY2061 H GLY2061 3.463 -7.719 10.576 396 HA2 GLY2061 2HA GLY2061 2.736 -10.294 11.839 397 HA3 GLY2061 3HA GLY2061 1.608 -9.207 11.052 398 HA PRO2062 HA PRO2062 4.256 -11.348 7.723 399 HB2 PRO2062 1HB PRO2062 5.651 -13.582 8.449 400 HB3 PRO2062 2HB PRO2062 6.385 -11.983 8.324 401 HG2 PRO2062 1HG PRO2062 5.577 -13.518 10.711 402 HG3 PRO2062 2HG PRO2062 6.736 -12.147 10.598 403 HD2 PRO2062 1HD PRO2062 4.057 -12.133 11.604 404 HD3 PRO2062 2HD PRO2062 5.100 -10.726 11.366 405 H GLN2063 H GLN2063 4.499 -14.041 6.997 406 HA GLN2063 HA GLN2063 1.940 -15.122 7.789 407 HB2 GLN2063 1HB GLN2063 2.228 -13.707 5.382 408 HB3 GLN2063 2HB GLN2063 2.297 -15.409 4.896 409 HG2 GLN2063 1HG GLN2063 0.218 -15.092 6.865 410 HG3 GLN2063 2HG GLN2063 -0.001 -13.844 5.627 411 HE21 GLN2063 1HE2 GLN2063 0.527 -17.302 6.162 412 HE22 GLN2063 2HE2 GLN2063 -0.305 -17.882 4.760 413 H THR2064 H THR2064 4.474 -15.693 5.231 414 HA THR2064 HA THR2064 5.691 -17.832 6.555 415 HB THR2064 HB THR2064 3.615 -19.069 6.300 416 HG1 THR2064 1HG THR2064 4.519 -20.708 4.928 417 HG21 THR2064 3HG2 THR2064 3.745 -18.297 3.338 418 HG22 THR2064 1HG2 THR2064 2.547 -19.382 4.083 419 HG23 THR2064 2HG2 THR2064 2.561 -17.652 4.500 420 H LEU2065 H LEU2065 6.982 -19.234 4.851 421 HA LEU2065 HA LEU2065 8.598 -17.438 3.486 422 HB2 LEU2065 1HB LEU2065 8.860 -19.935 4.313 423 HB3 LEU2065 2HB LEU2065 8.466 -20.283 2.620 424 HG LEU2065 HG LEU2065 10.891 -20.228 3.085 425 HD11 LEU2065 1HD1 LEU2065 9.944 -19.684 0.842 426 HD12 LEU2065 2HD1 LEU2065 10.056 -17.958 1.263 427 HD13 LEU2065 3HD1 LEU2065 11.532 -18.946 1.163 428 HD21 LEU2065 3HD2 LEU2065 11.900 -18.629 4.250 429 HD22 LEU2065 1HD2 LEU2065 11.193 -17.346 3.239 430 HD23 LEU2065 2HD2 LEU2065 10.284 -17.986 4.630 431 H LYS2066 H LYS2066 5.596 -19.068 2.570 432 HA LYS2066 HA LYS2066 5.919 -18.756 -0.219 433 HB2 LYS2066 1HB LYS2066 4.408 -20.377 0.893 434 HB3 LYS2066 2HB LYS2066 3.362 -19.035 1.385 435 HG2 LYS2066 1HG LYS2066 2.378 -19.805 -0.612 436 HG3 LYS2066 2HG LYS2066 3.336 -18.417 -1.155 437 HD2 LYS2066 1HD LYS2066 5.153 -20.507 -1.303 438 HD3 LYS2066 2HD LYS2066 3.638 -21.298 -1.771 439 HE2 LYS2066 1HE LYS2066 3.289 -19.321 -3.382 440 HE3 LYS2066 2HE LYS2066 4.971 -18.877 -3.058 441 HZ1 LYS2066 2HZ LYS2066 4.058 -20.794 -4.851 442 HZ3 LYS2066 1HZ LYS2066 4.798 -21.634 -3.668 443 H GLU2067 H GLU2067 4.705 -16.692 2.433 444 HA GLU2067 HA GLU2067 3.785 -14.749 0.528 445 HB2 GLU2067 1HB GLU2067 3.685 -15.064 3.518 446 HB3 GLU2067 2HB GLU2067 3.430 -13.453 2.826 447 HG2 GLU2067 1HG GLU2067 1.921 -15.887 1.820 448 HG3 GLU2067 2HG GLU2067 1.344 -14.965 3.218 449 HE2 GLU2067 HE GLU2067 -0.340 -13.382 0.559 450 H THR2068 H THR2068 6.684 -15.575 2.251 451 HA THR2068 HA THR2068 7.819 -13.093 2.727 452 HB THR2068 HB THR2068 8.890 -15.867 2.057 453 HG1 THR2068 1HG THR2068 7.962 -15.527 4.154 454 HG21 THR2068 3HG2 THR2068 11.048 -14.846 3.152 455 HG22 THR2068 1HG2 THR2068 10.779 -14.538 1.419 456 HG23 THR2068 2HG2 THR2068 10.397 -13.277 2.617 457 H SER2069 H SER2069 7.482 -14.929 -0.319 458 HA SER2069 HA SER2069 9.291 -13.393 -1.757 459 HB2 SER2069 1HB SER2069 7.284 -15.445 -2.268 460 HB3 SER2069 2HB SER2069 7.294 -14.239 -3.567 461 HG SER2069 HG SER2069 9.061 -16.260 -3.073 462 H PHE2070 H PHE2070 5.820 -13.005 -0.952 463 HA PHE2070 HA PHE2070 5.368 -10.887 -2.772 464 HB2 PHE2070 1HB PHE2070 3.408 -11.954 -2.009 465 HB3 PHE2070 2HB PHE2070 4.078 -12.247 -0.401 466 HD1 PHE2070 2HD PHE2070 4.018 -10.449 1.292 467 HD2 PHE2070 1HD PHE2070 2.151 -9.991 -2.491 468 HE1 PHE2070 2HE PHE2070 2.688 -8.515 2.183 469 HE2 PHE2070 1HE PHE2070 0.822 -8.056 -1.600 470 HZ PHE2070 HZ PHE2070 1.107 -7.342 0.725 471 H ASN2071 H ASN2071 5.944 -11.018 0.814 472 HA ASN2071 HA ASN2071 5.758 -8.356 1.295 473 HB2 ASN2071 1HB ASN2071 6.600 -10.664 2.686 474 HB3 ASN2071 2HB ASN2071 7.986 -9.569 2.794 475 HD21 ASN2071 1HD2 ASN2071 6.327 -10.447 4.927 476 HD22 ASN2071 2HD2 ASN2071 5.534 -9.072 5.621 477 H GLN2072 H GLN2072 8.394 -10.302 -0.139 478 HA GLN2072 HA GLN2072 10.303 -8.202 0.068 479 HB2 GLN2072 1HB GLN2072 10.218 -11.001 -0.895 480 HB3 GLN2072 2HB GLN2072 11.345 -9.960 -1.781 481 HG2 GLN2072 1HG GLN2072 11.366 -9.723 1.196 482 HG3 GLN2072 2HG GLN2072 11.980 -11.247 0.538 483 HE21 GLN2072 1HE2 GLN2072 12.546 -7.947 1.139 484 HE22 GLN2072 2HE2 GLN2072 14.096 -7.779 0.385 485 H ALA2073 H ALA2073 8.155 -9.600 -2.466 486 HA ALA2073 HA ALA2073 9.114 -8.330 -4.683 487 HB1 ALA2073 3HB ALA2073 6.148 -8.538 -4.149 488 HB2 ALA2073 1HB ALA2073 7.050 -8.861 -5.651 489 HB3 ALA2073 2HB ALA2073 7.140 -10.010 -4.293 490 H TYR2074 H TYR2074 7.070 -7.031 -2.027 491 HA TYR2074 HA TYR2074 7.168 -4.410 -3.345 492 HB2 TYR2074 1HB TYR2074 5.552 -5.590 -1.006 493 HB3 TYR2074 2HB TYR2074 5.294 -3.975 -1.675 494 HD1 TYR2074 1HD TYR2074 4.948 -4.076 -4.393 495 HD2 TYR2074 2HD TYR2074 4.017 -7.190 -1.614 496 HE1 TYR2074 1HE TYR2074 3.268 -5.049 -6.035 497 HE2 TYR2074 2HE TYR2074 2.341 -8.155 -3.265 498 HH TYR2074 HH TYR2074 0.991 -6.638 -5.550 499 H GLY2075 H GLY2075 8.478 -6.321 -0.746 500 HA2 GLY2075 2HA GLY2075 8.904 -4.769 1.371 501 HA3 GLY2075 3HA GLY2075 10.169 -5.755 0.667 502 H ARG2076 H ARG2076 10.668 -4.432 -1.786 503 HA ARG2076 HA ARG2076 12.131 -2.224 -0.770 504 HB2 ARG2076 1HB ARG2076 12.226 -3.986 -3.052 505 HB3 ARG2076 2HB ARG2076 12.230 -2.316 -3.652 506 HG2 ARG2076 1HG ARG2076 14.160 -3.630 -1.706 507 HG3 ARG2076 2HG ARG2076 14.534 -2.931 -3.291 508 HD2 ARG2076 1HD ARG2076 13.384 -0.793 -1.953 509 HD3 ARG2076 2HD ARG2076 14.248 -1.614 -0.646 510 HE ARG2076 HE ARG2076 15.947 -1.420 -2.954 511 HH11 ARG2076 2HH2 ARG2076 14.558 0.616 -0.410 512 HH12 ARG2076 1HH2 ARG2076 15.842 1.779 -0.467 513 H ASP2077 H ASP2077 9.356 -2.791 -3.010 514 HA ASP2077 HA ASP2077 9.100 -0.280 -4.019 515 HB2 ASP2077 1HB ASP2077 7.078 -2.415 -3.280 516 HB3 ASP2077 2HB ASP2077 6.552 -0.900 -4.030 517 HD2 ASP2077 HD ASP2077 8.128 -3.802 -6.199 518 H LEU2078 H LEU2078 7.291 -1.734 -1.195 519 HA LEU2078 HA LEU2078 6.032 0.555 -0.357 520 HB2 LEU2078 1HB LEU2078 7.015 -1.849 1.162 521 HB3 LEU2078 2HB LEU2078 5.986 -0.596 1.878 522 HG LEU2078 HG LEU2078 5.333 -2.590 -0.289 523 HD11 LEU2078 1HD1 LEU2078 3.287 -2.316 1.654 524 HD12 LEU2078 2HD1 LEU2078 4.387 -3.689 1.385 525 HD13 LEU2078 3HD1 LEU2078 4.837 -2.399 2.524 526 HD21 LEU2078 3HD2 LEU2078 4.049 0.064 0.247 527 HD22 LEU2078 1HD2 LEU2078 4.357 -0.768 -1.296 528 HD23 LEU2078 2HD2 LEU2078 3.038 -1.319 -0.235 529 H MET2079 H MET2079 9.387 -0.554 0.177 530 HA MET2079 HA MET2079 10.022 1.185 2.214 531 HB2 MET2079 1HB MET2079 11.302 -0.723 0.578 532 HB3 MET2079 2HB MET2079 12.198 0.771 0.250 533 HG2 MET2079 1HG MET2079 11.845 0.745 3.048 534 HG3 MET2079 2HG MET2079 12.210 -0.935 2.640 535 HE1 MET2079 3HE MET2079 12.839 2.583 1.813 536 HE2 MET2079 1HE MET2079 14.574 2.846 2.112 537 HE3 MET2079 2HE MET2079 14.017 2.307 0.508 538 H GLU2080 H GLU2080 10.274 1.592 -1.379 539 HA GLU2080 HA GLU2080 11.429 4.116 -1.239 540 HB2 GLU2080 1HB GLU2080 11.509 2.723 -3.249 541 HB3 GLU2080 2HB GLU2080 9.749 2.828 -3.437 542 HG2 GLU2080 1HG GLU2080 9.929 4.806 -4.506 543 HG3 GLU2080 2HG GLU2080 10.912 5.494 -3.205 544 HE2 GLU2080 HE GLU2080 13.502 5.570 -5.437 545 H ALA2081 H ALA2081 7.999 3.156 -2.009 546 HA ALA2081 HA ALA2081 6.951 5.701 -2.072 547 HB1 ALA2081 3HB ALA2081 5.374 3.415 -0.917 548 HB2 ALA2081 1HB ALA2081 4.897 4.624 -2.133 549 HB3 ALA2081 2HB ALA2081 5.981 3.287 -2.586 550 H GLN2082 H GLN2082 7.547 3.488 0.711 551 HA GLN2082 HA GLN2082 6.205 4.928 2.609 552 HB2 GLN2082 1HB GLN2082 7.026 2.728 3.099 553 HB3 GLN2082 2HB GLN2082 8.705 3.204 2.794 554 HG2 GLN2082 1HG GLN2082 8.922 3.757 4.966 555 HG3 GLN2082 2HG GLN2082 7.655 4.980 4.788 556 HE21 GLN2082 1HE2 GLN2082 5.988 4.767 6.059 557 HE22 GLN2082 2HE2 GLN2082 5.387 3.310 6.776 558 H GLU2083 H GLU2083 9.561 5.307 1.345 559 HA GLU2083 HA GLU2083 10.298 7.252 3.200 560 HB2 GLU2083 1HB GLU2083 12.272 6.853 2.225 561 HB3 GLU2083 2HB GLU2083 11.470 5.885 0.978 562 HG2 GLU2083 1HG GLU2083 11.105 7.894 -0.384 563 HG3 GLU2083 2HG GLU2083 11.782 8.922 0.887 564 HE2 GLU2083 HE GLU2083 15.011 8.324 -0.071 565 H TRP2084 H TRP2084 8.614 7.353 0.048 566 HA TRP2084 HA TRP2084 8.862 10.117 -0.381 567 HB2 TRP2084 1HB TRP2084 6.961 8.005 -1.359 568 HB3 TRP2084 2HB TRP2084 6.778 9.699 -1.817 569 HD1 TRP2084 HD TRP2084 8.789 6.608 -2.670 570 HE1 TRP2084 1HE TRP2084 10.509 7.040 -4.624 571 HE3 TRP2084 3HE TRP2084 8.294 11.670 -2.691 572 HZ2 TRP2084 2HZ TRP2084 11.450 9.399 -5.928 573 HZ3 TRP2084 3HZ TRP2084 9.648 12.962 -4.337 574 HH2 TRP2084 HH TRP2084 11.185 11.907 -5.918 575 H CYS2085 H CYS2085 6.707 8.049 1.578 576 HA CYS2085 HA CYS2085 4.747 10.001 2.042 577 HB2 CYS2085 1HB CYS2085 4.097 7.791 2.434 578 HB3 CYS2085 2HB CYS2085 5.513 7.437 3.439 579 HG CYS2085 HG CYS2085 3.588 9.942 4.254 580 H ARG2086 H ARG2086 7.519 8.755 4.056 581 HA ARG2086 HA ARG2086 7.221 10.508 6.113 582 HB2 ARG2086 1HB ARG2086 9.671 9.161 4.920 583 HB3 ARG2086 2HB ARG2086 9.788 10.136 6.396 584 HG2 ARG2086 1HG ARG2086 9.043 8.399 7.615 585 HG3 ARG2086 2HG ARG2086 7.552 8.327 6.657 586 HD2 ARG2086 1HD ARG2086 8.378 6.231 6.172 587 HD3 ARG2086 2HD ARG2086 9.230 7.126 4.905 588 HE ARG2086 HE ARG2086 10.676 7.024 7.451 589 HH11 ARG2086 2HH2 ARG2086 10.093 5.336 4.390 590 HH12 ARG2086 1HH2 ARG2086 11.582 4.452 4.453 591 H LYS2087 H LYS2087 8.849 10.900 2.938 592 HA LYS2087 HA LYS2087 10.185 13.292 3.544 593 HB2 LYS2087 1HB LYS2087 10.947 12.065 1.705 594 HB3 LYS2087 2HB LYS2087 9.333 11.944 0.981 595 HG2 LYS2087 1HG LYS2087 10.001 14.730 1.361 596 HG3 LYS2087 2HG LYS2087 11.343 13.935 0.519 597 HD2 LYS2087 1HD LYS2087 8.758 13.069 -0.531 598 HD3 LYS2087 2HD LYS2087 8.910 14.832 -0.607 599 HE2 LYS2087 1HE LYS2087 9.810 14.007 -2.662 600 HE3 LYS2087 2HE LYS2087 11.222 14.433 -1.680 601 HZ1 LYS2087 2HZ LYS2087 10.604 11.795 -1.082 602 HZ3 LYS2087 1HZ LYS2087 11.873 12.316 -1.961 603 H TYR2088 H TYR2088 6.889 12.538 2.323 604 HA TYR2088 HA TYR2088 6.236 15.268 1.859 605 HB2 TYR2088 1HB TYR2088 4.996 13.596 0.666 606 HB3 TYR2088 2HB TYR2088 4.898 12.537 2.075 607 HD1 TYR2088 2HD TYR2088 3.403 13.388 4.048 608 HD2 TYR2088 1HD TYR2088 3.160 14.888 0.049 609 HE1 TYR2088 2HE TYR2088 1.054 14.248 4.505 610 HE2 TYR2088 1HE TYR2088 0.813 15.743 0.519 611 HH TYR2088 HH TYR2088 -0.367 16.417 3.137 612 H MET2089 H MET2089 5.846 12.949 4.575 613 HA MET2089 HA MET2089 4.078 14.535 6.023 614 HB2 MET2089 1HB MET2089 6.099 12.369 6.764 615 HB3 MET2089 2HB MET2089 5.014 13.076 7.975 616 HG2 MET2089 1HG MET2089 3.237 12.451 5.970 617 HG3 MET2089 2HG MET2089 4.430 11.165 5.757 618 HE1 MET2089 3HE MET2089 1.087 11.624 8.353 619 HE2 MET2089 1HE MET2089 1.468 11.782 6.622 620 HE3 MET2089 2HE MET2089 1.200 10.172 7.329 621 H LYS2090 H LYS2090 7.630 14.500 5.713 622 HA LYS2090 HA LYS2090 7.899 16.368 7.918 623 HB2 LYS2090 1HB LYS2090 9.459 14.320 7.046 624 HB3 LYS2090 2HB LYS2090 10.263 15.702 6.279 625 HG2 LYS2090 1HG LYS2090 9.496 15.607 9.223 626 HG3 LYS2090 2HG LYS2090 11.089 15.112 8.622 627 HD2 LYS2090 1HD LYS2090 11.763 17.264 8.340 628 HD3 LYS2090 2HD LYS2090 10.219 17.761 7.628 629 HE2 LYS2090 1HE LYS2090 9.244 17.712 9.978 630 HE3 LYS2090 2HE LYS2090 10.885 17.464 10.591 631 HZ1 LYS2090 2HZ LYS2090 9.713 19.883 9.972 632 HZ3 LYS2090 1HZ LYS2090 10.789 19.652 8.772 633 H SER2091 H SER2091 8.233 16.198 4.335 634 HA SER2091 HA SER2091 8.951 18.960 4.245 635 HB2 SER2091 1HB SER2091 9.700 17.041 2.658 636 HB3 SER2091 2HB SER2091 8.136 17.275 1.859 637 HG SER2091 HG SER2091 8.741 19.514 1.506 638 H GLY2092 H GLY2092 6.320 17.053 2.591 639 HA2 GLY2092 2HA GLY2092 4.030 17.514 2.825 640 HA3 GLY2092 3HA GLY2092 4.399 19.144 3.351 641 H ASN2093 H ASN2093 4.126 16.954 0.555 642 HA ASN2093 HA ASN2093 3.566 19.212 -1.083 643 HB2 ASN2093 1HB ASN2093 6.214 18.456 -1.041 644 HB3 ASN2093 2HB ASN2093 5.610 17.433 -2.354 645 HD21 ASN2093 1HD2 ASN2093 6.835 18.574 -3.853 646 HD22 ASN2093 2HD2 ASN2093 6.395 20.147 -4.426 647 H VAL2094 H VAL2094 1.797 18.496 -2.283 648 HA VAL2094 HA VAL2094 0.851 15.928 -2.230 649 HB VAL2094 HB VAL2094 -0.226 18.157 -2.925 650 HG11 VAL2094 1HG1 VAL2094 -0.264 18.759 -5.214 651 HG12 VAL2094 2HG1 VAL2094 1.450 18.468 -4.833 652 HG13 VAL2094 3HG1 VAL2094 0.513 17.237 -5.713 653 HG21 VAL2094 3HG2 VAL2094 -2.027 17.026 -3.988 654 HG22 VAL2094 1HG2 VAL2094 -0.954 15.762 -4.631 655 HG23 VAL2094 2HG2 VAL2094 -1.283 15.846 -2.884 656 H LYS2095 H LYS2095 3.135 17.482 -4.526 657 HA LYS2095 HA LYS2095 3.176 15.601 -6.503 658 HB2 LYS2095 1HB LYS2095 4.487 17.878 -6.029 659 HB3 LYS2095 2HB LYS2095 5.789 16.738 -5.640 660 HG2 LYS2095 1HG LYS2095 4.387 15.925 -8.058 661 HG3 LYS2095 2HG LYS2095 4.956 17.597 -8.215 662 HD2 LYS2095 1HD LYS2095 6.892 16.573 -8.865 663 HD3 LYS2095 2HD LYS2095 7.174 16.440 -7.119 664 HE2 LYS2095 1HE LYS2095 6.644 14.173 -7.078 665 HE3 LYS2095 2HE LYS2095 5.586 14.273 -8.495 666 HZ1 LYS2095 2HZ LYS2095 7.589 13.191 -9.163 667 HZ3 LYS2095 1HZ LYS2095 8.552 14.305 -8.466 668 H ASP2096 H ASP2096 5.093 15.619 -3.423 669 HA ASP2096 HA ASP2096 6.353 13.210 -3.955 670 HB2 ASP2096 1HB ASP2096 5.623 14.124 -1.162 671 HB3 ASP2096 2HB ASP2096 7.103 13.311 -1.695 672 HD2 ASP2096 HD ASP2096 7.579 16.922 -1.037 673 H LEU2097 H LEU2097 3.241 14.127 -2.401 674 HA LEU2097 HA LEU2097 2.662 11.632 -1.264 675 HB2 LEU2097 1HB LEU2097 1.658 13.995 -0.916 676 HB3 LEU2097 2HB LEU2097 0.561 13.537 -2.229 677 HG LEU2097 HG LEU2097 0.867 12.277 0.501 678 HD11 LEU2097 1HD1 LEU2097 -1.377 13.706 -0.933 679 HD12 LEU2097 2HD1 LEU2097 -1.628 12.731 0.534 680 HD13 LEU2097 3HD1 LEU2097 -0.564 14.155 0.585 681 HD21 LEU2097 3HD2 LEU2097 0.731 10.452 -1.097 682 HD22 LEU2097 1HD2 LEU2097 -0.793 10.595 -0.187 683 HD23 LEU2097 2HD2 LEU2097 -0.696 11.196 -1.861 684 H THR2098 H THR2098 1.806 13.122 -4.450 685 HA THR2098 HA THR2098 0.263 10.996 -5.379 686 HB THR2098 HB THR2098 2.001 13.066 -6.824 687 HG1 THR2098 1HG THR2098 -0.865 12.831 -6.245 688 HG21 THR2098 3HG2 THR2098 -0.527 11.786 -7.913 689 HG22 THR2098 1HG2 THR2098 0.771 12.622 -8.799 690 HG23 THR2098 2HG2 THR2098 1.039 10.979 -8.166 691 H GLN2099 H GLN2099 3.815 11.540 -5.465 692 HA GLN2099 HA GLN2099 4.358 9.415 -7.150 693 HB2 GLN2099 1HB GLN2099 5.800 11.383 -5.766 694 HB3 GLN2099 2HB GLN2099 6.449 9.854 -5.145 695 HG2 GLN2099 1HG GLN2099 6.094 9.664 -8.012 696 HG3 GLN2099 2HG GLN2099 7.012 11.131 -7.644 697 HE21 GLN2099 1HE2 GLN2099 8.743 10.035 -8.744 698 HE22 GLN2099 2HE2 GLN2099 9.749 8.904 -7.902 699 H ALA2100 H ALA2100 4.117 9.634 -3.550 700 HA ALA2100 HA ALA2100 4.924 7.000 -3.045 701 HB1 ALA2100 3HB ALA2100 4.580 9.129 -1.510 702 HB2 ALA2100 1HB ALA2100 2.944 8.458 -1.305 703 HB3 ALA2100 2HB ALA2100 4.367 7.494 -0.843 704 H TRP2101 H TRP2101 1.669 8.519 -3.526 705 HA TRP2101 HA TRP2101 0.216 6.166 -3.101 706 HB2 TRP2101 1HB TRP2101 -0.276 8.881 -3.825 707 HB3 TRP2101 2HB TRP2101 -1.156 7.834 -4.942 708 HD1 TRP2101 HD TRP2101 -1.857 9.564 -1.885 709 HE1 TRP2101 1HE TRP2101 -3.728 8.481 -0.371 710 HE3 TRP2101 3HE TRP2101 -1.783 5.010 -4.144 711 HZ2 TRP2101 2HZ TRP2101 -4.940 5.897 -0.292 712 HZ3 TRP2101 3HZ TRP2101 -3.343 3.263 -3.287 713 HH2 TRP2101 HH TRP2101 -4.882 3.648 -1.430 714 H ASP2102 H ASP2102 2.051 7.495 -5.839 715 HA ASP2102 HA ASP2102 0.867 5.964 -7.828 716 HB2 ASP2102 1HB ASP2102 2.854 7.898 -7.653 717 HB3 ASP2102 2HB ASP2102 3.772 6.465 -8.137 718 HD2 ASP2102 HD ASP2102 0.911 7.670 -10.678 719 H LEU2103 H LEU2103 3.872 5.534 -5.817 720 HA LEU2103 HA LEU2103 4.682 3.120 -6.912 721 HB2 LEU2103 1HB LEU2103 5.050 4.196 -4.121 722 HB3 LEU2103 2HB LEU2103 5.974 2.865 -4.841 723 HG LEU2103 HG LEU2103 5.937 5.576 -6.139 724 HD11 LEU2103 1HD1 LEU2103 7.549 4.772 -3.714 725 HD12 LEU2103 2HD1 LEU2103 8.041 6.077 -4.819 726 HD13 LEU2103 3HD1 LEU2103 6.504 6.196 -3.931 727 HD21 LEU2103 3HD2 LEU2103 8.461 4.515 -6.354 728 HD22 LEU2103 1HD2 LEU2103 7.428 3.066 -6.406 729 HD23 LEU2103 2HD2 LEU2103 7.172 4.386 -7.573 730 H TYR2104 H TYR2104 2.442 3.845 -4.173 731 HA TYR2104 HA TYR2104 2.032 1.173 -3.441 732 HB2 TYR2104 1HB TYR2104 0.409 3.780 -3.331 733 HB3 TYR2104 2HB TYR2104 -0.128 2.317 -2.498 734 HD1 TYR2104 1HD TYR2104 2.664 1.399 -1.594 735 HD2 TYR2104 2HD TYR2104 0.687 5.190 -1.435 736 HE1 TYR2104 1HE TYR2104 4.068 2.055 0.422 737 HE2 TYR2104 2HE TYR2104 2.097 5.833 0.579 738 HH TYR2104 HH TYR2104 4.822 3.981 1.536 739 H TYR2105 H TYR2105 0.227 3.384 -5.673 740 HA TYR2105 HA TYR2105 -1.916 1.808 -6.250 741 HB2 TYR2105 1HB TYR2105 -1.173 4.168 -7.050 742 HB3 TYR2105 2HB TYR2105 -0.145 3.358 -8.235 743 HD1 TYR2105 1HD TYR2105 -2.908 1.298 -7.972 744 HD2 TYR2105 2HD TYR2105 -1.809 5.142 -9.497 745 HE1 TYR2105 1HE TYR2105 -4.864 1.221 -9.597 746 HE2 TYR2105 2HE TYR2105 -3.768 5.052 -11.116 747 HH TYR2105 HH TYR2105 -5.114 3.264 -12.213 748 H HIS2106 H HIS2106 1.344 1.727 -7.848 749 HA HIS2106 HA HIS2106 0.662 -0.305 -9.633 750 HB2 HIS2106 1HB HIS2106 2.718 1.380 -9.400 751 HB3 HIS2106 2HB HIS2106 3.474 -0.044 -8.675 752 HD1 HIS2106 1HD HIS2106 2.049 1.247 -11.933 753 HD2 HIS2106 2HD HIS2106 4.099 -2.109 -10.473 754 HE1 HIS2106 1HE HIS2106 2.790 -0.084 -13.981 755 HE2 HIS2106 2HE HIS2106 4.048 -2.142 -13.027 756 H VAL2107 H VAL2107 2.089 -0.333 -6.320 757 HA VAL2107 HA VAL2107 2.596 -3.087 -6.258 758 HB VAL2107 HB VAL2107 2.309 -0.868 -4.281 759 HG11 VAL2107 1HG1 VAL2107 2.917 -2.627 -2.488 760 HG12 VAL2107 2HG1 VAL2107 1.215 -2.487 -2.987 761 HG13 VAL2107 3HG1 VAL2107 2.221 -3.812 -3.618 762 HG21 VAL2107 3HG2 VAL2107 4.445 -2.512 -5.480 763 HG22 VAL2107 1HG2 VAL2107 4.490 -0.849 -4.845 764 HG23 VAL2107 2HG2 VAL2107 4.622 -2.230 -3.730 765 H PHE2108 H PHE2108 -0.171 -1.151 -4.905 766 HA PHE2108 HA PHE2108 -1.630 -3.406 -4.131 767 HB2 PHE2108 1HB PHE2108 -2.144 -0.474 -4.779 768 HB3 PHE2108 2HB PHE2108 -3.523 -1.513 -4.409 769 HD1 PHE2108 1HD PHE2108 -0.217 -0.470 -3.036 770 HD2 PHE2108 2HD PHE2108 -4.167 -1.776 -2.198 771 HE1 PHE2108 1HE PHE2108 0.179 -0.098 -0.586 772 HE2 PHE2108 2HE PHE2108 -3.771 -1.404 0.252 773 HZ PHE2108 HZ PHE2108 -1.601 -0.570 1.028 774 H ARG2109 H ARG2109 -1.233 -1.744 -7.235 775 HA ARG2109 HA ARG2109 -3.603 -2.773 -8.348 776 HB2 ARG2109 1HB ARG2109 -2.725 -0.814 -9.372 777 HB3 ARG2109 2HB ARG2109 -1.089 -1.486 -9.485 778 HG2 ARG2109 1HG ARG2109 -1.836 -3.083 -11.188 779 HG3 ARG2109 2HG ARG2109 -3.512 -2.532 -11.024 780 HD2 ARG2109 1HD ARG2109 -1.495 -0.413 -11.602 781 HD3 ARG2109 2HD ARG2109 -1.760 -1.578 -12.907 782 HE ARG2109 HE ARG2109 -3.640 0.444 -11.931 783 HH11 ARG2109 2HH2 ARG2109 -3.357 -2.647 -13.641 784 HH12 ARG2109 1HH2 ARG2109 -4.874 -2.475 -14.461 785 H ARG2110 H ARG2110 -0.323 -3.955 -7.831 786 HA ARG2110 HA ARG2110 -0.444 -5.897 -9.884 787 HB2 ARG2110 1HB ARG2110 1.497 -4.873 -8.012 788 HB3 ARG2110 2HB ARG2110 1.471 -6.639 -7.861 789 HG2 ARG2110 1HG ARG2110 2.955 -6.472 -9.604 790 HG3 ARG2110 2HG ARG2110 1.465 -6.443 -10.563 791 HD2 ARG2110 1HD ARG2110 1.570 -3.857 -10.240 792 HD3 ARG2110 2HD ARG2110 3.249 -4.118 -9.749 793 HE ARG2110 HE ARG2110 3.784 -4.752 -11.972 794 HH11 ARG2110 2HH2 ARG2110 0.292 -4.262 -11.622 795 HH12 ARG2110 1HH2 ARG2110 -0.004 -4.264 -13.330 796 H ILE2111 H ILE2111 -0.637 -5.928 -6.251 797 HA ILE2111 HA ILE2111 -1.052 -8.650 -5.961 798 HB ILE2111 HB ILE2111 -2.358 -7.695 -3.846 799 HG12 ILE2111 1HG1 ILE2111 -0.527 -5.389 -4.229 800 HG13 ILE2111 2HG1 ILE2111 -2.062 -5.347 -5.114 801 HG21 ILE2111 1HG2 ILE2111 0.337 -7.090 -3.277 802 HG22 ILE2111 2HG2 ILE2111 -0.535 -8.612 -2.977 803 HG23 ILE2111 3HG2 ILE2111 0.358 -8.384 -4.500 804 HD11 ILE2111 3HD1 ILE2111 -3.014 -4.601 -3.199 805 HD12 ILE2111 1HD1 ILE2111 -2.749 -6.225 -2.524 806 HD13 ILE2111 2HD1 ILE2111 -1.538 -4.946 -2.264 807 H SER2112 H SER2112 -3.080 -6.201 -7.349 808 HA SER2112 HA SER2112 -5.433 -7.832 -6.913 809 HB2 SER2112 1HB SER2112 -5.210 -5.189 -6.723 810 HB3 SER2112 2HB SER2112 -5.486 -5.253 -8.473 811 HG SER2112 HG SER2112 -7.371 -6.773 -7.694 812 H LYS2113 H LYS2113 -3.397 -6.379 -9.529 813 HA LYS2113 HA LYS2113 -4.809 -7.220 -11.715 814 HB2 LYS2113 1HB LYS2113 -3.032 -5.749 -12.054 815 HB3 LYS2113 2HB LYS2113 -1.868 -6.789 -11.218 816 HG2 LYS2113 1HG LYS2113 -1.377 -7.859 -13.139 817 HG3 LYS2113 2HG LYS2113 -3.084 -8.234 -13.432 818 HD2 LYS2113 1HD LYS2113 -3.024 -6.782 -15.151 819 HD3 LYS2113 2HD LYS2113 -2.816 -5.466 -13.981 820 HE2 LYS2113 1HE LYS2113 -0.286 -6.119 -14.055 821 HE3 LYS2113 2HE LYS2113 -0.695 -6.985 -15.543 822 HZ1 LYS2113 2HZ LYS2113 -1.845 -4.460 -15.727 823 HZ3 LYS2113 1HZ LYS2113 -0.566 -5.009 -16.571 824 H GLN2114 H GLN2114 -5.049 -9.117 -12.884 825 HA GLN2114 HA GLN2114 -5.295 -11.277 -13.080 826 HB2 GLN2114 1HB GLN2114 -2.356 -10.844 -12.766 827 HB3 GLN2114 2HB GLN2114 -2.915 -12.525 -12.753 828 HG2 GLN2114 1HG GLN2114 -4.036 -12.186 -14.916 829 HG3 GLN2114 2HG GLN2114 -3.581 -10.476 -14.920 830 HE21 GLN2114 1HE2 GLN2114 -2.818 -13.525 -15.970 831 HE22 GLN2114 2HE2 GLN2114 -1.152 -13.314 -16.399 Start of MODEL 15 1 H MET2014 H MET2014 2.983 -19.664 -8.102 2 HA MET2014 HA MET2014 0.856 -19.700 -8.566 3 HB2 MET2014 1HB MET2014 1.066 -19.711 -5.601 4 HB3 MET2014 2HB MET2014 -0.541 -19.241 -6.183 5 HG2 MET2014 1HG MET2014 -1.017 -21.364 -6.849 6 HG3 MET2014 2HG MET2014 0.553 -21.565 -7.632 7 HE1 MET2014 3HE MET2014 2.762 -21.602 -4.592 8 HE2 MET2014 1HE MET2014 2.825 -23.036 -5.642 9 HE3 MET2014 2HE MET2014 2.590 -21.422 -6.354 10 H GLU2015 H GLU2015 0.199 -18.022 -9.864 11 HA GLU2015 HA GLU2015 -0.360 -15.509 -8.493 12 HB2 GLU2015 1HB GLU2015 -0.146 -14.490 -10.800 13 HB3 GLU2015 2HB GLU2015 1.356 -15.172 -10.151 14 HG2 GLU2015 1HG GLU2015 -0.303 -17.087 -11.692 15 HG3 GLU2015 2HG GLU2015 0.297 -15.727 -12.651 16 HE2 GLU2015 HE GLU2015 3.132 -17.642 -13.019 17 H LEU2016 H LEU2016 -1.775 -18.279 -9.835 18 HA LEU2016 HA LEU2016 -4.084 -16.894 -10.910 19 HB2 LEU2016 1HB LEU2016 -2.912 -19.578 -11.053 20 HB3 LEU2016 2HB LEU2016 -4.683 -19.549 -10.976 21 HG LEU2016 HG LEU2016 -3.871 -19.642 -13.275 22 HD11 LEU2016 1HD1 LEU2016 -4.860 -17.028 -13.674 23 HD12 LEU2016 2HD1 LEU2016 -5.752 -18.567 -13.744 24 HD13 LEU2016 3HD1 LEU2016 -5.662 -17.659 -12.215 25 HD21 LEU2016 3HD2 LEU2016 -1.756 -18.655 -13.269 26 HD22 LEU2016 1HD2 LEU2016 -2.761 -17.511 -14.188 27 HD23 LEU2016 2HD2 LEU2016 -2.344 -17.165 -12.492 28 H ILE2017 H ILE2017 -6.291 -18.078 -10.189 29 HA ILE2017 HA ILE2017 -7.802 -18.283 -8.595 30 HB ILE2017 HB ILE2017 -5.422 -19.543 -7.299 31 HG12 ILE2017 1HG1 ILE2017 -6.967 -20.525 -9.155 32 HG13 ILE2017 2HG1 ILE2017 -6.445 -21.544 -7.803 33 HG21 ILE2017 1HG2 ILE2017 -6.324 -18.754 -5.331 34 HG22 ILE2017 2HG2 ILE2017 -7.992 -18.791 -5.950 35 HG23 ILE2017 3HG2 ILE2017 -7.171 -20.309 -5.516 36 HD11 ILE2017 3HD1 ILE2017 -8.932 -20.017 -7.280 37 HD12 ILE2017 1HD1 ILE2017 -9.066 -21.187 -8.615 38 HD13 ILE2017 2HD1 ILE2017 -8.573 -21.736 -6.997 39 H ARG2018 H ARG2018 -8.762 -17.118 -6.836 40 HA ARG2018 HA ARG2018 -7.030 -15.156 -5.615 41 HB2 ARG2018 1HB ARG2018 -9.437 -14.592 -7.361 42 HB3 ARG2018 2HB ARG2018 -9.044 -13.473 -6.043 43 HG2 ARG2018 1HG ARG2018 -6.889 -14.346 -7.969 44 HG3 ARG2018 2HG ARG2018 -8.040 -13.097 -8.470 45 HD2 ARG2018 1HD ARG2018 -6.215 -11.899 -7.530 46 HD3 ARG2018 2HD ARG2018 -7.432 -11.903 -6.245 47 HE ARG2018 HE ARG2018 -5.995 -13.222 -4.954 48 HH11 ARG2018 2HH2 ARG2018 -4.947 -13.387 -8.334 49 HH12 ARG2018 1HH2 ARG2018 -3.504 -14.272 -7.973 50 H VAL2019 H VAL2019 -7.790 -14.453 -3.523 51 HA VAL2019 HA VAL2019 -10.272 -15.742 -2.632 52 HB VAL2019 HB VAL2019 -8.834 -17.159 -1.610 53 HG11 VAL2019 1HG1 VAL2019 -6.792 -16.320 -2.606 54 HG12 VAL2019 2HG1 VAL2019 -6.778 -14.927 -1.498 55 HG13 VAL2019 3HG1 VAL2019 -6.530 -16.573 -0.863 56 HG21 VAL2019 3HG2 VAL2019 -8.351 -16.429 0.721 57 HG22 VAL2019 1HG2 VAL2019 -8.780 -14.765 0.259 58 HG23 VAL2019 2HG2 VAL2019 -10.010 -16.050 0.197 59 HA PRO2020 HA PRO2020 -11.081 -11.704 -1.279 60 HB2 PRO2020 1HB PRO2020 -13.354 -12.187 0.158 61 HB3 PRO2020 2HB PRO2020 -13.344 -11.985 -1.593 62 HG2 PRO2020 1HG PRO2020 -13.570 -14.435 0.033 63 HG3 PRO2020 2HG PRO2020 -14.039 -14.182 -1.687 64 HD2 PRO2020 1HD PRO2020 -11.752 -15.558 -0.646 65 HD3 PRO2020 2HD PRO2020 -12.085 -15.200 -2.345 66 H ILE2021 H ILE2021 -10.589 -14.322 0.878 67 HA ILE2021 HA ILE2021 -10.105 -12.381 3.022 68 HB ILE2021 HB ILE2021 -10.116 -14.514 4.434 69 HG12 ILE2021 1HG1 ILE2021 -10.050 -15.887 2.190 70 HG13 ILE2021 2HG1 ILE2021 -10.907 -16.497 3.616 71 HG21 ILE2021 1HG2 ILE2021 -12.647 -13.512 3.103 72 HG22 ILE2021 2HG2 ILE2021 -12.579 -14.471 4.601 73 HG23 ILE2021 3HG2 ILE2021 -11.862 -12.842 4.553 74 HD11 ILE2021 3HD1 ILE2021 -13.020 -16.004 2.702 75 HD12 ILE2021 1HD1 ILE2021 -12.361 -14.779 1.593 76 HD13 ILE2021 2HD1 ILE2021 -12.100 -16.509 1.264 77 H LEU2022 H LEU2022 -8.039 -11.638 2.517 78 HA LEU2022 HA LEU2022 -5.920 -13.317 3.270 79 HB2 LEU2022 1HB LEU2022 -6.710 -13.700 0.643 80 HB3 LEU2022 2HB LEU2022 -5.305 -12.625 0.523 81 HG LEU2022 HG LEU2022 -4.556 -14.880 0.311 82 HD11 LEU2022 1HD1 LEU2022 -3.910 -13.589 2.953 83 HD12 LEU2022 2HD1 LEU2022 -3.150 -15.121 2.457 84 HD13 LEU2022 3HD1 LEU2022 -2.939 -13.658 1.464 85 HD21 LEU2022 3HD2 LEU2022 -5.938 -15.506 2.933 86 HD22 LEU2022 1HD2 LEU2022 -6.512 -15.983 1.317 87 HD23 LEU2022 2HD2 LEU2022 -4.976 -16.628 1.942 88 H TRP2023 H TRP2023 -3.860 -11.899 1.767 89 HA TRP2023 HA TRP2023 -3.799 -9.542 3.347 90 HB2 TRP2023 1HB TRP2023 -2.014 -11.013 1.543 91 HB3 TRP2023 2HB TRP2023 -1.779 -9.264 1.523 92 HD1 TRP2023 HD TRP2023 -2.847 -10.728 4.872 93 HE1 TRP2023 1HE TRP2023 -0.876 -10.716 6.627 94 HE3 TRP2023 3HE TRP2023 0.802 -9.485 1.555 95 HZ2 TRP2023 2HZ TRP2023 1.925 -10.200 6.436 96 HZ3 TRP2023 3HZ TRP2023 3.127 -9.248 2.421 97 HH2 TRP2023 HH TRP2023 3.714 -9.584 4.771 98 H HIS2024 H HIS2024 -4.080 -10.254 -0.207 99 HA HIS2024 HA HIS2024 -4.229 -7.721 -1.147 100 HB2 HIS2024 1HB HIS2024 -6.074 -9.851 -2.188 101 HB3 HIS2024 2HB HIS2024 -5.182 -8.615 -3.085 102 HD1 HIS2024 1HD HIS2024 -5.118 -12.132 -2.347 103 HD2 HIS2024 2HD HIS2024 -2.197 -9.166 -2.854 104 HE1 HIS2024 1HE HIS2024 -2.934 -13.358 -2.842 105 HE2 HIS2024 2HE HIS2024 -1.166 -11.485 -3.145 106 H GLU2025 H GLU2025 -6.512 -9.404 0.915 107 HA GLU2025 HA GLU2025 -8.745 -7.841 0.234 108 HB2 GLU2025 1HB GLU2025 -8.813 -10.089 1.343 109 HB3 GLU2025 2HB GLU2025 -8.201 -9.344 2.830 110 HG2 GLU2025 1HG GLU2025 -10.220 -7.715 2.585 111 HG3 GLU2025 2HG GLU2025 -10.866 -8.899 1.438 112 HE2 GLU2025 HE GLU2025 -12.294 -10.246 4.290 113 H MET2026 H MET2026 -6.041 -7.530 2.547 114 HA MET2026 HA MET2026 -7.241 -5.428 3.993 115 HB2 MET2026 1HB MET2026 -5.206 -5.427 5.205 116 HB3 MET2026 2HB MET2026 -5.253 -7.088 4.589 117 HG2 MET2026 1HG MET2026 -3.089 -6.479 3.990 118 HG3 MET2026 2HG MET2026 -3.948 -5.992 2.526 119 HE1 MET2026 3HE MET2026 -1.036 -3.465 3.546 120 HE2 MET2026 1HE MET2026 -1.235 -4.544 4.948 121 HE3 MET2026 2HE MET2026 -1.267 -5.211 3.299 122 H TRP2027 H TRP2027 -5.204 -5.678 1.081 123 HA TRP2027 HA TRP2027 -4.394 -2.970 1.042 124 HB2 TRP2027 1HB TRP2027 -4.565 -5.071 -1.116 125 HB3 TRP2027 2HB TRP2027 -3.851 -3.473 -1.340 126 HD1 TRP2027 HD TRP2027 -3.258 -6.658 0.833 127 HE1 TRP2027 1HE TRP2027 -0.701 -6.907 1.438 128 HE3 TRP2027 3HE TRP2027 -1.793 -2.265 -1.267 129 HZ2 TRP2027 2HZ TRP2027 1.594 -5.274 0.981 130 HZ3 TRP2027 3HZ TRP2027 0.622 -1.666 -1.144 131 HH2 TRP2027 HH TRP2027 2.294 -3.091 -0.067 132 H HIS2028 H HIS2028 -7.022 -4.875 -0.591 133 HA HIS2028 HA HIS2028 -8.107 -2.780 -2.013 134 HB2 HIS2028 1HB HIS2028 -9.144 -4.595 -2.749 135 HB3 HIS2028 2HB HIS2028 -8.838 -5.491 -1.255 136 HD1 HIS2028 1HD HIS2028 -11.245 -2.752 -2.475 137 HD2 HIS2028 2HD HIS2028 -11.134 -6.065 0.096 138 HE1 HIS2028 1HE HIS2028 -13.607 -3.019 -1.549 139 HE2 HIS2028 2HE HIS2028 -13.486 -5.071 0.031 140 H GLU2029 H GLU2029 -9.044 -4.037 1.266 141 HA GLU2029 HA GLU2029 -10.940 -2.036 1.669 142 HB2 GLU2029 1HB GLU2029 -9.438 -3.888 3.544 143 HB3 GLU2029 2HB GLU2029 -10.672 -2.761 4.130 144 HG2 GLU2029 1HG GLU2029 -11.891 -4.009 1.942 145 HG3 GLU2029 2HG GLU2029 -10.976 -5.321 2.702 146 HE2 GLU2029 HE GLU2029 -14.305 -4.070 4.324 147 H GLY2030 H GLY2030 -7.462 -2.365 2.575 148 HA2 GLY2030 2HA GLY2030 -7.199 -0.155 4.220 149 HA3 GLY2030 3HA GLY2030 -5.941 -0.837 3.208 150 H LEU2031 H LEU2031 -6.321 -0.301 0.687 151 HA LEU2031 HA LEU2031 -6.002 2.449 0.444 152 HB2 LEU2031 1HB LEU2031 -5.474 0.284 -1.063 153 HB3 LEU2031 2HB LEU2031 -6.869 0.938 -1.940 154 HG LEU2031 HG LEU2031 -5.718 3.038 -2.282 155 HD11 LEU2031 1HD1 LEU2031 -3.176 3.012 -1.598 156 HD12 LEU2031 2HD1 LEU2031 -4.431 3.537 -0.453 157 HD13 LEU2031 3HD1 LEU2031 -3.751 1.896 -0.336 158 HD21 LEU2031 3HD2 LEU2031 -3.441 1.651 -3.212 159 HD22 LEU2031 1HD2 LEU2031 -4.803 0.507 -3.295 160 HD23 LEU2031 2HD2 LEU2031 -4.914 2.083 -4.114 161 H GLU2032 H GLU2032 -8.873 0.374 0.399 162 HA GLU2032 HA GLU2032 -10.595 1.992 -0.967 163 HB2 GLU2032 1HB GLU2032 -10.745 -0.245 0.884 164 HB3 GLU2032 2HB GLU2032 -12.097 0.869 1.157 165 HG2 GLU2032 1HG GLU2032 -11.288 -0.446 -1.471 166 HG3 GLU2032 2HG GLU2032 -12.743 -0.792 -0.523 167 HE2 GLU2032 HE GLU2032 -12.878 1.978 -3.224 168 H GLU2033 H GLU2033 -9.892 1.950 2.600 169 HA GLU2033 HA GLU2033 -11.548 4.185 3.056 170 HB2 GLU2033 1HB GLU2033 -10.456 2.223 4.620 171 HB3 GLU2033 2HB GLU2033 -9.412 3.593 5.040 172 HG2 GLU2033 1HG GLU2033 -11.055 4.560 6.251 173 HG3 GLU2033 2HG GLU2033 -12.227 4.394 4.932 174 HE2 GLU2033 HE GLU2033 -13.816 2.235 7.103 175 H ALA2034 H ALA2034 -7.958 3.677 2.910 176 HA ALA2034 HA ALA2034 -7.195 6.268 3.450 177 HB1 ALA2034 3HB ALA2034 -5.367 4.910 3.403 178 HB2 ALA2034 1HB ALA2034 -6.051 3.862 2.137 179 HB3 ALA2034 2HB ALA2034 -5.285 5.408 1.697 180 H SER2035 H SER2035 -7.977 4.707 0.272 181 HA SER2035 HA SER2035 -7.429 6.905 -1.274 182 HB2 SER2035 1HB SER2035 -8.799 5.828 -2.986 183 HB3 SER2035 2HB SER2035 -7.853 4.597 -2.127 184 HG SER2035 HG SER2035 -9.788 4.155 -0.845 185 H ARG2036 H ARG2036 -10.532 5.839 0.279 186 HA ARG2036 HA ARG2036 -12.156 7.747 -0.744 187 HB2 ARG2036 1HB ARG2036 -12.264 5.797 1.299 188 HB3 ARG2036 2HB ARG2036 -12.735 7.306 2.098 189 HG2 ARG2036 1HG ARG2036 -14.550 7.649 0.584 190 HG3 ARG2036 2HG ARG2036 -13.942 6.439 -0.558 191 HD2 ARG2036 1HD ARG2036 -14.525 4.635 0.916 192 HD3 ARG2036 2HD ARG2036 -14.794 5.728 2.281 193 HE ARG2036 HE ARG2036 -16.521 6.353 0.030 194 HH11 ARG2036 2HH2 ARG2036 -16.159 4.150 2.780 195 HH12 ARG2036 1HH2 ARG2036 -17.854 3.817 2.896 196 H LEU2037 H LEU2037 -9.813 7.948 1.967 197 HA LEU2037 HA LEU2037 -10.695 10.494 2.859 198 HB2 LEU2037 1HB LEU2037 -8.141 8.960 3.311 199 HB3 LEU2037 2HB LEU2037 -8.590 10.451 4.156 200 HG LEU2037 HG LEU2037 -10.469 8.126 4.254 201 HD11 LEU2037 1HD1 LEU2037 -8.967 6.721 5.093 202 HD12 LEU2037 2HD1 LEU2037 -7.710 7.981 5.134 203 HD13 LEU2037 3HD1 LEU2037 -8.838 7.806 6.498 204 HD21 LEU2037 3HD2 LEU2037 -10.661 9.030 6.646 205 HD22 LEU2037 1HD2 LEU2037 -9.732 10.429 6.053 206 HD23 LEU2037 2HD2 LEU2037 -11.305 10.029 5.322 207 H TYR2038 H TYR2038 -8.395 9.278 0.426 208 HA TYR2038 HA TYR2038 -7.178 11.846 0.044 209 HB2 TYR2038 1HB TYR2038 -6.244 9.444 -0.333 210 HB3 TYR2038 2HB TYR2038 -7.307 9.339 -1.742 211 HD1 TYR2038 1HD TYR2038 -4.907 11.897 -0.374 212 HD2 TYR2038 2HD TYR2038 -6.164 9.571 -3.738 213 HE1 TYR2038 1HE TYR2038 -3.098 12.971 -1.801 214 HE2 TYR2038 2HE TYR2038 -4.351 10.653 -5.155 215 HH TYR2038 HH TYR2038 -2.896 13.397 -4.428 216 H PHE2039 H PHE2039 -9.306 9.709 -1.998 217 HA PHE2039 HA PHE2039 -9.776 11.836 -3.834 218 HB2 PHE2039 1HB PHE2039 -11.057 9.099 -3.281 219 HB3 PHE2039 2HB PHE2039 -11.435 10.069 -4.707 220 HD1 PHE2039 2HD PHE2039 -8.940 10.973 -5.724 221 HD2 PHE2039 1HD PHE2039 -9.821 7.262 -3.863 222 HE1 PHE2039 2HE PHE2039 -7.017 9.906 -6.938 223 HE2 PHE2039 1HE PHE2039 -7.898 6.197 -5.076 224 HZ PHE2039 HZ PHE2039 -6.522 7.533 -6.599 225 H GLY2040 H GLY2040 -11.664 10.192 -1.220 226 HA2 GLY2040 2HA GLY2040 -13.996 11.805 -1.660 227 HA3 GLY2040 3HA GLY2040 -13.698 10.682 -0.347 228 H GLU2041 H GLU2041 -10.923 12.384 -0.226 229 HA GLU2041 HA GLU2041 -10.125 13.961 1.035 230 HB2 GLU2041 1HB GLU2041 -10.960 15.712 -0.203 231 HB3 GLU2041 2HB GLU2041 -12.650 15.234 0.031 232 HG2 GLU2041 1HG GLU2041 -12.651 16.105 2.288 233 HG3 GLU2041 2HG GLU2041 -10.898 16.359 2.260 234 HE2 GLU2041 HE GLU2041 -11.144 19.263 0.350 235 H ARG2042 H ARG2042 -9.949 14.515 3.261 236 HA ARG2042 HA ARG2042 -12.011 14.663 5.016 237 HB2 ARG2042 1HB ARG2042 -12.221 12.167 4.312 238 HB3 ARG2042 2HB ARG2042 -10.752 11.899 5.268 239 HG2 ARG2042 1HG ARG2042 -13.523 12.653 6.152 240 HG3 ARG2042 2HG ARG2042 -12.392 11.498 6.880 241 HD2 ARG2042 1HD ARG2042 -10.996 13.403 7.675 242 HD3 ARG2042 2HD ARG2042 -12.150 14.545 6.968 243 HE ARG2042 HE ARG2042 -13.575 12.769 8.687 244 HH11 ARG2042 2HH2 ARG2042 -11.180 15.369 8.919 245 HH12 ARG2042 1HH2 ARG2042 -11.671 15.846 10.511 246 H ASN2043 H ASN2043 -8.790 12.995 4.689 247 HA ASN2043 HA ASN2043 -7.343 14.921 5.919 248 HB2 ASN2043 1HB ASN2043 -8.955 13.824 7.869 249 HB3 ASN2043 2HB ASN2043 -7.519 12.800 8.021 250 HD21 ASN2043 1HD2 ASN2043 -8.217 14.339 10.097 251 HD22 ASN2043 2HD2 ASN2043 -7.137 15.676 10.312 252 H VAL2044 H VAL2044 -5.573 14.265 4.655 253 HA VAL2044 HA VAL2044 -4.999 11.774 3.767 254 HB VAL2044 HB VAL2044 -3.382 14.211 4.367 255 HG11 VAL2044 1HG1 VAL2044 -1.355 13.184 3.465 256 HG12 VAL2044 2HG1 VAL2044 -1.881 12.336 4.938 257 HG13 VAL2044 3HG1 VAL2044 -2.184 11.616 3.339 258 HG21 VAL2044 3HG2 VAL2044 -4.887 13.298 2.202 259 HG22 VAL2044 1HG2 VAL2044 -3.741 14.659 2.207 260 HG23 VAL2044 2HG2 VAL2044 -3.198 13.041 1.706 261 H LYS2045 H LYS2045 -4.448 13.142 7.003 262 HA LYS2045 HA LYS2045 -2.566 11.390 7.964 263 HB2 LYS2045 1HB LYS2045 -3.221 12.073 10.103 264 HB3 LYS2045 2HB LYS2045 -3.567 13.460 9.056 265 HG2 LYS2045 1HG LYS2045 -5.612 13.403 10.047 266 HG3 LYS2045 2HG LYS2045 -5.947 12.075 8.924 267 HD2 LYS2045 1HD LYS2045 -6.340 10.799 10.743 268 HD3 LYS2045 2HD LYS2045 -4.598 10.843 11.061 269 HE2 LYS2045 1HE LYS2045 -4.833 12.705 12.558 270 HE3 LYS2045 2HE LYS2045 -6.494 13.023 12.034 271 HZ1 LYS2045 2HZ LYS2045 -5.546 10.675 13.586 272 HZ3 LYS2045 1HZ LYS2045 -7.054 10.792 12.985 273 H GLY2046 H GLY2046 -6.071 10.936 7.411 274 HA2 GLY2046 2HA GLY2046 -6.433 8.570 8.844 275 HA3 GLY2046 3HA GLY2046 -7.359 9.096 7.452 276 H MET2047 H MET2047 -5.660 9.060 5.318 277 HA MET2047 HA MET2047 -5.547 6.432 4.640 278 HB2 MET2047 1HB MET2047 -5.433 8.083 2.914 279 HB3 MET2047 2HB MET2047 -4.071 8.921 3.675 280 HG2 MET2047 1HG MET2047 -3.731 6.059 2.769 281 HG3 MET2047 2HG MET2047 -3.689 7.346 1.560 282 HE1 MET2047 3HE MET2047 -0.943 9.581 2.416 283 HE2 MET2047 1HE MET2047 -2.721 9.564 2.314 284 HE3 MET2047 2HE MET2047 -1.921 9.718 3.898 285 H PHE2048 H PHE2048 -2.887 8.535 5.918 286 HA PHE2048 HA PHE2048 -0.894 6.586 5.737 287 HB2 PHE2048 1HB PHE2048 -1.442 9.052 7.466 288 HB3 PHE2048 2HB PHE2048 0.076 8.164 7.619 289 HD1 PHE2048 2HD PHE2048 0.633 7.530 4.781 290 HD2 PHE2048 1HD PHE2048 -0.816 11.096 6.565 291 HE1 PHE2048 2HE PHE2048 1.590 8.865 2.885 292 HE2 PHE2048 1HE PHE2048 0.142 12.434 4.667 293 HZ PHE2048 HZ PHE2048 1.335 11.302 2.850 294 H GLU2049 H GLU2049 -3.342 7.342 8.244 295 HA GLU2049 HA GLU2049 -2.126 5.676 10.171 296 HB2 GLU2049 1HB GLU2049 -4.967 6.758 10.010 297 HB3 GLU2049 2HB GLU2049 -4.217 6.055 11.456 298 HG2 GLU2049 1HG GLU2049 -2.616 8.202 10.211 299 HG3 GLU2049 2HG GLU2049 -4.208 8.754 10.759 300 HE2 GLU2049 HE GLU2049 -1.395 7.713 13.381 301 H VAL2050 H VAL2050 -3.969 5.102 7.324 302 HA VAL2050 HA VAL2050 -5.220 2.693 8.303 303 HB VAL2050 HB VAL2050 -5.655 4.533 6.237 304 HG11 VAL2050 1HG1 VAL2050 -4.091 3.291 4.812 305 HG12 VAL2050 2HG1 VAL2050 -5.004 1.792 5.101 306 HG13 VAL2050 3HG1 VAL2050 -5.761 3.138 4.216 307 HG21 VAL2050 3HG2 VAL2050 -7.141 1.954 6.185 308 HG22 VAL2050 1HG2 VAL2050 -7.139 2.848 7.724 309 HG23 VAL2050 2HG2 VAL2050 -7.743 3.627 6.243 310 H LEU2051 H LEU2051 -2.491 3.676 6.149 311 HA LEU2051 HA LEU2051 -1.799 0.950 5.624 312 HB2 LEU2051 1HB LEU2051 -0.398 3.558 5.068 313 HB3 LEU2051 2HB LEU2051 0.155 1.973 4.498 314 HG LEU2051 HG LEU2051 -0.970 2.496 2.636 315 HD11 LEU2051 1HD1 LEU2051 -2.408 0.767 3.174 316 HD12 LEU2051 2HD1 LEU2051 -3.153 1.659 4.522 317 HD13 LEU2051 3HD1 LEU2051 -3.535 2.105 2.842 318 HD21 LEU2051 3HD2 LEU2051 -3.142 4.213 3.397 319 HD22 LEU2051 1HD2 LEU2051 -1.634 4.784 4.152 320 HD23 LEU2051 2HD2 LEU2051 -1.719 4.566 2.387 321 H GLU2052 H GLU2052 -0.561 3.641 7.694 322 HA GLU2052 HA GLU2052 1.697 2.731 8.632 323 HB2 GLU2052 1HB GLU2052 -0.515 4.273 9.741 324 HB3 GLU2052 2HB GLU2052 0.350 3.403 11.020 325 HG2 GLU2052 1HG GLU2052 2.030 4.769 8.960 326 HG3 GLU2052 2HG GLU2052 1.133 5.831 10.053 327 HE2 GLU2052 HE GLU2052 3.316 5.282 12.612 328 HA PRO2053 HA PRO2053 -0.376 -0.476 11.442 329 HB2 PRO2053 1HB PRO2053 -3.058 -0.954 11.226 330 HB3 PRO2053 2HB PRO2053 -2.367 0.132 12.429 331 HG2 PRO2053 1HG PRO2053 -3.777 0.739 9.909 332 HG3 PRO2053 2HG PRO2053 -3.512 1.808 11.333 333 HD2 PRO2053 1HD PRO2053 -2.183 1.860 8.798 334 HD3 PRO2053 2HD PRO2053 -1.778 2.828 10.221 335 H LEU2054 H LEU2054 -2.281 -0.460 8.464 336 HA LEU2054 HA LEU2054 -2.319 -3.162 8.060 337 HB2 LEU2054 1HB LEU2054 -2.254 -0.823 6.179 338 HB3 LEU2054 2HB LEU2054 -2.398 -2.490 5.593 339 HG LEU2054 HG LEU2054 -4.315 -1.194 7.546 340 HD11 LEU2054 1HD1 LEU2054 -5.826 -0.794 5.732 341 HD12 LEU2054 2HD1 LEU2054 -4.266 -0.038 5.333 342 HD13 LEU2054 3HD1 LEU2054 -4.730 -1.579 4.572 343 HD21 LEU2054 3HD2 LEU2054 -4.013 -3.776 7.357 344 HD22 LEU2054 1HD2 LEU2054 -5.647 -3.073 7.372 345 HD23 LEU2054 2HD2 LEU2054 -4.915 -3.587 5.833 346 H HIS2055 H HIS2055 0.155 -0.808 6.810 347 HA HIS2055 HA HIS2055 1.789 -2.742 5.695 348 HB2 HIS2055 1HB HIS2055 2.254 0.054 6.700 349 HB3 HIS2055 2HB HIS2055 3.578 -0.909 6.036 350 HD1 HIS2055 1HD HIS2055 3.550 1.139 4.210 351 HD2 HIS2055 2HD HIS2055 0.342 -1.558 4.095 352 HE1 HIS2055 1HE HIS2055 2.444 1.442 1.930 353 HE2 HIS2055 2HE HIS2055 0.472 -0.240 1.909 354 H ALA2056 H ALA2056 1.940 -1.150 8.954 355 HA ALA2056 HA ALA2056 4.168 -2.439 9.901 356 HB1 ALA2056 3HB ALA2056 1.630 -1.471 11.261 357 HB2 ALA2056 1HB ALA2056 3.051 -2.055 12.162 358 HB3 ALA2056 2HB ALA2056 3.188 -0.622 11.115 359 H MET2057 H MET2057 0.706 -3.507 9.991 360 HA MET2057 HA MET2057 1.048 -5.778 11.437 361 HB2 MET2057 1HB MET2057 -1.174 -5.846 10.941 362 HB3 MET2057 2HB MET2057 -0.937 -4.578 9.725 363 HG2 MET2057 1HG MET2057 -0.345 -6.332 8.051 364 HG3 MET2057 2HG MET2057 -0.608 -7.585 9.268 365 HE1 MET2057 3HE MET2057 -2.770 -6.193 6.211 366 HE2 MET2057 1HE MET2057 -1.611 -7.482 6.616 367 HE3 MET2057 2HE MET2057 -3.359 -7.815 6.647 368 H MET2058 H MET2058 1.722 -5.194 7.962 369 HA MET2058 HA MET2058 2.104 -7.908 7.352 370 HB2 MET2058 1HB MET2058 3.134 -5.349 6.021 371 HB3 MET2058 2HB MET2058 3.143 -6.947 5.253 372 HG2 MET2058 1HG MET2058 0.492 -6.331 6.292 373 HG3 MET2058 2HG MET2058 1.045 -5.023 5.242 374 HE1 MET2058 3HE MET2058 -1.059 -8.301 4.845 375 HE2 MET2058 1HE MET2058 -1.334 -6.542 4.871 376 HE3 MET2058 2HE MET2058 -1.401 -7.431 3.329 377 H GLU2059 H GLU2059 4.203 -5.271 8.544 378 HA GLU2059 HA GLU2059 6.609 -6.608 8.011 379 HB2 GLU2059 1HB GLU2059 6.137 -4.523 10.167 380 HB3 GLU2059 2HB GLU2059 7.649 -4.855 9.303 381 HG2 GLU2059 1HG GLU2059 5.139 -3.481 8.326 382 HG3 GLU2059 2HG GLU2059 6.815 -2.923 8.224 383 HE2 GLU2059 HE GLU2059 7.489 -4.906 5.409 384 H ARG2060 H ARG2060 4.922 -5.956 11.176 385 HA ARG2060 HA ARG2060 6.528 -7.828 12.504 386 HB2 ARG2060 1HB ARG2060 4.961 -7.449 14.406 387 HB3 ARG2060 2HB ARG2060 5.484 -5.920 13.682 388 HG2 ARG2060 1HG ARG2060 3.337 -6.074 12.250 389 HG3 ARG2060 2HG ARG2060 2.810 -7.342 13.371 390 HD2 ARG2060 1HD ARG2060 3.190 -5.699 15.265 391 HD3 ARG2060 2HD ARG2060 3.500 -4.444 14.054 392 HE ARG2060 HE ARG2060 1.033 -5.653 13.381 393 HH11 ARG2060 2HH2 ARG2060 2.362 -3.762 16.067 394 HH12 ARG2060 1HH2 ARG2060 0.833 -3.073 16.499 395 H GLY2061 H GLY2061 3.335 -7.887 10.899 396 HA2 GLY2061 2HA GLY2061 3.060 -10.742 11.628 397 HA3 GLY2061 3HA GLY2061 1.719 -9.648 11.353 398 HA PRO2062 HA PRO2062 3.742 -10.571 7.150 399 HB2 PRO2062 1HB PRO2062 5.604 -12.562 7.001 400 HB3 PRO2062 2HB PRO2062 6.026 -10.856 7.122 401 HG2 PRO2062 1HG PRO2062 6.087 -12.975 9.173 402 HG3 PRO2062 2HG PRO2062 6.954 -11.396 9.163 403 HD2 PRO2062 1HD PRO2062 4.641 -12.145 10.675 404 HD3 PRO2062 2HD PRO2062 5.360 -10.532 10.577 405 H GLN2063 H GLN2063 4.582 -13.846 7.786 406 HA GLN2063 HA GLN2063 2.094 -14.934 7.974 407 HB2 GLN2063 1HB GLN2063 2.583 -13.900 5.329 408 HB3 GLN2063 2HB GLN2063 2.489 -15.667 5.238 409 HG2 GLN2063 1HG GLN2063 0.442 -14.256 6.912 410 HG3 GLN2063 2HG GLN2063 0.301 -14.074 5.156 411 HE21 GLN2063 1HE2 GLN2063 -1.645 -15.305 6.633 412 HE22 GLN2063 2HE2 GLN2063 -1.705 -17.002 6.285 413 H THR2064 H THR2064 4.788 -15.578 5.608 414 HA THR2064 HA THR2064 6.177 -17.355 7.242 415 HB THR2064 HB THR2064 4.172 -18.779 7.147 416 HG1 THR2064 1HG THR2064 5.978 -19.720 5.065 417 HG21 THR2064 3HG2 THR2064 3.820 -19.734 4.645 418 HG22 THR2064 1HG2 THR2064 2.891 -18.336 5.236 419 HG23 THR2064 2HG2 THR2064 4.325 -18.082 4.213 420 H LEU2065 H LEU2065 7.592 -18.909 5.740 421 HA LEU2065 HA LEU2065 9.180 -17.276 4.243 422 HB2 LEU2065 1HB LEU2065 9.291 -19.801 5.119 423 HB3 LEU2065 2HB LEU2065 9.002 -20.107 3.397 424 HG LEU2065 HG LEU2065 11.393 -20.133 4.037 425 HD11 LEU2065 1HD1 LEU2065 11.409 -17.784 2.298 426 HD12 LEU2065 2HD1 LEU2065 11.939 -19.453 1.985 427 HD13 LEU2065 3HD1 LEU2065 10.225 -19.015 1.800 428 HD21 LEU2065 3HD2 LEU2065 10.735 -17.859 5.532 429 HD22 LEU2065 1HD2 LEU2065 12.348 -18.576 5.300 430 HD23 LEU2065 2HD2 LEU2065 11.790 -17.271 4.224 431 H LYS2066 H LYS2066 6.099 -18.749 3.397 432 HA LYS2066 HA LYS2066 6.433 -18.567 0.590 433 HB2 LYS2066 1HB LYS2066 4.855 -20.085 1.734 434 HB3 LYS2066 2HB LYS2066 3.883 -18.688 2.225 435 HG2 LYS2066 1HG LYS2066 2.995 -18.438 0.144 436 HG3 LYS2066 2HG LYS2066 4.536 -18.755 -0.668 437 HD2 LYS2066 1HD LYS2066 2.825 -20.913 0.631 438 HD3 LYS2066 2HD LYS2066 2.707 -20.485 -1.086 439 HE2 LYS2066 1HE LYS2066 4.384 -21.947 -1.472 440 HE3 LYS2066 2HE LYS2066 5.474 -20.860 -0.597 441 HZ1 LYS2066 2HZ LYS2066 4.474 -23.392 0.212 442 HZ3 LYS2066 1HZ LYS2066 4.084 -22.277 1.331 443 H GLU2067 H GLU2067 4.751 -16.500 3.055 444 HA GLU2067 HA GLU2067 4.141 -14.547 1.114 445 HB2 GLU2067 1HB GLU2067 3.854 -14.869 4.067 446 HB3 GLU2067 2HB GLU2067 3.833 -13.207 3.455 447 HG2 GLU2067 1HG GLU2067 2.081 -15.471 2.408 448 HG3 GLU2067 2HG GLU2067 1.547 -14.274 3.596 449 HE2 GLU2067 HE GLU2067 0.682 -13.260 0.157 450 H THR2068 H THR2068 6.967 -15.354 2.970 451 HA THR2068 HA THR2068 8.124 -12.874 3.394 452 HB THR2068 HB THR2068 9.142 -15.696 2.897 453 HG1 THR2068 1HG THR2068 8.486 -15.431 5.019 454 HG21 THR2068 3HG2 THR2068 10.957 -14.155 2.108 455 HG22 THR2068 1HG2 THR2068 10.801 -13.222 3.616 456 HG23 THR2068 2HG2 THR2068 11.379 -14.905 3.667 457 H SER2069 H SER2069 7.810 -14.785 0.402 458 HA SER2069 HA SER2069 9.675 -13.192 -0.993 459 HB2 SER2069 1HB SER2069 8.707 -15.619 -1.453 460 HB3 SER2069 2HB SER2069 7.495 -14.733 -2.396 461 HG SER2069 HG SER2069 10.268 -15.115 -2.862 462 H PHE2070 H PHE2070 6.149 -13.152 -0.406 463 HA PHE2070 HA PHE2070 5.500 -11.314 -2.426 464 HB2 PHE2070 1HB PHE2070 3.862 -12.756 -1.266 465 HB3 PHE2070 2HB PHE2070 4.312 -12.080 0.304 466 HD1 PHE2070 2HD PHE2070 3.929 -9.488 0.531 467 HD2 PHE2070 1HD PHE2070 1.993 -11.948 -2.335 468 HE1 PHE2070 2HE PHE2070 2.098 -7.786 0.305 469 HE2 PHE2070 1HE PHE2070 0.162 -10.246 -2.559 470 HZ PHE2070 HZ PHE2070 0.237 -8.185 -1.237 471 H ASN2071 H ASN2071 6.028 -10.891 1.149 472 HA ASN2071 HA ASN2071 5.635 -8.193 1.194 473 HB2 ASN2071 1HB ASN2071 5.825 -9.375 3.273 474 HB3 ASN2071 2HB ASN2071 7.411 -10.039 2.853 475 HD21 ASN2071 1HD2 ASN2071 5.802 -7.791 4.637 476 HD22 ASN2071 2HD2 ASN2071 7.055 -6.629 4.924 477 H GLN2072 H GLN2072 8.407 -10.168 0.142 478 HA GLN2072 HA GLN2072 10.270 -8.043 0.208 479 HB2 GLN2072 1HB GLN2072 10.210 -10.866 -0.800 480 HB3 GLN2072 2HB GLN2072 11.472 -9.796 -1.435 481 HG2 GLN2072 1HG GLN2072 11.408 -9.328 1.354 482 HG3 GLN2072 2HG GLN2072 11.265 -11.084 1.181 483 HE21 GLN2072 1HE2 GLN2072 13.313 -11.365 2.069 484 HE22 GLN2072 2HE2 GLN2072 14.770 -11.059 1.183 485 H ALA2073 H ALA2073 8.006 -9.429 -2.185 486 HA ALA2073 HA ALA2073 9.045 -8.310 -4.490 487 HB1 ALA2073 3HB ALA2073 6.073 -8.452 -4.058 488 HB2 ALA2073 1HB ALA2073 7.050 -8.984 -5.448 489 HB3 ALA2073 2HB ALA2073 7.019 -9.956 -3.959 490 H TYR2074 H TYR2074 6.745 -6.950 -2.048 491 HA TYR2074 HA TYR2074 6.829 -4.396 -3.445 492 HB2 TYR2074 1HB TYR2074 5.450 -5.264 -0.841 493 HB3 TYR2074 2HB TYR2074 4.972 -3.914 -1.878 494 HD1 TYR2074 2HD TYR2074 3.957 -4.418 -4.140 495 HD2 TYR2074 1HD TYR2074 4.625 -7.454 -1.202 496 HE1 TYR2074 2HE TYR2074 2.323 -5.950 -5.342 497 HE2 TYR2074 1HE TYR2074 2.988 -8.976 -2.414 498 HH TYR2074 HH TYR2074 1.747 -8.154 -5.551 499 H GLY2075 H GLY2075 8.327 -6.084 -0.775 500 HA2 GLY2075 2HA GLY2075 8.845 -4.318 1.160 501 HA3 GLY2075 3HA GLY2075 10.066 -5.394 0.514 502 H ARG2076 H ARG2076 10.317 -4.281 -2.144 503 HA ARG2076 HA ARG2076 11.952 -2.066 -1.446 504 HB2 ARG2076 1HB ARG2076 12.840 -3.585 -3.078 505 HB3 ARG2076 2HB ARG2076 11.363 -3.535 -4.056 506 HG2 ARG2076 1HG ARG2076 13.086 -2.195 -5.134 507 HG3 ARG2076 2HG ARG2076 11.826 -1.106 -4.531 508 HD2 ARG2076 1HD ARG2076 13.498 0.035 -3.516 509 HD3 ARG2076 2HD ARG2076 13.607 -1.313 -2.375 510 HE ARG2076 HE ARG2076 15.096 -1.832 -4.815 511 HH11 ARG2076 2HH2 ARG2076 15.263 -0.125 -1.715 512 HH12 ARG2076 1HH2 ARG2076 16.996 -0.132 -1.664 513 H ASP2077 H ASP2077 9.181 -2.647 -3.740 514 HA ASP2077 HA ASP2077 8.878 -0.143 -4.670 515 HB2 ASP2077 1HB ASP2077 6.823 -2.253 -3.926 516 HB3 ASP2077 2HB ASP2077 6.352 -0.756 -4.746 517 HD2 ASP2077 HD ASP2077 8.042 -3.733 -6.749 518 H LEU2078 H LEU2078 7.107 -1.624 -1.838 519 HA LEU2078 HA LEU2078 5.810 0.645 -0.993 520 HB2 LEU2078 1HB LEU2078 6.721 -1.878 0.299 521 HB3 LEU2078 2HB LEU2078 6.066 -0.585 1.317 522 HG LEU2078 HG LEU2078 4.702 -2.203 -0.830 523 HD11 LEU2078 1HD1 LEU2078 4.055 -3.330 0.978 524 HD12 LEU2078 2HD1 LEU2078 4.656 -2.070 2.081 525 HD13 LEU2078 3HD1 LEU2078 3.033 -1.926 1.366 526 HD21 LEU2078 3HD2 LEU2078 3.891 -0.160 -1.505 527 HD22 LEU2078 1HD2 LEU2078 2.706 -0.600 -0.253 528 HD23 LEU2078 2HD2 LEU2078 4.011 0.554 0.122 529 H MET2079 H MET2079 9.184 -0.425 -0.450 530 HA MET2079 HA MET2079 9.823 1.296 1.579 531 HB2 MET2079 1HB MET2079 11.120 -0.505 -0.186 532 HB3 MET2079 2HB MET2079 11.976 1.030 -0.417 533 HG2 MET2079 1HG MET2079 12.939 0.914 1.650 534 HG3 MET2079 2HG MET2079 11.436 0.407 2.426 535 HE1 MET2079 3HE MET2079 11.005 -2.795 2.622 536 HE2 MET2079 1HE MET2079 12.403 -2.592 3.708 537 HE3 MET2079 2HE MET2079 11.237 -1.263 3.500 538 H GLU2080 H GLU2080 9.964 1.816 -2.006 539 HA GLU2080 HA GLU2080 11.054 4.364 -1.830 540 HB2 GLU2080 1HB GLU2080 11.029 2.953 -3.874 541 HB3 GLU2080 2HB GLU2080 9.280 3.193 -4.019 542 HG2 GLU2080 1HG GLU2080 9.583 5.583 -4.344 543 HG3 GLU2080 2HG GLU2080 11.310 5.472 -3.979 544 HE2 GLU2080 HE GLU2080 10.366 5.284 -7.645 545 H ALA2081 H ALA2081 7.619 3.275 -2.331 546 HA ALA2081 HA ALA2081 6.501 5.816 -2.334 547 HB1 ALA2081 3HB ALA2081 5.523 3.497 -2.961 548 HB2 ALA2081 1HB ALA2081 5.133 3.351 -1.231 549 HB3 ALA2081 2HB ALA2081 4.439 4.681 -2.192 550 H GLN2082 H GLN2082 7.307 3.547 0.346 551 HA GLN2082 HA GLN2082 6.023 4.962 2.337 552 HB2 GLN2082 1HB GLN2082 6.817 2.685 2.656 553 HB3 GLN2082 2HB GLN2082 8.503 3.190 2.448 554 HG2 GLN2082 1HG GLN2082 8.624 3.600 4.659 555 HG3 GLN2082 2HG GLN2082 7.374 4.843 4.496 556 HE21 GLN2082 1HE2 GLN2082 5.144 4.173 4.598 557 HE22 GLN2082 2HE2 GLN2082 4.674 2.825 5.580 558 H GLU2083 H GLU2083 9.181 5.417 0.744 559 HA GLU2083 HA GLU2083 10.182 7.180 2.689 560 HB2 GLU2083 1HB GLU2083 12.038 6.776 1.504 561 HB3 GLU2083 2HB GLU2083 11.086 5.960 0.251 562 HG2 GLU2083 1HG GLU2083 10.689 8.101 -0.878 563 HG3 GLU2083 2HG GLU2083 11.513 8.981 0.419 564 HE2 GLU2083 HE GLU2083 13.610 7.769 -2.567 565 H TRP2084 H TRP2084 8.272 7.536 -0.326 566 HA TRP2084 HA TRP2084 8.499 10.365 -0.414 567 HB2 TRP2084 1HB TRP2084 6.603 8.419 -1.723 568 HB3 TRP2084 2HB TRP2084 6.607 10.154 -2.039 569 HD1 TRP2084 HD TRP2084 8.296 6.981 -3.132 570 HE1 TRP2084 1HE TRP2084 10.226 7.407 -4.880 571 HE3 TRP2084 3HE TRP2084 8.486 12.021 -2.486 572 HZ2 TRP2084 2HZ TRP2084 11.584 9.751 -5.778 573 HZ3 TRP2084 3HZ TRP2084 10.142 13.304 -3.837 574 HH2 TRP2084 HH TRP2084 11.658 12.248 -5.438 575 H CYS2085 H CYS2085 6.612 8.005 1.384 576 HA CYS2085 HA CYS2085 4.447 9.746 1.955 577 HB2 CYS2085 1HB CYS2085 5.354 7.065 2.928 578 HB3 CYS2085 2HB CYS2085 4.129 7.948 3.854 579 HG CYS2085 HG CYS2085 3.577 8.273 0.768 580 H ARG2086 H ARG2086 7.225 8.408 3.902 581 HA ARG2086 HA ARG2086 6.757 10.114 6.044 582 HB2 ARG2086 1HB ARG2086 8.941 9.351 6.864 583 HB3 ARG2086 2HB ARG2086 8.080 7.976 6.149 584 HG2 ARG2086 1HG ARG2086 9.425 8.941 3.966 585 HG3 ARG2086 2HG ARG2086 10.566 9.358 5.257 586 HD2 ARG2086 1HD ARG2086 10.180 6.888 6.051 587 HD3 ARG2086 2HD ARG2086 9.540 6.624 4.424 588 HE ARG2086 HE ARG2086 11.738 6.626 3.661 589 HH11 ARG2086 2HH2 ARG2086 11.619 8.515 6.656 590 HH12 ARG2086 1HH2 ARG2086 13.325 8.808 6.685 591 H LYS2087 H LYS2087 8.472 10.466 2.974 592 HA LYS2087 HA LYS2087 10.160 12.592 3.743 593 HB2 LYS2087 1HB LYS2087 10.762 11.331 1.851 594 HB3 LYS2087 2HB LYS2087 9.179 11.546 1.082 595 HG2 LYS2087 1HG LYS2087 10.595 14.065 1.762 596 HG3 LYS2087 2HG LYS2087 11.420 13.072 0.548 597 HD2 LYS2087 1HD LYS2087 8.707 13.015 -0.200 598 HD3 LYS2087 2HD LYS2087 8.986 14.691 0.307 599 HE2 LYS2087 1HE LYS2087 10.836 13.210 -1.600 600 HE3 LYS2087 2HE LYS2087 9.442 14.140 -2.170 601 HZ1 LYS2087 2HZ LYS2087 11.977 15.099 -1.390 602 HZ3 LYS2087 1HZ LYS2087 10.864 15.759 -0.400 603 H TYR2088 H TYR2088 6.902 12.423 2.172 604 HA TYR2088 HA TYR2088 6.630 15.219 1.944 605 HB2 TYR2088 1HB TYR2088 5.215 13.832 0.603 606 HB3 TYR2088 2HB TYR2088 4.929 12.690 1.921 607 HD1 TYR2088 1HD TYR2088 3.960 15.958 0.484 608 HD2 TYR2088 2HD TYR2088 3.106 13.013 3.467 609 HE1 TYR2088 1HE TYR2088 1.723 17.072 0.955 610 HE2 TYR2088 2HE TYR2088 0.873 14.136 3.928 611 HH TYR2088 HH TYR2088 0.115 16.892 3.463 612 H MET2089 H MET2089 5.900 12.851 4.529 613 HA MET2089 HA MET2089 4.279 14.608 5.996 614 HB2 MET2089 1HB MET2089 5.800 12.035 6.533 615 HB3 MET2089 2HB MET2089 5.021 12.877 7.885 616 HG2 MET2089 1HG MET2089 2.951 12.876 6.145 617 HG3 MET2089 2HG MET2089 3.793 11.444 5.544 618 HE1 MET2089 3HE MET2089 1.174 12.448 8.576 619 HE2 MET2089 1HE MET2089 1.096 12.206 6.815 620 HE3 MET2089 2HE MET2089 0.636 10.885 7.916 621 H LYS2090 H LYS2090 7.790 13.939 5.876 622 HA LYS2090 HA LYS2090 8.412 15.306 8.268 623 HB2 LYS2090 1HB LYS2090 9.736 13.569 6.791 624 HB3 LYS2090 2HB LYS2090 10.388 15.034 6.037 625 HG2 LYS2090 1HG LYS2090 10.323 14.615 9.047 626 HG3 LYS2090 2HG LYS2090 11.691 14.088 8.051 627 HD2 LYS2090 1HD LYS2090 12.453 16.215 7.773 628 HD3 LYS2090 2HD LYS2090 10.826 16.886 7.561 629 HE2 LYS2090 1HE LYS2090 10.503 16.612 10.069 630 HE3 LYS2090 2HE LYS2090 12.218 16.189 10.188 631 HZ1 LYS2090 2HZ LYS2090 12.354 18.464 8.808 632 HZ3 LYS2090 1HZ LYS2090 12.381 18.439 10.436 633 H SER2091 H SER2091 8.769 16.240 4.769 634 HA SER2091 HA SER2091 7.703 18.737 5.109 635 HB2 SER2091 1HB SER2091 10.490 18.535 5.990 636 HB3 SER2091 2HB SER2091 10.296 19.732 4.698 637 HG SER2091 HG SER2091 8.951 20.943 5.972 638 H GLY2092 H GLY2092 7.017 17.355 3.123 639 HA2 GLY2092 2HA GLY2092 8.869 17.845 0.868 640 HA3 GLY2092 3HA GLY2092 7.735 16.512 0.970 641 H ASN2093 H ASN2093 6.422 16.953 -0.810 642 HA ASN2093 HA ASN2093 4.746 19.278 -0.472 643 HB2 ASN2093 1HB ASN2093 6.811 19.108 -2.459 644 HB3 ASN2093 2HB ASN2093 5.270 18.939 -3.312 645 HD21 ASN2093 1HD2 ASN2093 3.614 20.542 -2.905 646 HD22 ASN2093 2HD2 ASN2093 4.054 22.184 -2.566 647 H VAL2094 H VAL2094 2.758 19.068 -2.010 648 HA VAL2094 HA VAL2094 1.539 16.641 -1.722 649 HB VAL2094 HB VAL2094 0.792 19.081 -2.509 650 HG11 VAL2094 1HG1 VAL2094 0.067 19.127 -4.817 651 HG12 VAL2094 2HG1 VAL2094 1.814 18.790 -4.766 652 HG13 VAL2094 3HG1 VAL2094 0.663 17.469 -5.078 653 HG21 VAL2094 3HG2 VAL2094 -1.253 18.227 -2.187 654 HG22 VAL2094 1HG2 VAL2094 -1.102 17.130 -3.581 655 HG23 VAL2094 2HG2 VAL2094 -0.453 16.649 -1.995 656 H LYS2095 H LYS2095 3.533 17.870 -4.461 657 HA LYS2095 HA LYS2095 3.053 15.892 -6.285 658 HB2 LYS2095 1HB LYS2095 5.243 16.441 -7.206 659 HB3 LYS2095 2HB LYS2095 4.353 17.903 -6.748 660 HG2 LYS2095 1HG LYS2095 5.977 18.507 -5.305 661 HG3 LYS2095 2HG LYS2095 5.947 16.926 -4.508 662 HD2 LYS2095 1HD LYS2095 7.924 16.429 -5.462 663 HD3 LYS2095 2HD LYS2095 7.191 16.574 -7.070 664 HE2 LYS2095 1HE LYS2095 8.070 19.029 -5.528 665 HE3 LYS2095 2HE LYS2095 9.246 18.091 -6.462 666 HZ1 LYS2095 2HZ LYS2095 8.430 18.984 -8.345 667 HZ3 LYS2095 1HZ LYS2095 7.547 20.019 -7.448 668 H ASP2096 H ASP2096 4.983 15.794 -3.289 669 HA ASP2096 HA ASP2096 6.207 13.341 -3.943 670 HB2 ASP2096 1HB ASP2096 5.737 14.544 -1.185 671 HB3 ASP2096 2HB ASP2096 6.984 13.364 -1.620 672 HD2 ASP2096 HD ASP2096 8.362 16.244 -3.603 673 H LEU2097 H LEU2097 3.389 14.452 -1.960 674 HA LEU2097 HA LEU2097 2.745 11.972 -0.856 675 HB2 LEU2097 1HB LEU2097 1.875 13.875 0.147 676 HB3 LEU2097 2HB LEU2097 1.219 14.508 -1.374 677 HG LEU2097 HG LEU2097 -0.602 13.027 -1.328 678 HD11 LEU2097 1HD1 LEU2097 -0.520 11.315 0.792 679 HD12 LEU2097 2HD1 LEU2097 -0.075 10.892 -0.879 680 HD13 LEU2097 3HD1 LEU2097 1.187 11.339 0.292 681 HD21 LEU2097 3HD2 LEU2097 -0.641 13.300 1.589 682 HD22 LEU2097 1HD2 LEU2097 -0.188 14.794 0.735 683 HD23 LEU2097 2HD2 LEU2097 -1.723 13.981 0.351 684 H THR2098 H THR2098 1.757 13.592 -3.924 685 HA THR2098 HA THR2098 -0.081 11.590 -4.680 686 HB THR2098 HB THR2098 1.467 13.799 -6.106 687 HG1 THR2098 1HG THR2098 -0.322 14.745 -5.210 688 HG21 THR2098 3HG2 THR2098 -0.735 13.157 -7.694 689 HG22 THR2098 1HG2 THR2098 0.952 12.743 -8.086 690 HG23 THR2098 2HG2 THR2098 -0.090 11.553 -7.269 691 H GLN2099 H GLN2099 3.434 12.057 -5.327 692 HA GLN2099 HA GLN2099 3.699 10.045 -7.157 693 HB2 GLN2099 1HB GLN2099 5.396 11.726 -5.580 694 HB3 GLN2099 2HB GLN2099 6.032 10.076 -5.469 695 HG2 GLN2099 1HG GLN2099 5.936 9.934 -7.974 696 HG3 GLN2099 2HG GLN2099 5.415 11.625 -8.029 697 HE21 GLN2099 1HE2 GLN2099 7.493 11.340 -9.428 698 HE22 GLN2099 2HE2 GLN2099 8.979 11.788 -8.662 699 H ALA2100 H ALA2100 3.770 9.918 -3.548 700 HA ALA2100 HA ALA2100 4.476 7.208 -3.371 701 HB1 ALA2100 3HB ALA2100 2.763 8.223 -1.217 702 HB2 ALA2100 1HB ALA2100 4.461 7.693 -1.167 703 HB3 ALA2100 2HB ALA2100 4.064 9.360 -1.647 704 H TRP2101 H TRP2101 1.313 8.940 -3.546 705 HA TRP2101 HA TRP2101 -0.303 6.721 -3.092 706 HB2 TRP2101 1HB TRP2101 -0.589 9.459 -3.912 707 HB3 TRP2101 2HB TRP2101 -1.637 8.429 -4.888 708 HD1 TRP2101 HD TRP2101 -1.779 10.299 -1.764 709 HE1 TRP2101 1HE TRP2101 -3.668 9.505 -0.101 710 HE3 TRP2101 3HE TRP2101 -2.666 5.849 -4.062 711 HZ2 TRP2101 2HZ TRP2101 -5.284 7.160 0.064 712 HZ3 TRP2101 3HZ TRP2101 -4.415 4.365 -3.084 713 HH2 TRP2101 HH TRP2101 -5.703 4.959 -1.094 714 H ASP2102 H ASP2102 1.512 7.890 -5.926 715 HA ASP2102 HA ASP2102 0.145 6.369 -7.818 716 HB2 ASP2102 1HB ASP2102 2.091 8.287 -7.875 717 HB3 ASP2102 2HB ASP2102 3.071 6.852 -8.216 718 HD2 ASP2102 HD ASP2102 2.240 6.994 -11.492 719 H LEU2103 H LEU2103 3.265 5.903 -5.994 720 HA LEU2103 HA LEU2103 3.972 3.463 -7.068 721 HB2 LEU2103 1HB LEU2103 4.445 4.568 -4.305 722 HB3 LEU2103 2HB LEU2103 5.303 3.190 -5.012 723 HG LEU2103 HG LEU2103 5.327 5.910 -6.314 724 HD11 LEU2103 1HD1 LEU2103 6.102 6.444 -4.153 725 HD12 LEU2103 2HD1 LEU2103 7.042 4.938 -4.025 726 HD13 LEU2103 3HD1 LEU2103 7.563 6.221 -5.143 727 HD21 LEU2103 3HD2 LEU2103 7.752 4.710 -6.754 728 HD22 LEU2103 1HD2 LEU2103 6.640 3.320 -6.744 729 HD23 LEU2103 2HD2 LEU2103 6.363 4.675 -7.864 730 H TYR2104 H TYR2104 1.804 4.250 -4.293 731 HA TYR2104 HA TYR2104 1.384 1.658 -3.416 732 HB2 TYR2104 1HB TYR2104 -0.164 4.286 -3.560 733 HB3 TYR2104 2HB TYR2104 -0.951 2.875 -2.847 734 HD1 TYR2104 2HD TYR2104 2.613 3.988 -2.575 735 HD2 TYR2104 1HD TYR2104 -1.119 3.392 -0.566 736 HE1 TYR2104 2HE TYR2104 3.718 4.507 -0.346 737 HE2 TYR2104 1HE TYR2104 0.001 3.914 1.655 738 HH TYR2104 HH TYR2104 2.114 3.926 2.643 739 H TYR2105 H TYR2105 -0.640 3.624 -5.714 740 HA TYR2105 HA TYR2105 -2.534 1.755 -6.286 741 HB2 TYR2105 1HB TYR2105 -1.818 4.261 -7.101 742 HB3 TYR2105 2HB TYR2105 -1.207 3.369 -8.497 743 HD1 TYR2105 1HD TYR2105 -3.441 1.214 -8.434 744 HD2 TYR2105 2HD TYR2105 -3.513 5.489 -8.269 745 HE1 TYR2105 1HE TYR2105 -5.777 1.220 -9.440 746 HE2 TYR2105 2HE TYR2105 -5.848 5.480 -9.275 747 HH TYR2105 HH TYR2105 -7.830 3.402 -9.205 748 H HIS2106 H HIS2106 0.821 1.981 -7.544 749 HA HIS2106 HA HIS2106 0.505 0.129 -9.602 750 HB2 HIS2106 1HB HIS2106 2.538 1.733 -8.538 751 HB3 HIS2106 2HB HIS2106 3.155 0.081 -8.420 752 HD1 HIS2106 1HD HIS2106 1.888 -1.051 -11.063 753 HD2 HIS2106 2HD HIS2106 3.931 2.598 -10.743 754 HE1 HIS2106 1HE HIS2106 2.733 -0.498 -13.406 755 HE2 HIS2106 2HE HIS2106 3.986 1.759 -13.155 756 H VAL2107 H VAL2107 1.791 -0.284 -6.225 757 HA VAL2107 HA VAL2107 2.008 -3.082 -6.470 758 HB VAL2107 HB VAL2107 2.687 -3.038 -4.265 759 HG11 VAL2107 1HG1 VAL2107 3.219 -0.131 -4.799 760 HG12 VAL2107 2HG1 VAL2107 4.308 -1.392 -4.177 761 HG13 VAL2107 3HG1 VAL2107 3.879 -1.360 -5.904 762 HG21 VAL2107 3HG2 VAL2107 1.993 -1.474 -2.568 763 HG22 VAL2107 1HG2 VAL2107 1.144 -0.472 -3.770 764 HG23 VAL2107 2HG2 VAL2107 0.542 -2.101 -3.383 765 H PHE2108 H PHE2108 -0.505 -0.870 -5.101 766 HA PHE2108 HA PHE2108 -2.158 -2.903 -4.140 767 HB2 PHE2108 1HB PHE2108 -2.303 0.007 -4.952 768 HB3 PHE2108 2HB PHE2108 -3.850 -0.822 -4.744 769 HD1 PHE2108 2HD PHE2108 -4.437 -1.756 -2.516 770 HD2 PHE2108 1HD PHE2108 -0.980 0.635 -3.090 771 HE1 PHE2108 2HE PHE2108 -4.298 -1.364 -0.041 772 HE2 PHE2108 1HE PHE2108 -0.840 1.026 -0.615 773 HZ PHE2108 HZ PHE2108 -2.501 0.022 0.881 774 H ARG2109 H ARG2109 -1.681 -1.518 -7.380 775 HA ARG2109 HA ARG2109 -4.114 -2.596 -8.355 776 HB2 ARG2109 1HB ARG2109 -3.260 -0.606 -9.421 777 HB3 ARG2109 2HB ARG2109 -1.675 -1.349 -9.704 778 HG2 ARG2109 1HG ARG2109 -2.543 -2.789 -11.391 779 HG3 ARG2109 2HG ARG2109 -4.223 -2.497 -10.907 780 HD2 ARG2109 1HD ARG2109 -3.255 0.058 -11.498 781 HD3 ARG2109 2HD ARG2109 -2.484 -0.955 -12.729 782 HE ARG2109 HE ARG2109 -5.077 -1.830 -12.806 783 HH11 ARG2109 2HH2 ARG2109 -3.696 1.431 -12.887 784 HH12 ARG2109 1HH2 ARG2109 -4.993 2.091 -13.830 785 H ARG2110 H ARG2110 -0.731 -3.598 -8.025 786 HA ARG2110 HA ARG2110 -0.816 -5.593 -9.986 787 HB2 ARG2110 1HB ARG2110 0.981 -4.894 -7.667 788 HB3 ARG2110 2HB ARG2110 1.186 -6.477 -8.430 789 HG2 ARG2110 1HG ARG2110 1.115 -3.889 -10.019 790 HG3 ARG2110 2HG ARG2110 2.623 -4.539 -9.352 791 HD2 ARG2110 1HD ARG2110 2.799 -5.914 -11.131 792 HD3 ARG2110 2HD ARG2110 1.264 -6.686 -10.701 793 HE ARG2110 HE ARG2110 0.262 -5.506 -12.446 794 HH11 ARG2110 2HH2 ARG2110 3.244 -3.821 -11.538 795 HH12 ARG2110 1HH2 ARG2110 3.124 -2.659 -12.817 796 H ILE2111 H ILE2111 -1.073 -5.633 -6.357 797 HA ILE2111 HA ILE2111 -1.325 -8.281 -5.903 798 HB ILE2111 HB ILE2111 -2.869 -7.580 -4.017 799 HG12 ILE2111 1HG1 ILE2111 -2.371 -4.880 -5.275 800 HG13 ILE2111 2HG1 ILE2111 -3.934 -5.653 -4.961 801 HG21 ILE2111 1HG2 ILE2111 -0.113 -7.332 -4.397 802 HG22 ILE2111 2HG2 ILE2111 -0.610 -5.803 -3.633 803 HG23 ILE2111 3HG2 ILE2111 -0.992 -7.354 -2.849 804 HD11 ILE2111 3HD1 ILE2111 -1.944 -4.515 -2.964 805 HD12 ILE2111 1HD1 ILE2111 -3.655 -4.077 -3.193 806 HD13 ILE2111 2HD1 ILE2111 -3.226 -5.643 -2.466 807 H SER2112 H SER2112 -3.709 -6.081 -7.389 808 HA SER2112 HA SER2112 -5.720 -8.113 -7.327 809 HB2 SER2112 1HB SER2112 -5.526 -5.264 -8.245 810 HB3 SER2112 2HB SER2112 -6.812 -6.266 -8.941 811 HG SER2112 HG SER2112 -7.891 -6.114 -7.101 812 H LYS2113 H LYS2113 -3.834 -6.305 -9.861 813 HA LYS2113 HA LYS2113 -4.715 -7.463 -12.108 814 HB2 LYS2113 1HB LYS2113 -2.465 -5.991 -11.299 815 HB3 LYS2113 2HB LYS2113 -1.830 -7.378 -12.200 816 HG2 LYS2113 1HG LYS2113 -2.250 -5.641 -13.801 817 HG3 LYS2113 2HG LYS2113 -3.548 -6.828 -14.018 818 HD2 LYS2113 1HD LYS2113 -4.218 -4.797 -12.009 819 HD3 LYS2113 2HD LYS2113 -3.852 -4.066 -13.581 820 HE2 LYS2113 1HE LYS2113 -5.443 -5.870 -14.560 821 HE3 LYS2113 2HE LYS2113 -5.983 -6.127 -12.895 822 HZ1 LYS2113 2HZ LYS2113 -5.952 -3.426 -14.098 823 HZ3 LYS2113 1HZ LYS2113 -6.792 -3.929 -12.797 824 H GLN2114 H GLN2114 -5.166 -9.529 -12.634 825 HA GLN2114 HA GLN2114 -5.118 -11.707 -12.640 826 HB2 GLN2114 1HB GLN2114 -2.400 -10.801 -13.268 827 HB3 GLN2114 2HB GLN2114 -2.427 -12.469 -12.671 828 HG2 GLN2114 1HG GLN2114 -2.917 -12.985 -14.833 829 HG3 GLN2114 2HG GLN2114 -4.561 -12.485 -14.414 830 HE21 GLN2114 1HE2 GLN2114 -2.401 -12.276 -16.737 831 HE22 GLN2114 2HE2 GLN2114 -2.664 -10.686 -17.372 Start of MODEL 16 1 H MET2014 H MET2014 2.533 -13.110 -13.541 2 HA MET2014 HA MET2014 0.519 -13.941 -13.637 3 HB2 MET2014 1HB MET2014 2.002 -16.358 -14.795 4 HB3 MET2014 2HB MET2014 0.280 -16.021 -15.039 5 HG2 MET2014 1HG MET2014 0.730 -14.146 -16.416 6 HG3 MET2014 2HG MET2014 2.372 -13.958 -15.799 7 HE1 MET2014 3HE MET2014 4.105 -14.307 -17.846 8 HE2 MET2014 1HE MET2014 4.287 -15.237 -16.339 9 HE3 MET2014 2HE MET2014 4.527 -16.035 -17.911 10 H GLU2015 H GLU2015 -0.332 -14.263 -11.596 11 HA GLU2015 HA GLU2015 0.354 -16.797 -10.332 12 HB2 GLU2015 1HB GLU2015 0.415 -14.188 -9.327 13 HB3 GLU2015 2HB GLU2015 -1.064 -14.873 -8.629 14 HG2 GLU2015 1HG GLU2015 0.125 -16.168 -7.214 15 HG3 GLU2015 2HG GLU2015 1.136 -16.798 -8.522 16 HE2 GLU2015 HE GLU2015 3.765 -15.067 -7.205 17 H LEU2016 H LEU2016 -2.185 -14.844 -11.766 18 HA LEU2016 HA LEU2016 -4.399 -15.072 -11.881 19 HB2 LEU2016 1HB LEU2016 -3.149 -17.659 -12.526 20 HB3 LEU2016 2HB LEU2016 -4.902 -17.699 -12.265 21 HG LEU2016 HG LEU2016 -4.341 -15.496 -13.973 22 HD11 LEU2016 1HD1 LEU2016 -3.277 -16.639 -15.889 23 HD12 LEU2016 2HD1 LEU2016 -2.187 -16.466 -14.495 24 HD13 LEU2016 3HD1 LEU2016 -2.941 -18.039 -14.843 25 HD21 LEU2016 3HD2 LEU2016 -6.426 -16.699 -13.970 26 HD22 LEU2016 1HD2 LEU2016 -5.692 -16.814 -15.589 27 HD23 LEU2016 2HD2 LEU2016 -5.611 -18.201 -14.475 28 H ILE2017 H ILE2017 -3.711 -14.671 -9.252 29 HA ILE2017 HA ILE2017 -5.479 -16.569 -7.870 30 HB ILE2017 HB ILE2017 -2.897 -15.302 -7.030 31 HG12 ILE2017 1HG1 ILE2017 -3.366 -17.721 -8.028 32 HG13 ILE2017 2HG1 ILE2017 -2.125 -17.426 -6.798 33 HG21 ILE2017 1HG2 ILE2017 -4.558 -14.688 -5.315 34 HG22 ILE2017 2HG2 ILE2017 -4.985 -16.405 -5.132 35 HG23 ILE2017 3HG2 ILE2017 -3.349 -15.847 -4.709 36 HD11 ILE2017 3HD1 ILE2017 -3.645 -18.150 -5.027 37 HD12 ILE2017 1HD1 ILE2017 -4.993 -18.268 -6.183 38 HD13 ILE2017 2HD1 ILE2017 -3.621 -19.397 -6.297 39 H ARG2018 H ARG2018 -7.105 -15.712 -6.563 40 HA ARG2018 HA ARG2018 -7.106 -12.946 -5.982 41 HB2 ARG2018 1HB ARG2018 -7.898 -12.904 -8.342 42 HB3 ARG2018 2HB ARG2018 -9.209 -14.021 -7.929 43 HG2 ARG2018 1HG ARG2018 -10.304 -11.974 -7.791 44 HG3 ARG2018 2HG ARG2018 -9.789 -12.174 -6.107 45 HD2 ARG2018 1HD ARG2018 -8.423 -10.369 -6.224 46 HD3 ARG2018 2HD ARG2018 -7.722 -10.888 -7.765 47 HE ARG2018 HE ARG2018 -9.355 -9.609 -8.917 48 HH11 ARG2018 2HH2 ARG2018 -10.025 -9.626 -5.439 49 HH12 ARG2018 1HH2 ARG2018 -11.191 -8.348 -5.531 50 H VAL2019 H VAL2019 -7.631 -13.282 -3.824 51 HA VAL2019 HA VAL2019 -10.066 -14.846 -3.324 52 HB VAL2019 HB VAL2019 -8.542 -16.278 -2.445 53 HG11 VAL2019 1HG1 VAL2019 -6.782 -13.863 -2.165 54 HG12 VAL2019 2HG1 VAL2019 -6.438 -15.304 -1.177 55 HG13 VAL2019 3HG1 VAL2019 -6.460 -15.428 -2.953 56 HG21 VAL2019 3HG2 VAL2019 -8.272 -15.858 0.022 57 HG22 VAL2019 1HG2 VAL2019 -8.962 -14.237 -0.239 58 HG23 VAL2019 2HG2 VAL2019 -9.936 -15.688 -0.584 59 HA PRO2020 HA PRO2020 -11.333 -11.158 -1.429 60 HB2 PRO2020 1HB PRO2020 -13.609 -12.059 -0.217 61 HB3 PRO2020 2HB PRO2020 -13.541 -11.595 -1.916 62 HG2 PRO2020 1HG PRO2020 -13.596 -14.275 -0.684 63 HG3 PRO2020 2HG PRO2020 -14.010 -13.805 -2.373 64 HD2 PRO2020 1HD PRO2020 -11.647 -15.110 -1.413 65 HD3 PRO2020 2HD PRO2020 -11.937 -14.529 -3.058 66 H ILE2021 H ILE2021 -10.790 -14.043 0.380 67 HA ILE2021 HA ILE2021 -10.425 -12.355 2.753 68 HB ILE2021 HB ILE2021 -10.544 -14.720 3.865 69 HG12 ILE2021 1HG1 ILE2021 -10.695 -15.700 1.441 70 HG13 ILE2021 2HG1 ILE2021 -11.630 -16.419 2.765 71 HG21 ILE2021 1HG2 ILE2021 -12.855 -13.042 2.890 72 HG22 ILE2021 2HG2 ILE2021 -13.075 -14.436 3.976 73 HG23 ILE2021 3HG2 ILE2021 -12.080 -13.054 4.492 74 HD11 ILE2021 3HD1 ILE2021 -12.780 -15.819 0.438 75 HD12 ILE2021 1HD1 ILE2021 -13.652 -15.563 1.969 76 HD13 ILE2021 2HD1 ILE2021 -12.867 -14.192 1.151 77 H LEU2022 H LEU2022 -8.307 -11.667 2.477 78 HA LEU2022 HA LEU2022 -6.289 -13.390 3.248 79 HB2 LEU2022 1HB LEU2022 -6.981 -13.974 0.675 80 HB3 LEU2022 2HB LEU2022 -5.644 -12.832 0.442 81 HG LEU2022 HG LEU2022 -5.227 -15.418 0.583 82 HD11 LEU2022 1HD1 LEU2022 -3.061 -14.869 0.695 83 HD12 LEU2022 2HD1 LEU2022 -3.642 -13.191 0.817 84 HD13 LEU2022 3HD1 LEU2022 -3.236 -14.101 2.291 85 HD21 LEU2022 3HD2 LEU2022 -4.999 -16.407 2.658 86 HD22 LEU2022 1HD2 LEU2022 -4.884 -14.849 3.511 87 HD23 LEU2022 2HD2 LEU2022 -6.454 -15.406 2.882 88 H TRP2023 H TRP2023 -4.011 -12.273 2.563 89 HA TRP2023 HA TRP2023 -3.985 -9.815 3.757 90 HB2 TRP2023 1HB TRP2023 -2.130 -11.332 2.004 91 HB3 TRP2023 2HB TRP2023 -1.789 -9.618 2.254 92 HD1 TRP2023 HD TRP2023 -3.332 -11.243 5.290 93 HE1 TRP2023 1HE TRP2023 -1.569 -11.679 7.204 94 HE3 TRP2023 3HE TRP2023 0.776 -10.284 2.449 95 HZ2 TRP2023 2HZ TRP2023 1.280 -11.575 7.314 96 HZ3 TRP2023 3HZ TRP2023 3.009 -10.473 3.535 97 HH2 TRP2023 HH TRP2023 3.301 -11.094 5.883 98 H HIS2024 H HIS2024 -4.133 -10.651 0.230 99 HA HIS2024 HA HIS2024 -4.014 -8.150 -0.816 100 HB2 HIS2024 1HB HIS2024 -5.943 -10.204 -1.867 101 HB3 HIS2024 2HB HIS2024 -4.955 -9.049 -2.769 102 HD1 HIS2024 1HD HIS2024 -5.049 -12.527 -1.671 103 HD2 HIS2024 2HD HIS2024 -2.059 -9.744 -2.628 104 HE1 HIS2024 1HE HIS2024 -2.925 -13.876 -2.094 105 HE2 HIS2024 2HE HIS2024 -1.113 -12.118 -2.676 106 H GLU2025 H GLU2025 -6.549 -9.588 1.145 107 HA GLU2025 HA GLU2025 -8.598 -7.873 0.281 108 HB2 GLU2025 1HB GLU2025 -8.867 -10.092 1.468 109 HB3 GLU2025 2HB GLU2025 -8.379 -9.291 2.968 110 HG2 GLU2025 1HG GLU2025 -10.269 -7.632 2.562 111 HG3 GLU2025 2HG GLU2025 -10.815 -8.676 1.240 112 HE2 GLU2025 HE GLU2025 -12.730 -9.898 3.924 113 H MET2026 H MET2026 -5.992 -7.680 2.701 114 HA MET2026 HA MET2026 -7.119 -5.457 4.037 115 HB2 MET2026 1HB MET2026 -5.211 -5.624 5.402 116 HB3 MET2026 2HB MET2026 -5.271 -7.270 4.746 117 HG2 MET2026 1HG MET2026 -3.036 -6.712 4.356 118 HG3 MET2026 2HG MET2026 -3.760 -6.220 2.821 119 HE1 MET2026 3HE MET2026 -1.136 -4.924 3.114 120 HE2 MET2026 1HE MET2026 -0.912 -3.646 4.333 121 HE3 MET2026 2HE MET2026 -1.122 -5.338 4.844 122 H TRP2027 H TRP2027 -5.010 -5.955 1.226 123 HA TRP2027 HA TRP2027 -3.955 -3.325 1.174 124 HB2 TRP2027 1HB TRP2027 -4.160 -5.513 -0.887 125 HB3 TRP2027 2HB TRP2027 -3.382 -3.959 -1.198 126 HD1 TRP2027 HD TRP2027 -2.961 -7.021 1.183 127 HE1 TRP2027 1HE TRP2027 -0.434 -7.311 1.882 128 HE3 TRP2027 3HE TRP2027 -1.292 -2.806 -1.121 129 HZ2 TRP2027 2HZ TRP2027 1.927 -5.780 1.407 130 HZ3 TRP2027 3HZ TRP2027 1.138 -2.277 -0.954 131 HH2 TRP2027 HH TRP2027 2.729 -3.685 0.255 132 H HIS2028 H HIS2028 -6.617 -5.061 -0.591 133 HA HIS2028 HA HIS2028 -7.452 -2.872 -2.063 134 HB2 HIS2028 1HB HIS2028 -8.242 -5.562 -1.619 135 HB3 HIS2028 2HB HIS2028 -9.681 -4.554 -1.431 136 HD1 HIS2028 1HD HIS2028 -10.725 -3.600 -3.551 137 HD2 HIS2028 2HD HIS2028 -6.977 -5.365 -4.213 138 HE1 HIS2028 1HE HIS2028 -10.419 -3.700 -6.081 139 HE2 HIS2028 2HE HIS2028 -8.097 -4.797 -6.438 140 H GLU2029 H GLU2029 -8.856 -4.221 1.011 141 HA GLU2029 HA GLU2029 -10.645 -2.151 1.351 142 HB2 GLU2029 1HB GLU2029 -11.115 -3.112 3.423 143 HB3 GLU2029 2HB GLU2029 -10.422 -4.482 2.539 144 HG2 GLU2029 1HG GLU2029 -8.177 -3.868 3.559 145 HG3 GLU2029 2HG GLU2029 -9.021 -2.685 4.570 146 HE2 GLU2029 HE GLU2029 -10.097 -6.512 5.151 147 H GLY2030 H GLY2030 -7.183 -2.419 2.048 148 HA2 GLY2030 2HA GLY2030 -6.903 -0.406 3.966 149 HA3 GLY2030 3HA GLY2030 -5.679 -0.946 2.834 150 H LEU2031 H LEU2031 -6.183 -0.174 0.404 151 HA LEU2031 HA LEU2031 -6.025 2.625 0.470 152 HB2 LEU2031 1HB LEU2031 -6.353 0.618 -1.745 153 HB3 LEU2031 2HB LEU2031 -6.183 2.358 -2.040 154 HG LEU2031 HG LEU2031 -4.163 0.524 -0.720 155 HD11 LEU2031 1HD1 LEU2031 -4.227 0.131 -3.081 156 HD12 LEU2031 2HD1 LEU2031 -4.217 1.877 -3.429 157 HD13 LEU2031 3HD1 LEU2031 -2.780 1.102 -2.720 158 HD21 LEU2031 3HD2 LEU2031 -4.501 3.269 -0.295 159 HD22 LEU2031 1HD2 LEU2031 -3.076 2.278 0.099 160 HD23 LEU2031 2HD2 LEU2031 -3.160 3.137 -1.457 161 H GLU2032 H GLU2032 -8.702 0.323 0.065 162 HA GLU2032 HA GLU2032 -10.527 1.922 -1.156 163 HB2 GLU2032 1HB GLU2032 -10.508 -0.520 0.365 164 HB3 GLU2032 2HB GLU2032 -11.907 0.443 0.872 165 HG2 GLU2032 1HG GLU2032 -11.173 -0.370 -1.972 166 HG3 GLU2032 2HG GLU2032 -12.525 -1.001 -1.021 167 HE2 GLU2032 HE GLU2032 -13.519 1.770 -3.291 168 H GLU2033 H GLU2033 -9.848 1.617 2.399 169 HA GLU2033 HA GLU2033 -11.715 3.654 3.012 170 HB2 GLU2033 1HB GLU2033 -10.779 1.644 4.452 171 HB3 GLU2033 2HB GLU2033 -9.522 2.807 4.907 172 HG2 GLU2033 1HG GLU2033 -11.003 4.155 6.063 173 HG3 GLU2033 2HG GLU2033 -12.376 3.742 5.025 174 HE2 GLU2033 HE GLU2033 -13.395 1.867 7.738 175 H ALA2034 H ALA2034 -8.099 3.408 2.901 176 HA ALA2034 HA ALA2034 -7.491 5.939 3.772 177 HB1 ALA2034 3HB ALA2034 -6.191 4.032 1.808 178 HB2 ALA2034 1HB ALA2034 -5.445 5.593 2.226 179 HB3 ALA2034 2HB ALA2034 -5.736 4.378 3.493 180 H SER2035 H SER2035 -8.252 4.803 0.414 181 HA SER2035 HA SER2035 -7.934 7.343 -0.701 182 HB2 SER2035 1HB SER2035 -7.780 5.507 -2.180 183 HB3 SER2035 2HB SER2035 -9.292 4.786 -1.601 184 HG SER2035 HG SER2035 -9.710 7.327 -2.608 185 H ARG2036 H ARG2036 -10.746 5.504 0.605 186 HA ARG2036 HA ARG2036 -12.767 7.051 -0.271 187 HB2 ARG2036 1HB ARG2036 -12.340 5.087 1.772 188 HB3 ARG2036 2HB ARG2036 -13.272 6.402 2.512 189 HG2 ARG2036 1HG ARG2036 -14.455 6.035 -0.006 190 HG3 ARG2036 2HG ARG2036 -14.099 4.386 0.539 191 HD2 ARG2036 1HD ARG2036 -15.205 6.044 2.692 192 HD3 ARG2036 2HD ARG2036 -16.297 5.977 1.301 193 HE ARG2036 HE ARG2036 -15.622 3.351 1.594 194 HH11 ARG2036 2HH2 ARG2036 -16.687 5.749 3.973 195 HH12 ARG2036 1HH2 ARG2036 -17.434 4.576 5.006 196 H LEU2037 H LEU2037 -10.823 7.484 2.773 197 HA LEU2037 HA LEU2037 -12.138 9.906 3.452 198 HB2 LEU2037 1HB LEU2037 -10.371 10.073 5.150 199 HB3 LEU2037 2HB LEU2037 -11.250 8.533 5.175 200 HG LEU2037 HG LEU2037 -9.173 7.791 3.664 201 HD11 LEU2037 1HD1 LEU2037 -8.131 10.115 5.292 202 HD12 LEU2037 2HD1 LEU2037 -7.091 8.823 4.645 203 HD13 LEU2037 3HD1 LEU2037 -8.019 9.860 3.535 204 HD21 LEU2037 3HD2 LEU2037 -9.581 7.844 6.623 205 HD22 LEU2037 1HD2 LEU2037 -9.536 6.470 5.493 206 HD23 LEU2037 2HD2 LEU2037 -8.022 7.267 5.985 207 H TYR2038 H TYR2038 -9.125 9.004 1.718 208 HA TYR2038 HA TYR2038 -7.925 11.472 1.597 209 HB2 TYR2038 1HB TYR2038 -7.070 9.228 0.793 210 HB3 TYR2038 2HB TYR2038 -8.264 9.244 -0.509 211 HD1 TYR2038 1HD TYR2038 -5.720 11.683 0.812 212 HD2 TYR2038 2HD TYR2038 -7.303 9.610 -2.580 213 HE1 TYR2038 1HE TYR2038 -4.043 12.856 -0.696 214 HE2 TYR2038 2HE TYR2038 -5.621 10.789 -4.077 215 HH TYR2038 HH TYR2038 -4.045 13.479 -3.245 216 H PHE2039 H PHE2039 -10.254 10.024 -0.794 217 HA PHE2039 HA PHE2039 -10.383 12.447 -2.272 218 HB2 PHE2039 1HB PHE2039 -11.873 9.787 -2.101 219 HB3 PHE2039 2HB PHE2039 -12.473 11.051 -3.178 220 HD1 PHE2039 2HD PHE2039 -9.299 9.245 -2.383 221 HD2 PHE2039 1HD PHE2039 -11.737 11.030 -5.364 222 HE1 PHE2039 2HE PHE2039 -7.698 8.471 -4.156 223 HE2 PHE2039 1HE PHE2039 -10.136 10.256 -7.136 224 HZ PHE2039 HZ PHE2039 -8.137 8.986 -6.511 225 H GLY2040 H GLY2040 -12.250 10.952 0.381 226 HA2 GLY2040 2HA GLY2040 -14.546 12.594 0.150 227 HA3 GLY2040 3HA GLY2040 -14.047 11.654 1.543 228 H GLU2041 H GLU2041 -11.814 12.646 2.562 229 HA GLU2041 HA GLU2041 -12.300 15.515 2.755 230 HB2 GLU2041 1HB GLU2041 -13.067 14.307 4.776 231 HB3 GLU2041 2HB GLU2041 -11.445 13.628 4.994 232 HG2 GLU2041 1HG GLU2041 -11.415 15.481 6.428 233 HG3 GLU2041 2HG GLU2041 -10.675 16.149 4.966 234 HE2 GLU2041 HE GLU2041 -13.258 18.344 4.406 235 H ARG2042 H ARG2042 -10.440 16.881 2.921 236 HA ARG2042 HA ARG2042 -8.181 15.812 1.659 237 HB2 ARG2042 1HB ARG2042 -8.619 18.483 3.069 238 HB3 ARG2042 2HB ARG2042 -7.225 18.122 2.035 239 HG2 ARG2042 1HG ARG2042 -10.119 17.931 1.110 240 HG3 ARG2042 2HG ARG2042 -9.133 19.388 0.904 241 HD2 ARG2042 1HD ARG2042 -7.424 17.672 -0.201 242 HD3 ARG2042 2HD ARG2042 -8.878 16.688 -0.431 243 HE ARG2042 HE ARG2042 -8.222 19.233 -1.761 244 HH11 ARG2042 2HH2 ARG2042 -10.778 16.902 -0.994 245 HH12 ARG2042 1HH2 ARG2042 -11.811 17.422 -2.282 246 H ASN2043 H ASN2043 -8.199 14.091 3.645 247 HA ASN2043 HA ASN2043 -6.212 15.120 5.509 248 HB2 ASN2043 1HB ASN2043 -8.650 13.384 6.025 249 HB3 ASN2043 2HB ASN2043 -7.253 13.285 7.104 250 HD21 ASN2043 1HD2 ASN2043 -8.208 14.145 8.874 251 HD22 ASN2043 2HD2 ASN2043 -8.732 15.790 9.014 252 H VAL2044 H VAL2044 -4.478 14.166 4.257 253 HA VAL2044 HA VAL2044 -4.627 11.541 3.236 254 HB VAL2044 HB VAL2044 -2.374 13.477 3.763 255 HG11 VAL2044 1HG1 VAL2044 -0.841 12.046 2.641 256 HG12 VAL2044 2HG1 VAL2044 -1.643 11.045 3.875 257 HG13 VAL2044 3HG1 VAL2044 -2.129 10.912 2.169 258 HG21 VAL2044 3HG2 VAL2044 -3.025 12.621 1.014 259 HG22 VAL2044 1HG2 VAL2044 -4.324 13.516 1.840 260 HG23 VAL2044 2HG2 VAL2044 -2.710 14.247 1.669 261 H LYS2045 H LYS2045 -4.057 12.878 6.409 262 HA LYS2045 HA LYS2045 -2.352 11.042 7.524 263 HB2 LYS2045 1HB LYS2045 -3.726 11.549 9.646 264 HB3 LYS2045 2HB LYS2045 -2.880 12.882 8.841 265 HG2 LYS2045 1HG LYS2045 -5.617 12.387 7.828 266 HG3 LYS2045 2HG LYS2045 -5.567 12.867 9.534 267 HD2 LYS2045 1HD LYS2045 -3.862 14.411 7.615 268 HD3 LYS2045 2HD LYS2045 -5.612 14.660 7.504 269 HE2 LYS2045 1HE LYS2045 -5.744 15.577 9.649 270 HE3 LYS2045 2HE LYS2045 -4.293 14.742 10.220 271 HZ1 LYS2045 2HZ LYS2045 -3.317 16.730 9.831 272 HZ3 LYS2045 1HZ LYS2045 -4.517 17.282 8.879 273 H GLY2046 H GLY2046 -5.850 10.767 6.771 274 HA2 GLY2046 2HA GLY2046 -6.481 8.471 8.160 275 HA3 GLY2046 3HA GLY2046 -7.185 8.965 6.634 276 H MET2047 H MET2047 -5.206 8.750 4.760 277 HA MET2047 HA MET2047 -5.092 6.018 4.352 278 HB2 MET2047 1HB MET2047 -4.977 7.443 2.443 279 HB3 MET2047 2HB MET2047 -3.700 8.449 3.147 280 HG2 MET2047 1HG MET2047 -2.250 6.274 3.048 281 HG3 MET2047 2HG MET2047 -3.484 5.664 1.941 282 HE1 MET2047 3HE MET2047 -0.410 8.182 2.330 283 HE2 MET2047 1HE MET2047 -1.029 9.506 1.314 284 HE3 MET2047 2HE MET2047 -1.903 9.032 2.791 285 H PHE2048 H PHE2048 -2.637 8.361 5.586 286 HA PHE2048 HA PHE2048 -0.492 6.589 5.620 287 HB2 PHE2048 1HB PHE2048 -1.380 9.075 7.149 288 HB3 PHE2048 2HB PHE2048 0.150 8.299 7.572 289 HD1 PHE2048 2HD PHE2048 1.088 7.522 4.852 290 HD2 PHE2048 1HD PHE2048 -0.703 11.109 6.242 291 HE1 PHE2048 2HE PHE2048 2.228 8.801 3.018 292 HE2 PHE2048 1HE PHE2048 0.436 12.388 4.409 293 HZ PHE2048 HZ PHE2048 1.888 11.219 2.817 294 H GLU2049 H GLU2049 -3.046 7.329 8.058 295 HA GLU2049 HA GLU2049 -1.829 5.662 9.997 296 HB2 GLU2049 1HB GLU2049 -3.803 6.132 11.337 297 HB3 GLU2049 2HB GLU2049 -3.269 7.632 10.558 298 HG2 GLU2049 1HG GLU2049 -5.018 7.478 8.904 299 HG3 GLU2049 2HG GLU2049 -5.433 5.827 9.390 300 HE2 GLU2049 HE GLU2049 -7.835 7.137 11.431 301 H VAL2050 H VAL2050 -3.652 5.091 7.155 302 HA VAL2050 HA VAL2050 -5.010 2.751 8.149 303 HB VAL2050 HB VAL2050 -4.763 4.152 5.499 304 HG11 VAL2050 1HG1 VAL2050 -6.214 1.528 5.976 305 HG12 VAL2050 2HG1 VAL2050 -6.182 2.469 4.466 306 HG13 VAL2050 3HG1 VAL2050 -4.691 1.711 5.073 307 HG21 VAL2050 3HG2 VAL2050 -6.466 4.493 7.652 308 HG22 VAL2050 1HG2 VAL2050 -6.769 5.033 5.983 309 HG23 VAL2050 2HG2 VAL2050 -7.418 3.473 6.546 310 H LEU2051 H LEU2051 -2.179 3.578 6.066 311 HA LEU2051 HA LEU2051 -1.572 0.817 5.623 312 HB2 LEU2051 1HB LEU2051 0.023 3.320 5.096 313 HB3 LEU2051 2HB LEU2051 0.411 1.697 4.497 314 HG LEU2051 HG LEU2051 -0.927 1.952 2.737 315 HD11 LEU2051 1HD1 LEU2051 -2.839 1.459 4.329 316 HD12 LEU2051 2HD1 LEU2051 -3.132 3.214 4.371 317 HD13 LEU2051 3HD1 LEU2051 -3.254 2.327 2.831 318 HD21 LEU2051 3HD2 LEU2051 -0.802 4.735 3.824 319 HD22 LEU2051 1HD2 LEU2051 -0.112 4.052 2.333 320 HD23 LEU2051 2HD2 LEU2051 -1.854 4.400 2.427 321 H GLU2052 H GLU2052 -0.305 3.502 7.684 322 HA GLU2052 HA GLU2052 1.879 2.524 8.723 323 HB2 GLU2052 1HB GLU2052 -0.198 4.276 9.619 324 HB3 GLU2052 2HB GLU2052 0.299 3.293 11.007 325 HG2 GLU2052 1HG GLU2052 2.509 4.346 9.311 326 HG3 GLU2052 2HG GLU2052 1.586 5.578 10.185 327 HE2 GLU2052 HE GLU2052 3.421 4.920 12.979 328 HA PRO2053 HA PRO2053 -0.410 -0.538 11.524 329 HB2 PRO2053 1HB PRO2053 -3.104 -0.901 11.248 330 HB3 PRO2053 2HB PRO2053 -2.394 0.176 12.449 331 HG2 PRO2053 1HG PRO2053 -3.712 0.802 9.885 332 HG3 PRO2053 2HG PRO2053 -3.434 1.883 11.296 333 HD2 PRO2053 1HD PRO2053 -2.043 1.828 8.795 334 HD3 PRO2053 2HD PRO2053 -1.629 2.802 10.211 335 H LEU2054 H LEU2054 -2.211 -0.480 8.484 336 HA LEU2054 HA LEU2054 -2.399 -3.178 8.119 337 HB2 LEU2054 1HB LEU2054 -2.263 -0.805 6.340 338 HB3 LEU2054 2HB LEU2054 -2.140 -2.409 5.597 339 HG LEU2054 HG LEU2054 -4.420 -1.368 7.298 340 HD11 LEU2054 1HD1 LEU2054 -5.649 -1.023 5.389 341 HD12 LEU2054 2HD1 LEU2054 -4.019 -0.581 4.822 342 HD13 LEU2054 3HD1 LEU2054 -4.695 -2.182 4.430 343 HD21 LEU2054 3HD2 LEU2054 -5.009 -3.470 7.676 344 HD22 LEU2054 1HD2 LEU2054 -5.153 -3.730 5.921 345 HD23 LEU2054 2HD2 LEU2054 -3.611 -4.060 6.745 346 H HIS2055 H HIS2055 0.276 -1.017 6.937 347 HA HIS2055 HA HIS2055 1.828 -3.096 5.957 348 HB2 HIS2055 1HB HIS2055 2.399 -0.282 6.842 349 HB3 HIS2055 2HB HIS2055 3.713 -1.344 6.325 350 HD1 HIS2055 1HD HIS2055 2.882 1.262 4.767 351 HD2 HIS2055 2HD HIS2055 1.604 -2.623 3.833 352 HE1 HIS2055 1HE HIS2055 2.219 1.300 2.303 353 HE2 HIS2055 2HE HIS2055 1.439 -1.115 1.776 354 H ALA2056 H ALA2056 1.948 -1.373 9.150 355 HA ALA2056 HA ALA2056 4.055 -2.735 10.248 356 HB1 ALA2056 3HB ALA2056 1.526 -1.527 11.401 357 HB2 ALA2056 1HB ALA2056 2.778 -2.247 12.442 358 HB3 ALA2056 2HB ALA2056 3.178 -0.861 11.398 359 H MET2057 H MET2057 0.546 -3.635 10.205 360 HA MET2057 HA MET2057 0.695 -5.855 11.752 361 HB2 MET2057 1HB MET2057 -1.490 -5.964 11.097 362 HB3 MET2057 2HB MET2057 -1.161 -4.612 9.997 363 HG2 MET2057 1HG MET2057 -0.534 -6.219 8.215 364 HG3 MET2057 2HG MET2057 -0.805 -7.573 9.316 365 HE1 MET2057 3HE MET2057 -2.266 -8.050 6.881 366 HE2 MET2057 1HE MET2057 -3.750 -7.141 6.510 367 HE3 MET2057 2HE MET2057 -2.162 -6.349 6.364 368 H MET2058 H MET2058 1.517 -5.481 8.271 369 HA MET2058 HA MET2058 1.828 -8.225 7.812 370 HB2 MET2058 1HB MET2058 3.018 -5.766 6.429 371 HB3 MET2058 2HB MET2058 3.041 -7.397 5.737 372 HG2 MET2058 1HG MET2058 0.348 -6.954 6.453 373 HG3 MET2058 2HG MET2058 0.879 -5.408 5.785 374 HE1 MET2058 3HE MET2058 -1.300 -6.896 3.529 375 HE2 MET2058 1HE MET2058 -0.859 -8.610 3.715 376 HE3 MET2058 2HE MET2058 -1.146 -7.602 5.155 377 H GLU2059 H GLU2059 3.964 -5.650 9.049 378 HA GLU2059 HA GLU2059 6.333 -7.126 8.691 379 HB2 GLU2059 1HB GLU2059 5.875 -4.898 10.701 380 HB3 GLU2059 2HB GLU2059 7.401 -5.351 9.922 381 HG2 GLU2059 1HG GLU2059 5.014 -3.897 8.777 382 HG3 GLU2059 2HG GLU2059 6.726 -3.456 8.688 383 HE2 GLU2059 HE GLU2059 7.306 -5.848 6.118 384 H ARG2060 H ARG2060 4.516 -6.203 11.713 385 HA ARG2060 HA ARG2060 5.951 -8.086 13.222 386 HB2 ARG2060 1HB ARG2060 4.375 -7.475 15.037 387 HB3 ARG2060 2HB ARG2060 4.969 -6.023 14.212 388 HG2 ARG2060 1HG ARG2060 2.890 -5.969 12.854 389 HG3 ARG2060 2HG ARG2060 2.295 -7.410 13.699 390 HD2 ARG2060 1HD ARG2060 2.943 -5.746 15.805 391 HD3 ARG2060 2HD ARG2060 2.400 -4.574 14.596 392 HE ARG2060 HE ARG2060 0.218 -5.452 14.760 393 HH11 ARG2060 2HH2 ARG2060 2.487 -7.586 16.449 394 HH12 ARG2060 1HH2 ARG2060 1.240 -8.532 17.189 395 H GLY2061 H GLY2061 3.253 -8.274 11.067 396 HA2 GLY2061 2HA GLY2061 2.423 -10.861 12.241 397 HA3 GLY2061 3HA GLY2061 1.340 -9.761 11.413 398 HA PRO2062 HA PRO2062 4.220 -11.667 8.149 399 HB2 PRO2062 1HB PRO2062 5.893 -13.699 8.882 400 HB3 PRO2062 2HB PRO2062 6.413 -12.019 8.758 401 HG2 PRO2062 1HG PRO2062 5.802 -13.644 11.143 402 HG3 PRO2062 2HG PRO2062 6.774 -12.133 11.033 403 HD2 PRO2062 1HD PRO2062 4.111 -12.469 12.030 404 HD3 PRO2062 2HD PRO2062 4.963 -10.938 11.794 405 H GLN2063 H GLN2063 4.804 -14.288 7.398 406 HA GLN2063 HA GLN2063 2.469 -15.751 8.230 407 HB2 GLN2063 1HB GLN2063 1.704 -14.368 6.310 408 HB3 GLN2063 2HB GLN2063 2.962 -15.089 5.292 409 HG2 GLN2063 1HG GLN2063 1.629 -16.855 4.868 410 HG3 GLN2063 2HG GLN2063 1.486 -17.206 6.597 411 HE21 GLN2063 1HE2 GLN2063 -0.659 -17.898 6.066 412 HE22 GLN2063 2HE2 GLN2063 -1.953 -16.756 5.933 413 H THR2064 H THR2064 4.850 -15.843 5.473 414 HA THR2064 HA THR2064 6.462 -17.828 6.628 415 HB THR2064 HB THR2064 4.475 -19.275 6.368 416 HG1 THR2064 1HG THR2064 6.458 -20.298 5.822 417 HG21 THR2064 3HG2 THR2064 3.217 -18.198 4.573 418 HG22 THR2064 1HG2 THR2064 4.607 -18.311 3.467 419 HG23 THR2064 2HG2 THR2064 3.744 -19.785 3.963 420 H LEU2065 H LEU2065 7.919 -18.869 4.860 421 HA LEU2065 HA LEU2065 9.128 -16.788 3.497 422 HB2 LEU2065 1HB LEU2065 9.350 -19.721 3.629 423 HB3 LEU2065 2HB LEU2065 10.016 -18.968 2.168 424 HG LEU2065 HG LEU2065 11.785 -19.225 3.739 425 HD11 LEU2065 1HD1 LEU2065 11.311 -16.353 4.266 426 HD12 LEU2065 2HD1 LEU2065 12.694 -17.177 3.504 427 HD13 LEU2065 3HD1 LEU2065 11.216 -16.859 2.563 428 HD21 LEU2065 3HD2 LEU2065 10.987 -17.556 5.932 429 HD22 LEU2065 1HD2 LEU2065 9.772 -18.831 5.688 430 HD23 LEU2065 2HD2 LEU2065 11.481 -19.266 5.934 431 H LYS2066 H LYS2066 6.397 -18.858 2.638 432 HA LYS2066 HA LYS2066 6.541 -18.424 -0.147 433 HB2 LYS2066 1HB LYS2066 4.403 -19.372 1.747 434 HB3 LYS2066 2HB LYS2066 4.079 -19.157 0.016 435 HG2 LYS2066 1HG LYS2066 6.581 -20.591 0.443 436 HG3 LYS2066 2HG LYS2066 5.251 -21.407 1.286 437 HD2 LYS2066 1HD LYS2066 3.941 -21.160 -0.928 438 HD3 LYS2066 2HD LYS2066 5.491 -20.740 -1.676 439 HE2 LYS2066 1HE LYS2066 6.437 -22.900 -0.930 440 HE3 LYS2066 2HE LYS2066 4.914 -23.314 -0.130 441 HZ1 LYS2066 2HZ LYS2066 4.419 -24.234 -2.120 442 HZ3 LYS2066 1HZ LYS2066 5.589 -23.439 -2.927 443 H GLU2067 H GLU2067 5.157 -16.644 2.621 444 HA GLU2067 HA GLU2067 3.792 -14.850 0.857 445 HB2 GLU2067 1HB GLU2067 2.969 -15.587 3.155 446 HB3 GLU2067 2HB GLU2067 4.216 -14.541 3.857 447 HG2 GLU2067 1HG GLU2067 2.301 -13.169 3.807 448 HG3 GLU2067 2HG GLU2067 3.182 -12.671 2.354 449 HE2 GLU2067 HE GLU2067 -0.461 -13.826 1.950 450 H THR2068 H THR2068 6.930 -15.176 2.362 451 HA THR2068 HA THR2068 7.679 -12.528 2.684 452 HB THR2068 HB THR2068 9.078 -15.159 2.108 453 HG1 THR2068 1HG THR2068 8.228 -14.467 4.244 454 HG21 THR2068 3HG2 THR2068 11.232 -14.165 2.157 455 HG22 THR2068 1HG2 THR2068 10.343 -13.070 1.072 456 HG23 THR2068 2HG2 THR2068 10.603 -12.618 2.772 457 H SER2069 H SER2069 7.749 -14.593 -0.273 458 HA SER2069 HA SER2069 9.098 -12.865 -1.880 459 HB2 SER2069 1HB SER2069 7.367 -15.173 -2.177 460 HB3 SER2069 2HB SER2069 7.060 -14.021 -3.491 461 HG SER2069 HG SER2069 8.914 -15.766 -3.579 462 H PHE2070 H PHE2070 5.693 -12.818 -0.790 463 HA PHE2070 HA PHE2070 4.876 -10.833 -2.653 464 HB2 PHE2070 1HB PHE2070 3.729 -12.657 -0.894 465 HB3 PHE2070 2HB PHE2070 3.517 -11.155 0.011 466 HD1 PHE2070 1HD PHE2070 2.740 -12.859 -3.177 467 HD2 PHE2070 2HD PHE2070 1.844 -9.604 -0.608 468 HE1 PHE2070 1HE PHE2070 0.700 -12.340 -4.545 469 HE2 PHE2070 2HE PHE2070 -0.197 -9.084 -1.975 470 HZ PHE2070 HZ PHE2070 -0.743 -10.459 -3.928 471 H ASN2071 H ASN2071 5.615 -10.810 0.909 472 HA ASN2071 HA ASN2071 5.200 -8.113 1.235 473 HB2 ASN2071 1HB ASN2071 5.728 -10.127 2.924 474 HB3 ASN2071 2HB ASN2071 7.384 -9.514 2.798 475 HD21 ASN2071 1HD2 ASN2071 7.784 -8.433 4.575 476 HD22 ASN2071 2HD2 ASN2071 6.803 -7.198 5.290 477 H GLN2072 H GLN2072 7.977 -10.026 0.048 478 HA GLN2072 HA GLN2072 9.782 -7.831 0.209 479 HB2 GLN2072 1HB GLN2072 11.405 -9.358 -0.299 480 HB3 GLN2072 2HB GLN2072 10.153 -10.511 0.193 481 HG2 GLN2072 1HG GLN2072 9.442 -10.673 -2.213 482 HG3 GLN2072 2HG GLN2072 10.790 -9.614 -2.658 483 HE21 GLN2072 1HE2 GLN2072 10.316 -12.270 -3.559 484 HE22 GLN2072 2HE2 GLN2072 11.631 -13.274 -3.054 485 H ALA2073 H ALA2073 7.769 -9.449 -2.288 486 HA ALA2073 HA ALA2073 8.804 -8.332 -4.559 487 HB1 ALA2073 3HB ALA2073 5.967 -9.036 -3.740 488 HB2 ALA2073 1HB ALA2073 6.399 -8.543 -5.394 489 HB3 ALA2073 2HB ALA2073 7.112 -10.014 -4.688 490 H TYR2074 H TYR2074 6.966 -6.828 -1.933 491 HA TYR2074 HA TYR2074 6.935 -4.330 -3.490 492 HB2 TYR2074 1HB TYR2074 5.256 -5.402 -1.142 493 HB3 TYR2074 2HB TYR2074 5.027 -3.805 -1.860 494 HD1 TYR2074 1HD TYR2074 4.799 -4.011 -4.606 495 HD2 TYR2074 2HD TYR2074 3.686 -6.975 -1.728 496 HE1 TYR2074 1HE TYR2074 3.159 -5.018 -6.268 497 HE2 TYR2074 2HE TYR2074 2.049 -7.973 -3.401 498 HH TYR2074 HH TYR2074 0.813 -6.553 -5.776 499 H GLY2075 H GLY2075 8.048 -6.035 -0.624 500 HA2 GLY2075 2HA GLY2075 8.437 -4.281 1.328 501 HA3 GLY2075 3HA GLY2075 9.696 -5.382 0.807 502 H ARG2076 H ARG2076 10.018 -4.149 -1.892 503 HA ARG2076 HA ARG2076 11.792 -2.102 -1.052 504 HB2 ARG2076 1HB ARG2076 12.527 -3.586 -2.810 505 HB3 ARG2076 2HB ARG2076 11.077 -3.275 -3.781 506 HG2 ARG2076 1HG ARG2076 13.062 -2.058 -4.640 507 HG3 ARG2076 2HG ARG2076 11.794 -0.934 -4.120 508 HD2 ARG2076 1HD ARG2076 13.166 -0.003 -2.583 509 HD3 ARG2076 2HD ARG2076 13.590 -1.582 -1.903 510 HE ARG2076 HE ARG2076 15.014 -1.473 -4.281 511 HH11 ARG2076 2HH2 ARG2076 14.807 0.640 -1.445 512 HH12 ARG2076 1HH2 ARG2076 16.426 1.230 -1.613 513 H ASP2077 H ASP2077 8.889 -2.344 -3.227 514 HA ASP2077 HA ASP2077 8.788 0.287 -3.952 515 HB2 ASP2077 1HB ASP2077 6.453 -1.596 -3.401 516 HB3 ASP2077 2HB ASP2077 6.373 -0.139 -4.403 517 HD2 ASP2077 HD ASP2077 7.125 -1.935 -7.169 518 H LEU2078 H LEU2078 7.152 -1.473 -1.216 519 HA LEU2078 HA LEU2078 5.746 0.641 -0.160 520 HB2 LEU2078 1HB LEU2078 7.036 -1.708 1.220 521 HB3 LEU2078 2HB LEU2078 5.821 -0.644 1.953 522 HG LEU2078 HG LEU2078 5.492 -2.608 -0.321 523 HD11 LEU2078 1HD1 LEU2078 5.156 -2.844 2.432 524 HD12 LEU2078 2HD1 LEU2078 3.505 -2.625 1.802 525 HD13 LEU2078 3HD1 LEU2078 4.529 -3.941 1.177 526 HD21 LEU2078 3HD2 LEU2078 4.370 -0.546 -0.990 527 HD22 LEU2078 1HD2 LEU2078 3.190 -1.817 -0.590 528 HD23 LEU2078 2HD2 LEU2078 3.504 -0.498 0.565 529 H MET2079 H MET2079 9.211 -0.164 0.049 530 HA MET2079 HA MET2079 9.747 1.585 2.170 531 HB2 MET2079 1HB MET2079 11.108 -0.350 0.689 532 HB3 MET2079 2HB MET2079 11.920 1.140 0.180 533 HG2 MET2079 1HG MET2079 13.129 1.027 2.092 534 HG3 MET2079 2HG MET2079 11.648 1.371 2.990 535 HE1 MET2079 3HE MET2079 10.856 -0.072 4.753 536 HE2 MET2079 1HE MET2079 9.837 -0.720 3.445 537 HE3 MET2079 2HE MET2079 10.639 -1.831 4.583 538 H GLU2080 H GLU2080 10.033 1.889 -1.431 539 HA GLU2080 HA GLU2080 11.124 4.424 -1.406 540 HB2 GLU2080 1HB GLU2080 11.115 2.972 -3.378 541 HB3 GLU2080 2HB GLU2080 9.352 3.084 -3.496 542 HG2 GLU2080 1HG GLU2080 9.414 5.277 -4.267 543 HG3 GLU2080 2HG GLU2080 10.952 5.639 -3.469 544 HE2 GLU2080 HE GLU2080 12.725 3.872 -6.054 545 H ALA2081 H ALA2081 7.665 3.416 -1.935 546 HA ALA2081 HA ALA2081 6.585 5.939 -2.070 547 HB1 ALA2081 3HB ALA2081 5.150 4.206 -2.660 548 HB2 ALA2081 1HB ALA2081 5.593 3.217 -1.250 549 HB3 ALA2081 2HB ALA2081 4.530 4.630 -1.047 550 H GLN2082 H GLN2082 7.386 3.907 0.797 551 HA GLN2082 HA GLN2082 6.172 5.494 2.679 552 HB2 GLN2082 1HB GLN2082 7.011 3.263 3.170 553 HB3 GLN2082 2HB GLN2082 8.685 3.779 2.892 554 HG2 GLN2082 1HG GLN2082 8.793 4.265 5.094 555 HG3 GLN2082 2HG GLN2082 7.674 5.604 4.794 556 HE21 GLN2082 1HE2 GLN2082 5.514 5.393 5.264 557 HE22 GLN2082 2HE2 GLN2082 4.860 4.117 6.237 558 H GLU2083 H GLU2083 9.413 5.725 1.136 559 HA GLU2083 HA GLU2083 10.397 7.691 2.828 560 HB2 GLU2083 1HB GLU2083 12.227 7.258 1.612 561 HB3 GLU2083 2HB GLU2083 11.258 6.269 0.507 562 HG2 GLU2083 1HG GLU2083 10.736 8.252 -0.844 563 HG3 GLU2083 2HG GLU2083 11.593 9.299 0.297 564 HE2 GLU2083 HE GLU2083 14.640 8.656 -1.108 565 H TRP2084 H TRP2084 8.394 7.810 -0.144 566 HA TRP2084 HA TRP2084 8.598 10.633 -0.431 567 HB2 TRP2084 1HB TRP2084 6.657 8.626 -1.579 568 HB3 TRP2084 2HB TRP2084 6.753 10.325 -2.050 569 HD1 TRP2084 HD TRP2084 8.320 6.974 -2.788 570 HE1 TRP2084 1HE TRP2084 10.254 7.138 -4.576 571 HE3 TRP2084 3HE TRP2084 8.661 12.048 -2.728 572 HZ2 TRP2084 2HZ TRP2084 11.677 9.322 -5.739 573 HZ3 TRP2084 3HZ TRP2084 10.349 13.116 -4.220 574 HH2 TRP2084 HH TRP2084 11.827 11.838 -5.690 575 H CYS2085 H CYS2085 6.770 8.370 1.541 576 HA CYS2085 HA CYS2085 4.578 10.107 2.021 577 HB2 CYS2085 1HB CYS2085 5.560 7.646 3.481 578 HB3 CYS2085 2HB CYS2085 4.047 8.490 3.855 579 HG CYS2085 HG CYS2085 3.459 8.426 1.091 580 H ARG2086 H ARG2086 7.387 8.949 4.041 581 HA ARG2086 HA ARG2086 6.923 10.753 6.079 582 HB2 ARG2086 1HB ARG2086 9.250 10.200 6.791 583 HB3 ARG2086 2HB ARG2086 8.341 8.745 6.349 584 HG2 ARG2086 1HG ARG2086 9.441 9.403 3.934 585 HG3 ARG2086 2HG ARG2086 10.696 10.016 5.025 586 HD2 ARG2086 1HD ARG2086 10.340 7.637 6.192 587 HD3 ARG2086 2HD ARG2086 9.737 7.187 4.590 588 HE ARG2086 HE ARG2086 12.191 8.582 4.243 589 HH11 ARG2086 2HH2 ARG2086 11.056 5.525 5.625 590 HH12 ARG2086 1HH2 ARG2086 12.549 4.697 5.335 591 H LYS2087 H LYS2087 8.719 10.974 3.001 592 HA LYS2087 HA LYS2087 10.183 13.295 3.642 593 HB2 LYS2087 1HB LYS2087 10.953 11.902 1.896 594 HB3 LYS2087 2HB LYS2087 9.408 11.976 1.034 595 HG2 LYS2087 1HG LYS2087 10.584 14.627 1.573 596 HG3 LYS2087 2HG LYS2087 11.620 13.606 0.561 597 HD2 LYS2087 1HD LYS2087 8.864 13.372 -0.302 598 HD3 LYS2087 2HD LYS2087 9.305 15.086 -0.220 599 HE2 LYS2087 1HE LYS2087 11.096 13.032 -1.560 600 HE3 LYS2087 2HE LYS2087 9.771 13.806 -2.443 601 HZ1 LYS2087 2HZ LYS2087 11.257 15.782 -1.097 602 HZ3 LYS2087 1HZ LYS2087 11.091 15.588 -2.705 603 H TYR2088 H TYR2088 6.957 12.689 2.161 604 HA TYR2088 HA TYR2088 6.490 15.430 1.586 605 HB2 TYR2088 1HB TYR2088 5.202 13.847 0.358 606 HB3 TYR2088 2HB TYR2088 5.029 12.769 1.748 607 HD1 TYR2088 2HD TYR2088 3.348 13.337 3.535 608 HD2 TYR2088 1HD TYR2088 3.562 15.484 -0.158 609 HE1 TYR2088 2HE TYR2088 1.008 14.252 3.925 610 HE2 TYR2088 1HE TYR2088 1.220 16.393 0.243 611 HH TYR2088 HH TYR2088 -0.581 16.238 1.464 612 H MET2089 H MET2089 5.731 13.225 4.329 613 HA MET2089 HA MET2089 3.957 14.916 5.604 614 HB2 MET2089 1HB MET2089 5.854 12.705 6.477 615 HB3 MET2089 2HB MET2089 4.888 13.559 7.693 616 HG2 MET2089 1HG MET2089 2.919 13.003 5.935 617 HG3 MET2089 2HG MET2089 4.012 11.684 5.506 618 HE1 MET2089 3HE MET2089 1.205 12.210 6.672 619 HE2 MET2089 1HE MET2089 0.947 10.736 7.635 620 HE3 MET2089 2HE MET2089 1.084 12.316 8.444 621 H LYS2090 H LYS2090 7.549 14.667 5.756 622 HA LYS2090 HA LYS2090 7.663 16.737 7.766 623 HB2 LYS2090 1HB LYS2090 9.299 14.594 6.948 624 HB3 LYS2090 2HB LYS2090 10.218 16.074 6.620 625 HG2 LYS2090 1HG LYS2090 8.774 15.629 9.251 626 HG3 LYS2090 2HG LYS2090 10.415 15.014 8.990 627 HD2 LYS2090 1HD LYS2090 11.337 17.098 9.107 628 HD3 LYS2090 2HD LYS2090 10.006 17.861 8.220 629 HE2 LYS2090 1HE LYS2090 9.179 16.867 10.859 630 HE3 LYS2090 2HE LYS2090 10.498 18.042 10.981 631 HZ1 LYS2090 2HZ LYS2090 8.120 18.585 9.308 632 HZ3 LYS2090 1HZ LYS2090 9.183 19.660 9.914 633 H SER2091 H SER2091 8.560 16.263 4.291 634 HA SER2091 HA SER2091 9.406 18.936 4.033 635 HB2 SER2091 1HB SER2091 10.101 16.927 2.617 636 HB3 SER2091 2HB SER2091 8.542 17.071 1.788 637 HG SER2091 HG SER2091 9.800 19.515 1.914 638 H GLY2092 H GLY2092 6.678 17.212 2.340 639 HA2 GLY2092 2HA GLY2092 4.432 17.931 2.459 640 HA3 GLY2092 3HA GLY2092 4.967 19.553 2.854 641 H ASN2093 H ASN2093 4.436 17.188 0.268 642 HA ASN2093 HA ASN2093 4.212 19.308 -1.590 643 HB2 ASN2093 1HB ASN2093 6.770 18.153 -1.357 644 HB3 ASN2093 2HB ASN2093 6.066 17.331 -2.757 645 HD21 ASN2093 1HD2 ASN2093 8.029 18.613 -3.576 646 HD22 ASN2093 2HD2 ASN2093 7.708 20.178 -4.242 647 H VAL2094 H VAL2094 2.237 18.586 -2.426 648 HA VAL2094 HA VAL2094 1.241 16.063 -2.324 649 HB VAL2094 HB VAL2094 0.799 18.408 -4.135 650 HG11 VAL2094 1HG1 VAL2094 -1.107 17.279 -5.183 651 HG12 VAL2094 2HG1 VAL2094 0.416 16.435 -5.553 652 HG13 VAL2094 3HG1 VAL2094 -0.696 15.771 -4.332 653 HG21 VAL2094 3HG2 VAL2094 -0.066 18.596 -1.891 654 HG22 VAL2094 1HG2 VAL2094 -1.432 18.369 -3.007 655 HG23 VAL2094 2HG2 VAL2094 -0.860 17.008 -2.014 656 H LYS2095 H LYS2095 3.425 17.504 -4.786 657 HA LYS2095 HA LYS2095 3.282 15.589 -6.726 658 HB2 LYS2095 1HB LYS2095 4.563 17.779 -6.677 659 HB3 LYS2095 2HB LYS2095 5.864 16.901 -5.857 660 HG2 LYS2095 1HG LYS2095 5.494 15.194 -7.878 661 HG3 LYS2095 2HG LYS2095 4.835 16.631 -8.680 662 HD2 LYS2095 1HD LYS2095 6.883 17.732 -8.674 663 HD3 LYS2095 2HD LYS2095 7.477 16.868 -7.245 664 HE2 LYS2095 1HE LYS2095 8.724 15.792 -8.858 665 HE3 LYS2095 2HE LYS2095 7.283 14.769 -8.934 666 HZ1 LYS2095 2HZ LYS2095 6.589 16.618 -10.675 667 HZ3 LYS2095 1HZ LYS2095 7.509 15.353 -11.133 668 H ASP2096 H ASP2096 5.243 15.563 -3.687 669 HA ASP2096 HA ASP2096 6.466 13.132 -4.264 670 HB2 ASP2096 1HB ASP2096 5.828 14.375 -1.554 671 HB3 ASP2096 2HB ASP2096 7.040 13.117 -1.843 672 HD2 ASP2096 HD ASP2096 8.944 15.646 -3.700 673 H LEU2097 H LEU2097 3.367 14.117 -2.788 674 HA LEU2097 HA LEU2097 2.782 11.619 -1.591 675 HB2 LEU2097 1HB LEU2097 1.854 14.067 -1.258 676 HB3 LEU2097 2HB LEU2097 0.638 13.513 -2.423 677 HG LEU2097 HG LEU2097 1.261 12.363 0.307 678 HD11 LEU2097 1HD1 LEU2097 -1.311 13.547 -0.768 679 HD12 LEU2097 2HD1 LEU2097 -0.960 13.037 0.902 680 HD13 LEU2097 3HD1 LEU2097 -0.114 14.439 0.203 681 HD21 LEU2097 3HD2 LEU2097 0.091 11.069 -2.028 682 HD22 LEU2097 1HD2 LEU2097 0.621 10.378 -0.475 683 HD23 LEU2097 2HD2 LEU2097 -1.010 11.075 -0.631 684 H THR2098 H THR2098 1.896 13.200 -4.722 685 HA THR2098 HA THR2098 0.252 11.127 -5.632 686 HB THR2098 HB THR2098 1.883 13.344 -6.950 687 HG1 THR2098 1HG THR2098 0.017 14.233 -6.130 688 HG21 THR2098 3HG2 THR2098 0.616 11.027 -8.227 689 HG22 THR2098 1HG2 THR2098 -0.246 12.526 -8.648 690 HG23 THR2098 2HG2 THR2098 1.495 12.376 -8.987 691 H GLN2099 H GLN2099 3.800 11.604 -5.788 692 HA GLN2099 HA GLN2099 4.237 9.520 -7.579 693 HB2 GLN2099 1HB GLN2099 5.767 11.452 -6.236 694 HB3 GLN2099 2HB GLN2099 6.432 9.907 -5.680 695 HG2 GLN2099 1HG GLN2099 6.984 9.227 -7.881 696 HG3 GLN2099 2HG GLN2099 5.900 10.409 -8.627 697 HE21 GLN2099 1HE2 GLN2099 8.954 9.694 -8.456 698 HE22 GLN2099 2HE2 GLN2099 9.729 11.239 -8.365 699 H ALA2100 H ALA2100 4.233 9.682 -3.964 700 HA ALA2100 HA ALA2100 4.998 7.009 -3.576 701 HB1 ALA2100 3HB ALA2100 4.872 7.590 -1.384 702 HB2 ALA2100 1HB ALA2100 4.643 9.239 -2.015 703 HB3 ALA2100 2HB ALA2100 3.231 8.258 -1.553 704 H TRP2101 H TRP2101 1.804 8.655 -3.911 705 HA TRP2101 HA TRP2101 0.238 6.430 -3.296 706 HB2 TRP2101 1HB TRP2101 -0.125 9.106 -4.164 707 HB3 TRP2101 2HB TRP2101 -1.060 8.068 -5.241 708 HD1 TRP2101 HD TRP2101 -1.599 9.920 -2.192 709 HE1 TRP2101 1HE TRP2101 -3.557 9.019 -0.671 710 HE3 TRP2101 3HE TRP2101 -1.948 5.367 -4.431 711 HZ2 TRP2101 2HZ TRP2101 -5.000 6.558 -0.575 712 HZ3 TRP2101 3HZ TRP2101 -3.658 3.774 -3.564 713 HH2 TRP2101 HH TRP2101 -5.154 4.307 -1.704 714 H ASP2102 H ASP2102 1.938 7.526 -6.250 715 HA ASP2102 HA ASP2102 0.637 5.849 -8.025 716 HB2 ASP2102 1HB ASP2102 2.865 7.653 -8.005 717 HB3 ASP2102 2HB ASP2102 3.424 6.148 -8.752 718 HD2 ASP2102 HD ASP2102 2.187 7.261 -11.710 719 H LEU2103 H LEU2103 3.691 5.519 -6.083 720 HA LEU2103 HA LEU2103 4.483 3.048 -7.048 721 HB2 LEU2103 1HB LEU2103 4.976 4.674 -4.618 722 HB3 LEU2103 2HB LEU2103 5.463 2.970 -4.577 723 HG LEU2103 HG LEU2103 6.600 3.646 -6.893 724 HD11 LEU2103 1HD1 LEU2103 6.487 6.261 -5.367 725 HD12 LEU2103 2HD1 LEU2103 7.559 5.924 -6.748 726 HD13 LEU2103 3HD1 LEU2103 5.795 5.920 -6.970 727 HD21 LEU2103 3HD2 LEU2103 7.743 4.206 -4.144 728 HD22 LEU2103 1HD2 LEU2103 7.787 2.666 -5.034 729 HD23 LEU2103 2HD2 LEU2103 8.696 4.072 -5.640 730 H TYR2104 H TYR2104 2.463 3.847 -4.138 731 HA TYR2104 HA TYR2104 1.989 1.233 -3.365 732 HB2 TYR2104 1HB TYR2104 0.565 3.932 -3.244 733 HB3 TYR2104 2HB TYR2104 -0.232 2.519 -2.544 734 HD1 TYR2104 1HD TYR2104 2.202 1.131 -1.409 735 HD2 TYR2104 2HD TYR2104 0.996 5.235 -1.332 736 HE1 TYR2104 1HE TYR2104 3.511 1.482 0.742 737 HE2 TYR2104 2HE TYR2104 2.311 5.574 0.819 738 HH TYR2104 HH TYR2104 3.039 3.976 2.751 739 H TYR2105 H TYR2105 0.044 3.390 -5.542 740 HA TYR2105 HA TYR2105 -2.080 1.758 -6.006 741 HB2 TYR2105 1HB TYR2105 -1.415 4.134 -6.854 742 HB3 TYR2105 2HB TYR2105 -0.462 3.324 -8.103 743 HD1 TYR2105 2HD TYR2105 -3.149 1.215 -7.676 744 HD2 TYR2105 1HD TYR2105 -2.263 5.108 -9.212 745 HE1 TYR2105 2HE TYR2105 -5.213 1.107 -9.155 746 HE2 TYR2105 1HE TYR2105 -4.331 4.988 -10.687 747 HH TYR2105 HH TYR2105 -6.128 3.877 -11.173 748 H HIS2106 H HIS2106 1.109 1.732 -7.732 749 HA HIS2106 HA HIS2106 0.413 -0.287 -9.515 750 HB2 HIS2106 1HB HIS2106 2.679 1.296 -8.875 751 HB3 HIS2106 2HB HIS2106 3.212 -0.391 -8.894 752 HD1 HIS2106 1HD HIS2106 0.629 1.292 -11.171 753 HD2 HIS2106 2HD HIS2106 4.377 -0.582 -11.368 754 HE1 HIS2106 1HE HIS2106 1.205 1.103 -13.650 755 HE2 HIS2106 2HE HIS2106 3.522 -0.059 -13.718 756 H VAL2107 H VAL2107 1.831 -0.360 -6.205 757 HA VAL2107 HA VAL2107 2.341 -3.120 -6.191 758 HB VAL2107 HB VAL2107 2.045 -0.952 -4.147 759 HG11 VAL2107 1HG1 VAL2107 1.047 -2.720 -2.934 760 HG12 VAL2107 2HG1 VAL2107 2.181 -3.923 -3.592 761 HG13 VAL2107 3HG1 VAL2107 2.752 -2.708 -2.424 762 HG21 VAL2107 3HG2 VAL2107 4.436 -2.289 -3.757 763 HG22 VAL2107 1HG2 VAL2107 4.206 -2.379 -5.519 764 HG23 VAL2107 2HG2 VAL2107 4.211 -0.797 -4.703 765 H PHE2108 H PHE2108 -0.385 -1.190 -4.747 766 HA PHE2108 HA PHE2108 -1.852 -3.451 -4.010 767 HB2 PHE2108 1HB PHE2108 -2.369 -0.501 -4.582 768 HB3 PHE2108 2HB PHE2108 -3.732 -1.547 -4.170 769 HD1 PHE2108 1HD PHE2108 -0.355 -0.576 -2.913 770 HD2 PHE2108 2HD PHE2108 -4.303 -1.792 -1.944 771 HE1 PHE2108 1HE PHE2108 0.142 -0.242 -0.478 772 HE2 PHE2108 2HE PHE2108 -3.805 -1.458 0.494 773 HZ PHE2108 HZ PHE2108 -1.590 -0.688 1.199 774 H ARG2109 H ARG2109 -1.496 -1.706 -7.071 775 HA ARG2109 HA ARG2109 -3.897 -2.675 -8.168 776 HB2 ARG2109 1HB ARG2109 -2.874 -0.653 -9.059 777 HB3 ARG2109 2HB ARG2109 -1.370 -1.513 -9.437 778 HG2 ARG2109 1HG ARG2109 -3.245 -3.022 -10.784 779 HG3 ARG2109 2HG ARG2109 -3.936 -1.395 -10.934 780 HD2 ARG2109 1HD ARG2109 -1.601 -0.640 -11.701 781 HD3 ARG2109 2HD ARG2109 -1.181 -2.356 -11.822 782 HE ARG2109 HE ARG2109 -3.656 -1.790 -13.209 783 HH11 ARG2109 2HH2 ARG2109 -0.142 -1.458 -13.528 784 HH12 ARG2109 1HH2 ARG2109 -0.175 -1.452 -15.261 785 H ARG2110 H ARG2110 -0.533 -3.814 -7.924 786 HA ARG2110 HA ARG2110 -0.735 -5.714 -9.970 787 HB2 ARG2110 1HB ARG2110 1.223 -4.815 -8.032 788 HB3 ARG2110 2HB ARG2110 1.190 -6.585 -8.029 789 HG2 ARG2110 1HG ARG2110 1.230 -5.099 -10.653 790 HG3 ARG2110 2HG ARG2110 2.740 -5.266 -9.737 791 HD2 ARG2110 1HD ARG2110 2.650 -7.657 -9.856 792 HD3 ARG2110 2HD ARG2110 0.962 -7.653 -10.389 793 HE ARG2110 HE ARG2110 1.705 -7.306 -12.578 794 HH11 ARG2110 2HH2 ARG2110 4.324 -6.449 -10.349 795 HH12 ARG2110 1HH2 ARG2110 5.483 -6.203 -11.610 796 H ILE2111 H ILE2111 -0.915 -5.898 -6.341 797 HA ILE2111 HA ILE2111 -1.242 -8.567 -6.009 798 HB ILE2111 HB ILE2111 -2.694 -7.894 -4.035 799 HG12 ILE2111 1HG1 ILE2111 -1.994 -5.117 -5.009 800 HG13 ILE2111 2HG1 ILE2111 -3.618 -5.832 -5.021 801 HG21 ILE2111 1HG2 ILE2111 -0.829 -7.392 -2.786 802 HG22 ILE2111 2HG2 ILE2111 -0.091 -8.102 -4.242 803 HG23 ILE2111 3HG2 ILE2111 -0.134 -6.335 -4.039 804 HD11 ILE2111 3HD1 ILE2111 -3.114 -6.232 -2.441 805 HD12 ILE2111 1HD1 ILE2111 -1.926 -4.928 -2.688 806 HD13 ILE2111 2HD1 ILE2111 -3.652 -4.634 -3.012 807 H SER2112 H SER2112 -3.522 -6.226 -7.404 808 HA SER2112 HA SER2112 -5.650 -8.144 -7.314 809 HB2 SER2112 1HB SER2112 -6.832 -6.308 -8.684 810 HB3 SER2112 2HB SER2112 -6.381 -5.908 -7.018 811 HG SER2112 HG SER2112 -5.164 -4.330 -7.781 812 H LYS2113 H LYS2113 -3.660 -6.418 -9.819 813 HA LYS2113 HA LYS2113 -4.662 -7.415 -12.093 814 HB2 LYS2113 1HB LYS2113 -2.222 -6.249 -11.226 815 HB3 LYS2113 2HB LYS2113 -1.815 -7.597 -12.303 816 HG2 LYS2113 1HG LYS2113 -4.077 -5.886 -13.198 817 HG3 LYS2113 2HG LYS2113 -2.503 -5.073 -13.156 818 HD2 LYS2113 1HD LYS2113 -2.035 -6.040 -15.133 819 HD3 LYS2113 2HD LYS2113 -2.019 -7.615 -14.320 820 HE2 LYS2113 1HE LYS2113 -3.667 -8.052 -15.864 821 HE3 LYS2113 2HE LYS2113 -4.698 -7.315 -14.628 822 HZ1 LYS2113 2HZ LYS2113 -3.975 -5.150 -15.948 823 HZ3 LYS2113 1HZ LYS2113 -5.245 -6.041 -16.442 824 H GLN2114 H GLN2114 -4.771 -9.336 -13.214 825 HA GLN2114 HA GLN2114 -4.385 -11.663 -11.699 826 HB2 GLN2114 1HB GLN2114 -5.431 -10.926 -14.365 827 HB3 GLN2114 2HB GLN2114 -4.732 -12.553 -14.290 828 HG2 GLN2114 1HG GLN2114 -6.799 -13.133 -13.526 829 HG3 GLN2114 2HG GLN2114 -6.209 -12.520 -11.974 830 HE21 GLN2114 1HE2 GLN2114 -8.145 -11.905 -14.810 831 HE22 GLN2114 2HE2 GLN2114 -9.050 -10.555 -14.209 Start of MODEL 17 1 H MET2014 H MET2014 -15.627 -10.346 4.268 2 HA MET2014 HA MET2014 -17.225 -10.159 2.804 3 HB2 MET2014 1HB MET2014 -18.379 -9.205 5.108 4 HB3 MET2014 2HB MET2014 -18.585 -7.792 4.057 5 HG2 MET2014 1HG MET2014 -19.302 -10.052 2.488 6 HG3 MET2014 2HG MET2014 -20.046 -10.318 4.068 7 HE1 MET2014 3HE MET2014 -22.351 -7.307 4.560 8 HE2 MET2014 1HE MET2014 -21.991 -8.991 5.011 9 HE3 MET2014 2HE MET2014 -20.783 -7.716 5.293 10 H GLU2015 H GLU2015 -15.563 -9.364 1.306 11 HA GLU2015 HA GLU2015 -15.879 -6.509 0.791 12 HB2 GLU2015 1HB GLU2015 -13.516 -8.369 0.442 13 HB3 GLU2015 2HB GLU2015 -13.600 -6.825 -0.427 14 HG2 GLU2015 1HG GLU2015 -13.762 -7.192 2.597 15 HG3 GLU2015 2HG GLU2015 -12.339 -6.620 1.712 16 HE2 GLU2015 HE GLU2015 -13.663 -3.456 1.198 17 H LEU2016 H LEU2016 -16.518 -9.699 -0.301 18 HA LEU2016 HA LEU2016 -17.644 -10.371 -2.101 19 HB2 LEU2016 1HB LEU2016 -18.052 -7.646 -2.208 20 HB3 LEU2016 2HB LEU2016 -17.404 -8.027 -3.813 21 HG LEU2016 HG LEU2016 -19.497 -9.880 -2.930 22 HD11 LEU2016 1HD1 LEU2016 -20.010 -7.397 -2.013 23 HD12 LEU2016 2HD1 LEU2016 -20.666 -7.258 -3.661 24 HD13 LEU2016 3HD1 LEU2016 -21.267 -8.528 -2.568 25 HD21 LEU2016 3HD2 LEU2016 -18.937 -8.217 -5.387 26 HD22 LEU2016 1HD2 LEU2016 -18.816 -9.982 -5.181 27 HD23 LEU2016 2HD2 LEU2016 -20.413 -9.195 -5.206 28 H ILE2017 H ILE2017 -16.657 -11.845 -3.367 29 HA ILE2017 HA ILE2017 -15.201 -12.790 -4.730 30 HB ILE2017 HB ILE2017 -15.007 -9.939 -5.578 31 HG12 ILE2017 1HG1 ILE2017 -15.418 -11.869 -7.659 32 HG13 ILE2017 2HG1 ILE2017 -16.511 -12.224 -6.310 33 HG21 ILE2017 1HG2 ILE2017 -12.754 -10.385 -5.893 34 HG22 ILE2017 2HG2 ILE2017 -13.036 -12.097 -6.284 35 HG23 ILE2017 3HG2 ILE2017 -13.462 -10.834 -7.463 36 HD11 ILE2017 3HD1 ILE2017 -17.173 -9.775 -6.317 37 HD12 ILE2017 1HD1 ILE2017 -16.199 -9.578 -7.793 38 HD13 ILE2017 2HD1 ILE2017 -17.617 -10.651 -7.800 39 H ARG2018 H ARG2018 -13.284 -9.810 -3.975 40 HA ARG2018 HA ARG2018 -10.943 -10.997 -3.592 41 HB2 ARG2018 1HB ARG2018 -11.825 -8.477 -3.301 42 HB3 ARG2018 2HB ARG2018 -11.684 -8.874 -1.579 43 HG2 ARG2018 1HG ARG2018 -9.542 -8.129 -1.930 44 HG3 ARG2018 2HG ARG2018 -9.289 -9.812 -2.427 45 HD2 ARG2018 1HD ARG2018 -10.303 -8.070 -4.591 46 HD3 ARG2018 2HD ARG2018 -8.725 -7.561 -3.971 47 HE ARG2018 HE ARG2018 -8.579 -10.354 -4.320 48 HH11 ARG2018 2HH2 ARG2018 -9.118 -7.523 -6.384 49 HH12 ARG2018 1HH2 ARG2018 -8.440 -8.268 -7.792 50 H VAL2019 H VAL2019 -10.423 -12.784 -2.363 51 HA VAL2019 HA VAL2019 -11.849 -13.936 -0.415 52 HB VAL2019 HB VAL2019 -8.854 -13.712 -0.730 53 HG11 VAL2019 1HG1 VAL2019 -10.243 -15.875 0.859 54 HG12 VAL2019 2HG1 VAL2019 -8.515 -15.450 0.815 55 HG13 VAL2019 3HG1 VAL2019 -9.677 -14.370 1.623 56 HG21 VAL2019 3HG2 VAL2019 -10.235 -14.731 -2.585 57 HG22 VAL2019 1HG2 VAL2019 -8.998 -15.801 -1.885 58 HG23 VAL2019 2HG2 VAL2019 -10.708 -16.005 -1.436 59 HA PRO2020 HA PRO2020 -11.781 -11.197 2.944 60 HB2 PRO2020 1HB PRO2020 -12.866 -12.829 4.847 61 HB3 PRO2020 2HB PRO2020 -13.835 -11.941 3.674 62 HG2 PRO2020 1HG PRO2020 -13.107 -14.798 3.757 63 HG3 PRO2020 2HG PRO2020 -14.455 -14.009 2.860 64 HD2 PRO2020 1HD PRO2020 -11.972 -14.997 1.832 65 HD3 PRO2020 2HD PRO2020 -13.198 -14.085 0.937 66 H ILE2021 H ILE2021 -10.475 -14.417 3.389 67 HA ILE2021 HA ILE2021 -8.719 -13.320 5.448 68 HB ILE2021 HB ILE2021 -9.087 -16.193 4.603 69 HG12 ILE2021 1HG1 ILE2021 -10.554 -14.572 6.686 70 HG13 ILE2021 2HG1 ILE2021 -11.245 -15.439 5.302 71 HG21 ILE2021 1HG2 ILE2021 -7.852 -16.800 6.449 72 HG22 ILE2021 2HG2 ILE2021 -7.014 -15.316 5.937 73 HG23 ILE2021 3HG2 ILE2021 -8.157 -15.267 7.300 74 HD11 ILE2021 3HD1 ILE2021 -11.505 -16.642 7.509 75 HD12 ILE2021 1HD1 ILE2021 -10.629 -17.589 6.284 76 HD13 ILE2021 2HD1 ILE2021 -9.731 -16.778 7.592 77 H LEU2022 H LEU2022 -7.912 -12.038 3.368 78 HA LEU2022 HA LEU2022 -5.500 -13.441 2.571 79 HB2 LEU2022 1HB LEU2022 -7.664 -13.441 0.885 80 HB3 LEU2022 2HB LEU2022 -6.728 -12.050 0.314 81 HG LEU2022 HG LEU2022 -6.024 -13.874 -0.984 82 HD11 LEU2022 1HD1 LEU2022 -4.207 -12.452 0.059 83 HD12 LEU2022 2HD1 LEU2022 -3.929 -13.794 1.195 84 HD13 LEU2022 3HD1 LEU2022 -3.702 -14.046 -0.553 85 HD21 LEU2022 3HD2 LEU2022 -5.026 -15.870 0.695 86 HD22 LEU2022 1HD2 LEU2022 -6.596 -15.418 1.403 87 HD23 LEU2022 2HD2 LEU2022 -6.501 -15.933 -0.298 88 H TRP2023 H TRP2023 -3.785 -11.986 1.951 89 HA TRP2023 HA TRP2023 -3.818 -9.591 3.398 90 HB2 TRP2023 1HB TRP2023 -1.969 -10.989 1.558 91 HB3 TRP2023 2HB TRP2023 -1.716 -9.256 1.762 92 HD1 TRP2023 HD TRP2023 -2.988 -10.970 4.887 93 HE1 TRP2023 1HE TRP2023 -1.106 -11.242 6.716 94 HE3 TRP2023 3HE TRP2023 0.881 -9.682 1.850 95 HZ2 TRP2023 2HZ TRP2023 1.726 -10.894 6.688 96 HZ3 TRP2023 3HZ TRP2023 3.172 -9.674 2.831 97 HH2 TRP2023 HH TRP2023 3.628 -10.252 5.160 98 H HIS2024 H HIS2024 -3.977 -10.319 -0.160 99 HA HIS2024 HA HIS2024 -4.088 -7.802 -1.130 100 HB2 HIS2024 1HB HIS2024 -5.981 -9.828 -2.242 101 HB3 HIS2024 2HB HIS2024 -4.886 -8.721 -3.084 102 HD1 HIS2024 1HD HIS2024 -5.275 -12.202 -2.288 103 HD2 HIS2024 2HD HIS2024 -2.008 -9.587 -2.571 104 HE1 HIS2024 1HE HIS2024 -3.207 -13.670 -2.568 105 HE2 HIS2024 2HE HIS2024 -1.221 -12.011 -2.735 106 H GLU2025 H GLU2025 -6.407 -9.398 0.940 107 HA GLU2025 HA GLU2025 -8.636 -7.874 0.176 108 HB2 GLU2025 1HB GLU2025 -8.596 -10.084 1.455 109 HB3 GLU2025 2HB GLU2025 -8.170 -9.150 2.899 110 HG2 GLU2025 1HG GLU2025 -10.451 -8.013 1.430 111 HG3 GLU2025 2HG GLU2025 -10.756 -9.675 1.963 112 HE2 GLU2025 HE GLU2025 -11.584 -8.405 5.024 113 H MET2026 H MET2026 -6.029 -7.497 2.624 114 HA MET2026 HA MET2026 -7.237 -5.274 3.854 115 HB2 MET2026 1HB MET2026 -5.234 -5.208 5.148 116 HB3 MET2026 2HB MET2026 -5.370 -6.921 4.711 117 HG2 MET2026 1HG MET2026 -3.146 -6.517 4.153 118 HG3 MET2026 2HG MET2026 -3.915 -6.153 2.606 119 HE1 MET2026 3HE MET2026 -0.896 -3.676 3.424 120 HE2 MET2026 1HE MET2026 -1.172 -4.655 4.883 121 HE3 MET2026 2HE MET2026 -1.226 -5.420 3.278 122 H TRP2027 H TRP2027 -5.013 -5.749 1.105 123 HA TRP2027 HA TRP2027 -4.123 -3.079 0.946 124 HB2 TRP2027 1HB TRP2027 -4.262 -5.315 -1.075 125 HB3 TRP2027 2HB TRP2027 -3.522 -3.745 -1.401 126 HD1 TRP2027 HD TRP2027 -3.027 -6.782 0.993 127 HE1 TRP2027 1HE TRP2027 -0.497 -6.997 1.712 128 HE3 TRP2027 3HE TRP2027 -1.468 -2.519 -1.299 129 HZ2 TRP2027 2HZ TRP2027 1.820 -5.397 1.251 130 HZ3 TRP2027 3HZ TRP2027 0.945 -1.919 -1.115 131 HH2 TRP2027 HH TRP2027 2.568 -3.278 0.107 132 H HIS2028 H HIS2028 -6.765 -4.973 -0.672 133 HA HIS2028 HA HIS2028 -7.693 -2.812 -2.187 134 HB2 HIS2028 1HB HIS2028 -8.553 -4.656 -3.096 135 HB3 HIS2028 2HB HIS2028 -8.502 -5.562 -1.580 136 HD1 HIS2028 1HD HIS2028 -10.735 -3.364 -3.674 137 HD2 HIS2028 2HD HIS2028 -10.896 -5.517 -0.077 138 HE1 HIS2028 1HE HIS2028 -13.193 -3.433 -2.992 139 HE2 HIS2028 2HE HIS2028 -13.237 -4.768 -0.768 140 H GLU2029 H GLU2029 -8.683 -4.168 1.019 141 HA GLU2029 HA GLU2029 -10.772 -2.354 1.363 142 HB2 GLU2029 1HB GLU2029 -11.022 -4.123 2.788 143 HB3 GLU2029 2HB GLU2029 -9.279 -4.314 3.053 144 HG2 GLU2029 1HG GLU2029 -9.248 -2.793 4.790 145 HG3 GLU2029 2HG GLU2029 -10.565 -1.818 4.120 146 HE2 GLU2029 HE GLU2029 -11.505 -5.145 6.184 147 H GLY2030 H GLY2030 -7.277 -2.295 2.176 148 HA2 GLY2030 2HA GLY2030 -7.222 -0.120 3.899 149 HA3 GLY2030 3HA GLY2030 -5.926 -0.624 2.831 150 H LEU2031 H LEU2031 -6.478 -0.086 0.333 151 HA LEU2031 HA LEU2031 -6.466 2.692 0.156 152 HB2 LEU2031 1HB LEU2031 -7.108 0.746 -2.049 153 HB3 LEU2031 2HB LEU2031 -6.416 2.368 -2.203 154 HG LEU2031 HG LEU2031 -5.137 -0.215 -1.428 155 HD11 LEU2031 1HD1 LEU2031 -4.757 1.949 -3.399 156 HD12 LEU2031 2HD1 LEU2031 -3.262 1.277 -2.704 157 HD13 LEU2031 3HD1 LEU2031 -4.424 0.203 -3.519 158 HD21 LEU2031 3HD2 LEU2031 -4.546 2.408 -0.145 159 HD22 LEU2031 1HD2 LEU2031 -4.401 0.753 0.494 160 HD23 LEU2031 2HD2 LEU2031 -3.170 1.385 -0.626 161 H GLU2032 H GLU2032 -9.092 0.295 0.075 162 HA GLU2032 HA GLU2032 -11.023 1.776 -1.147 163 HB2 GLU2032 1HB GLU2032 -10.909 -0.490 0.742 164 HB3 GLU2032 2HB GLU2032 -12.431 0.417 0.815 165 HG2 GLU2032 1HG GLU2032 -11.266 -0.375 -1.858 166 HG3 GLU2032 2HG GLU2032 -12.149 -1.577 -0.906 167 HE2 GLU2032 HE GLU2032 -14.886 -0.314 -2.599 168 H GLU2033 H GLU2033 -10.191 1.648 2.388 169 HA GLU2033 HA GLU2033 -12.048 3.733 2.933 170 HB2 GLU2033 1HB GLU2033 -11.326 1.782 4.469 171 HB3 GLU2033 2HB GLU2033 -9.882 2.747 4.819 172 HG2 GLU2033 1HG GLU2033 -11.097 4.404 5.918 173 HG3 GLU2033 2HG GLU2033 -12.593 4.056 5.039 174 HE2 GLU2033 HE GLU2033 -12.739 2.774 8.488 175 H ALA2034 H ALA2034 -8.440 3.365 2.885 176 HA ALA2034 HA ALA2034 -7.763 5.906 3.675 177 HB1 ALA2034 3HB ALA2034 -6.512 3.817 1.892 178 HB2 ALA2034 1HB ALA2034 -5.732 5.407 2.079 179 HB3 ALA2034 2HB ALA2034 -6.007 4.377 3.506 180 H SER2035 H SER2035 -8.462 4.669 0.335 181 HA SER2035 HA SER2035 -8.066 7.172 -0.843 182 HB2 SER2035 1HB SER2035 -8.849 6.162 -2.847 183 HB3 SER2035 2HB SER2035 -8.046 4.855 -1.957 184 HG SER2035 HG SER2035 -10.007 3.934 -1.480 185 H ARG2036 H ARG2036 -10.969 5.376 0.342 186 HA ARG2036 HA ARG2036 -12.892 7.021 -0.632 187 HB2 ARG2036 1HB ARG2036 -12.627 5.203 1.733 188 HB3 ARG2036 2HB ARG2036 -14.005 6.314 1.759 189 HG2 ARG2036 1HG ARG2036 -14.932 5.391 -0.208 190 HG3 ARG2036 2HG ARG2036 -13.402 4.651 -0.707 191 HD2 ARG2036 1HD ARG2036 -14.199 2.737 0.205 192 HD3 ARG2036 2HD ARG2036 -13.920 3.479 1.788 193 HE ARG2036 HE ARG2036 -16.232 3.632 2.031 194 HH11 ARG2036 2HH2 ARG2036 -15.500 3.457 -1.430 195 HH12 ARG2036 1HH2 ARG2036 -17.166 3.420 -1.907 196 H LEU2037 H LEU2037 -11.157 7.215 2.559 197 HA LEU2037 HA LEU2037 -12.458 9.607 3.327 198 HB2 LEU2037 1HB LEU2037 -10.818 9.643 5.119 199 HB3 LEU2037 2HB LEU2037 -11.612 8.067 4.959 200 HG LEU2037 HG LEU2037 -9.419 7.578 3.501 201 HD11 LEU2037 1HD1 LEU2037 -8.654 9.843 5.337 202 HD12 LEU2037 2HD1 LEU2037 -7.474 8.616 4.820 203 HD13 LEU2037 3HD1 LEU2037 -8.297 9.625 3.608 204 HD21 LEU2037 3HD2 LEU2037 -9.879 6.083 5.194 205 HD22 LEU2037 1HD2 LEU2037 -8.368 6.824 5.771 206 HD23 LEU2037 2HD2 LEU2037 -9.931 7.345 6.447 207 H TYR2038 H TYR2038 -9.367 8.803 1.677 208 HA TYR2038 HA TYR2038 -8.177 11.280 1.751 209 HB2 TYR2038 1HB TYR2038 -7.126 9.224 0.883 210 HB3 TYR2038 2HB TYR2038 -8.390 9.032 -0.336 211 HD1 TYR2038 2HD TYR2038 -5.371 10.943 0.623 212 HD2 TYR2038 1HD TYR2038 -8.283 10.231 -2.430 213 HE1 TYR2038 2HE TYR2038 -3.928 12.193 -1.056 214 HE2 TYR2038 1HE TYR2038 -6.829 11.484 -4.099 215 HH TYR2038 HH TYR2038 -4.627 13.539 -3.378 216 H PHE2039 H PHE2039 -10.361 9.946 -0.835 217 HA PHE2039 HA PHE2039 -10.441 12.458 -2.170 218 HB2 PHE2039 1HB PHE2039 -12.012 9.828 -2.265 219 HB3 PHE2039 2HB PHE2039 -12.331 11.141 -3.404 220 HD1 PHE2039 2HD PHE2039 -10.060 12.037 -4.563 221 HD2 PHE2039 1HD PHE2039 -10.661 8.136 -3.004 222 HE1 PHE2039 2HE PHE2039 -8.247 11.157 -6.060 223 HE2 PHE2039 1HE PHE2039 -8.849 7.258 -4.501 224 HZ PHE2039 HZ PHE2039 -7.663 8.779 -6.012 225 H GLY2040 H GLY2040 -12.593 10.639 0.078 226 HA2 GLY2040 2HA GLY2040 -14.826 12.349 -0.148 227 HA3 GLY2040 3HA GLY2040 -14.470 11.238 1.160 228 H GLU2041 H GLU2041 -11.732 12.594 1.574 229 HA GLU2041 HA GLU2041 -12.463 15.232 2.378 230 HB2 GLU2041 1HB GLU2041 -13.319 13.780 4.242 231 HB3 GLU2041 2HB GLU2041 -11.662 13.224 4.529 232 HG2 GLU2041 1HG GLU2041 -11.925 14.981 6.074 233 HG3 GLU2041 2HG GLU2041 -11.084 15.768 4.730 234 HE2 GLU2041 HE GLU2041 -13.985 17.754 5.764 235 H ARG2042 H ARG2042 -10.624 16.571 2.623 236 HA ARG2042 HA ARG2042 -8.285 15.509 1.490 237 HB2 ARG2042 1HB ARG2042 -8.755 18.186 2.884 238 HB3 ARG2042 2HB ARG2042 -7.376 17.812 1.837 239 HG2 ARG2042 1HG ARG2042 -10.269 17.615 0.919 240 HG3 ARG2042 2HG ARG2042 -9.316 19.099 0.749 241 HD2 ARG2042 1HD ARG2042 -7.568 17.548 -0.436 242 HD3 ARG2042 2HD ARG2042 -8.910 16.405 -0.595 243 HE ARG2042 HE ARG2042 -9.963 18.797 -1.520 244 HH11 ARG2042 2HH2 ARG2042 -7.095 16.894 -2.365 245 HH12 ARG2042 1HH2 ARG2042 -7.077 17.425 -4.013 246 H ASN2043 H ASN2043 -8.436 13.804 3.492 247 HA ASN2043 HA ASN2043 -6.633 14.880 5.517 248 HB2 ASN2043 1HB ASN2043 -8.861 12.810 5.800 249 HB3 ASN2043 2HB ASN2043 -7.655 13.106 7.063 250 HD21 ASN2043 1HD2 ASN2043 -10.289 13.386 7.609 251 HD22 ASN2043 2HD2 ASN2043 -10.719 15.048 7.835 252 H VAL2044 H VAL2044 -5.021 14.070 3.780 253 HA VAL2044 HA VAL2044 -4.861 11.439 2.969 254 HB VAL2044 HB VAL2044 -2.809 13.598 3.420 255 HG11 VAL2044 1HG1 VAL2044 -1.098 12.305 2.473 256 HG12 VAL2044 2HG1 VAL2044 -1.882 11.196 3.621 257 HG13 VAL2044 3HG1 VAL2044 -2.229 11.066 1.881 258 HG21 VAL2044 3HG2 VAL2044 -4.072 12.421 0.923 259 HG22 VAL2044 1HG2 VAL2044 -4.410 14.017 1.635 260 HG23 VAL2044 2HG2 VAL2044 -2.806 13.671 0.945 261 H LYS2045 H LYS2045 -4.239 12.910 6.103 262 HA LYS2045 HA LYS2045 -2.423 11.162 7.184 263 HB2 LYS2045 1HB LYS2045 -3.372 11.794 9.344 264 HB3 LYS2045 2HB LYS2045 -3.171 13.201 8.285 265 HG2 LYS2045 1HG LYS2045 -5.322 13.613 8.973 266 HG3 LYS2045 2HG LYS2045 -5.716 12.527 7.630 267 HD2 LYS2045 1HD LYS2045 -6.922 11.499 9.301 268 HD3 LYS2045 2HD LYS2045 -5.377 10.669 9.552 269 HE2 LYS2045 1HE LYS2045 -6.161 13.230 10.998 270 HE3 LYS2045 2HE LYS2045 -6.491 11.621 11.657 271 HZ1 LYS2045 2HZ LYS2045 -4.161 11.191 11.761 272 HZ3 LYS2045 1HZ LYS2045 -4.339 12.682 12.386 273 H GLY2046 H GLY2046 -5.984 10.797 6.759 274 HA2 GLY2046 2HA GLY2046 -6.394 8.483 8.200 275 HA3 GLY2046 3HA GLY2046 -7.280 8.961 6.768 276 H MET2047 H MET2047 -5.549 8.790 4.672 277 HA MET2047 HA MET2047 -5.459 6.116 4.150 278 HB2 MET2047 1HB MET2047 -5.363 7.695 2.339 279 HB3 MET2047 2HB MET2047 -3.957 8.527 3.023 280 HG2 MET2047 1HG MET2047 -3.727 5.610 2.274 281 HG3 MET2047 2HG MET2047 -3.688 6.820 0.988 282 HE1 MET2047 3HE MET2047 -1.720 9.293 3.068 283 HE2 MET2047 1HE MET2047 -0.874 8.991 1.532 284 HE3 MET2047 2HE MET2047 -2.653 9.046 1.573 285 H PHE2048 H PHE2048 -2.800 8.304 5.279 286 HA PHE2048 HA PHE2048 -0.795 6.360 5.206 287 HB2 PHE2048 1HB PHE2048 -1.365 8.940 6.742 288 HB3 PHE2048 2HB PHE2048 0.139 8.058 7.027 289 HD1 PHE2048 1HD PHE2048 0.760 7.184 4.254 290 HD2 PHE2048 2HD PHE2048 -0.649 10.906 5.726 291 HE1 PHE2048 1HE PHE2048 1.802 8.353 2.292 292 HE2 PHE2048 2HE PHE2048 0.391 12.076 3.764 293 HZ PHE2048 HZ PHE2048 1.606 10.785 2.071 294 H GLU2049 H GLU2049 -3.273 7.207 7.642 295 HA GLU2049 HA GLU2049 -2.027 5.677 9.673 296 HB2 GLU2049 1HB GLU2049 -4.884 6.707 9.473 297 HB3 GLU2049 2HB GLU2049 -4.096 6.128 10.950 298 HG2 GLU2049 1HG GLU2049 -2.556 8.207 9.532 299 HG3 GLU2049 2HG GLU2049 -4.153 8.769 10.050 300 HE2 GLU2049 HE GLU2049 -1.503 8.994 12.690 301 H VAL2050 H VAL2050 -3.898 4.942 6.875 302 HA VAL2050 HA VAL2050 -5.110 2.574 7.993 303 HB VAL2050 HB VAL2050 -5.536 4.296 5.791 304 HG11 VAL2050 1HG1 VAL2050 -5.882 2.518 3.999 305 HG12 VAL2050 2HG1 VAL2050 -4.197 2.994 4.325 306 HG13 VAL2050 3HG1 VAL2050 -4.832 1.465 4.978 307 HG21 VAL2050 3HG2 VAL2050 -7.028 2.773 7.481 308 HG22 VAL2050 1HG2 VAL2050 -7.659 3.547 6.008 309 HG23 VAL2050 2HG2 VAL2050 -7.171 1.835 5.977 310 H LEU2051 H LEU2051 -2.388 3.491 5.815 311 HA LEU2051 HA LEU2051 -1.690 0.754 5.358 312 HB2 LEU2051 1HB LEU2051 -0.290 3.353 4.752 313 HB3 LEU2051 2HB LEU2051 0.275 1.756 4.230 314 HG LEU2051 HG LEU2051 -0.832 2.222 2.342 315 HD11 LEU2051 1HD1 LEU2051 -3.052 1.453 4.219 316 HD12 LEU2051 2HD1 LEU2051 -3.385 1.812 2.508 317 HD13 LEU2051 3HD1 LEU2051 -2.265 0.498 2.940 318 HD21 LEU2051 3HD2 LEU2051 -3.015 3.960 3.091 319 HD22 LEU2051 1HD2 LEU2051 -1.476 4.559 3.758 320 HD23 LEU2051 2HD2 LEU2051 -1.633 4.264 2.009 321 H GLU2052 H GLU2052 -0.445 3.499 7.357 322 HA GLU2052 HA GLU2052 1.796 2.596 8.338 323 HB2 GLU2052 1HB GLU2052 -0.366 4.237 9.338 324 HB3 GLU2052 2HB GLU2052 0.367 3.346 10.685 325 HG2 GLU2052 1HG GLU2052 1.530 5.465 10.392 326 HG3 GLU2052 2HG GLU2052 2.624 4.157 9.921 327 HE2 GLU2052 HE GLU2052 2.392 4.981 6.503 328 HA PRO2053 HA PRO2053 -0.329 -0.506 11.229 329 HB2 PRO2053 1HB PRO2053 -3.010 -0.974 10.998 330 HB3 PRO2053 2HB PRO2053 -2.325 0.145 12.173 331 HG2 PRO2053 1HG PRO2053 -3.703 0.684 9.622 332 HG3 PRO2053 2HG PRO2053 -3.445 1.794 11.015 333 HD2 PRO2053 1HD PRO2053 -2.090 1.760 8.493 334 HD3 PRO2053 2HD PRO2053 -1.693 2.767 9.892 335 H LEU2054 H LEU2054 -2.212 -0.574 8.236 336 HA LEU2054 HA LEU2054 -2.261 -3.286 7.914 337 HB2 LEU2054 1HB LEU2054 -2.343 -0.931 6.111 338 HB3 LEU2054 2HB LEU2054 -2.132 -2.528 5.370 339 HG LEU2054 HG LEU2054 -4.271 -3.121 5.751 340 HD11 LEU2054 1HD1 LEU2054 -5.569 -2.279 7.814 341 HD12 LEU2054 2HD1 LEU2054 -4.255 -3.456 8.054 342 HD13 LEU2054 3HD1 LEU2054 -3.982 -1.732 8.406 343 HD21 LEU2054 3HD2 LEU2054 -5.456 -0.601 6.355 344 HD22 LEU2054 1HD2 LEU2054 -4.061 -0.319 5.285 345 HD23 LEU2054 2HD2 LEU2054 -5.351 -1.443 4.791 346 H HIS2055 H HIS2055 0.249 -0.986 6.641 347 HA HIS2055 HA HIS2055 1.878 -2.948 5.578 348 HB2 HIS2055 1HB HIS2055 2.443 -0.176 6.622 349 HB3 HIS2055 2HB HIS2055 3.682 -1.168 5.843 350 HD1 HIS2055 1HD HIS2055 3.412 1.182 4.258 351 HD2 HIS2055 2HD HIS2055 0.528 -1.845 3.923 352 HE1 HIS2055 1HE HIS2055 2.245 1.553 2.019 353 HE2 HIS2055 2HE HIS2055 0.476 -0.338 1.862 354 H ALA2056 H ALA2056 2.019 -1.321 8.821 355 HA ALA2056 HA ALA2056 4.205 -2.655 9.807 356 HB1 ALA2056 3HB ALA2056 3.130 -2.178 12.047 357 HB2 ALA2056 1HB ALA2056 3.226 -0.774 10.957 358 HB3 ALA2056 2HB ALA2056 1.683 -1.636 11.164 359 H MET2057 H MET2057 0.707 -3.608 9.954 360 HA MET2057 HA MET2057 0.996 -5.874 11.410 361 HB2 MET2057 1HB MET2057 -1.235 -5.868 10.945 362 HB3 MET2057 2HB MET2057 -0.969 -4.631 9.703 363 HG2 MET2057 1HG MET2057 -0.541 -6.375 8.024 364 HG3 MET2057 2HG MET2057 -0.656 -7.639 9.253 365 HE1 MET2057 3HE MET2057 -2.786 -6.087 6.420 366 HE2 MET2057 1HE MET2057 -2.018 -7.674 6.679 367 HE3 MET2057 2HE MET2057 -3.791 -7.527 6.714 368 H MET2058 H MET2058 1.696 -5.332 7.942 369 HA MET2058 HA MET2058 1.952 -8.065 7.334 370 HB2 MET2058 1HB MET2058 3.104 -5.560 5.998 371 HB3 MET2058 2HB MET2058 3.029 -7.158 5.233 372 HG2 MET2058 1HG MET2058 0.415 -6.388 6.284 373 HG3 MET2058 2HG MET2058 1.035 -5.130 5.209 374 HE1 MET2058 3HE MET2058 -1.415 -6.734 5.043 375 HE2 MET2058 1HE MET2058 -1.572 -7.568 3.479 376 HE3 MET2058 2HE MET2058 -1.106 -8.483 4.932 377 H GLU2059 H GLU2059 4.146 -5.537 8.572 378 HA GLU2059 HA GLU2059 6.490 -7.012 8.045 379 HB2 GLU2059 1HB GLU2059 6.202 -4.853 10.151 380 HB3 GLU2059 2HB GLU2059 7.634 -5.257 9.189 381 HG2 GLU2059 1HG GLU2059 5.137 -3.761 8.395 382 HG3 GLU2059 2HG GLU2059 6.829 -3.322 8.117 383 HE2 GLU2059 HE GLU2059 5.029 -4.800 5.149 384 H ARG2060 H ARG2060 4.838 -6.141 11.176 385 HA ARG2060 HA ARG2060 6.334 -8.062 12.570 386 HB2 ARG2060 1HB ARG2060 4.826 -7.494 14.471 387 HB3 ARG2060 2HB ARG2060 5.433 -6.032 13.671 388 HG2 ARG2060 1HG ARG2060 3.281 -6.024 12.308 389 HG3 ARG2060 2HG ARG2060 2.681 -7.311 13.368 390 HD2 ARG2060 1HD ARG2060 3.788 -4.782 14.589 391 HD3 ARG2060 2HD ARG2060 2.157 -4.751 13.900 392 HE ARG2060 HE ARG2060 2.913 -5.919 16.403 393 HH11 ARG2060 2HH2 ARG2060 0.862 -6.620 13.600 394 HH12 ARG2060 1HH2 ARG2060 -0.248 -7.599 14.500 395 H GLY2061 H GLY2061 3.342 -8.078 10.724 396 HA2 GLY2061 2HA GLY2061 2.670 -10.754 11.794 397 HA3 GLY2061 3HA GLY2061 1.511 -9.609 11.148 398 HA PRO2062 HA PRO2062 4.019 -11.495 7.564 399 HB2 PRO2062 1HB PRO2062 5.321 -13.847 8.051 400 HB3 PRO2062 2HB PRO2062 6.125 -12.281 8.059 401 HG2 PRO2062 1HG PRO2062 5.285 -13.993 10.309 402 HG3 PRO2062 2HG PRO2062 6.506 -12.670 10.300 403 HD2 PRO2062 1HD PRO2062 3.844 -12.630 11.358 404 HD3 PRO2062 2HD PRO2062 4.950 -11.257 11.230 405 H GLN2063 H GLN2063 4.107 -14.083 6.547 406 HA GLN2063 HA GLN2063 1.487 -15.087 7.273 407 HB2 GLN2063 1HB GLN2063 1.992 -13.590 4.919 408 HB3 GLN2063 2HB GLN2063 1.826 -15.275 4.396 409 HG2 GLN2063 1HG GLN2063 -0.166 -14.381 6.410 410 HG3 GLN2063 2HG GLN2063 -0.279 -13.551 4.851 411 HE21 GLN2063 1HE2 GLN2063 -2.177 -14.477 4.244 412 HE22 GLN2063 2HE2 GLN2063 -2.362 -16.149 3.825 413 H THR2064 H THR2064 3.990 -15.690 4.695 414 HA THR2064 HA THR2064 5.014 -18.001 5.940 415 HB THR2064 HB THR2064 2.810 -18.974 5.432 416 HG1 THR2064 1HG THR2064 3.730 -20.672 4.138 417 HG21 THR2064 3HG2 THR2064 3.411 -18.085 2.559 418 HG22 THR2064 1HG2 THR2064 2.088 -19.177 3.033 419 HG23 THR2064 2HG2 THR2064 2.079 -17.484 3.576 420 H LEU2065 H LEU2065 6.300 -19.353 4.190 421 HA LEU2065 HA LEU2065 8.147 -17.603 3.105 422 HB2 LEU2065 1HB LEU2065 8.061 -20.221 3.634 423 HB3 LEU2065 2HB LEU2065 7.853 -20.281 1.874 424 HG LEU2065 HG LEU2065 10.152 -20.530 2.244 425 HD11 LEU2065 1HD1 LEU2065 11.181 -18.450 1.353 426 HD12 LEU2065 2HD1 LEU2065 9.733 -18.971 0.457 427 HD13 LEU2065 3HD1 LEU2065 9.630 -17.615 1.605 428 HD21 LEU2065 3HD2 LEU2065 10.868 -20.053 4.309 429 HD22 LEU2065 1HD2 LEU2065 11.204 -18.430 3.662 430 HD23 LEU2065 2HD2 LEU2065 9.679 -18.747 4.526 431 H LYS2066 H LYS2066 5.073 -18.827 1.849 432 HA LYS2066 HA LYS2066 5.618 -18.220 -0.863 433 HB2 LYS2066 1HB LYS2066 3.950 -19.860 -0.143 434 HB3 LYS2066 2HB LYS2066 2.975 -18.571 0.583 435 HG2 LYS2066 1HG LYS2066 2.542 -17.576 -1.552 436 HG3 LYS2066 2HG LYS2066 3.796 -18.542 -2.349 437 HD2 LYS2066 1HD LYS2066 1.679 -20.099 -0.961 438 HD3 LYS2066 2HD LYS2066 1.112 -19.156 -2.350 439 HE2 LYS2066 1HE LYS2066 2.222 -20.480 -3.846 440 HE3 LYS2066 2HE LYS2066 3.646 -20.650 -2.808 441 HZ1 LYS2066 2HZ LYS2066 2.102 -22.156 -1.424 442 HZ3 LYS2066 1HZ LYS2066 2.668 -22.765 -2.824 443 H GLU2067 H GLU2067 4.386 -16.413 1.957 444 HA GLU2067 HA GLU2067 3.657 -14.202 0.287 445 HB2 GLU2067 1HB GLU2067 2.594 -15.058 2.564 446 HB3 GLU2067 2HB GLU2067 3.824 -14.009 3.292 447 HG2 GLU2067 1HG GLU2067 1.909 -12.627 3.045 448 HG3 GLU2067 2HG GLU2067 2.949 -12.171 1.686 449 HE2 GLU2067 HE GLU2067 0.210 -12.681 -0.309 450 H THR2068 H THR2068 6.478 -15.416 1.894 451 HA THR2068 HA THR2068 7.770 -13.090 2.671 452 HB THR2068 HB THR2068 8.798 -15.749 1.549 453 HG1 THR2068 1HG THR2068 7.432 -15.598 3.563 454 HG21 THR2068 3HG2 THR2068 10.220 -13.601 3.210 455 HG22 THR2068 1HG2 THR2068 10.872 -15.215 2.837 456 HG23 THR2068 2HG2 THR2068 10.619 -14.031 1.530 457 H SER2069 H SER2069 7.243 -14.456 -0.573 458 HA SER2069 HA SER2069 9.169 -12.770 -1.765 459 HB2 SER2069 1HB SER2069 7.259 -14.835 -2.585 460 HB3 SER2069 2HB SER2069 7.357 -13.521 -3.770 461 HG SER2069 HG SER2069 9.093 -14.594 -4.440 462 H PHE2070 H PHE2070 5.660 -12.638 -1.066 463 HA PHE2070 HA PHE2070 5.045 -10.477 -2.726 464 HB2 PHE2070 1HB PHE2070 3.401 -12.004 -1.644 465 HB3 PHE2070 2HB PHE2070 3.952 -11.507 -0.041 466 HD1 PHE2070 2HD PHE2070 3.557 -9.079 0.634 467 HD2 PHE2070 1HD PHE2070 1.674 -10.869 -2.721 468 HE1 PHE2070 2HE PHE2070 1.801 -7.286 0.661 469 HE2 PHE2070 1HE PHE2070 -0.082 -9.076 -2.693 470 HZ PHE2070 HZ PHE2070 0.002 -7.305 -1.002 471 H ASN2071 H ASN2071 5.838 -10.614 0.820 472 HA ASN2071 HA ASN2071 5.668 -7.877 1.179 473 HB2 ASN2071 1HB ASN2071 5.923 -9.952 2.855 474 HB3 ASN2071 2HB ASN2071 7.639 -9.523 2.783 475 HD21 ASN2071 1HD2 ASN2071 4.527 -7.783 2.863 476 HD22 ASN2071 2HD2 ASN2071 4.912 -6.706 4.165 477 H GLN2072 H GLN2072 8.184 -10.043 -0.085 478 HA GLN2072 HA GLN2072 10.290 -8.172 0.249 479 HB2 GLN2072 1HB GLN2072 9.957 -10.852 -1.082 480 HB3 GLN2072 2HB GLN2072 11.393 -9.882 -1.459 481 HG2 GLN2072 1HG GLN2072 10.703 -10.108 1.430 482 HG3 GLN2072 2HG GLN2072 11.208 -11.619 0.661 483 HE21 GLN2072 1HE2 GLN2072 13.231 -11.651 -0.480 484 HE22 GLN2072 2HE2 GLN2072 14.544 -10.636 0.015 485 H ALA2073 H ALA2073 8.428 -9.471 -2.593 486 HA ALA2073 HA ALA2073 9.552 -8.091 -4.610 487 HB1 ALA2073 3HB ALA2073 7.523 -8.434 -5.782 488 HB2 ALA2073 1HB ALA2073 7.554 -9.729 -4.561 489 HB3 ALA2073 2HB ALA2073 6.543 -8.287 -4.302 490 H TYR2074 H TYR2074 6.930 -6.851 -2.421 491 HA TYR2074 HA TYR2074 7.324 -4.192 -3.520 492 HB2 TYR2074 1HB TYR2074 5.557 -5.282 -1.251 493 HB3 TYR2074 2HB TYR2074 5.299 -3.766 -2.120 494 HD1 TYR2074 2HD TYR2074 5.586 -4.581 -4.930 495 HD2 TYR2074 1HD TYR2074 3.697 -6.610 -1.672 496 HE1 TYR2074 2HE TYR2074 4.065 -5.799 -6.563 497 HE2 TYR2074 1HE TYR2074 2.180 -7.821 -3.316 498 HH TYR2074 HH TYR2074 2.498 -7.259 -6.812 499 H GLY2075 H GLY2075 8.517 -6.159 -0.936 500 HA2 GLY2075 2HA GLY2075 8.775 -4.659 1.264 501 HA3 GLY2075 3HA GLY2075 10.082 -5.635 0.621 502 H ARG2076 H ARG2076 10.703 -4.237 -1.782 503 HA ARG2076 HA ARG2076 12.143 -2.086 -0.628 504 HB2 ARG2076 1HB ARG2076 12.470 -3.811 -2.821 505 HB3 ARG2076 2HB ARG2076 12.199 -2.231 -3.574 506 HG2 ARG2076 1HG ARG2076 14.384 -3.098 -1.668 507 HG3 ARG2076 2HG ARG2076 14.548 -2.310 -3.246 508 HD2 ARG2076 1HD ARG2076 13.164 -0.382 -1.953 509 HD3 ARG2076 2HD ARG2076 13.951 -1.120 -0.549 510 HE ARG2076 HE ARG2076 15.967 -0.193 -1.271 511 HH11 ARG2076 2HH2 ARG2076 13.747 -0.314 -4.030 512 HH12 ARG2076 1HH2 ARG2076 14.821 0.536 -5.091 513 H ASP2077 H ASP2077 9.582 -2.489 -3.170 514 HA ASP2077 HA ASP2077 9.365 0.070 -3.984 515 HB2 ASP2077 1HB ASP2077 7.146 -1.951 -3.456 516 HB3 ASP2077 2HB ASP2077 6.930 -0.482 -4.420 517 HD2 ASP2077 HD ASP2077 7.481 -2.699 -7.011 518 H LEU2078 H LEU2078 7.508 -1.577 -1.307 519 HA LEU2078 HA LEU2078 6.081 0.607 -0.439 520 HB2 LEU2078 1HB LEU2078 7.139 -1.813 0.997 521 HB3 LEU2078 2HB LEU2078 6.061 -0.635 1.764 522 HG LEU2078 HG LEU2078 5.505 -2.596 -0.447 523 HD11 LEU2078 1HD1 LEU2078 4.310 -3.653 1.098 524 HD12 LEU2078 2HD1 LEU2078 4.980 -2.523 2.300 525 HD13 LEU2078 3HD1 LEU2078 3.421 -2.169 1.517 526 HD21 LEU2078 3HD2 LEU2078 4.197 0.064 -0.028 527 HD22 LEU2078 1HD2 LEU2078 4.559 -0.812 -1.535 528 HD23 LEU2078 2HD2 LEU2078 3.199 -1.328 -0.509 529 H MET2079 H MET2079 9.467 -0.363 0.227 530 HA MET2079 HA MET2079 9.908 1.383 2.315 531 HB2 MET2079 1HB MET2079 11.360 -0.455 0.713 532 HB3 MET2079 2HB MET2079 12.232 1.077 0.532 533 HG2 MET2079 1HG MET2079 11.719 0.999 3.259 534 HG3 MET2079 2HG MET2079 11.985 -0.708 2.891 535 HE1 MET2079 3HE MET2079 14.938 2.772 2.430 536 HE2 MET2079 1HE MET2079 13.593 2.642 1.270 537 HE3 MET2079 2HE MET2079 13.254 2.835 3.007 538 H GLU2080 H GLU2080 10.311 1.814 -1.255 539 HA GLU2080 HA GLU2080 11.418 4.347 -1.087 540 HB2 GLU2080 1HB GLU2080 11.513 2.952 -3.104 541 HB3 GLU2080 2HB GLU2080 9.757 3.085 -3.314 542 HG2 GLU2080 1HG GLU2080 9.889 5.382 -3.869 543 HG3 GLU2080 2HG GLU2080 11.505 5.564 -3.171 544 HE2 GLU2080 HE GLU2080 11.195 4.847 -6.952 545 H ALA2081 H ALA2081 7.990 3.300 -1.707 546 HA ALA2081 HA ALA2081 6.879 5.813 -1.887 547 HB1 ALA2081 3HB ALA2081 5.640 3.319 -0.658 548 HB2 ALA2081 1HB ALA2081 4.778 4.683 -1.411 549 HB3 ALA2081 2HB ALA2081 5.795 3.613 -2.406 550 H GLN2082 H GLN2082 7.692 3.819 0.998 551 HA GLN2082 HA GLN2082 6.405 5.419 2.844 552 HB2 GLN2082 1HB GLN2082 7.210 3.178 3.367 553 HB3 GLN2082 2HB GLN2082 8.894 3.682 3.137 554 HG2 GLN2082 1HG GLN2082 8.993 4.369 5.279 555 HG3 GLN2082 2HG GLN2082 7.637 5.476 5.020 556 HE21 GLN2082 1HE2 GLN2082 8.193 4.081 7.403 557 HE22 GLN2082 2HE2 GLN2082 6.901 2.976 7.733 558 H GLU2083 H GLU2083 9.666 5.623 1.350 559 HA GLU2083 HA GLU2083 10.631 7.589 3.067 560 HB2 GLU2083 1HB GLU2083 12.496 7.149 1.908 561 HB3 GLU2083 2HB GLU2083 11.560 6.116 0.816 562 HG2 GLU2083 1HG GLU2083 10.976 8.197 -0.504 563 HG3 GLU2083 2HG GLU2083 12.093 9.108 0.521 564 HE2 GLU2083 HE GLU2083 13.504 7.309 -2.577 565 H TRP2084 H TRP2084 8.682 7.681 0.066 566 HA TRP2084 HA TRP2084 8.934 10.507 -0.252 567 HB2 TRP2084 1HB TRP2084 7.063 8.473 -1.465 568 HB3 TRP2084 2HB TRP2084 7.113 10.178 -1.920 569 HD1 TRP2084 HD TRP2084 8.800 6.891 -2.657 570 HE1 TRP2084 1HE TRP2084 10.784 7.136 -4.381 571 HE3 TRP2084 3HE TRP2084 9.000 11.970 -2.507 572 HZ2 TRP2084 2HZ TRP2084 12.180 9.377 -5.465 573 HZ3 TRP2084 3HZ TRP2084 10.703 13.107 -3.927 574 HH2 TRP2084 HH TRP2084 12.258 11.895 -5.372 575 H CYS2085 H CYS2085 7.014 8.261 1.657 576 HA CYS2085 HA CYS2085 4.760 9.885 2.016 577 HB2 CYS2085 1HB CYS2085 4.644 7.539 2.485 578 HB3 CYS2085 2HB CYS2085 5.914 7.655 3.718 579 HG CYS2085 HG CYS2085 3.436 7.329 4.725 580 H ARG2086 H ARG2086 7.641 9.204 4.145 581 HA ARG2086 HA ARG2086 6.988 11.137 6.002 582 HB2 ARG2086 1HB ARG2086 9.212 10.787 6.888 583 HB3 ARG2086 2HB ARG2086 8.659 9.222 6.266 584 HG2 ARG2086 1HG ARG2086 9.872 10.398 4.051 585 HG3 ARG2086 2HG ARG2086 10.911 10.922 5.389 586 HD2 ARG2086 1HD ARG2086 10.065 8.037 4.872 587 HD3 ARG2086 2HD ARG2086 11.612 8.724 4.353 588 HE ARG2086 HE ARG2086 12.274 8.908 6.670 589 HH11 ARG2086 2HH2 ARG2086 9.115 7.358 6.254 590 HH12 ARG2086 1HH2 ARG2086 9.104 6.670 7.843 591 H LYS2087 H LYS2087 8.614 11.281 2.857 592 HA LYS2087 HA LYS2087 10.015 13.670 3.195 593 HB2 LYS2087 1HB LYS2087 9.327 11.839 1.070 594 HB3 LYS2087 2HB LYS2087 9.224 13.516 0.507 595 HG2 LYS2087 1HG LYS2087 11.487 13.953 1.049 596 HG3 LYS2087 2HG LYS2087 11.607 12.548 2.124 597 HD2 LYS2087 1HD LYS2087 11.966 11.088 0.388 598 HD3 LYS2087 2HD LYS2087 10.922 11.977 -0.734 599 HE2 LYS2087 1HE LYS2087 12.708 13.031 -1.622 600 HE3 LYS2087 2HE LYS2087 13.228 13.607 -0.031 601 HZ1 LYS2087 2HZ LYS2087 13.755 10.810 -0.470 602 HZ3 LYS2087 1HZ LYS2087 14.764 11.969 0.068 603 H TYR2088 H TYR2088 6.675 13.009 1.948 604 HA TYR2088 HA TYR2088 6.092 15.759 1.589 605 HB2 TYR2088 1HB TYR2088 4.739 14.260 0.348 606 HB3 TYR2088 2HB TYR2088 4.754 13.041 1.625 607 HD1 TYR2088 2HD TYR2088 3.177 13.235 3.540 608 HD2 TYR2088 1HD TYR2088 3.019 15.923 0.216 609 HE1 TYR2088 2HE TYR2088 0.838 13.959 4.227 610 HE2 TYR2088 1HE TYR2088 0.681 16.641 0.914 611 HH TYR2088 HH TYR2088 -0.835 15.255 3.817 612 H MET2089 H MET2089 5.313 13.325 4.158 613 HA MET2089 HA MET2089 3.686 14.954 5.647 614 HB2 MET2089 1HB MET2089 5.559 12.642 6.279 615 HB3 MET2089 2HB MET2089 4.633 13.405 7.582 616 HG2 MET2089 1HG MET2089 2.610 13.028 5.852 617 HG3 MET2089 2HG MET2089 3.673 11.752 5.250 618 HE1 MET2089 3HE MET2089 0.676 10.648 7.215 619 HE2 MET2089 1HE MET2089 0.840 11.951 8.416 620 HE3 MET2089 2HE MET2089 0.933 12.324 6.679 621 H LYS2090 H LYS2090 7.235 14.827 5.394 622 HA LYS2090 HA LYS2090 7.509 16.620 7.666 623 HB2 LYS2090 1HB LYS2090 9.015 14.715 7.496 624 HB3 LYS2090 2HB LYS2090 9.586 15.274 5.914 625 HG2 LYS2090 1HG LYS2090 10.970 15.853 8.060 626 HG3 LYS2090 2HG LYS2090 10.720 17.122 6.846 627 HD2 LYS2090 1HD LYS2090 8.858 18.038 8.161 628 HD3 LYS2090 2HD LYS2090 9.005 16.725 9.345 629 HE2 LYS2090 1HE LYS2090 11.132 18.818 8.709 630 HE3 LYS2090 2HE LYS2090 10.099 18.814 10.146 631 HZ1 LYS2090 2HZ LYS2090 11.235 16.333 10.136 632 HZ3 LYS2090 1HZ LYS2090 11.749 17.584 11.042 633 H SER2091 H SER2091 8.453 16.490 4.158 634 HA SER2091 HA SER2091 9.120 19.213 4.137 635 HB2 SER2091 1HB SER2091 9.899 17.331 2.561 636 HB3 SER2091 2HB SER2091 8.367 17.560 1.700 637 HG SER2091 HG SER2091 9.876 18.864 0.665 638 H GLY2092 H GLY2092 6.425 17.422 2.456 639 HA2 GLY2092 2HA GLY2092 4.163 18.075 2.657 640 HA3 GLY2092 3HA GLY2092 4.665 19.719 3.001 641 H ASN2093 H ASN2093 4.498 17.202 0.434 642 HA ASN2093 HA ASN2093 3.997 19.302 -1.452 643 HB2 ASN2093 1HB ASN2093 6.601 18.200 -1.235 644 HB3 ASN2093 2HB ASN2093 5.891 17.404 -2.647 645 HD21 ASN2093 1HD2 ASN2093 7.916 18.836 -3.282 646 HD22 ASN2093 2HD2 ASN2093 7.526 20.378 -3.966 647 H VAL2094 H VAL2094 2.232 18.538 -2.627 648 HA VAL2094 HA VAL2094 1.238 15.970 -2.326 649 HB VAL2094 HB VAL2094 0.167 18.192 -3.114 650 HG11 VAL2094 1HG1 VAL2094 1.535 18.592 -5.075 651 HG12 VAL2094 2HG1 VAL2094 1.063 17.023 -5.771 652 HG13 VAL2094 3HG1 VAL2094 -0.149 18.313 -5.580 653 HG21 VAL2094 3HG2 VAL2094 -0.751 15.683 -2.976 654 HG22 VAL2094 1HG2 VAL2094 -1.725 17.020 -3.634 655 HG23 VAL2094 2HG2 VAL2094 -0.874 15.913 -4.737 656 H LYS2095 H LYS2095 3.662 17.315 -4.535 657 HA LYS2095 HA LYS2095 3.559 15.363 -6.512 658 HB2 LYS2095 1HB LYS2095 4.736 17.512 -6.686 659 HB3 LYS2095 2HB LYS2095 5.952 16.946 -5.525 660 HG2 LYS2095 1HG LYS2095 6.814 15.354 -7.025 661 HG3 LYS2095 2HG LYS2095 5.339 15.318 -8.007 662 HD2 LYS2095 1HD LYS2095 5.940 17.188 -9.206 663 HD3 LYS2095 2HD LYS2095 6.774 17.943 -7.837 664 HE2 LYS2095 1HE LYS2095 8.729 16.609 -8.172 665 HE3 LYS2095 2HE LYS2095 7.883 15.476 -9.235 666 HZ1 LYS2095 2HZ LYS2095 9.343 17.585 -10.085 667 HZ3 LYS2095 1HZ LYS2095 7.841 18.207 -10.161 668 H ASP2096 H ASP2096 5.460 15.523 -3.432 669 HA ASP2096 HA ASP2096 6.714 13.073 -3.875 670 HB2 ASP2096 1HB ASP2096 6.067 14.224 -1.142 671 HB3 ASP2096 2HB ASP2096 7.488 13.276 -1.611 672 HD2 ASP2096 HD ASP2096 8.801 16.521 -1.341 673 H LEU2097 H LEU2097 3.703 14.139 -2.197 674 HA LEU2097 HA LEU2097 3.123 11.690 -0.963 675 HB2 LEU2097 1HB LEU2097 1.948 13.337 -0.015 676 HB3 LEU2097 2HB LEU2097 1.742 14.241 -1.526 677 HG LEU2097 HG LEU2097 -0.142 12.987 -2.146 678 HD11 LEU2097 1HD1 LEU2097 1.117 10.876 -0.602 679 HD12 LEU2097 2HD1 LEU2097 -0.620 11.014 -0.235 680 HD13 LEU2097 3HD1 LEU2097 -0.082 10.778 -1.916 681 HD21 LEU2097 3HD2 LEU2097 -1.073 12.804 0.561 682 HD22 LEU2097 1HD2 LEU2097 -0.048 14.249 0.386 683 HD23 LEU2097 2HD2 LEU2097 -1.451 14.019 -0.684 684 H THR2098 H THR2098 2.118 13.133 -4.127 685 HA THR2098 HA THR2098 0.459 11.028 -4.904 686 HB THR2098 HB THR2098 2.092 13.145 -6.383 687 HG1 THR2098 1HG THR2098 0.245 14.184 -5.750 688 HG21 THR2098 3HG2 THR2098 1.099 10.822 -7.605 689 HG22 THR2098 1HG2 THR2098 -0.250 11.974 -7.764 690 HG23 THR2098 2HG2 THR2098 1.354 12.384 -8.420 691 H GLN2099 H GLN2099 4.008 11.490 -5.250 692 HA GLN2099 HA GLN2099 4.423 9.355 -6.934 693 HB2 GLN2099 1HB GLN2099 5.985 11.212 -5.430 694 HB3 GLN2099 2HB GLN2099 6.637 9.600 -5.098 695 HG2 GLN2099 1HG GLN2099 5.984 10.000 -7.937 696 HG3 GLN2099 2HG GLN2099 7.167 11.181 -7.353 697 HE21 GLN2099 1HE2 GLN2099 6.434 7.835 -7.958 698 HE22 GLN2099 2HE2 GLN2099 8.031 7.188 -7.788 699 H ALA2100 H ALA2100 4.496 9.520 -3.310 700 HA ALA2100 HA ALA2100 5.177 6.876 -2.861 701 HB1 ALA2100 3HB ALA2100 3.275 8.447 -1.109 702 HB2 ALA2100 1HB ALA2100 4.556 7.310 -0.629 703 HB3 ALA2100 2HB ALA2100 4.986 8.917 -1.264 704 H TRP2101 H TRP2101 1.933 8.434 -3.258 705 HA TRP2101 HA TRP2101 0.445 6.119 -2.811 706 HB2 TRP2101 1HB TRP2101 -0.009 8.822 -3.523 707 HB3 TRP2101 2HB TRP2101 -0.860 7.822 -4.702 708 HD1 TRP2101 HD TRP2101 -1.583 9.439 -1.557 709 HE1 TRP2101 1HE TRP2101 -3.555 8.359 -0.175 710 HE3 TRP2101 3HE TRP2101 -1.661 5.039 -4.107 711 HZ2 TRP2101 2HZ TRP2101 -4.895 5.843 -0.300 712 HZ3 TRP2101 3HZ TRP2101 -3.332 3.325 -3.413 713 HH2 TRP2101 HH TRP2101 -4.913 3.671 -1.581 714 H ASP2102 H ASP2102 2.079 7.498 -5.701 715 HA ASP2102 HA ASP2102 0.923 5.892 -7.593 716 HB2 ASP2102 1HB ASP2102 2.924 7.816 -7.495 717 HB3 ASP2102 2HB ASP2102 3.824 6.370 -7.975 718 HD2 ASP2102 HD ASP2102 2.932 6.844 -11.206 719 H LEU2103 H LEU2103 3.981 5.475 -5.661 720 HA LEU2103 HA LEU2103 4.783 3.063 -6.726 721 HB2 LEU2103 1HB LEU2103 5.192 4.480 -4.135 722 HB3 LEU2103 2HB LEU2103 5.785 2.818 -4.317 723 HG LEU2103 HG LEU2103 6.920 3.775 -6.480 724 HD11 LEU2103 1HD1 LEU2103 6.455 6.296 -4.864 725 HD12 LEU2103 2HD1 LEU2103 7.618 6.142 -6.202 726 HD13 LEU2103 3HD1 LEU2103 5.877 5.945 -6.511 727 HD21 LEU2103 3HD2 LEU2103 8.933 4.088 -5.285 728 HD22 LEU2103 1HD2 LEU2103 8.075 4.597 -3.812 729 HD23 LEU2103 2HD2 LEU2103 7.987 2.903 -4.351 730 H TYR2104 H TYR2104 2.723 3.677 -3.797 731 HA TYR2104 HA TYR2104 2.253 1.045 -3.146 732 HB2 TYR2104 1HB TYR2104 0.585 3.624 -3.081 733 HB3 TYR2104 2HB TYR2104 0.052 2.158 -2.250 734 HD1 TYR2104 2HD TYR2104 2.828 1.276 -1.280 735 HD2 TYR2104 1HD TYR2104 0.821 5.054 -1.198 736 HE1 TYR2104 2HE TYR2104 4.186 1.962 0.758 737 HE2 TYR2104 1HE TYR2104 2.185 5.727 0.840 738 HH TYR2104 HH TYR2104 4.513 3.459 2.279 739 H TYR2105 H TYR2105 0.187 3.217 -5.207 740 HA TYR2105 HA TYR2105 -1.772 1.445 -5.848 741 HB2 TYR2105 1HB TYR2105 -0.984 3.980 -6.526 742 HB3 TYR2105 2HB TYR2105 -0.478 3.154 -8.003 743 HD1 TYR2105 2HD TYR2105 -2.751 1.107 -8.088 744 HD2 TYR2105 1HD TYR2105 -2.724 5.329 -7.400 745 HE1 TYR2105 2HE TYR2105 -5.130 1.272 -8.971 746 HE2 TYR2105 1HE TYR2105 -5.103 5.481 -8.285 747 HH TYR2105 HH TYR2105 -6.509 4.094 -9.911 748 H HIS2106 H HIS2106 1.553 1.646 -7.183 749 HA HIS2106 HA HIS2106 1.105 -0.065 -9.345 750 HB2 HIS2106 1HB HIS2106 3.018 1.489 -9.063 751 HB3 HIS2106 2HB HIS2106 3.679 0.418 -7.823 752 HD1 HIS2106 1HD HIS2106 3.940 -2.236 -8.835 753 HD2 HIS2106 2HD HIS2106 4.076 0.993 -11.508 754 HE1 HIS2106 1HE HIS2106 5.088 -3.100 -10.943 755 HE2 HIS2106 2HE HIS2106 5.149 -1.073 -12.558 756 H VAL2107 H VAL2107 2.186 -0.641 -5.944 757 HA VAL2107 HA VAL2107 2.427 -3.457 -6.391 758 HB VAL2107 HB VAL2107 3.340 -3.519 -4.322 759 HG11 VAL2107 1HG1 VAL2107 3.530 -0.517 -4.535 760 HG12 VAL2107 2HG1 VAL2107 4.763 -1.693 -4.020 761 HG13 VAL2107 3HG1 VAL2107 4.312 -1.571 -5.737 762 HG21 VAL2107 3HG2 VAL2107 1.217 -2.979 -3.157 763 HG22 VAL2107 1HG2 VAL2107 2.635 -2.235 -2.381 764 HG23 VAL2107 2HG2 VAL2107 1.555 -1.245 -3.390 765 H PHE2108 H PHE2108 -0.023 -1.164 -5.157 766 HA PHE2108 HA PHE2108 -1.703 -3.180 -4.090 767 HB2 PHE2108 1HB PHE2108 -1.731 -0.243 -4.789 768 HB3 PHE2108 2HB PHE2108 -3.316 -1.005 -4.616 769 HD1 PHE2108 1HD PHE2108 -0.177 -0.172 -2.870 770 HD2 PHE2108 2HD PHE2108 -4.158 -1.585 -2.464 771 HE1 PHE2108 1HE PHE2108 -0.024 0.111 -0.381 772 HE2 PHE2108 2HE PHE2108 -4.003 -1.303 0.024 773 HZ PHE2108 HZ PHE2108 -1.939 -0.458 1.037 774 H ARG2109 H ARG2109 -1.268 -1.670 -7.289 775 HA ARG2109 HA ARG2109 -3.748 -2.652 -8.245 776 HB2 ARG2109 1HB ARG2109 -3.066 -1.725 -10.379 777 HB3 ARG2109 2HB ARG2109 -2.546 -0.585 -9.127 778 HG2 ARG2109 1HG ARG2109 -0.267 -1.382 -9.254 779 HG3 ARG2109 2HG ARG2109 -0.730 -2.737 -10.298 780 HD2 ARG2109 1HD ARG2109 0.172 -1.156 -11.800 781 HD3 ARG2109 2HD ARG2109 -1.572 -0.887 -11.946 782 HE ARG2109 HE ARG2109 -0.850 0.859 -9.945 783 HH11 ARG2109 2HH2 ARG2109 0.418 0.304 -13.206 784 HH12 ARG2109 1HH2 ARG2109 0.945 1.940 -13.414 785 H ARG2110 H ARG2110 -0.360 -3.725 -8.105 786 HA ARG2110 HA ARG2110 -0.584 -5.656 -10.113 787 HB2 ARG2110 1HB ARG2110 1.562 -4.673 -9.177 788 HB3 ARG2110 2HB ARG2110 1.325 -5.656 -7.723 789 HG2 ARG2110 1HG ARG2110 2.820 -6.874 -9.147 790 HG3 ARG2110 2HG ARG2110 1.254 -7.698 -9.268 791 HD2 ARG2110 1HD ARG2110 0.792 -6.445 -11.376 792 HD3 ARG2110 2HD ARG2110 2.379 -5.670 -11.260 793 HE ARG2110 HE ARG2110 3.003 -8.345 -11.134 794 HH11 ARG2110 2HH2 ARG2110 1.033 -6.461 -13.397 795 HH12 ARG2110 1HH2 ARG2110 1.354 -7.505 -14.740 796 H ILE2111 H ILE2111 -0.722 -5.775 -6.484 797 HA ILE2111 HA ILE2111 -0.961 -8.427 -6.059 798 HB ILE2111 HB ILE2111 -2.516 -7.731 -4.152 799 HG12 ILE2111 1HG1 ILE2111 -1.831 -4.984 -5.222 800 HG13 ILE2111 2HG1 ILE2111 -3.444 -5.723 -5.221 801 HG21 ILE2111 1HG2 ILE2111 0.108 -7.890 -4.291 802 HG22 ILE2111 2HG2 ILE2111 0.007 -6.123 -4.100 803 HG23 ILE2111 3HG2 ILE2111 -0.699 -7.194 -2.865 804 HD11 ILE2111 3HD1 ILE2111 -3.284 -4.240 -3.302 805 HD12 ILE2111 1HD1 ILE2111 -3.254 -5.913 -2.695 806 HD13 ILE2111 2HD1 ILE2111 -1.743 -4.977 -2.801 807 H SER2112 H SER2112 -3.301 -6.263 -7.614 808 HA SER2112 HA SER2112 -5.301 -8.336 -7.532 809 HB2 SER2112 1HB SER2112 -5.917 -5.955 -7.148 810 HB3 SER2112 2HB SER2112 -5.391 -5.560 -8.795 811 HG SER2112 HG SER2112 -7.686 -5.885 -8.698 812 H LYS2113 H LYS2113 -3.597 -6.287 -10.016 813 HA LYS2113 HA LYS2113 -4.487 -7.415 -12.285 814 HB2 LYS2113 1HB LYS2113 -2.391 -5.742 -11.518 815 HB3 LYS2113 2HB LYS2113 -1.612 -7.039 -12.441 816 HG2 LYS2113 1HG LYS2113 -2.211 -5.506 -14.109 817 HG3 LYS2113 2HG LYS2113 -3.568 -6.647 -14.156 818 HD2 LYS2113 1HD LYS2113 -4.994 -5.152 -12.974 819 HD3 LYS2113 2HD LYS2113 -3.642 -4.144 -12.429 820 HE2 LYS2113 1HE LYS2113 -4.506 -2.854 -14.169 821 HE3 LYS2113 2HE LYS2113 -3.271 -3.779 -15.035 822 HZ1 LYS2113 2HZ LYS2113 -5.989 -3.727 -15.570 823 HZ3 LYS2113 1HZ LYS2113 -5.717 -5.213 -14.962 824 H GLN2114 H GLN2114 -4.168 -9.274 -13.508 825 HA GLN2114 HA GLN2114 -2.780 -11.376 -12.053 826 HB2 GLN2114 1HB GLN2114 -5.346 -11.314 -13.053 827 HB3 GLN2114 2HB GLN2114 -4.482 -12.160 -14.349 828 HG2 GLN2114 1HG GLN2114 -3.558 -13.205 -11.843 829 HG3 GLN2114 2HG GLN2114 -5.325 -13.171 -11.780 830 HE21 GLN2114 1HE2 GLN2114 -4.760 -15.543 -11.670 831 HE22 GLN2114 2HE2 GLN2114 -4.717 -16.427 -13.158 Start of MODEL 18 1 H MET2014 H MET2014 0.588 -21.034 -12.389 2 HA MET2014 HA MET2014 0.828 -18.971 -10.450 3 HB2 MET2014 1HB MET2014 -0.519 -19.476 -12.968 4 HB3 MET2014 2HB MET2014 -1.724 -18.904 -11.801 5 HG2 MET2014 1HG MET2014 0.878 -17.424 -11.871 6 HG3 MET2014 2HG MET2014 -0.158 -17.233 -13.289 7 HE1 MET2014 3HE MET2014 0.813 -15.690 -10.172 8 HE2 MET2014 1HE MET2014 0.557 -14.749 -11.661 9 HE3 MET2014 2HE MET2014 -0.401 -14.389 -10.205 10 H GLU2015 H GLU2015 -1.620 -18.256 -9.565 11 HA GLU2015 HA GLU2015 -2.468 -20.626 -8.093 12 HB2 GLU2015 1HB GLU2015 -1.738 -17.945 -7.261 13 HB3 GLU2015 2HB GLU2015 -3.395 -18.304 -6.750 14 HG2 GLU2015 1HG GLU2015 -1.600 -20.577 -6.317 15 HG3 GLU2015 2HG GLU2015 -1.017 -19.128 -5.481 16 HE2 GLU2015 HE GLU2015 -3.171 -20.192 -2.996 17 H LEU2016 H LEU2016 -3.316 -18.677 -10.658 18 HA LEU2016 HA LEU2016 -5.193 -18.222 -11.728 19 HB2 LEU2016 1HB LEU2016 -6.050 -20.621 -10.141 20 HB3 LEU2016 2HB LEU2016 -7.133 -19.827 -11.296 21 HG LEU2016 HG LEU2016 -5.547 -21.918 -11.893 22 HD11 LEU2016 1HD1 LEU2016 -6.849 -21.619 -13.669 23 HD12 LEU2016 2HD1 LEU2016 -6.973 -19.867 -13.374 24 HD13 LEU2016 3HD1 LEU2016 -5.601 -20.518 -14.302 25 HD21 LEU2016 3HD2 LEU2016 -3.895 -19.478 -12.605 26 HD22 LEU2016 1HD2 LEU2016 -3.456 -20.771 -11.462 27 HD23 LEU2016 2HD2 LEU2016 -3.606 -21.132 -13.199 28 H ILE2017 H ILE2017 -7.620 -19.208 -9.538 29 HA ILE2017 HA ILE2017 -8.712 -16.733 -9.234 30 HB ILE2017 HB ILE2017 -9.240 -19.340 -8.407 31 HG12 ILE2017 1HG1 ILE2017 -11.427 -18.054 -7.589 32 HG13 ILE2017 2HG1 ILE2017 -10.683 -16.735 -8.511 33 HG21 ILE2017 1HG2 ILE2017 -8.139 -18.649 -6.226 34 HG22 ILE2017 2HG2 ILE2017 -9.509 -17.536 -5.997 35 HG23 ILE2017 3HG2 ILE2017 -9.796 -19.289 -6.111 36 HD11 ILE2017 3HD1 ILE2017 -10.377 -19.017 -10.141 37 HD12 ILE2017 1HD1 ILE2017 -12.016 -19.160 -9.461 38 HD13 ILE2017 2HD1 ILE2017 -11.555 -17.701 -10.367 39 H ARG2018 H ARG2018 -9.091 -15.704 -6.882 40 HA ARG2018 HA ARG2018 -6.511 -15.576 -5.569 41 HB2 ARG2018 1HB ARG2018 -7.917 -13.410 -7.022 42 HB3 ARG2018 2HB ARG2018 -7.413 -12.948 -5.388 43 HG2 ARG2018 1HG ARG2018 -5.407 -14.419 -7.044 44 HG3 ARG2018 2HG ARG2018 -5.786 -12.768 -7.566 45 HD2 ARG2018 1HD ARG2018 -5.135 -11.866 -5.424 46 HD3 ARG2018 2HD ARG2018 -5.040 -13.474 -4.692 47 HE ARG2018 HE ARG2018 -3.060 -12.205 -6.478 48 HH11 ARG2018 2HH2 ARG2018 -4.140 -15.203 -4.928 49 HH12 ARG2018 1HH2 ARG2018 -2.608 -15.991 -5.101 50 H VAL2019 H VAL2019 -7.175 -16.540 -3.630 51 HA VAL2019 HA VAL2019 -9.613 -16.533 -2.487 52 HB VAL2019 HB VAL2019 -7.890 -17.881 -1.621 53 HG11 VAL2019 1HG1 VAL2019 -5.762 -17.257 -1.287 54 HG12 VAL2019 2HG1 VAL2019 -6.214 -15.723 -2.070 55 HG13 VAL2019 3HG1 VAL2019 -6.237 -15.855 -0.295 56 HG21 VAL2019 3HG2 VAL2019 -8.891 -15.788 0.297 57 HG22 VAL2019 1HG2 VAL2019 -9.346 -17.503 0.148 58 HG23 VAL2019 2HG2 VAL2019 -7.775 -17.057 0.858 59 HA PRO2020 HA PRO2020 -10.389 -12.434 -1.327 60 HB2 PRO2020 1HB PRO2020 -12.540 -12.834 0.309 61 HB3 PRO2020 2HB PRO2020 -12.665 -12.764 -1.448 62 HG2 PRO2020 1HG PRO2020 -12.727 -15.090 0.367 63 HG3 PRO2020 2HG PRO2020 -13.326 -14.970 -1.326 64 HD2 PRO2020 1HD PRO2020 -10.944 -16.240 -0.366 65 HD3 PRO2020 2HD PRO2020 -11.409 -16.011 -2.057 66 H ILE2021 H ILE2021 -11.404 -14.013 1.625 67 HA ILE2021 HA ILE2021 -10.231 -12.193 3.287 68 HB ILE2021 HB ILE2021 -10.436 -13.898 5.022 69 HG12 ILE2021 1HG1 ILE2021 -11.652 -16.055 3.746 70 HG13 ILE2021 2HG1 ILE2021 -10.220 -15.712 2.760 71 HG21 ILE2021 1HG2 ILE2021 -12.683 -13.713 5.095 72 HG22 ILE2021 2HG2 ILE2021 -12.427 -12.665 3.679 73 HG23 ILE2021 3HG2 ILE2021 -12.903 -14.364 3.453 74 HD11 ILE2021 3HD1 ILE2021 -9.240 -15.477 5.350 75 HD12 ILE2021 1HD1 ILE2021 -10.426 -16.795 5.504 76 HD13 ILE2021 2HD1 ILE2021 -9.098 -16.928 4.327 77 H LEU2022 H LEU2022 -8.159 -11.527 2.638 78 HA LEU2022 HA LEU2022 -6.056 -13.165 3.627 79 HB2 LEU2022 1HB LEU2022 -6.788 -13.621 0.980 80 HB3 LEU2022 2HB LEU2022 -5.345 -12.594 0.885 81 HG LEU2022 HG LEU2022 -4.804 -14.979 0.771 82 HD11 LEU2022 1HD1 LEU2022 -3.850 -13.501 3.230 83 HD12 LEU2022 2HD1 LEU2022 -3.147 -15.040 2.677 84 HD13 LEU2022 3HD1 LEU2022 -3.076 -13.602 1.630 85 HD21 LEU2022 3HD2 LEU2022 -5.110 -16.448 2.712 86 HD22 LEU2022 1HD2 LEU2022 -6.014 -15.159 3.542 87 HD23 LEU2022 2HD2 LEU2022 -6.664 -15.883 2.053 88 H TRP2023 H TRP2023 -3.956 -11.814 2.125 89 HA TRP2023 HA TRP2023 -3.914 -9.401 3.608 90 HB2 TRP2023 1HB TRP2023 -2.114 -10.926 1.861 91 HB3 TRP2023 2HB TRP2023 -1.873 -9.177 1.812 92 HD1 TRP2023 HD TRP2023 -2.994 -10.546 5.177 93 HE1 TRP2023 1HE TRP2023 -1.045 -10.514 6.957 94 HE3 TRP2023 3HE TRP2023 0.712 -9.443 1.875 95 HZ2 TRP2023 2HZ TRP2023 1.766 -10.044 6.786 96 HZ3 TRP2023 3HZ TRP2023 3.030 -9.214 2.765 97 HH2 TRP2023 HH TRP2023 3.583 -9.497 5.127 98 H HIS2024 H HIS2024 -4.191 -10.245 0.084 99 HA HIS2024 HA HIS2024 -4.311 -7.751 -0.956 100 HB2 HIS2024 1HB HIS2024 -6.202 -9.853 -1.945 101 HB3 HIS2024 2HB HIS2024 -5.208 -8.717 -2.864 102 HD1 HIS2024 1HD HIS2024 -5.209 -12.124 -1.360 103 HD2 HIS2024 2HD HIS2024 -2.443 -9.498 -3.106 104 HE1 HIS2024 1HE HIS2024 -3.135 -13.515 -1.885 105 HE2 HIS2024 2HE HIS2024 -1.460 -11.851 -2.957 106 H GLU2025 H GLU2025 -6.591 -9.301 1.195 107 HA GLU2025 HA GLU2025 -8.827 -7.784 0.440 108 HB2 GLU2025 1HB GLU2025 -8.890 -9.948 1.698 109 HB3 GLU2025 2HB GLU2025 -8.249 -9.114 3.123 110 HG2 GLU2025 1HG GLU2025 -10.448 -7.565 2.193 111 HG3 GLU2025 2HG GLU2025 -10.984 -9.251 2.141 112 HE2 GLU2025 HE GLU2025 -9.792 -7.770 5.692 113 H MET2026 H MET2026 -6.113 -7.329 2.726 114 HA MET2026 HA MET2026 -7.315 -5.094 3.981 115 HB2 MET2026 1HB MET2026 -5.311 -5.038 5.255 116 HB3 MET2026 2HB MET2026 -5.424 -6.749 4.812 117 HG2 MET2026 1HG MET2026 -3.212 -6.306 4.230 118 HG3 MET2026 2HG MET2026 -4.004 -5.944 2.693 119 HE1 MET2026 3HE MET2026 -1.339 -5.176 3.267 120 HE2 MET2026 1HE MET2026 -1.032 -3.427 3.390 121 HE3 MET2026 2HE MET2026 -1.210 -4.406 4.865 122 H TRP2027 H TRP2027 -5.168 -5.643 1.191 123 HA TRP2027 HA TRP2027 -4.262 -2.980 0.962 124 HB2 TRP2027 1HB TRP2027 -4.434 -5.265 -0.998 125 HB3 TRP2027 2HB TRP2027 -3.704 -3.703 -1.380 126 HD1 TRP2027 HD TRP2027 -3.164 -6.650 1.118 127 HE1 TRP2027 1HE TRP2027 -0.618 -6.846 1.782 128 HE3 TRP2027 3HE TRP2027 -1.643 -2.501 -1.397 129 HZ2 TRP2027 2HZ TRP2027 1.694 -5.281 1.195 130 HZ3 TRP2027 3HZ TRP2027 0.775 -1.906 -1.301 131 HH2 TRP2027 HH TRP2027 2.423 -3.219 -0.061 132 H HIS2028 H HIS2028 -7.014 -4.886 -0.403 133 HA HIS2028 HA HIS2028 -7.943 -2.828 -2.060 134 HB2 HIS2028 1HB HIS2028 -9.361 -5.211 -0.854 135 HB3 HIS2028 2HB HIS2028 -10.033 -4.181 -2.121 136 HD1 HIS2028 1HD HIS2028 -9.334 -7.315 -2.354 137 HD2 HIS2028 2HD HIS2028 -7.052 -4.125 -3.839 138 HE1 HIS2028 1HE HIS2028 -7.914 -8.272 -4.246 139 HE2 HIS2028 2HE HIS2028 -6.524 -6.267 -5.126 140 H GLU2029 H GLU2029 -9.176 -4.026 1.150 141 HA GLU2029 HA GLU2029 -11.000 -1.971 1.437 142 HB2 GLU2029 1HB GLU2029 -11.195 -2.703 3.735 143 HB3 GLU2029 2HB GLU2029 -10.970 -4.136 2.721 144 HG2 GLU2029 1HG GLU2029 -9.389 -4.636 4.300 145 HG3 GLU2029 2HG GLU2029 -8.369 -3.582 3.308 146 HE2 GLU2029 HE GLU2029 -8.345 -2.549 6.848 147 H GLY2030 H GLY2030 -7.525 -2.232 2.242 148 HA2 GLY2030 2HA GLY2030 -7.231 -0.091 3.972 149 HA3 GLY2030 3HA GLY2030 -6.017 -0.682 2.855 150 H LEU2031 H LEU2031 -6.616 -0.061 0.383 151 HA LEU2031 HA LEU2031 -6.361 2.704 0.236 152 HB2 LEU2031 1HB LEU2031 -7.226 0.772 -1.911 153 HB3 LEU2031 2HB LEU2031 -6.559 2.396 -2.160 154 HG LEU2031 HG LEU2031 -5.206 -0.161 -1.414 155 HD11 LEU2031 1HD1 LEU2031 -4.961 1.977 -3.451 156 HD12 LEU2031 2HD1 LEU2031 -3.437 1.262 -2.874 157 HD13 LEU2031 3HD1 LEU2031 -4.698 0.222 -3.578 158 HD21 LEU2031 3HD2 LEU2031 -4.489 2.527 -0.305 159 HD22 LEU2031 1HD2 LEU2031 -4.389 0.914 0.440 160 HD23 LEU2031 2HD2 LEU2031 -3.190 1.407 -0.779 161 H GLU2032 H GLU2032 -9.198 0.571 0.298 162 HA GLU2032 HA GLU2032 -11.039 2.248 -0.829 163 HB2 GLU2032 1HB GLU2032 -12.310 0.469 -0.341 164 HB3 GLU2032 2HB GLU2032 -11.030 -0.180 0.697 165 HG2 GLU2032 1HG GLU2032 -11.896 1.153 2.595 166 HG3 GLU2032 2HG GLU2032 -13.158 1.838 1.558 167 HE2 GLU2032 HE GLU2032 -14.144 -1.261 3.464 168 H GLU2033 H GLU2033 -9.950 2.023 2.622 169 HA GLU2033 HA GLU2033 -11.632 4.197 3.350 170 HB2 GLU2033 1HB GLU2033 -10.564 2.115 4.722 171 HB3 GLU2033 2HB GLU2033 -9.396 3.376 5.154 172 HG2 GLU2033 1HG GLU2033 -10.943 4.571 6.364 173 HG3 GLU2033 2HG GLU2033 -12.286 4.142 5.295 174 HE2 GLU2033 HE GLU2033 -13.334 2.004 7.752 175 H ALA2034 H ALA2034 -8.107 3.649 2.786 176 HA ALA2034 HA ALA2034 -7.229 6.168 3.559 177 HB1 ALA2034 3HB ALA2034 -6.244 3.932 1.822 178 HB2 ALA2034 1HB ALA2034 -5.419 5.505 1.698 179 HB3 ALA2034 2HB ALA2034 -5.505 4.666 3.265 180 H SER2035 H SER2035 -8.370 4.920 0.357 181 HA SER2035 HA SER2035 -7.898 7.319 -0.972 182 HB2 SER2035 1HB SER2035 -9.175 6.360 -2.781 183 HB3 SER2035 2HB SER2035 -8.239 5.052 -2.035 184 HG SER2035 HG SER2035 -11.027 5.479 -2.139 185 H ARG2036 H ARG2036 -10.719 5.966 0.804 186 HA ARG2036 HA ARG2036 -12.599 7.765 -0.017 187 HB2 ARG2036 1HB ARG2036 -12.198 5.934 2.277 188 HB3 ARG2036 2HB ARG2036 -13.281 7.286 2.642 189 HG2 ARG2036 1HG ARG2036 -14.600 6.717 0.586 190 HG3 ARG2036 2HG ARG2036 -13.554 5.310 0.328 191 HD2 ARG2036 1HD ARG2036 -14.293 4.942 2.946 192 HD3 ARG2036 2HD ARG2036 -15.742 5.734 2.310 193 HE ARG2036 HE ARG2036 -14.822 3.045 1.716 194 HH11 ARG2036 2HH2 ARG2036 -16.581 5.791 0.331 195 HH12 ARG2036 1HH2 ARG2036 -17.479 4.813 -0.780 196 H LEU2037 H LEU2037 -10.130 7.973 2.601 197 HA LEU2037 HA LEU2037 -11.102 10.440 3.617 198 HB2 LEU2037 1HB LEU2037 -8.425 9.096 3.943 199 HB3 LEU2037 2HB LEU2037 -9.045 10.436 4.921 200 HG LEU2037 HG LEU2037 -10.857 8.151 4.900 201 HD11 LEU2037 1HD1 LEU2037 -8.474 7.451 6.491 202 HD12 LEU2037 2HD1 LEU2037 -9.586 6.420 5.561 203 HD13 LEU2037 3HD1 LEU2037 -8.280 7.297 4.729 204 HD21 LEU2037 3HD2 LEU2037 -10.545 8.443 7.402 205 HD22 LEU2037 1HD2 LEU2037 -9.467 9.806 7.012 206 HD23 LEU2037 2HD2 LEU2037 -11.176 9.849 6.511 207 H TYR2038 H TYR2038 -8.774 9.422 1.110 208 HA TYR2038 HA TYR2038 -7.640 12.015 0.799 209 HB2 TYR2038 1HB TYR2038 -6.564 9.825 0.187 210 HB3 TYR2038 2HB TYR2038 -7.869 9.489 -0.954 211 HD1 TYR2038 2HD TYR2038 -5.072 11.865 -0.257 212 HD2 TYR2038 1HD TYR2038 -7.689 10.186 -3.194 213 HE1 TYR2038 2HE TYR2038 -3.737 12.996 -2.102 214 HE2 TYR2038 1HE TYR2038 -6.345 11.322 -5.032 215 HH TYR2038 HH TYR2038 -3.315 12.872 -4.349 216 H PHE2039 H PHE2039 -9.930 10.029 -1.217 217 HA PHE2039 HA PHE2039 -10.468 12.232 -2.927 218 HB2 PHE2039 1HB PHE2039 -11.615 9.457 -2.356 219 HB3 PHE2039 2HB PHE2039 -12.396 10.508 -3.543 220 HD1 PHE2039 2HD PHE2039 -11.139 11.163 -5.590 221 HD2 PHE2039 1HD PHE2039 -9.624 8.287 -2.864 222 HE1 PHE2039 2HE PHE2039 -9.534 10.349 -7.341 223 HE2 PHE2039 1HE PHE2039 -8.021 7.472 -4.613 224 HZ PHE2039 HZ PHE2039 -7.994 8.513 -6.831 225 H GLY2040 H GLY2040 -12.238 10.573 -0.239 226 HA2 GLY2040 2HA GLY2040 -14.596 12.090 -0.420 227 HA3 GLY2040 3HA GLY2040 -14.025 11.196 0.973 228 H GLU2041 H GLU2041 -11.846 12.351 1.958 229 HA GLU2041 HA GLU2041 -12.604 15.157 2.223 230 HB2 GLU2041 1HB GLU2041 -12.048 13.057 4.213 231 HB3 GLU2041 2HB GLU2041 -11.155 14.559 4.518 232 HG2 GLU2041 1HG GLU2041 -14.167 14.237 4.169 233 HG3 GLU2041 2HG GLU2041 -13.318 14.651 5.667 234 HE2 GLU2041 HE GLU2041 -14.181 17.439 2.991 235 H ARG2042 H ARG2042 -10.369 16.100 3.638 236 HA ARG2042 HA ARG2042 -8.271 15.582 1.685 237 HB2 ARG2042 1HB ARG2042 -9.540 18.000 2.337 238 HB3 ARG2042 2HB ARG2042 -7.997 18.094 3.206 239 HG2 ARG2042 1HG ARG2042 -7.814 19.043 0.933 240 HG3 ARG2042 2HG ARG2042 -6.784 17.610 1.095 241 HD2 ARG2042 1HD ARG2042 -7.840 16.683 -0.670 242 HD3 ARG2042 2HD ARG2042 -9.368 16.713 0.223 243 HE ARG2042 HE ARG2042 -8.458 18.640 -1.815 244 HH11 ARG2042 2HH2 ARG2042 -10.771 17.992 0.792 245 HH12 ARG2042 1HH2 ARG2042 -11.915 19.166 0.235 246 H ASN2043 H ASN2043 -8.924 14.237 4.354 247 HA ASN2043 HA ASN2043 -6.700 15.136 5.961 248 HB2 ASN2043 1HB ASN2043 -9.066 13.289 6.378 249 HB3 ASN2043 2HB ASN2043 -7.676 13.159 7.464 250 HD21 ASN2043 1HD2 ASN2043 -7.221 14.762 8.905 251 HD22 ASN2043 2HD2 ASN2043 -8.278 16.087 9.257 252 H VAL2044 H VAL2044 -5.054 14.322 4.370 253 HA VAL2044 HA VAL2044 -4.970 11.710 3.444 254 HB VAL2044 HB VAL2044 -2.873 13.809 3.967 255 HG11 VAL2044 1HG1 VAL2044 -1.957 11.429 4.120 256 HG12 VAL2044 2HG1 VAL2044 -2.377 11.270 2.396 257 HG13 VAL2044 3HG1 VAL2044 -1.202 12.502 2.917 258 HG21 VAL2044 3HG2 VAL2044 -4.800 13.467 1.956 259 HG22 VAL2044 1HG2 VAL2044 -3.413 14.582 1.942 260 HG23 VAL2044 2HG2 VAL2044 -3.260 12.964 1.218 261 H LYS2045 H LYS2045 -4.444 13.035 6.634 262 HA LYS2045 HA LYS2045 -2.628 11.249 7.682 263 HB2 LYS2045 1HB LYS2045 -3.657 11.791 9.850 264 HB3 LYS2045 2HB LYS2045 -3.346 13.231 8.864 265 HG2 LYS2045 1HG LYS2045 -5.506 13.772 9.278 266 HG3 LYS2045 2HG LYS2045 -5.928 12.509 8.107 267 HD2 LYS2045 1HD LYS2045 -6.522 10.997 9.754 268 HD3 LYS2045 2HD LYS2045 -5.389 11.665 10.944 269 HE2 LYS2045 1HE LYS2045 -6.966 13.773 10.845 270 HE3 LYS2045 2HE LYS2045 -8.148 12.647 10.161 271 HZ1 LYS2045 2HZ LYS2045 -8.540 12.370 12.394 272 HZ3 LYS2045 1HZ LYS2045 -7.019 12.714 12.859 273 H GLY2046 H GLY2046 -6.153 10.904 7.079 274 HA2 GLY2046 2HA GLY2046 -6.656 8.569 8.463 275 HA3 GLY2046 3HA GLY2046 -7.457 9.075 6.989 276 H MET2047 H MET2047 -5.663 8.909 4.974 277 HA MET2047 HA MET2047 -5.509 6.221 4.479 278 HB2 MET2047 1HB MET2047 -5.439 7.765 2.645 279 HB3 MET2047 2HB MET2047 -4.086 8.673 3.342 280 HG2 MET2047 1HG MET2047 -3.699 5.759 2.647 281 HG3 MET2047 2HG MET2047 -3.696 6.947 1.341 282 HE1 MET2047 3HE MET2047 -0.944 9.251 1.923 283 HE2 MET2047 1HE MET2047 -2.717 9.196 1.778 284 HE3 MET2047 2HE MET2047 -1.964 9.563 3.348 285 H PHE2048 H PHE2048 -3.011 8.489 5.759 286 HA PHE2048 HA PHE2048 -0.881 6.689 5.663 287 HB2 PHE2048 1HB PHE2048 -1.707 9.181 7.190 288 HB3 PHE2048 2HB PHE2048 -0.250 8.338 7.725 289 HD1 PHE2048 1HD PHE2048 1.031 7.534 5.264 290 HD2 PHE2048 2HD PHE2048 -1.064 11.120 6.134 291 HE1 PHE2048 1HE PHE2048 2.356 8.734 3.503 292 HE2 PHE2048 2HE PHE2048 0.260 12.321 4.372 293 HZ PHE2048 HZ PHE2048 1.954 11.113 3.078 294 H GLU2049 H GLU2049 -3.406 7.336 8.148 295 HA GLU2049 HA GLU2049 -2.153 5.646 10.040 296 HB2 GLU2049 1HB GLU2049 -4.996 6.725 9.943 297 HB3 GLU2049 2HB GLU2049 -4.219 6.007 11.362 298 HG2 GLU2049 1HG GLU2049 -2.851 7.850 11.707 299 HG3 GLU2049 2HG GLU2049 -2.827 8.302 9.996 300 HE2 GLU2049 HE GLU2049 -4.988 10.521 12.048 301 H VAL2050 H VAL2050 -3.980 5.113 7.191 302 HA VAL2050 HA VAL2050 -5.286 2.721 8.126 303 HB VAL2050 HB VAL2050 -5.052 4.165 5.495 304 HG11 VAL2050 1HG1 VAL2050 -6.433 2.500 4.431 305 HG12 VAL2050 2HG1 VAL2050 -4.996 1.693 5.103 306 HG13 VAL2050 3HG1 VAL2050 -6.561 1.570 5.942 307 HG21 VAL2050 3HG2 VAL2050 -7.062 5.041 5.983 308 HG22 VAL2050 1HG2 VAL2050 -7.701 3.486 6.569 309 HG23 VAL2050 2HG2 VAL2050 -6.735 4.516 7.651 310 H LEU2051 H LEU2051 -2.507 3.633 5.996 311 HA LEU2051 HA LEU2051 -1.834 0.891 5.549 312 HB2 LEU2051 1HB LEU2051 -0.377 3.462 4.960 313 HB3 LEU2051 2HB LEU2051 0.134 1.854 4.413 314 HG LEU2051 HG LEU2051 -1.289 1.875 2.687 315 HD11 LEU2051 1HD1 LEU2051 -3.437 3.292 4.282 316 HD12 LEU2051 2HD1 LEU2051 -3.620 2.358 2.778 317 HD13 LEU2051 3HD1 LEU2051 -3.191 1.528 4.294 318 HD21 LEU2051 3HD2 LEU2051 -0.337 4.372 3.060 319 HD22 LEU2051 1HD2 LEU2051 -1.320 3.883 1.657 320 HD23 LEU2051 2HD2 LEU2051 -2.085 4.707 3.038 321 H GLU2052 H GLU2052 -0.630 3.607 7.599 322 HA GLU2052 HA GLU2052 1.615 2.717 8.585 323 HB2 GLU2052 1HB GLU2052 -0.583 4.301 9.597 324 HB3 GLU2052 2HB GLU2052 0.147 3.393 10.930 325 HG2 GLU2052 1HG GLU2052 1.192 5.645 10.537 326 HG3 GLU2052 2HG GLU2052 2.349 4.312 10.416 327 HE2 GLU2052 HE GLU2052 1.556 6.601 7.275 328 HA PRO2053 HA PRO2053 -0.465 -0.476 11.399 329 HB2 PRO2053 1HB PRO2053 -3.150 -0.944 11.199 330 HB3 PRO2053 2HB PRO2053 -2.448 0.146 12.393 331 HG2 PRO2053 1HG PRO2053 -3.866 0.746 9.876 332 HG3 PRO2053 2HG PRO2053 -3.591 1.820 11.294 333 HD2 PRO2053 1HD PRO2053 -2.273 1.854 8.751 334 HD3 PRO2053 2HD PRO2053 -1.858 2.828 10.169 335 H LEU2054 H LEU2054 -2.394 -0.473 8.438 336 HA LEU2054 HA LEU2054 -2.447 -3.173 8.043 337 HB2 LEU2054 1HB LEU2054 -2.583 -0.764 6.330 338 HB3 LEU2054 2HB LEU2054 -2.311 -2.312 5.513 339 HG LEU2054 HG LEU2054 -4.419 -3.046 5.920 340 HD11 LEU2054 1HD1 LEU2054 -4.213 -1.588 8.542 341 HD12 LEU2054 2HD1 LEU2054 -5.780 -2.178 7.942 342 HD13 LEU2054 3HD1 LEU2054 -4.448 -3.323 8.225 343 HD21 LEU2054 3HD2 LEU2054 -4.361 -0.141 5.604 344 HD22 LEU2054 1HD2 LEU2054 -5.336 -1.374 4.766 345 HD23 LEU2054 2HD2 LEU2054 -5.871 -0.733 6.338 346 H HIS2055 H HIS2055 0.039 -0.853 6.754 347 HA HIS2055 HA HIS2055 1.656 -2.844 5.689 348 HB2 HIS2055 1HB HIS2055 2.016 0.022 6.467 349 HB3 HIS2055 2HB HIS2055 3.444 -0.929 6.047 350 HD1 HIS2055 1HD HIS2055 3.889 0.343 3.846 351 HD2 HIS2055 2HD HIS2055 0.080 -1.399 4.046 352 HE1 HIS2055 1HE HIS2055 2.910 0.494 1.494 353 HE2 HIS2055 2HE HIS2055 0.564 -0.594 1.672 354 H ALA2056 H ALA2056 1.844 -1.087 8.863 355 HA ALA2056 HA ALA2056 4.084 -2.288 9.862 356 HB1 ALA2056 3HB ALA2056 2.868 -1.913 12.115 357 HB2 ALA2056 1HB ALA2056 3.116 -0.497 11.066 358 HB3 ALA2056 2HB ALA2056 1.521 -1.287 11.133 359 H MET2057 H MET2057 0.652 -3.454 10.062 360 HA MET2057 HA MET2057 1.109 -5.678 11.546 361 HB2 MET2057 1HB MET2057 -1.129 -5.814 11.135 362 HB3 MET2057 2HB MET2057 -0.969 -4.572 9.883 363 HG2 MET2057 1HG MET2057 -0.455 -6.313 8.207 364 HG3 MET2057 2HG MET2057 -0.508 -7.565 9.450 365 HE1 MET2057 3HE MET2057 -3.566 -7.564 6.868 366 HE2 MET2057 1HE MET2057 -2.926 -5.913 6.696 367 HE3 MET2057 2HE MET2057 -1.809 -7.297 6.776 368 H MET2058 H MET2058 1.610 -5.168 8.025 369 HA MET2058 HA MET2058 2.016 -7.863 7.425 370 HB2 MET2058 1HB MET2058 3.117 -5.341 6.080 371 HB3 MET2058 2HB MET2058 2.995 -6.932 5.309 372 HG2 MET2058 1HG MET2058 0.419 -6.184 6.421 373 HG3 MET2058 2HG MET2058 1.018 -4.868 5.408 374 HE1 MET2058 3HE MET2058 -1.593 -7.300 3.564 375 HE2 MET2058 1HE MET2058 -1.140 -8.114 5.080 376 HE3 MET2058 2HE MET2058 -1.468 -6.365 5.074 377 H GLU2059 H GLU2059 4.169 -5.231 8.554 378 HA GLU2059 HA GLU2059 6.540 -6.640 8.035 379 HB2 GLU2059 1HB GLU2059 6.200 -4.491 10.145 380 HB3 GLU2059 2HB GLU2059 7.639 -4.851 9.176 381 HG2 GLU2059 1HG GLU2059 5.042 -3.543 8.312 382 HG3 GLU2059 2HG GLU2059 6.680 -2.885 8.199 383 HE2 GLU2059 HE GLU2059 7.325 -4.417 5.194 384 H ARG2060 H ARG2060 4.922 -5.816 11.197 385 HA ARG2060 HA ARG2060 6.505 -7.590 12.627 386 HB2 ARG2060 1HB ARG2060 4.792 -7.255 14.441 387 HB3 ARG2060 2HB ARG2060 5.338 -5.728 13.725 388 HG2 ARG2060 1HG ARG2060 3.275 -6.067 12.123 389 HG3 ARG2060 2HG ARG2060 2.694 -7.167 13.388 390 HD2 ARG2060 1HD ARG2060 3.683 -4.662 14.528 391 HD3 ARG2060 2HD ARG2060 2.427 -4.349 13.320 392 HE ARG2060 HE ARG2060 1.799 -6.490 15.242 393 HH11 ARG2060 2HH2 ARG2060 1.527 -3.032 14.516 394 HH12 ARG2060 1HH2 ARG2060 0.178 -2.790 15.574 395 H GLY2061 H GLY2061 3.375 -7.892 10.922 396 HA2 GLY2061 2HA GLY2061 3.326 -10.762 11.642 397 HA3 GLY2061 3HA GLY2061 1.883 -9.777 11.511 398 HA PRO2062 HA PRO2062 3.666 -10.408 7.144 399 HB2 PRO2062 1HB PRO2062 5.597 -12.310 6.798 400 HB3 PRO2062 2HB PRO2062 5.955 -10.591 6.960 401 HG2 PRO2062 1HG PRO2062 6.239 -12.780 8.918 402 HG3 PRO2062 2HG PRO2062 7.035 -11.167 8.914 403 HD2 PRO2062 1HD PRO2062 4.859 -12.074 10.538 404 HD3 PRO2062 2HD PRO2062 5.501 -10.428 10.461 405 H GLN2063 H GLN2063 4.676 -13.668 7.616 406 HA GLN2063 HA GLN2063 2.240 -14.855 7.897 407 HB2 GLN2063 1HB GLN2063 2.641 -13.789 5.220 408 HB3 GLN2063 2HB GLN2063 2.463 -15.551 5.163 409 HG2 GLN2063 1HG GLN2063 0.572 -13.912 6.852 410 HG3 GLN2063 2HG GLN2063 0.326 -13.968 5.100 411 HE21 GLN2063 1HE2 GLN2063 0.286 -16.136 4.107 412 HE22 GLN2063 2HE2 GLN2063 -0.486 -17.434 4.954 413 H THR2064 H THR2064 4.626 -15.512 5.248 414 HA THR2064 HA THR2064 6.226 -17.236 6.824 415 HB THR2064 HB THR2064 4.179 -18.656 6.716 416 HG1 THR2064 1HG THR2064 6.034 -19.925 6.559 417 HG21 THR2064 3HG2 THR2064 4.354 -17.893 3.825 418 HG22 THR2064 1HG2 THR2064 4.042 -19.616 4.145 419 HG23 THR2064 2HG2 THR2064 2.933 -18.377 4.782 420 H LEU2065 H LEU2065 7.323 -18.892 4.942 421 HA LEU2065 HA LEU2065 8.914 -17.099 3.512 422 HB2 LEU2065 1HB LEU2065 8.993 -19.739 4.247 423 HB3 LEU2065 2HB LEU2065 8.849 -19.831 2.483 424 HG LEU2065 HG LEU2065 11.141 -19.867 2.869 425 HD11 LEU2065 1HD1 LEU2065 11.878 -18.138 1.605 426 HD12 LEU2065 2HD1 LEU2065 10.132 -17.863 1.404 427 HD13 LEU2065 3HD1 LEU2065 11.051 -16.910 2.593 428 HD21 LEU2065 3HD2 LEU2065 11.675 -17.558 4.494 429 HD22 LEU2065 1HD2 LEU2065 10.497 -18.610 5.313 430 HD23 LEU2065 2HD2 LEU2065 12.066 -19.269 4.792 431 H LYS2066 H LYS2066 5.824 -18.641 2.806 432 HA LYS2066 HA LYS2066 5.982 -18.372 -0.005 433 HB2 LYS2066 1HB LYS2066 4.510 -19.954 1.195 434 HB3 LYS2066 2HB LYS2066 3.535 -18.592 1.773 435 HG2 LYS2066 1HG LYS2066 2.847 -18.025 -0.444 436 HG3 LYS2066 2HG LYS2066 4.087 -19.051 -1.186 437 HD2 LYS2066 1HD LYS2066 2.761 -20.882 -1.069 438 HD3 LYS2066 2HD LYS2066 2.325 -20.564 0.620 439 HE2 LYS2066 1HE LYS2066 0.870 -18.620 -0.510 440 HE3 LYS2066 2HE LYS2066 0.961 -19.684 -1.921 441 HZ1 LYS2066 2HZ LYS2066 -0.448 -20.081 0.582 442 HZ3 LYS2066 1HZ LYS2066 0.310 -21.410 0.025 443 H GLU2067 H GLU2067 4.505 -16.382 2.637 444 HA GLU2067 HA GLU2067 3.696 -14.402 0.785 445 HB2 GLU2067 1HB GLU2067 3.599 -14.816 3.736 446 HB3 GLU2067 2HB GLU2067 3.531 -13.133 3.187 447 HG2 GLU2067 1HG GLU2067 1.783 -15.208 1.862 448 HG3 GLU2067 2HG GLU2067 1.305 -14.569 3.442 449 HE2 GLU2067 HE GLU2067 1.606 -11.918 0.427 450 H THR2068 H THR2068 6.651 -15.203 2.435 451 HA THR2068 HA THR2068 7.793 -12.717 2.854 452 HB THR2068 HB THR2068 8.759 -15.529 2.281 453 HG1 THR2068 1HG THR2068 9.723 -14.820 4.468 454 HG21 THR2068 3HG2 THR2068 11.087 -14.822 2.597 455 HG22 THR2068 1HG2 THR2068 10.437 -13.944 1.191 456 HG23 THR2068 2HG2 THR2068 10.589 -13.121 2.764 457 H SER2069 H SER2069 7.081 -14.396 -0.160 458 HA SER2069 HA SER2069 8.926 -12.887 -1.674 459 HB2 SER2069 1HB SER2069 7.548 -15.174 -2.117 460 HB3 SER2069 2HB SER2069 6.504 -14.043 -2.999 461 HG SER2069 HG SER2069 7.943 -14.072 -4.571 462 H PHE2070 H PHE2070 5.433 -12.653 -0.835 463 HA PHE2070 HA PHE2070 4.807 -10.583 -2.597 464 HB2 PHE2070 1HB PHE2070 3.180 -12.029 -1.377 465 HB3 PHE2070 2HB PHE2070 3.766 -11.419 0.173 466 HD1 PHE2070 2HD PHE2070 3.348 -8.993 0.735 467 HD2 PHE2070 1HD PHE2070 1.490 -10.917 -2.559 468 HE1 PHE2070 2HE PHE2070 1.603 -7.189 0.665 469 HE2 PHE2070 1HE PHE2070 -0.255 -9.115 -2.630 470 HZ PHE2070 HZ PHE2070 -0.177 -7.272 -1.017 471 H ASN2071 H ASN2071 5.742 -10.537 0.913 472 HA ASN2071 HA ASN2071 5.585 -7.788 1.149 473 HB2 ASN2071 1HB ASN2071 5.832 -9.664 2.960 474 HB3 ASN2071 2HB ASN2071 7.575 -9.503 2.698 475 HD21 ASN2071 1HD2 ASN2071 7.506 -8.918 4.983 476 HD22 ASN2071 2HD2 ASN2071 7.218 -7.272 5.440 477 H GLN2072 H GLN2072 8.046 -10.015 -0.125 478 HA GLN2072 HA GLN2072 10.149 -8.111 0.001 479 HB2 GLN2072 1HB GLN2072 9.777 -10.899 -1.024 480 HB3 GLN2072 2HB GLN2072 11.116 -9.962 -1.710 481 HG2 GLN2072 1HG GLN2072 10.772 -9.923 1.269 482 HG3 GLN2072 2HG GLN2072 11.366 -11.427 0.550 483 HE21 GLN2072 1HE2 GLN2072 13.282 -11.394 -0.691 484 HE22 GLN2072 2HE2 GLN2072 14.500 -10.185 -0.459 485 H ALA2073 H ALA2073 8.131 -9.581 -2.640 486 HA ALA2073 HA ALA2073 9.151 -8.363 -4.809 487 HB1 ALA2073 3HB ALA2073 7.121 -8.862 -5.843 488 HB2 ALA2073 1HB ALA2073 7.077 -9.938 -4.426 489 HB3 ALA2073 2HB ALA2073 6.163 -8.410 -4.413 490 H TYR2074 H TYR2074 6.761 -6.928 -2.490 491 HA TYR2074 HA TYR2074 7.115 -4.353 -3.809 492 HB2 TYR2074 1HB TYR2074 5.406 -5.290 -1.430 493 HB3 TYR2074 2HB TYR2074 5.157 -3.798 -2.345 494 HD1 TYR2074 1HD TYR2074 5.282 -4.674 -5.126 495 HD2 TYR2074 2HD TYR2074 3.537 -6.625 -1.742 496 HE1 TYR2074 1HE TYR2074 3.672 -5.907 -6.660 497 HE2 TYR2074 2HE TYR2074 1.932 -7.850 -3.287 498 HH TYR2074 HH TYR2074 1.937 -7.203 -6.775 499 H GLY2075 H GLY2075 8.364 -6.191 -1.157 500 HA2 GLY2075 2HA GLY2075 8.730 -4.582 0.944 501 HA3 GLY2075 3HA GLY2075 10.000 -5.605 0.303 502 H ARG2076 H ARG2076 10.437 -4.286 -2.231 503 HA ARG2076 HA ARG2076 12.015 -2.143 -1.250 504 HB2 ARG2076 1HB ARG2076 12.577 -3.867 -3.124 505 HB3 ARG2076 2HB ARG2076 11.604 -2.837 -4.188 506 HG2 ARG2076 1HG ARG2076 13.765 -1.604 -2.481 507 HG3 ARG2076 2HG ARG2076 14.223 -2.454 -3.968 508 HD2 ARG2076 1HD ARG2076 12.099 -0.872 -4.803 509 HD3 ARG2076 2HD ARG2076 12.890 0.170 -3.610 510 HE ARG2076 HE ARG2076 14.677 0.418 -5.095 511 HH11 ARG2076 2HH2 ARG2076 12.827 -2.454 -6.037 512 HH12 ARG2076 1HH2 ARG2076 13.738 -2.718 -7.485 513 H ASP2077 H ASP2077 9.313 -2.540 -3.654 514 HA ASP2077 HA ASP2077 9.079 0.018 -4.460 515 HB2 ASP2077 1HB ASP2077 6.955 -2.074 -3.870 516 HB3 ASP2077 2HB ASP2077 6.560 -0.538 -4.657 517 HD2 ASP2077 HD ASP2077 7.392 -1.735 -7.717 518 H LEU2078 H LEU2078 7.299 -1.596 -1.712 519 HA LEU2078 HA LEU2078 5.958 0.614 -0.782 520 HB2 LEU2078 1HB LEU2078 7.010 -1.847 0.583 521 HB3 LEU2078 2HB LEU2078 6.029 -0.639 1.428 522 HG LEU2078 HG LEU2078 5.255 -2.519 -0.794 523 HD11 LEU2078 1HD1 LEU2078 4.175 -3.615 0.806 524 HD12 LEU2078 2HD1 LEU2078 4.937 -2.534 1.995 525 HD13 LEU2078 3HD1 LEU2078 3.334 -2.136 1.331 526 HD21 LEU2078 3HD2 LEU2078 4.249 -0.704 -1.740 527 HD22 LEU2078 1HD2 LEU2078 2.984 -1.167 -0.577 528 HD23 LEU2078 2HD2 LEU2078 4.098 0.167 -0.196 529 H MET2079 H MET2079 9.332 -0.467 -0.181 530 HA MET2079 HA MET2079 9.908 1.250 1.873 531 HB2 MET2079 1HB MET2079 11.251 -0.662 0.511 532 HB3 MET2079 2HB MET2079 11.971 0.749 -0.284 533 HG2 MET2079 1HG MET2079 12.815 1.595 1.809 534 HG3 MET2079 2HG MET2079 11.840 0.460 2.749 535 HE1 MET2079 3HE MET2079 11.796 -1.869 2.286 536 HE2 MET2079 1HE MET2079 12.841 -2.706 1.111 537 HE3 MET2079 2HE MET2079 13.290 -2.670 2.833 538 H GLU2080 H GLU2080 10.123 1.768 -1.704 539 HA GLU2080 HA GLU2080 11.268 4.286 -1.527 540 HB2 GLU2080 1HB GLU2080 11.283 2.982 -3.585 541 HB3 GLU2080 2HB GLU2080 9.516 3.049 -3.693 542 HG2 GLU2080 1HG GLU2080 9.511 5.292 -4.326 543 HG3 GLU2080 2HG GLU2080 11.055 5.638 -3.531 544 HE2 GLU2080 HE GLU2080 11.095 5.038 -7.316 545 H ALA2081 H ALA2081 7.806 3.303 -2.063 546 HA ALA2081 HA ALA2081 6.720 5.827 -2.101 547 HB1 ALA2081 3HB ALA2081 5.777 3.062 -1.438 548 HB2 ALA2081 1HB ALA2081 4.712 4.425 -1.015 549 HB3 ALA2081 2HB ALA2081 5.222 4.183 -2.703 550 H GLN2082 H GLN2082 7.563 3.704 0.689 551 HA GLN2082 HA GLN2082 6.379 5.232 2.638 552 HB2 GLN2082 1HB GLN2082 7.315 2.940 2.926 553 HB3 GLN2082 2HB GLN2082 8.953 3.612 2.863 554 HG2 GLN2082 1HG GLN2082 7.551 5.165 4.774 555 HG3 GLN2082 2HG GLN2082 7.084 3.489 5.102 556 HE21 GLN2082 1HE2 GLN2082 8.309 2.507 6.499 557 HE22 GLN2082 2HE2 GLN2082 10.001 2.752 6.781 558 H GLU2083 H GLU2083 9.624 5.487 1.094 559 HA GLU2083 HA GLU2083 10.636 7.396 2.816 560 HB2 GLU2083 1HB GLU2083 12.435 7.024 1.535 561 HB3 GLU2083 2HB GLU2083 11.440 6.069 0.423 562 HG2 GLU2083 1HG GLU2083 10.877 8.090 -0.848 563 HG3 GLU2083 2HG GLU2083 11.752 9.106 0.307 564 HE2 GLU2083 HE GLU2083 14.857 8.270 -0.976 565 H TRP2084 H TRP2084 8.626 7.658 -0.156 566 HA TRP2084 HA TRP2084 8.814 10.471 -0.347 567 HB2 TRP2084 1HB TRP2084 6.796 8.506 -1.432 568 HB3 TRP2084 2HB TRP2084 6.853 10.219 -1.854 569 HD1 TRP2084 HD TRP2084 8.425 6.904 -2.764 570 HE1 TRP2084 1HE TRP2084 10.233 7.139 -4.671 571 HE3 TRP2084 3HE TRP2084 8.664 11.981 -2.630 572 HZ2 TRP2084 2HZ TRP2084 11.532 9.374 -5.883 573 HZ3 TRP2084 3HZ TRP2084 10.229 13.111 -4.209 574 HH2 TRP2084 HH TRP2084 11.631 11.893 -5.796 575 H CYS2085 H CYS2085 6.786 8.140 1.446 576 HA CYS2085 HA CYS2085 4.759 9.930 2.146 577 HB2 CYS2085 1HB CYS2085 5.747 7.350 3.348 578 HB3 CYS2085 2HB CYS2085 4.402 8.255 4.062 579 HG CYS2085 HG CYS2085 4.044 8.268 0.955 580 H ARG2086 H ARG2086 7.698 8.738 3.939 581 HA ARG2086 HA ARG2086 7.378 10.284 6.149 582 HB2 ARG2086 1HB ARG2086 9.669 8.951 4.767 583 HB3 ARG2086 2HB ARG2086 10.112 10.181 5.965 584 HG2 ARG2086 1HG ARG2086 9.982 8.310 7.324 585 HG3 ARG2086 2HG ARG2086 8.307 8.877 7.451 586 HD2 ARG2086 1HD ARG2086 7.769 7.329 5.488 587 HD3 ARG2086 2HD ARG2086 9.393 6.651 5.668 588 HE ARG2086 HE ARG2086 7.095 6.172 7.394 589 HH11 ARG2086 2HH2 ARG2086 10.637 6.276 7.333 590 HH12 ARG2086 1HH2 ARG2086 10.815 5.208 8.684 591 H LYS2087 H LYS2087 8.775 11.079 2.944 592 HA LYS2087 HA LYS2087 9.974 13.501 3.683 593 HB2 LYS2087 1HB LYS2087 10.693 12.526 1.689 594 HB3 LYS2087 2HB LYS2087 9.047 12.310 1.071 595 HG2 LYS2087 1HG LYS2087 9.410 15.097 1.617 596 HG3 LYS2087 2HG LYS2087 10.841 14.552 0.721 597 HD2 LYS2087 1HD LYS2087 8.361 13.444 -0.380 598 HD3 LYS2087 2HD LYS2087 8.324 15.216 -0.355 599 HE2 LYS2087 1HE LYS2087 9.271 14.371 -2.472 600 HE3 LYS2087 2HE LYS2087 10.495 15.271 -1.566 601 HZ1 LYS2087 2HZ LYS2087 11.235 13.062 -2.483 602 HZ3 LYS2087 1HZ LYS2087 10.243 12.319 -1.427 603 H TYR2088 H TYR2088 6.667 12.630 2.552 604 HA TYR2088 HA TYR2088 5.787 15.318 2.390 605 HB2 TYR2088 1HB TYR2088 4.766 13.362 1.217 606 HB3 TYR2088 2HB TYR2088 4.443 12.570 2.763 607 HD1 TYR2088 1HD TYR2088 3.413 15.271 0.470 608 HD2 TYR2088 2HD TYR2088 2.541 13.216 4.120 609 HE1 TYR2088 1HE TYR2088 1.110 16.346 0.532 610 HE2 TYR2088 2HE TYR2088 0.241 14.298 4.169 611 HH TYR2088 HH TYR2088 -1.208 15.493 3.076 612 H MET2089 H MET2089 5.439 12.699 4.875 613 HA MET2089 HA MET2089 3.824 14.128 6.577 614 HB2 MET2089 1HB MET2089 5.884 11.917 6.932 615 HB3 MET2089 2HB MET2089 4.998 12.536 8.336 616 HG2 MET2089 1HG MET2089 3.041 12.080 6.333 617 HG3 MET2089 2HG MET2089 4.117 10.682 6.255 618 HE1 MET2089 3HE MET2089 0.865 11.665 8.970 619 HE2 MET2089 1HE MET2089 1.268 12.034 7.275 620 HE3 MET2089 2HE MET2089 0.776 10.385 7.735 621 H LYS2090 H LYS2090 7.377 14.147 6.144 622 HA LYS2090 HA LYS2090 7.876 15.634 8.517 623 HB2 LYS2090 1HB LYS2090 9.403 14.073 7.032 624 HB3 LYS2090 2HB LYS2090 9.790 15.598 6.216 625 HG2 LYS2090 1HG LYS2090 9.905 15.252 9.235 626 HG3 LYS2090 2HG LYS2090 11.303 14.941 8.191 627 HD2 LYS2090 1HD LYS2090 11.703 17.155 7.900 628 HD3 LYS2090 2HD LYS2090 9.991 17.536 7.650 629 HE2 LYS2090 1HE LYS2090 10.138 18.554 9.678 630 HE3 LYS2090 2HE LYS2090 10.049 16.916 10.349 631 HZ1 LYS2090 2HZ LYS2090 11.973 18.040 11.237 632 HZ3 LYS2090 1HZ LYS2090 12.527 18.444 9.759 633 H SER2091 H SER2091 7.974 16.489 4.982 634 HA SER2091 HA SER2091 6.522 18.781 5.258 635 HB2 SER2091 1HB SER2091 8.925 19.199 6.521 636 HB3 SER2091 2HB SER2091 9.292 19.797 4.893 637 HG SER2091 HG SER2091 7.673 21.339 5.073 638 H GLY2092 H GLY2092 6.304 16.967 3.368 639 HA2 GLY2092 2HA GLY2092 8.012 17.672 1.088 640 HA3 GLY2092 3HA GLY2092 6.944 16.288 1.226 641 H ASN2093 H ASN2093 5.892 16.758 -0.792 642 HA ASN2093 HA ASN2093 3.976 18.917 -0.501 643 HB2 ASN2093 1HB ASN2093 6.157 18.914 -2.345 644 HB3 ASN2093 2HB ASN2093 4.711 18.571 -3.307 645 HD21 ASN2093 1HD2 ASN2093 6.633 20.945 -2.651 646 HD22 ASN2093 2HD2 ASN2093 5.571 22.303 -2.470 647 H VAL2094 H VAL2094 2.179 18.594 -2.329 648 HA VAL2094 HA VAL2094 1.094 16.059 -2.041 649 HB VAL2094 HB VAL2094 0.187 18.452 -2.798 650 HG11 VAL2094 1HG1 VAL2094 0.267 16.915 -5.414 651 HG12 VAL2094 2HG1 VAL2094 -0.427 18.529 -5.127 652 HG13 VAL2094 3HG1 VAL2094 1.333 18.285 -5.019 653 HG21 VAL2094 3HG2 VAL2094 -1.511 16.414 -4.004 654 HG22 VAL2094 1HG2 VAL2094 -0.873 15.896 -2.426 655 HG23 VAL2094 2HG2 VAL2094 -1.783 17.421 -2.561 656 H LYS2095 H LYS2095 3.141 17.501 -4.625 657 HA LYS2095 HA LYS2095 2.884 15.574 -6.546 658 HB2 LYS2095 1HB LYS2095 4.337 17.827 -6.241 659 HB3 LYS2095 2HB LYS2095 5.624 16.615 -6.099 660 HG2 LYS2095 1HG LYS2095 4.522 15.559 -8.224 661 HG3 LYS2095 2HG LYS2095 3.727 17.132 -8.414 662 HD2 LYS2095 1HD LYS2095 5.616 17.666 -9.569 663 HD3 LYS2095 2HD LYS2095 6.328 17.908 -7.966 664 HE2 LYS2095 1HE LYS2095 6.506 15.126 -8.476 665 HE3 LYS2095 2HE LYS2095 6.964 15.910 -9.997 666 HZ1 LYS2095 2HZ LYS2095 8.950 15.914 -8.837 667 HZ3 LYS2095 1HZ LYS2095 8.264 16.090 -7.371 668 H ASP2096 H ASP2096 5.090 15.598 -3.673 669 HA ASP2096 HA ASP2096 6.276 13.171 -4.303 670 HB2 ASP2096 1HB ASP2096 7.423 13.484 -2.347 671 HB3 ASP2096 2HB ASP2096 6.718 15.105 -2.445 672 HD2 ASP2096 HD ASP2096 5.235 12.502 0.226 673 H LEU2097 H LEU2097 3.410 14.141 -2.329 674 HA LEU2097 HA LEU2097 2.889 11.701 -1.131 675 HB2 LEU2097 1HB LEU2097 1.800 13.543 -0.283 676 HB3 LEU2097 2HB LEU2097 1.228 14.083 -1.872 677 HG LEU2097 HG LEU2097 -0.430 12.340 -1.926 678 HD11 LEU2097 1HD1 LEU2097 1.215 11.171 0.219 679 HD12 LEU2097 2HD1 LEU2097 -0.542 11.055 0.474 680 HD13 LEU2097 3HD1 LEU2097 0.189 10.389 -1.007 681 HD21 LEU2097 3HD2 LEU2097 -1.359 12.905 0.617 682 HD22 LEU2097 1HD2 LEU2097 -0.292 14.282 0.249 683 HD23 LEU2097 2HD2 LEU2097 -1.633 13.876 -0.849 684 H THR2098 H THR2098 1.959 13.001 -4.359 685 HA THR2098 HA THR2098 0.309 10.817 -5.043 686 HB THR2098 HB THR2098 1.750 13.049 -6.535 687 HG1 THR2098 1HG THR2098 -0.205 13.442 -5.248 688 HG21 THR2098 3HG2 THR2098 0.842 10.580 -7.708 689 HG22 THR2098 1HG2 THR2098 -0.375 11.825 -8.075 690 HG23 THR2098 2HG2 THR2098 1.322 12.072 -8.553 691 H GLN2099 H GLN2099 3.805 11.516 -5.597 692 HA GLN2099 HA GLN2099 4.343 9.432 -7.246 693 HB2 GLN2099 1HB GLN2099 5.795 11.332 -5.757 694 HB3 GLN2099 2HB GLN2099 6.480 9.767 -5.283 695 HG2 GLN2099 1HG GLN2099 6.101 9.656 -8.098 696 HG3 GLN2099 2HG GLN2099 6.802 11.248 -7.769 697 HE21 GLN2099 1HE2 GLN2099 8.617 10.393 -8.961 698 HE22 GLN2099 2HE2 GLN2099 9.822 9.441 -8.160 699 H ALA2100 H ALA2100 4.433 9.457 -3.613 700 HA ALA2100 HA ALA2100 5.167 6.799 -3.301 701 HB1 ALA2100 3HB ALA2100 4.836 7.222 -1.067 702 HB2 ALA2100 1HB ALA2100 4.826 8.901 -1.657 703 HB3 ALA2100 2HB ALA2100 3.290 8.058 -1.341 704 H TRP2101 H TRP2101 1.894 8.346 -3.486 705 HA TRP2101 HA TRP2101 0.420 6.034 -3.079 706 HB2 TRP2101 1HB TRP2101 -0.041 8.744 -3.755 707 HB3 TRP2101 2HB TRP2101 -0.917 7.758 -4.928 708 HD1 TRP2101 HD TRP2101 -1.530 9.319 -1.714 709 HE1 TRP2101 1HE TRP2101 -3.494 8.241 -0.320 710 HE3 TRP2101 3HE TRP2101 -1.777 5.011 -4.401 711 HZ2 TRP2101 2HZ TRP2101 -4.899 5.763 -0.494 712 HZ3 TRP2101 3HZ TRP2101 -3.473 3.313 -3.724 713 HH2 TRP2101 HH TRP2101 -5.000 3.635 -1.843 714 H ASP2102 H ASP2102 1.897 7.492 -6.032 715 HA ASP2102 HA ASP2102 0.734 5.897 -7.900 716 HB2 ASP2102 1HB ASP2102 2.746 7.803 -7.824 717 HB3 ASP2102 2HB ASP2102 3.637 6.358 -8.325 718 HD2 ASP2102 HD ASP2102 2.597 7.966 -11.333 719 H LEU2103 H LEU2103 3.835 5.424 -6.045 720 HA LEU2103 HA LEU2103 4.540 2.989 -7.164 721 HB2 LEU2103 1HB LEU2103 5.168 4.476 -4.670 722 HB3 LEU2103 2HB LEU2103 5.651 2.773 -4.769 723 HG LEU2103 HG LEU2103 6.697 3.552 -7.066 724 HD11 LEU2103 1HD1 LEU2103 6.770 6.143 -5.498 725 HD12 LEU2103 2HD1 LEU2103 7.495 5.819 -7.092 726 HD13 LEU2103 3HD1 LEU2103 5.726 5.838 -6.907 727 HD21 LEU2103 3HD2 LEU2103 7.985 2.580 -5.279 728 HD22 LEU2103 1HD2 LEU2103 8.825 4.030 -5.882 729 HD23 LEU2103 2HD2 LEU2103 7.920 4.097 -4.349 730 H TYR2104 H TYR2104 2.654 3.694 -4.143 731 HA TYR2104 HA TYR2104 2.188 1.085 -3.401 732 HB2 TYR2104 1HB TYR2104 0.856 3.803 -3.211 733 HB3 TYR2104 2HB TYR2104 -0.101 2.418 -2.670 734 HD1 TYR2104 2HD TYR2104 3.510 2.227 -2.238 735 HD2 TYR2104 1HD TYR2104 -0.149 3.478 -0.408 736 HE1 TYR2104 2HE TYR2104 4.667 2.326 0.022 737 HE2 TYR2104 1HE TYR2104 1.020 3.572 1.847 738 HH TYR2104 HH TYR2104 4.394 2.543 2.173 739 H TYR2105 H TYR2105 0.039 3.235 -5.402 740 HA TYR2105 HA TYR2105 -1.968 1.470 -5.899 741 HB2 TYR2105 1HB TYR2105 -1.201 3.981 -6.671 742 HB3 TYR2105 2HB TYR2105 -0.770 3.121 -8.153 743 HD1 TYR2105 2HD TYR2105 -3.056 1.088 -8.082 744 HD2 TYR2105 1HD TYR2105 -2.970 5.326 -7.497 745 HE1 TYR2105 2HE TYR2105 -5.474 1.251 -8.855 746 HE2 TYR2105 1HE TYR2105 -5.386 5.475 -8.272 747 HH TYR2105 HH TYR2105 -7.314 2.640 -8.715 748 H HIS2106 H HIS2106 1.269 1.637 -7.454 749 HA HIS2106 HA HIS2106 0.694 -0.120 -9.538 750 HB2 HIS2106 1HB HIS2106 3.073 1.066 -8.272 751 HB3 HIS2106 2HB HIS2106 3.367 -0.483 -9.072 752 HD1 HIS2106 1HD HIS2106 4.613 0.363 -11.120 753 HD2 HIS2106 2HD HIS2106 0.940 2.299 -10.523 754 HE1 HIS2106 1HE HIS2106 4.204 1.776 -13.205 755 HE2 HIS2106 2HE HIS2106 1.930 2.951 -12.785 756 H VAL2107 H VAL2107 1.953 -0.650 -6.193 757 HA VAL2107 HA VAL2107 2.156 -3.471 -6.592 758 HB VAL2107 HB VAL2107 3.185 -3.483 -4.591 759 HG11 VAL2107 1HG1 VAL2107 3.972 -1.439 -6.019 760 HG12 VAL2107 2HG1 VAL2107 3.247 -0.476 -4.711 761 HG13 VAL2107 3HG1 VAL2107 4.557 -1.626 -4.348 762 HG21 VAL2107 3HG2 VAL2107 2.513 -2.176 -2.613 763 HG22 VAL2107 1HG2 VAL2107 1.271 -1.348 -3.584 764 HG23 VAL2107 2HG2 VAL2107 1.147 -3.099 -3.285 765 H PHE2108 H PHE2108 -0.254 -1.154 -5.330 766 HA PHE2108 HA PHE2108 -1.897 -3.155 -4.171 767 HB2 PHE2108 1HB PHE2108 -1.930 -0.224 -4.885 768 HB3 PHE2108 2HB PHE2108 -3.517 -0.973 -4.669 769 HD1 PHE2108 1HD PHE2108 -0.330 -0.154 -3.005 770 HD2 PHE2108 2HD PHE2108 -4.308 -1.539 -2.494 771 HE1 PHE2108 1HE PHE2108 -0.112 0.137 -0.523 772 HE2 PHE2108 2HE PHE2108 -4.090 -1.247 -0.011 773 HZ PHE2108 HZ PHE2108 -1.995 -0.413 0.946 774 H ARG2109 H ARG2109 -1.571 -1.672 -7.396 775 HA ARG2109 HA ARG2109 -4.086 -2.662 -8.253 776 HB2 ARG2109 1HB ARG2109 -3.574 -1.651 -10.344 777 HB3 ARG2109 2HB ARG2109 -2.784 -0.598 -9.159 778 HG2 ARG2109 1HG ARG2109 -0.920 -0.880 -10.413 779 HG3 ARG2109 2HG ARG2109 -0.820 -2.497 -9.691 780 HD2 ARG2109 1HD ARG2109 -1.812 -3.521 -11.580 781 HD3 ARG2109 2HD ARG2109 -2.513 -2.005 -12.164 782 HE ARG2109 HE ARG2109 0.176 -3.003 -12.672 783 HH11 ARG2109 2HH2 ARG2109 -1.745 -0.041 -12.371 784 HH12 ARG2109 1HH2 ARG2109 -0.672 0.902 -13.350 785 H ARG2110 H ARG2110 -0.759 -3.806 -8.071 786 HA ARG2110 HA ARG2110 -1.023 -5.727 -10.117 787 HB2 ARG2110 1HB ARG2110 1.001 -4.886 -8.132 788 HB3 ARG2110 2HB ARG2110 1.042 -6.627 -8.460 789 HG2 ARG2110 1HG ARG2110 0.888 -4.655 -10.746 790 HG3 ARG2110 2HG ARG2110 2.448 -4.956 -9.958 791 HD2 ARG2110 1HD ARG2110 0.727 -7.271 -10.870 792 HD3 ARG2110 2HD ARG2110 1.728 -6.409 -12.049 793 HE ARG2110 HE ARG2110 3.248 -7.125 -9.684 794 HH11 ARG2110 2HH2 ARG2110 1.949 -8.467 -12.695 795 HH12 ARG2110 1HH2 ARG2110 3.137 -9.724 -12.794 796 H ILE2111 H ILE2111 -1.050 -5.801 -6.483 797 HA ILE2111 HA ILE2111 -1.271 -8.436 -6.000 798 HB ILE2111 HB ILE2111 -2.827 -7.697 -4.095 799 HG12 ILE2111 1HG1 ILE2111 -2.114 -4.994 -5.249 800 HG13 ILE2111 2HG1 ILE2111 -3.738 -5.697 -5.158 801 HG21 ILE2111 1HG2 ILE2111 -0.168 -7.848 -4.310 802 HG22 ILE2111 2HG2 ILE2111 -0.319 -6.101 -3.998 803 HG23 ILE2111 3HG2 ILE2111 -0.986 -7.274 -2.836 804 HD11 ILE2111 3HD1 ILE2111 -3.538 -4.197 -3.289 805 HD12 ILE2111 1HD1 ILE2111 -3.380 -5.838 -2.618 806 HD13 ILE2111 2HD1 ILE2111 -1.931 -4.833 -2.863 807 H SER2112 H SER2112 -3.782 -6.268 -7.349 808 HA SER2112 HA SER2112 -5.738 -8.337 -7.226 809 HB2 SER2112 1HB SER2112 -7.136 -6.684 -8.504 810 HB3 SER2112 2HB SER2112 -6.486 -6.041 -6.986 811 HG SER2112 HG SER2112 -6.120 -5.160 -9.569 812 H LYS2113 H LYS2113 -3.726 -6.683 -9.738 813 HA LYS2113 HA LYS2113 -4.778 -7.938 -11.961 814 HB2 LYS2113 1HB LYS2113 -2.638 -6.204 -11.331 815 HB3 LYS2113 2HB LYS2113 -1.948 -7.537 -12.270 816 HG2 LYS2113 1HG LYS2113 -2.655 -5.952 -13.887 817 HG3 LYS2113 2HG LYS2113 -3.934 -7.178 -13.898 818 HD2 LYS2113 1HD LYS2113 -5.071 -5.636 -12.109 819 HD3 LYS2113 2HD LYS2113 -3.965 -4.387 -12.708 820 HE2 LYS2113 1HE LYS2113 -5.284 -4.040 -14.505 821 HE3 LYS2113 2HE LYS2113 -5.187 -5.747 -14.960 822 HZ1 LYS2113 2HZ LYS2113 -7.098 -6.215 -13.695 823 HZ3 LYS2113 1HZ LYS2113 -7.476 -4.783 -14.372 824 H GLN2114 H GLN2114 -4.409 -9.886 -13.026 825 HA GLN2114 HA GLN2114 -3.859 -11.969 -13.286 826 HB2 GLN2114 1HB GLN2114 -1.445 -11.124 -11.661 827 HB3 GLN2114 2HB GLN2114 -1.617 -12.779 -12.276 828 HG2 GLN2114 1HG GLN2114 -1.972 -11.730 -14.586 829 HG3 GLN2114 2HG GLN2114 -1.461 -10.189 -13.878 830 HE21 GLN2114 1HE2 GLN2114 -0.399 -12.400 -15.821 831 HE22 GLN2114 2HE2 GLN2114 1.269 -12.571 -15.379 Start of MODEL 19 1 H MET2014 H MET2014 -16.196 -5.505 1.956 2 HA MET2014 HA MET2014 -14.239 -7.190 0.997 3 HB2 MET2014 1HB MET2014 -15.573 -8.218 3.308 4 HB3 MET2014 2HB MET2014 -16.231 -9.120 1.931 5 HG2 MET2014 1HG MET2014 -13.677 -9.326 1.239 6 HG3 MET2014 2HG MET2014 -13.380 -8.972 2.943 7 HE1 MET2014 3HE MET2014 -13.881 -11.119 4.947 8 HE2 MET2014 1HE MET2014 -15.122 -9.888 4.615 9 HE3 MET2014 2HE MET2014 -15.573 -11.608 4.693 10 H GLU2015 H GLU2015 -15.218 -8.824 -0.668 11 HA GLU2015 HA GLU2015 -17.597 -7.538 -1.754 12 HB2 GLU2015 1HB GLU2015 -15.156 -7.825 -2.936 13 HB3 GLU2015 2HB GLU2015 -15.960 -9.289 -3.524 14 HG2 GLU2015 1HG GLU2015 -17.722 -8.021 -4.538 15 HG3 GLU2015 2HG GLU2015 -17.264 -6.543 -3.680 16 HE2 GLU2015 HE GLU2015 -15.392 -5.603 -6.367 17 H LEU2016 H LEU2016 -16.384 -10.376 -0.251 18 HA LEU2016 HA LEU2016 -17.379 -12.282 0.281 19 HB2 LEU2016 1HB LEU2016 -19.501 -10.631 -0.194 20 HB3 LEU2016 2HB LEU2016 -19.839 -11.989 -1.282 21 HG LEU2016 HG LEU2016 -19.060 -12.769 1.452 22 HD11 LEU2016 1HD1 LEU2016 -21.609 -11.198 0.989 23 HD12 LEU2016 2HD1 LEU2016 -21.283 -12.208 2.419 24 HD13 LEU2016 3HD1 LEU2016 -20.267 -10.786 2.082 25 HD21 LEU2016 3HD2 LEU2016 -21.427 -13.510 -0.289 26 HD22 LEU2016 1HD2 LEU2016 -19.857 -14.348 -0.263 27 HD23 LEU2016 2HD2 LEU2016 -20.887 -14.343 1.189 28 H ILE2017 H ILE2017 -15.992 -11.479 -2.434 29 HA ILE2017 HA ILE2017 -16.757 -13.932 -3.856 30 HB ILE2017 HB ILE2017 -15.739 -11.270 -4.806 31 HG12 ILE2017 1HG1 ILE2017 -18.113 -11.416 -4.642 32 HG13 ILE2017 2HG1 ILE2017 -17.680 -11.501 -6.357 33 HG21 ILE2017 1HG2 ILE2017 -14.483 -12.249 -6.353 34 HG22 ILE2017 2HG2 ILE2017 -15.036 -13.870 -5.869 35 HG23 ILE2017 3HG2 ILE2017 -15.975 -12.926 -7.049 36 HD11 ILE2017 3HD1 ILE2017 -19.079 -13.315 -6.348 37 HD12 ILE2017 1HD1 ILE2017 -17.663 -14.163 -5.680 38 HD13 ILE2017 2HD1 ILE2017 -18.927 -13.545 -4.589 39 H ARG2018 H ARG2018 -13.803 -11.862 -4.005 40 HA ARG2018 HA ARG2018 -12.069 -13.874 -4.336 41 HB2 ARG2018 1HB ARG2018 -11.582 -11.400 -4.431 42 HB3 ARG2018 2HB ARG2018 -11.526 -11.371 -2.660 43 HG2 ARG2018 1HG ARG2018 -9.450 -12.282 -2.609 44 HG3 ARG2018 2HG ARG2018 -9.831 -13.480 -3.859 45 HD2 ARG2018 1HD ARG2018 -9.795 -10.919 -5.128 46 HD3 ARG2018 2HD ARG2018 -8.355 -10.994 -4.102 47 HE ARG2018 HE ARG2018 -8.845 -13.398 -5.728 48 HH11 ARG2018 2HH2 ARG2018 -7.225 -10.251 -5.575 49 HH12 ARG2018 1HH2 ARG2018 -6.050 -10.658 -6.783 50 H VAL2019 H VAL2019 -10.667 -15.141 -2.937 51 HA VAL2019 HA VAL2019 -11.753 -16.394 -0.846 52 HB VAL2019 HB VAL2019 -9.818 -17.347 -1.538 53 HG11 VAL2019 1HG1 VAL2019 -7.636 -15.739 -1.571 54 HG12 VAL2019 2HG1 VAL2019 -8.711 -15.981 -2.968 55 HG13 VAL2019 3HG1 VAL2019 -8.911 -14.548 -1.930 56 HG21 VAL2019 3HG2 VAL2019 -9.669 -17.335 0.871 57 HG22 VAL2019 1HG2 VAL2019 -8.036 -17.106 0.199 58 HG23 VAL2019 2HG2 VAL2019 -8.928 -15.716 0.864 59 HA PRO2020 HA PRO2020 -12.025 -13.493 2.362 60 HB2 PRO2020 1HB PRO2020 -12.675 -15.178 4.412 61 HB3 PRO2020 2HB PRO2020 -13.857 -14.564 3.259 62 HG2 PRO2020 1HG PRO2020 -12.589 -17.221 3.441 63 HG3 PRO2020 2HG PRO2020 -14.109 -16.758 2.595 64 HD2 PRO2020 1HD PRO2020 -11.542 -17.323 1.461 65 HD3 PRO2020 2HD PRO2020 -12.965 -16.716 0.602 66 H ILE2021 H ILE2021 -9.872 -16.167 2.479 67 HA ILE2021 HA ILE2021 -8.383 -14.804 4.601 68 HB ILE2021 HB ILE2021 -8.084 -17.617 3.544 69 HG12 ILE2021 1HG1 ILE2021 -10.288 -17.225 4.581 70 HG13 ILE2021 2HG1 ILE2021 -9.289 -18.371 5.493 71 HG21 ILE2021 1HG2 ILE2021 -6.542 -15.970 5.410 72 HG22 ILE2021 2HG2 ILE2021 -7.056 -17.529 6.097 73 HG23 ILE2021 3HG2 ILE2021 -6.114 -17.489 4.588 74 HD11 ILE2021 3HD1 ILE2021 -9.486 -17.068 7.330 75 HD12 ILE2021 1HD1 ILE2021 -8.741 -15.708 6.454 76 HD13 ILE2021 2HD1 ILE2021 -10.505 -15.939 6.407 77 H LEU2022 H LEU2022 -7.215 -13.199 3.594 78 HA LEU2022 HA LEU2022 -4.932 -13.941 2.185 79 HB2 LEU2022 1HB LEU2022 -5.438 -12.970 -0.012 80 HB3 LEU2022 2HB LEU2022 -6.317 -14.472 0.328 81 HG LEU2022 HG LEU2022 -8.053 -13.332 -0.528 82 HD11 LEU2022 1HD1 LEU2022 -9.349 -12.023 1.150 83 HD12 LEU2022 2HD1 LEU2022 -8.767 -13.596 1.749 84 HD13 LEU2022 3HD1 LEU2022 -7.939 -12.097 2.235 85 HD21 LEU2022 3HD2 LEU2022 -7.986 -10.629 -0.065 86 HD22 LEU2022 1HD2 LEU2022 -6.258 -11.036 -0.194 87 HD23 LEU2022 2HD2 LEU2022 -7.371 -11.447 -1.520 88 H TRP2023 H TRP2023 -3.636 -11.999 1.562 89 HA TRP2023 HA TRP2023 -4.153 -9.910 3.468 90 HB2 TRP2023 1HB TRP2023 -1.907 -10.700 1.672 91 HB3 TRP2023 2HB TRP2023 -1.973 -9.039 2.265 92 HD1 TRP2023 HD TRP2023 -3.363 -11.046 4.990 93 HE1 TRP2023 1HE TRP2023 -1.627 -11.658 6.880 94 HE3 TRP2023 3HE TRP2023 0.779 -9.845 2.298 95 HZ2 TRP2023 2HZ TRP2023 1.223 -11.571 7.033 96 HZ3 TRP2023 3HZ TRP2023 3.000 -10.139 3.392 97 HH2 TRP2023 HH TRP2023 3.261 -10.969 5.677 98 H HIS2024 H HIS2024 -4.179 -10.448 -0.092 99 HA HIS2024 HA HIS2024 -4.358 -7.928 -1.023 100 HB2 HIS2024 1HB HIS2024 -6.241 -10.010 -2.074 101 HB3 HIS2024 2HB HIS2024 -5.276 -8.823 -2.959 102 HD1 HIS2024 1HD HIS2024 -5.355 -12.338 -2.058 103 HD2 HIS2024 2HD HIS2024 -2.353 -9.506 -2.811 104 HE1 HIS2024 1HE HIS2024 -3.229 -13.661 -2.543 105 HE2 HIS2024 2HE HIS2024 -1.409 -11.871 -2.997 106 H GLU2025 H GLU2025 -6.630 -9.598 1.060 107 HA GLU2025 HA GLU2025 -8.881 -8.077 0.392 108 HB2 GLU2025 1HB GLU2025 -8.587 -10.317 1.762 109 HB3 GLU2025 2HB GLU2025 -8.476 -9.227 3.154 110 HG2 GLU2025 1HG GLU2025 -10.684 -8.520 1.351 111 HG3 GLU2025 2HG GLU2025 -10.832 -10.177 1.955 112 HE2 GLU2025 HE GLU2025 -10.932 -9.013 5.331 113 H MET2026 H MET2026 -6.218 -7.702 2.783 114 HA MET2026 HA MET2026 -7.414 -5.499 4.059 115 HB2 MET2026 1HB MET2026 -5.432 -5.485 5.347 116 HB3 MET2026 2HB MET2026 -5.471 -7.166 4.792 117 HG2 MET2026 1HG MET2026 -3.271 -6.574 4.278 118 HG3 MET2026 2HG MET2026 -4.070 -6.197 2.748 119 HE1 MET2026 3HE MET2026 -1.381 -5.048 4.693 120 HE2 MET2026 1HE MET2026 -1.466 -4.904 2.921 121 HE3 MET2026 2HE MET2026 -1.245 -3.449 3.921 122 H TRP2027 H TRP2027 -5.318 -5.935 1.219 123 HA TRP2027 HA TRP2027 -4.426 -3.257 1.073 124 HB2 TRP2027 1HB TRP2027 -4.607 -5.473 -0.964 125 HB3 TRP2027 2HB TRP2027 -3.881 -3.897 -1.294 126 HD1 TRP2027 HD TRP2027 -3.277 -7.038 0.904 127 HE1 TRP2027 1HE TRP2027 -0.740 -7.218 1.609 128 HE3 TRP2027 3HE TRP2027 -1.878 -2.547 -1.028 129 HZ2 TRP2027 2HZ TRP2027 1.517 -5.501 1.286 130 HZ3 TRP2027 3HZ TRP2027 0.511 -1.873 -0.789 131 HH2 TRP2027 HH TRP2027 2.183 -3.269 0.321 132 H HIS2028 H HIS2028 -7.068 -5.156 -0.547 133 HA HIS2028 HA HIS2028 -8.063 -3.073 -2.058 134 HB2 HIS2028 1HB HIS2028 -9.054 -4.930 -2.779 135 HB3 HIS2028 2HB HIS2028 -8.912 -5.742 -1.216 136 HD1 HIS2028 1HD HIS2028 -11.308 -3.975 -3.422 137 HD2 HIS2028 2HD HIS2028 -11.116 -5.167 0.595 138 HE1 HIS2028 1HE HIS2028 -13.689 -3.829 -2.518 139 HE2 HIS2028 2HE HIS2028 -13.516 -4.572 -0.038 140 H GLU2029 H GLU2029 -9.264 -4.297 1.152 141 HA GLU2029 HA GLU2029 -11.064 -2.206 1.462 142 HB2 GLU2029 1HB GLU2029 -11.506 -3.120 3.562 143 HB3 GLU2029 2HB GLU2029 -10.858 -4.518 2.689 144 HG2 GLU2029 1HG GLU2029 -8.571 -3.890 3.646 145 HG3 GLU2029 2HG GLU2029 -9.407 -2.724 4.682 146 HE2 GLU2029 HE GLU2029 -10.197 -6.631 5.252 147 H GLY2030 H GLY2030 -7.636 -2.650 2.451 148 HA2 GLY2030 2HA GLY2030 -7.354 -0.496 4.171 149 HA3 GLY2030 3HA GLY2030 -6.092 -1.184 3.167 150 H LEU2031 H LEU2031 -6.417 -0.576 0.652 151 HA LEU2031 HA LEU2031 -5.990 2.159 0.476 152 HB2 LEU2031 1HB LEU2031 -5.491 0.058 -1.075 153 HB3 LEU2031 2HB LEU2031 -6.925 0.670 -1.918 154 HG LEU2031 HG LEU2031 -5.865 2.714 -2.448 155 HD11 LEU2031 1HD1 LEU2031 -4.027 2.011 -0.210 156 HD12 LEU2031 2HD1 LEU2031 -3.369 2.969 -1.558 157 HD13 LEU2031 3HD1 LEU2031 -4.774 3.567 -0.643 158 HD21 LEU2031 3HD2 LEU2031 -4.665 1.812 -4.081 159 HD22 LEU2031 1HD2 LEU2031 -3.385 1.325 -2.944 160 HD23 LEU2031 2HD2 LEU2031 -4.771 0.248 -3.237 161 H GLU2032 H GLU2032 -8.954 0.202 0.303 162 HA GLU2032 HA GLU2032 -10.582 1.982 -0.980 163 HB2 GLU2032 1HB GLU2032 -10.880 -0.332 0.802 164 HB3 GLU2032 2HB GLU2032 -12.226 0.812 0.955 165 HG2 GLU2032 1HG GLU2032 -11.847 0.686 -1.789 166 HG3 GLU2032 2HG GLU2032 -11.492 -0.976 -1.290 167 HE2 GLU2032 HE GLU2032 -15.200 0.350 -1.326 168 H GLU2033 H GLU2033 -9.945 1.664 2.585 169 HA GLU2033 HA GLU2033 -11.539 3.879 3.216 170 HB2 GLU2033 1HB GLU2033 -11.142 2.224 4.899 171 HB3 GLU2033 2HB GLU2033 -9.382 2.368 4.738 172 HG2 GLU2033 1HG GLU2033 -9.315 4.112 6.176 173 HG3 GLU2033 2HG GLU2033 -10.641 4.948 5.355 174 HE2 GLU2033 HE GLU2033 -11.290 3.105 8.747 175 H ALA2034 H ALA2034 -7.954 3.400 2.914 176 HA ALA2034 HA ALA2034 -7.179 5.957 3.594 177 HB1 ALA2034 3HB ALA2034 -5.526 4.269 3.401 178 HB2 ALA2034 1HB ALA2034 -6.039 3.835 1.753 179 HB3 ALA2034 2HB ALA2034 -5.196 5.374 2.047 180 H SER2035 H SER2035 -8.079 4.600 0.354 181 HA SER2035 HA SER2035 -7.584 6.876 -1.081 182 HB2 SER2035 1HB SER2035 -9.460 4.540 -1.422 183 HB3 SER2035 2HB SER2035 -9.521 5.878 -2.584 184 HG SER2035 HG SER2035 -7.713 3.812 -2.369 185 H ARG2036 H ARG2036 -10.575 5.801 0.649 186 HA ARG2036 HA ARG2036 -12.195 7.840 -0.213 187 HB2 ARG2036 1HB ARG2036 -12.163 5.861 1.987 188 HB3 ARG2036 2HB ARG2036 -13.097 7.315 2.371 189 HG2 ARG2036 1HG ARG2036 -13.757 6.593 -0.304 190 HG3 ARG2036 2HG ARG2036 -13.793 5.092 0.638 191 HD2 ARG2036 1HD ARG2036 -15.101 6.741 2.356 192 HD3 ARG2036 2HD ARG2036 -15.531 7.528 0.830 193 HE ARG2036 HE ARG2036 -16.947 5.731 0.388 194 HH11 ARG2036 2HH2 ARG2036 -14.493 4.657 2.707 195 HH12 ARG2036 1HH2 ARG2036 -15.197 3.088 2.914 196 H LEU2037 H LEU2037 -9.732 7.685 2.372 197 HA LEU2037 HA LEU2037 -10.522 10.090 3.648 198 HB2 LEU2037 1HB LEU2037 -7.941 8.534 3.689 199 HB3 LEU2037 2HB LEU2037 -8.325 9.891 4.764 200 HG LEU2037 HG LEU2037 -10.279 7.662 4.736 201 HD11 LEU2037 1HD1 LEU2037 -8.435 6.698 6.551 202 HD12 LEU2037 2HD1 LEU2037 -8.779 6.025 4.937 203 HD13 LEU2037 3HD1 LEU2037 -7.429 7.164 5.156 204 HD21 LEU2037 3HD2 LEU2037 -9.454 9.824 6.451 205 HD22 LEU2037 1HD2 LEU2037 -10.899 8.788 6.543 206 HD23 LEU2037 2HD2 LEU2037 -9.389 8.281 7.336 207 H TYR2038 H TYR2038 -8.414 9.225 0.907 208 HA TYR2038 HA TYR2038 -7.292 11.875 0.770 209 HB2 TYR2038 1HB TYR2038 -6.107 9.742 0.127 210 HB3 TYR2038 2HB TYR2038 -7.355 9.405 -1.075 211 HD1 TYR2038 2HD TYR2038 -4.782 11.974 -0.171 212 HD2 TYR2038 1HD TYR2038 -7.025 10.086 -3.285 213 HE1 TYR2038 2HE TYR2038 -3.429 13.232 -1.917 214 HE2 TYR2038 1HE TYR2038 -5.664 11.348 -5.022 215 HH TYR2038 HH TYR2038 -3.976 12.659 -5.377 216 H PHE2039 H PHE2039 -9.471 9.835 -1.310 217 HA PHE2039 HA PHE2039 -10.062 12.025 -3.013 218 HB2 PHE2039 1HB PHE2039 -11.203 9.239 -2.448 219 HB3 PHE2039 2HB PHE2039 -11.906 10.274 -3.697 220 HD1 PHE2039 1HD PHE2039 -10.273 11.106 -5.531 221 HD2 PHE2039 2HD PHE2039 -9.449 7.827 -2.967 222 HE1 PHE2039 1HE PHE2039 -8.576 10.252 -7.170 223 HE2 PHE2039 2HE PHE2039 -7.753 6.971 -4.607 224 HZ PHE2039 HZ PHE2039 -7.336 8.194 -6.689 225 H GLY2040 H GLY2040 -11.820 10.306 -0.353 226 HA2 GLY2040 2HA GLY2040 -14.189 11.832 -0.556 227 HA3 GLY2040 3HA GLY2040 -13.669 10.857 0.803 228 H GLU2041 H GLU2041 -11.481 11.947 1.879 229 HA GLU2041 HA GLU2041 -12.274 14.718 2.337 230 HB2 GLU2041 1HB GLU2041 -12.162 12.636 4.166 231 HB3 GLU2041 2HB GLU2041 -10.618 13.464 4.435 232 HG2 GLU2041 1HG GLU2041 -12.338 14.423 5.883 233 HG3 GLU2041 2HG GLU2041 -11.869 15.626 4.673 234 HE2 GLU2041 HE GLU2041 -15.379 13.756 4.066 235 H ARG2042 H ARG2042 -10.069 15.689 3.707 236 HA ARG2042 HA ARG2042 -7.967 15.287 1.732 237 HB2 ARG2042 1HB ARG2042 -8.567 17.783 3.386 238 HB3 ARG2042 2HB ARG2042 -7.301 17.647 2.153 239 HG2 ARG2042 1HG ARG2042 -10.314 17.493 1.750 240 HG3 ARG2042 2HG ARG2042 -9.230 18.771 1.171 241 HD2 ARG2042 1HD ARG2042 -8.019 16.816 -0.097 242 HD3 ARG2042 2HD ARG2042 -9.517 15.914 0.183 243 HE ARG2042 HE ARG2042 -9.968 18.578 -0.931 244 HH11 ARG2042 2HH2 ARG2042 -9.215 15.215 -1.755 245 HH12 ARG2042 1HH2 ARG2042 -9.829 15.342 -3.369 246 H ASN2043 H ASN2043 -8.440 13.768 4.264 247 HA ASN2043 HA ASN2043 -6.363 14.800 5.981 248 HB2 ASN2043 1HB ASN2043 -8.772 13.478 6.464 249 HB3 ASN2043 2HB ASN2043 -7.581 12.188 6.692 250 HD21 ASN2043 1HD2 ASN2043 -8.842 12.667 8.853 251 HD22 ASN2043 2HD2 ASN2043 -7.992 13.657 9.992 252 H VAL2044 H VAL2044 -4.446 14.295 4.725 253 HA VAL2044 HA VAL2044 -4.072 11.806 3.469 254 HB VAL2044 HB VAL2044 -2.355 14.142 4.225 255 HG11 VAL2044 1HG1 VAL2044 -0.553 12.832 2.810 256 HG12 VAL2044 2HG1 VAL2044 -0.695 12.579 4.566 257 HG13 VAL2044 3HG1 VAL2044 -1.413 11.405 3.436 258 HG21 VAL2044 3HG2 VAL2044 -2.227 14.526 1.901 259 HG22 VAL2044 1HG2 VAL2044 -2.767 12.876 1.510 260 HG23 VAL2044 2HG2 VAL2044 -3.916 14.049 2.194 261 H LYS2045 H LYS2045 -4.209 12.675 6.761 262 HA LYS2045 HA LYS2045 -2.166 10.946 7.721 263 HB2 LYS2045 1HB LYS2045 -3.185 11.379 9.909 264 HB3 LYS2045 2HB LYS2045 -2.884 12.874 9.007 265 HG2 LYS2045 1HG LYS2045 -5.042 13.354 9.537 266 HG3 LYS2045 2HG LYS2045 -5.450 12.261 8.204 267 HD2 LYS2045 1HD LYS2045 -6.739 11.425 9.975 268 HD3 LYS2045 2HD LYS2045 -5.308 10.381 10.038 269 HE2 LYS2045 1HE LYS2045 -4.378 11.652 11.871 270 HE3 LYS2045 2HE LYS2045 -5.600 12.922 11.701 271 HZ1 LYS2045 2HZ LYS2045 -7.042 11.699 12.909 272 HZ3 LYS2045 1HZ LYS2045 -5.791 10.755 13.344 273 H GLY2046 H GLY2046 -5.691 10.687 7.076 274 HA2 GLY2046 2HA GLY2046 -6.180 8.241 8.307 275 HA3 GLY2046 3HA GLY2046 -7.040 8.896 6.928 276 H MET2047 H MET2047 -5.364 8.901 4.817 277 HA MET2047 HA MET2047 -5.256 6.264 4.078 278 HB2 MET2047 1HB MET2047 -3.423 7.453 2.407 279 HB3 MET2047 2HB MET2047 -5.174 7.641 2.208 280 HG2 MET2047 1HG MET2047 -5.172 9.798 3.116 281 HG3 MET2047 2HG MET2047 -3.716 9.515 4.074 282 HE1 MET2047 3HE MET2047 -1.729 8.196 1.654 283 HE2 MET2047 1HE MET2047 -0.855 9.745 1.574 284 HE3 MET2047 2HE MET2047 -1.456 9.141 3.137 285 H PHE2048 H PHE2048 -2.622 8.447 5.266 286 HA PHE2048 HA PHE2048 -0.589 6.522 4.971 287 HB2 PHE2048 1HB PHE2048 -1.099 9.128 6.452 288 HB3 PHE2048 2HB PHE2048 0.366 8.225 6.850 289 HD1 PHE2048 1HD PHE2048 0.798 7.184 3.972 290 HD2 PHE2048 2HD PHE2048 0.012 11.039 5.561 291 HE1 PHE2048 1HE PHE2048 1.962 8.230 2.009 292 HE2 PHE2048 2HE PHE2048 1.176 12.086 3.599 293 HZ PHE2048 HZ PHE2048 2.136 10.670 1.846 294 H GLU2049 H GLU2049 -2.850 7.388 7.623 295 HA GLU2049 HA GLU2049 -1.483 5.780 9.505 296 HB2 GLU2049 1HB GLU2049 -4.239 7.060 9.497 297 HB3 GLU2049 2HB GLU2049 -3.577 6.192 10.892 298 HG2 GLU2049 1HG GLU2049 -1.914 8.353 9.619 299 HG3 GLU2049 2HG GLU2049 -3.295 8.847 10.612 300 HE2 GLU2049 HE GLU2049 -0.069 7.192 12.289 301 H VAL2050 H VAL2050 -3.540 5.125 6.845 302 HA VAL2050 HA VAL2050 -4.776 2.799 8.027 303 HB VAL2050 HB VAL2050 -4.834 4.153 5.342 304 HG11 VAL2050 1HG1 VAL2050 -5.995 1.444 6.065 305 HG12 VAL2050 2HG1 VAL2050 -6.514 2.404 4.659 306 HG13 VAL2050 3HG1 VAL2050 -4.835 1.824 4.768 307 HG21 VAL2050 3HG2 VAL2050 -6.282 4.558 7.648 308 HG22 VAL2050 1HG2 VAL2050 -6.805 5.008 6.008 309 HG23 VAL2050 2HG2 VAL2050 -7.342 3.469 6.723 310 H LEU2051 H LEU2051 -2.188 3.620 5.652 311 HA LEU2051 HA LEU2051 -1.609 0.862 5.167 312 HB2 LEU2051 1HB LEU2051 -0.135 3.396 4.463 313 HB3 LEU2051 2HB LEU2051 0.286 1.777 3.881 314 HG LEU2051 HG LEU2051 -1.258 1.848 2.265 315 HD11 LEU2051 1HD1 LEU2051 -3.566 2.373 2.537 316 HD12 LEU2051 2HD1 LEU2051 -3.039 1.521 4.008 317 HD13 LEU2051 3HD1 LEU2051 -3.250 3.289 4.030 318 HD21 LEU2051 3HD2 LEU2051 -0.189 4.250 2.447 319 HD22 LEU2051 1HD2 LEU2051 -1.481 3.900 1.276 320 HD23 LEU2051 2HD2 LEU2051 -1.865 4.727 2.806 321 H GLU2052 H GLU2052 -0.148 3.564 7.075 322 HA GLU2052 HA GLU2052 2.128 2.581 7.899 323 HB2 GLU2052 1HB GLU2052 0.119 4.326 9.017 324 HB3 GLU2052 2HB GLU2052 0.870 3.401 10.329 325 HG2 GLU2052 1HG GLU2052 3.125 4.041 9.189 326 HG3 GLU2052 2HG GLU2052 2.184 5.259 8.315 327 HE2 GLU2052 HE GLU2052 2.126 7.371 10.995 328 HA PRO2053 HA PRO2053 0.102 -0.414 10.964 329 HB2 PRO2053 1HB PRO2053 -2.607 -0.753 10.965 330 HB3 PRO2053 2HB PRO2053 -1.772 0.336 12.071 331 HG2 PRO2053 1HG PRO2053 -3.335 0.935 9.641 332 HG3 PRO2053 2HG PRO2053 -2.907 2.035 11.001 333 HD2 PRO2053 1HD PRO2053 -1.772 1.926 8.372 334 HD3 PRO2053 2HD PRO2053 -1.211 2.919 9.724 335 H LEU2054 H LEU2054 -2.009 -0.390 8.130 336 HA LEU2054 HA LEU2054 -2.254 -3.087 7.826 337 HB2 LEU2054 1HB LEU2054 -2.244 -0.753 5.981 338 HB3 LEU2054 2HB LEU2054 -2.255 -2.381 5.283 339 HG LEU2054 HG LEU2054 -4.302 -1.218 7.191 340 HD11 LEU2054 1HD1 LEU2054 -4.457 -1.834 4.229 341 HD12 LEU2054 2HD1 LEU2054 -5.832 -1.360 5.255 342 HD13 LEU2054 3HD1 LEU2054 -4.486 -0.226 4.993 343 HD21 LEU2054 3HD2 LEU2054 -4.910 -3.295 7.677 344 HD22 LEU2054 1HD2 LEU2054 -5.269 -3.571 5.956 345 HD23 LEU2054 2HD2 LEU2054 -3.654 -3.950 6.599 346 H HIS2055 H HIS2055 0.321 -0.979 6.361 347 HA HIS2055 HA HIS2055 1.744 -3.087 5.258 348 HB2 HIS2055 1HB HIS2055 2.643 -0.348 6.173 349 HB3 HIS2055 2HB HIS2055 3.634 -1.448 5.206 350 HD1 HIS2055 1HD HIS2055 3.388 0.901 3.648 351 HD2 HIS2055 2HD HIS2055 0.131 -1.734 3.852 352 HE1 HIS2055 1HE HIS2055 1.911 1.432 1.636 353 HE2 HIS2055 2HE HIS2055 -0.084 -0.216 1.809 354 H ALA2056 H ALA2056 2.193 -1.344 8.410 355 HA ALA2056 HA ALA2056 4.374 -2.733 9.312 356 HB1 ALA2056 3HB ALA2056 1.982 -1.507 10.723 357 HB2 ALA2056 1HB ALA2056 3.369 -2.185 11.609 358 HB3 ALA2056 2HB ALA2056 3.607 -0.815 10.498 359 H MET2057 H MET2057 0.863 -3.577 9.584 360 HA MET2057 HA MET2057 1.119 -5.783 11.145 361 HB2 MET2057 1HB MET2057 -1.121 -5.775 10.715 362 HB3 MET2057 2HB MET2057 -0.851 -4.549 9.463 363 HG2 MET2057 1HG MET2057 -0.458 -6.330 7.793 364 HG3 MET2057 2HG MET2057 -0.642 -7.569 9.037 365 HE1 MET2057 3HE MET2057 -3.796 -7.465 6.549 366 HE2 MET2057 1HE MET2057 -2.576 -6.244 6.113 367 HE3 MET2057 2HE MET2057 -2.066 -7.876 6.604 368 H MET2058 H MET2058 1.684 -5.438 7.616 369 HA MET2058 HA MET2058 1.896 -8.201 7.158 370 HB2 MET2058 1HB MET2058 3.204 -5.940 5.573 371 HB3 MET2058 2HB MET2058 2.663 -7.504 4.943 372 HG2 MET2058 1HG MET2058 0.326 -6.540 6.013 373 HG3 MET2058 2HG MET2058 1.101 -5.029 5.532 374 HE1 MET2058 3HE MET2058 -1.678 -6.841 3.232 375 HE2 MET2058 1HE MET2058 -0.808 -8.327 3.689 376 HE3 MET2058 2HE MET2058 -1.253 -7.135 4.935 377 H GLU2059 H GLU2059 4.160 -5.642 8.180 378 HA GLU2059 HA GLU2059 6.473 -7.142 7.623 379 HB2 GLU2059 1HB GLU2059 6.203 -4.897 9.648 380 HB3 GLU2059 2HB GLU2059 7.660 -5.376 8.759 381 HG2 GLU2059 1HG GLU2059 5.180 -3.965 7.741 382 HG3 GLU2059 2HG GLU2059 6.865 -3.443 7.617 383 HE2 GLU2059 HE GLU2059 7.398 -5.157 4.698 384 H ARG2060 H ARG2060 4.948 -6.184 10.791 385 HA ARG2060 HA ARG2060 6.485 -8.092 12.168 386 HB2 ARG2060 1HB ARG2060 5.099 -7.440 14.122 387 HB3 ARG2060 2HB ARG2060 5.658 -6.005 13.241 388 HG2 ARG2060 1HG ARG2060 3.437 -5.999 12.028 389 HG3 ARG2060 2HG ARG2060 2.897 -7.301 13.103 390 HD2 ARG2060 1HD ARG2060 4.081 -4.930 14.462 391 HD3 ARG2060 2HD ARG2060 2.557 -4.616 13.614 392 HE ARG2060 HE ARG2060 1.439 -6.074 15.119 393 HH11 ARG2060 2HH2 ARG2060 4.937 -6.131 15.691 394 HH12 ARG2060 1HH2 ARG2060 4.800 -6.952 17.211 395 H GLY2061 H GLY2061 3.450 -8.124 10.420 396 HA2 GLY2061 2HA GLY2061 2.748 -10.736 11.619 397 HA3 GLY2061 3HA GLY2061 1.597 -9.595 10.952 398 HA PRO2062 HA PRO2062 3.983 -11.690 7.397 399 HB2 PRO2062 1HB PRO2062 5.245 -14.045 7.957 400 HB3 PRO2062 2HB PRO2062 6.083 -12.498 7.882 401 HG2 PRO2062 1HG PRO2062 5.259 -14.094 10.219 402 HG3 PRO2062 2HG PRO2062 6.507 -12.799 10.128 403 HD2 PRO2062 1HD PRO2062 3.871 -12.656 11.239 404 HD3 PRO2062 2HD PRO2062 5.002 -11.314 11.028 405 H GLN2063 H GLN2063 3.975 -14.283 6.447 406 HA GLN2063 HA GLN2063 1.442 -15.320 7.352 407 HB2 GLN2063 1HB GLN2063 1.281 -13.595 5.321 408 HB3 GLN2063 2HB GLN2063 1.747 -15.018 4.374 409 HG2 GLN2063 1HG GLN2063 -0.548 -15.280 4.359 410 HG3 GLN2063 2HG GLN2063 -0.181 -16.168 5.845 411 HE21 GLN2063 1HE2 GLN2063 -2.451 -14.407 4.721 412 HE22 GLN2063 2HE2 GLN2063 -2.862 -13.344 6.025 413 H THR2064 H THR2064 3.565 -15.742 4.425 414 HA THR2064 HA THR2064 4.617 -18.207 5.467 415 HB THR2064 HB THR2064 3.644 -19.515 3.480 416 HG1 THR2064 1HG THR2064 2.039 -18.384 2.317 417 HG21 THR2064 3HG2 THR2064 1.530 -19.969 4.520 418 HG22 THR2064 1HG2 THR2064 2.577 -19.472 5.871 419 HG23 THR2064 2HG2 THR2064 1.412 -18.320 5.178 420 H LEU2065 H LEU2065 6.229 -19.180 3.971 421 HA LEU2065 HA LEU2065 8.016 -17.299 3.111 422 HB2 LEU2065 1HB LEU2065 7.873 -20.046 3.314 423 HB3 LEU2065 2HB LEU2065 8.155 -19.776 1.586 424 HG LEU2065 HG LEU2065 10.280 -20.057 2.539 425 HD11 LEU2065 1HD1 LEU2065 11.228 -18.312 1.537 426 HD12 LEU2065 2HD1 LEU2065 9.587 -17.651 1.335 427 HD13 LEU2065 3HD1 LEU2065 10.572 -17.168 2.735 428 HD21 LEU2065 3HD2 LEU2065 11.069 -19.189 4.573 429 HD22 LEU2065 1HD2 LEU2065 9.755 -17.990 4.674 430 HD23 LEU2065 2HD2 LEU2065 9.404 -19.718 4.914 431 H LYS2066 H LYS2066 5.123 -18.537 1.515 432 HA LYS2066 HA LYS2066 5.876 -17.744 -1.100 433 HB2 LYS2066 1HB LYS2066 4.183 -19.481 -0.507 434 HB3 LYS2066 2HB LYS2066 3.089 -18.183 0.007 435 HG2 LYS2066 1HG LYS2066 2.400 -18.350 -2.176 436 HG3 LYS2066 2HG LYS2066 3.755 -17.242 -2.448 437 HD2 LYS2066 1HD LYS2066 4.084 -18.938 -4.053 438 HD3 LYS2066 2HD LYS2066 5.187 -19.406 -2.748 439 HE2 LYS2066 1HE LYS2066 2.732 -20.603 -2.073 440 HE3 LYS2066 2HE LYS2066 2.847 -20.818 -3.826 441 HZ1 LYS2066 2HZ LYS2066 4.309 -22.450 -3.411 442 HZ3 LYS2066 1HZ LYS2066 4.276 -22.173 -1.808 443 H GLU2067 H GLU2067 3.803 -16.270 1.486 444 HA GLU2067 HA GLU2067 3.324 -13.966 -0.035 445 HB2 GLU2067 1HB GLU2067 3.061 -14.570 2.930 446 HB3 GLU2067 2HB GLU2067 2.532 -13.041 2.210 447 HG2 GLU2067 1HG GLU2067 1.590 -15.581 0.923 448 HG3 GLU2067 2HG GLU2067 0.888 -15.173 2.496 449 HE2 GLU2067 HE GLU2067 0.038 -12.990 -0.741 450 H THR2068 H THR2068 5.992 -15.072 1.948 451 HA THR2068 HA THR2068 7.037 -12.661 2.844 452 HB THR2068 HB THR2068 8.157 -15.394 2.111 453 HG1 THR2068 1HG THR2068 8.101 -15.463 4.401 454 HG21 THR2068 3HG2 THR2068 9.948 -13.550 1.785 455 HG22 THR2068 1HG2 THR2068 9.715 -13.166 3.507 456 HG23 THR2068 2HG2 THR2068 10.312 -14.773 3.026 457 H SER2069 H SER2069 7.335 -14.278 -0.353 458 HA SER2069 HA SER2069 9.262 -12.522 -1.314 459 HB2 SER2069 1HB SER2069 7.338 -14.494 -2.474 460 HB3 SER2069 2HB SER2069 8.031 -13.309 -3.596 461 HG SER2069 HG SER2069 9.149 -15.547 -2.945 462 H PHE2070 H PHE2070 5.645 -12.596 -1.644 463 HA PHE2070 HA PHE2070 5.416 -10.338 -3.229 464 HB2 PHE2070 1HB PHE2070 3.463 -11.644 -2.970 465 HB3 PHE2070 2HB PHE2070 3.764 -11.930 -1.252 466 HD1 PHE2070 2HD PHE2070 3.448 -8.747 -3.171 467 HD2 PHE2070 1HD PHE2070 1.850 -11.251 -0.141 468 HE1 PHE2070 2HE PHE2070 1.761 -6.977 -2.597 469 HE2 PHE2070 1HE PHE2070 0.163 -9.482 0.433 470 HZ PHE2070 HZ PHE2070 0.140 -7.365 -0.802 471 H ASN2071 H ASN2071 5.509 -10.704 0.364 472 HA ASN2071 HA ASN2071 4.944 -8.012 0.848 473 HB2 ASN2071 1HB ASN2071 4.764 -9.978 2.483 474 HB3 ASN2071 2HB ASN2071 6.525 -9.916 2.647 475 HD21 ASN2071 1HD2 ASN2071 7.164 -8.907 4.377 476 HD22 ASN2071 2HD2 ASN2071 6.429 -7.531 5.130 477 H GLN2072 H GLN2072 7.858 -9.915 0.108 478 HA GLN2072 HA GLN2072 9.659 -7.917 1.019 479 HB2 GLN2072 1HB GLN2072 9.845 -10.570 -0.351 480 HB3 GLN2072 2HB GLN2072 11.229 -9.477 -0.524 481 HG2 GLN2072 1HG GLN2072 10.390 -9.437 2.223 482 HG3 GLN2072 2HG GLN2072 10.505 -11.132 1.725 483 HE21 GLN2072 1HE2 GLN2072 12.171 -8.077 2.090 484 HE22 GLN2072 2HE2 GLN2072 13.797 -8.673 2.037 485 H ALA2073 H ALA2073 8.664 -9.197 -2.238 486 HA ALA2073 HA ALA2073 10.129 -7.493 -3.798 487 HB1 ALA2073 3HB ALA2073 8.138 -7.830 -5.422 488 HB2 ALA2073 1HB ALA2073 8.982 -9.282 -4.837 489 HB3 ALA2073 2HB ALA2073 7.420 -8.813 -4.124 490 H TYR2074 H TYR2074 7.160 -6.883 -1.920 491 HA TYR2074 HA TYR2074 6.953 -4.217 -3.091 492 HB2 TYR2074 1HB TYR2074 5.341 -6.016 -1.199 493 HB3 TYR2074 2HB TYR2074 4.873 -4.335 -1.470 494 HD1 TYR2074 1HD TYR2074 6.234 -6.615 -4.067 495 HD2 TYR2074 2HD TYR2074 2.743 -4.726 -2.475 496 HE1 TYR2074 1HE TYR2074 4.906 -7.326 -6.116 497 HE2 TYR2074 2HE TYR2074 1.426 -5.442 -4.528 498 HH TYR2074 HH TYR2074 2.156 -7.756 -6.417 499 H GLY2075 H GLY2075 8.092 -5.929 -0.230 500 HA2 GLY2075 2HA GLY2075 7.857 -4.187 1.820 501 HA3 GLY2075 3HA GLY2075 9.292 -5.149 1.520 502 H ARG2076 H ARG2076 10.208 -3.972 -0.928 503 HA ARG2076 HA ARG2076 11.489 -1.730 0.162 504 HB2 ARG2076 1HB ARG2076 11.937 -3.519 -1.944 505 HB3 ARG2076 2HB ARG2076 11.658 -1.980 -2.778 506 HG2 ARG2076 1HG ARG2076 13.796 -2.714 -0.770 507 HG3 ARG2076 2HG ARG2076 13.989 -1.967 -2.366 508 HD2 ARG2076 1HD ARG2076 12.508 -0.044 -1.175 509 HD3 ARG2076 2HD ARG2076 13.275 -0.718 0.273 510 HE ARG2076 HE ARG2076 15.412 -0.423 -1.401 511 HH11 ARG2076 2HH2 ARG2076 12.802 1.816 -0.545 512 HH12 ARG2076 1HH2 ARG2076 13.775 3.232 -0.772 513 H ASP2077 H ASP2077 8.967 -2.249 -2.385 514 HA ASP2077 HA ASP2077 8.790 0.304 -3.302 515 HB2 ASP2077 1HB ASP2077 6.624 -1.789 -2.858 516 HB3 ASP2077 2HB ASP2077 6.352 -0.308 -3.789 517 HD2 ASP2077 HD ASP2077 7.079 -2.353 -6.458 518 H LEU2078 H LEU2078 6.973 -1.329 -0.599 519 HA LEU2078 HA LEU2078 5.426 0.853 0.138 520 HB2 LEU2078 1HB LEU2078 6.463 -1.494 1.711 521 HB3 LEU2078 2HB LEU2078 5.258 -0.347 2.323 522 HG LEU2078 HG LEU2078 5.005 -2.360 0.090 523 HD11 LEU2078 1HD1 LEU2078 4.363 -2.424 2.805 524 HD12 LEU2078 2HD1 LEU2078 2.811 -2.153 1.978 525 HD13 LEU2078 3HD1 LEU2078 3.817 -3.554 1.542 526 HD21 LEU2078 3HD2 LEU2078 3.935 -0.676 -1.013 527 HD22 LEU2078 1HD2 LEU2078 2.589 -1.270 -0.011 528 HD23 LEU2078 2HD2 LEU2078 3.492 0.183 0.482 529 H MET2079 H MET2079 8.818 0.002 0.824 530 HA MET2079 HA MET2079 9.126 1.805 2.936 531 HB2 MET2079 1HB MET2079 10.700 -0.051 1.362 532 HB3 MET2079 2HB MET2079 11.605 1.467 1.492 533 HG2 MET2079 1HG MET2079 10.863 1.255 4.063 534 HG3 MET2079 2HG MET2079 10.754 -0.459 3.653 535 HE1 MET2079 3HE MET2079 12.761 2.621 2.793 536 HE2 MET2079 1HE MET2079 13.345 2.505 4.470 537 HE3 MET2079 2HE MET2079 14.459 2.195 3.117 538 H GLU2080 H GLU2080 9.697 2.036 -0.625 539 HA GLU2080 HA GLU2080 10.886 4.526 -0.576 540 HB2 GLU2080 1HB GLU2080 10.917 3.024 -2.521 541 HB3 GLU2080 2HB GLU2080 9.174 3.242 -2.748 542 HG2 GLU2080 1HG GLU2080 9.418 5.410 -3.550 543 HG3 GLU2080 2HG GLU2080 10.915 5.700 -2.653 544 HE2 GLU2080 HE GLU2080 12.507 5.253 -5.660 545 H ALA2081 H ALA2081 7.427 3.656 -1.309 546 HA ALA2081 HA ALA2081 6.472 6.228 -1.522 547 HB1 ALA2081 3HB ALA2081 4.273 5.184 -1.004 548 HB2 ALA2081 1HB ALA2081 5.217 4.225 -2.167 549 HB3 ALA2081 2HB ALA2081 5.118 3.713 -0.466 550 H GLN2082 H GLN2082 7.017 4.174 1.386 551 HA GLN2082 HA GLN2082 5.729 5.798 3.189 552 HB2 GLN2082 1HB GLN2082 6.482 3.531 3.712 553 HB3 GLN2082 2HB GLN2082 8.179 4.022 3.577 554 HG2 GLN2082 1HG GLN2082 8.098 4.454 5.793 555 HG3 GLN2082 2HG GLN2082 7.083 5.852 5.404 556 HE21 GLN2082 1HE2 GLN2082 6.760 4.818 7.804 557 HE22 GLN2082 2HE2 GLN2082 5.301 3.899 7.957 558 H GLU2083 H GLU2083 9.050 5.947 1.824 559 HA GLU2083 HA GLU2083 9.969 7.899 3.593 560 HB2 GLU2083 1HB GLU2083 11.876 7.360 2.552 561 HB3 GLU2083 2HB GLU2083 10.970 6.410 1.363 562 HG2 GLU2083 1HG GLU2083 10.665 8.399 -0.036 563 HG3 GLU2083 2HG GLU2083 11.443 9.423 1.181 564 HE2 GLU2083 HE GLU2083 13.694 8.001 -1.528 565 H TRP2084 H TRP2084 8.183 8.005 0.493 566 HA TRP2084 HA TRP2084 8.526 10.803 0.123 567 HB2 TRP2084 1HB TRP2084 6.585 8.821 -1.064 568 HB3 TRP2084 2HB TRP2084 6.731 10.504 -1.573 569 HD1 TRP2084 HD TRP2084 8.281 7.113 -2.147 570 HE1 TRP2084 1HE TRP2084 10.300 7.202 -3.846 571 HE3 TRP2084 3HE TRP2084 8.694 12.181 -2.203 572 HZ2 TRP2084 2HZ TRP2084 11.810 9.336 -4.994 573 HZ3 TRP2084 3HZ TRP2084 10.466 13.185 -3.640 574 HH2 TRP2084 HH TRP2084 11.992 11.850 -5.004 575 H CYS2085 H CYS2085 6.484 8.697 2.062 576 HA CYS2085 HA CYS2085 4.334 10.506 2.349 577 HB2 CYS2085 1HB CYS2085 3.783 8.291 2.772 578 HB3 CYS2085 2HB CYS2085 5.204 8.009 3.797 579 HG CYS2085 HG CYS2085 4.484 9.422 5.792 580 H ARG2086 H ARG2086 7.045 9.460 4.551 581 HA ARG2086 HA ARG2086 6.507 11.452 6.414 582 HB2 ARG2086 1HB ARG2086 8.584 10.768 7.464 583 HB3 ARG2086 2HB ARG2086 7.824 9.308 6.807 584 HG2 ARG2086 1HG ARG2086 9.358 10.202 4.679 585 HG3 ARG2086 2HG ARG2086 10.374 10.626 6.069 586 HD2 ARG2086 1HD ARG2086 9.211 7.880 5.424 587 HD3 ARG2086 2HD ARG2086 10.913 8.349 5.283 588 HE ARG2086 HE ARG2086 9.931 8.833 7.958 589 HH11 ARG2086 2HH2 ARG2086 10.985 6.214 5.817 590 HH12 ARG2086 1HH2 ARG2086 11.476 5.181 7.118 591 H LYS2087 H LYS2087 8.350 11.347 3.398 592 HA LYS2087 HA LYS2087 9.975 13.609 3.953 593 HB2 LYS2087 1HB LYS2087 10.766 12.024 2.389 594 HB3 LYS2087 2HB LYS2087 9.279 12.096 1.429 595 HG2 LYS2087 1HG LYS2087 10.603 14.714 1.814 596 HG3 LYS2087 2HG LYS2087 11.593 13.544 0.925 597 HD2 LYS2087 1HD LYS2087 10.366 13.919 -0.924 598 HD3 LYS2087 2HD LYS2087 8.902 13.379 -0.082 599 HE2 LYS2087 1HE LYS2087 8.145 15.499 -0.255 600 HE3 LYS2087 2HE LYS2087 9.387 15.977 0.911 601 HZ1 LYS2087 2HZ LYS2087 10.873 16.055 -1.203 602 HZ3 LYS2087 1HZ LYS2087 9.852 17.294 -0.935 603 H TYR2088 H TYR2088 6.751 13.036 2.506 604 HA TYR2088 HA TYR2088 6.498 15.758 1.638 605 HB2 TYR2088 1HB TYR2088 5.273 14.103 0.409 606 HB3 TYR2088 2HB TYR2088 4.859 13.198 1.868 607 HD1 TYR2088 1HD TYR2088 4.069 16.246 -0.109 608 HD2 TYR2088 2HD TYR2088 2.817 13.620 3.028 609 HE1 TYR2088 1HE TYR2088 1.782 17.356 -0.082 610 HE2 TYR2088 2HE TYR2088 0.536 14.738 3.045 611 HH TYR2088 HH TYR2088 -0.385 16.991 0.574 612 H MET2089 H MET2089 5.235 13.717 4.345 613 HA MET2089 HA MET2089 3.568 15.665 5.384 614 HB2 MET2089 1HB MET2089 5.027 13.244 6.514 615 HB3 MET2089 2HB MET2089 4.004 14.236 7.569 616 HG2 MET2089 1HG MET2089 2.235 13.889 5.595 617 HG3 MET2089 2HG MET2089 3.230 12.471 5.242 618 HE1 MET2089 3HE MET2089 -0.214 12.004 7.266 619 HE2 MET2089 1HE MET2089 0.228 13.619 7.867 620 HE3 MET2089 2HE MET2089 0.345 13.255 6.129 621 H LYS2090 H LYS2090 7.059 14.981 5.872 622 HA LYS2090 HA LYS2090 7.390 16.685 8.080 623 HB2 LYS2090 1HB LYS2090 8.963 14.940 7.600 624 HB3 LYS2090 2HB LYS2090 9.346 15.638 6.017 625 HG2 LYS2090 1HG LYS2090 10.936 16.095 8.047 626 HG3 LYS2090 2HG LYS2090 10.529 17.442 6.970 627 HD2 LYS2090 1HD LYS2090 8.732 18.125 8.554 628 HD3 LYS2090 2HD LYS2090 9.183 16.799 9.637 629 HE2 LYS2090 1HE LYS2090 10.990 19.101 8.778 630 HE3 LYS2090 2HE LYS2090 10.185 18.970 10.349 631 HZ1 LYS2090 2HZ LYS2090 11.580 16.596 9.934 632 HZ3 LYS2090 1HZ LYS2090 11.940 17.762 11.011 633 H SER2091 H SER2091 8.193 17.170 4.565 634 HA SER2091 HA SER2091 7.104 19.706 4.504 635 HB2 SER2091 1HB SER2091 9.556 19.705 5.858 636 HB3 SER2091 2HB SER2091 9.974 20.262 4.227 637 HG SER2091 HG SER2091 8.772 21.631 6.249 638 H GLY2092 H GLY2092 6.381 18.460 2.582 639 HA2 GLY2092 2HA GLY2092 8.371 18.619 0.404 640 HA3 GLY2092 3HA GLY2092 7.370 17.198 0.625 641 H ASN2093 H ASN2093 6.107 17.307 -1.244 642 HA ASN2093 HA ASN2093 4.157 19.422 -1.203 643 HB2 ASN2093 1HB ASN2093 6.310 19.714 -2.888 644 HB3 ASN2093 2HB ASN2093 5.215 18.803 -3.937 645 HD21 ASN2093 1HD2 ASN2093 6.137 21.507 -4.228 646 HD22 ASN2093 2HD2 ASN2093 4.759 22.555 -4.205 647 H VAL2094 H VAL2094 2.257 18.823 -2.668 648 HA VAL2094 HA VAL2094 1.395 16.274 -2.330 649 HB VAL2094 HB VAL2094 0.338 18.530 -3.271 650 HG11 VAL2094 1HG1 VAL2094 -0.345 18.220 -5.641 651 HG12 VAL2094 2HG1 VAL2094 1.409 18.458 -5.449 652 HG13 VAL2094 3HG1 VAL2094 0.759 16.829 -5.754 653 HG21 VAL2094 3HG2 VAL2094 -0.981 16.006 -4.216 654 HG22 VAL2094 1HG2 VAL2094 -0.673 16.222 -2.476 655 HG23 VAL2094 2HG2 VAL2094 -1.670 17.404 -3.358 656 H LYS2095 H LYS2095 3.497 17.587 -4.908 657 HA LYS2095 HA LYS2095 3.338 15.585 -6.756 658 HB2 LYS2095 1HB LYS2095 4.886 17.829 -6.324 659 HB3 LYS2095 2HB LYS2095 6.078 16.515 -6.312 660 HG2 LYS2095 1HG LYS2095 4.926 15.676 -8.457 661 HG3 LYS2095 2HG LYS2095 4.091 17.239 -8.503 662 HD2 LYS2095 1HD LYS2095 5.941 17.754 -9.785 663 HD3 LYS2095 2HD LYS2095 6.598 18.159 -8.191 664 HE2 LYS2095 1HE LYS2095 7.693 15.981 -8.044 665 HE3 LYS2095 2HE LYS2095 6.919 15.437 -9.539 666 HZ1 LYS2095 2HZ LYS2095 8.998 17.524 -9.243 667 HZ3 LYS2095 1HZ LYS2095 8.121 17.391 -10.609 668 H ASP2096 H ASP2096 5.356 15.702 -3.753 669 HA ASP2096 HA ASP2096 6.558 13.242 -4.223 670 HB2 ASP2096 1HB ASP2096 5.962 14.655 -1.589 671 HB3 ASP2096 2HB ASP2096 7.124 13.335 -1.786 672 HD2 ASP2096 HD ASP2096 8.149 17.064 -2.553 673 H LEU2097 H LEU2097 3.569 14.320 -2.520 674 HA LEU2097 HA LEU2097 2.973 11.885 -1.277 675 HB2 LEU2097 1HB LEU2097 1.972 13.834 -0.477 676 HB3 LEU2097 2HB LEU2097 1.344 14.286 -2.073 677 HG LEU2097 HG LEU2097 -0.369 12.672 -1.967 678 HD11 LEU2097 1HD1 LEU2097 0.310 10.648 -1.262 679 HD12 LEU2097 2HD1 LEU2097 1.429 11.320 -0.053 680 HD13 LEU2097 3HD1 LEU2097 -0.310 11.201 0.311 681 HD21 LEU2097 3HD2 LEU2097 -0.110 14.635 0.014 682 HD22 LEU2097 1HD2 LEU2097 -1.603 13.836 -0.537 683 HD23 LEU2097 2HD2 LEU2097 -0.710 13.186 0.859 684 H THR2098 H THR2098 2.040 13.288 -4.476 685 HA THR2098 HA THR2098 0.355 11.189 -5.237 686 HB THR2098 HB THR2098 2.024 13.257 -6.745 687 HG1 THR2098 1HG THR2098 -0.049 14.267 -6.699 688 HG21 THR2098 3HG2 THR2098 1.588 11.592 -8.437 689 HG22 THR2098 1HG2 THR2098 -0.006 11.210 -7.745 690 HG23 THR2098 2HG2 THR2098 0.253 12.760 -8.583 691 H GLN2099 H GLN2099 3.909 11.632 -5.582 692 HA GLN2099 HA GLN2099 4.330 9.480 -7.232 693 HB2 GLN2099 1HB GLN2099 5.881 11.352 -5.779 694 HB3 GLN2099 2HB GLN2099 6.499 9.755 -5.315 695 HG2 GLN2099 1HG GLN2099 6.987 9.184 -7.581 696 HG3 GLN2099 2HG GLN2099 6.012 10.515 -8.221 697 HE21 GLN2099 1HE2 GLN2099 9.002 9.528 -8.074 698 HE22 GLN2099 2HE2 GLN2099 9.896 10.995 -7.847 699 H ALA2100 H ALA2100 4.326 9.661 -3.608 700 HA ALA2100 HA ALA2100 4.986 7.010 -3.139 701 HB1 ALA2100 3HB ALA2100 4.668 7.609 -0.969 702 HB2 ALA2100 1HB ALA2100 4.492 9.249 -1.639 703 HB3 ALA2100 2HB ALA2100 3.048 8.274 -1.284 704 H TRP2101 H TRP2101 1.800 8.606 -3.726 705 HA TRP2101 HA TRP2101 0.242 6.335 -3.229 706 HB2 TRP2101 1HB TRP2101 -0.113 9.023 -4.148 707 HB3 TRP2101 2HB TRP2101 -1.027 7.929 -5.188 708 HD1 TRP2101 HD TRP2101 -1.289 9.674 -1.907 709 HE1 TRP2101 1HE TRP2101 -3.359 8.883 -0.473 710 HE3 TRP2101 3HE TRP2101 -2.317 5.551 -4.699 711 HZ2 TRP2101 2HZ TRP2101 -5.152 6.672 -0.662 712 HZ3 TRP2101 3HZ TRP2101 -4.244 4.130 -4.007 713 HH2 TRP2101 HH TRP2101 -5.639 4.634 -2.064 714 H ASP2102 H ASP2102 2.143 7.495 -6.020 715 HA ASP2102 HA ASP2102 0.988 5.901 -7.947 716 HB2 ASP2102 1HB ASP2102 3.184 7.674 -7.708 717 HB3 ASP2102 2HB ASP2102 3.877 6.162 -8.313 718 HD2 ASP2102 HD ASP2102 1.721 8.500 -10.669 719 H LEU2103 H LEU2103 3.897 5.422 -5.812 720 HA LEU2103 HA LEU2103 4.652 2.940 -6.755 721 HB2 LEU2103 1HB LEU2103 4.956 4.367 -4.142 722 HB3 LEU2103 2HB LEU2103 5.573 2.719 -4.351 723 HG LEU2103 HG LEU2103 6.810 3.705 -6.409 724 HD11 LEU2103 1HD1 LEU2103 6.186 6.244 -4.878 725 HD12 LEU2103 2HD1 LEU2103 7.401 6.095 -6.172 726 HD13 LEU2103 3HD1 LEU2103 5.678 5.837 -6.535 727 HD21 LEU2103 3HD2 LEU2103 7.896 2.878 -4.367 728 HD22 LEU2103 1HD2 LEU2103 8.724 4.306 -5.032 729 HD23 LEU2103 2HD2 LEU2103 7.671 4.473 -3.606 730 H TYR2104 H TYR2104 2.443 3.764 -3.995 731 HA TYR2104 HA TYR2104 1.825 1.159 -3.296 732 HB2 TYR2104 1HB TYR2104 0.276 3.813 -3.336 733 HB3 TYR2104 2HB TYR2104 -0.312 2.397 -2.460 734 HD1 TYR2104 2HD TYR2104 2.370 1.436 -1.383 735 HD2 TYR2104 1HD TYR2104 0.594 5.327 -1.546 736 HE1 TYR2104 2HE TYR2104 3.728 2.150 0.644 737 HE2 TYR2104 1HE TYR2104 1.960 6.025 0.481 738 HH TYR2104 HH TYR2104 3.164 5.245 2.194 739 H TYR2105 H TYR2105 0.214 3.380 -5.663 740 HA TYR2105 HA TYR2105 -1.955 1.858 -6.302 741 HB2 TYR2105 1HB TYR2105 -1.065 4.188 -7.098 742 HB3 TYR2105 2HB TYR2105 -0.077 3.304 -8.266 743 HD1 TYR2105 2HD TYR2105 -2.895 1.359 -8.059 744 HD2 TYR2105 1HD TYR2105 -1.695 5.209 -9.489 745 HE1 TYR2105 2HE TYR2105 -4.844 1.368 -9.692 746 HE2 TYR2105 1HE TYR2105 -3.648 5.205 -11.117 747 HH TYR2105 HH TYR2105 -5.125 2.762 -12.152 748 H HIS2106 H HIS2106 1.381 1.642 -7.709 749 HA HIS2106 HA HIS2106 0.731 -0.373 -9.525 750 HB2 HIS2106 1HB HIS2106 3.372 0.364 -8.247 751 HB3 HIS2106 2HB HIS2106 3.192 -0.720 -9.631 752 HD1 HIS2106 1HD HIS2106 4.897 1.428 -10.446 753 HD2 HIS2106 2HD HIS2106 0.751 2.043 -10.280 754 HE1 HIS2106 1HE HIS2106 4.414 3.447 -11.930 755 HE2 HIS2106 2HE HIS2106 1.847 3.787 -11.791 756 H VAL2107 H VAL2107 1.745 -0.406 -6.089 757 HA VAL2107 HA VAL2107 2.184 -3.199 -5.995 758 HB VAL2107 HB VAL2107 1.980 -0.925 -4.093 759 HG11 VAL2107 1HG1 VAL2107 2.308 -2.814 -2.254 760 HG12 VAL2107 2HG1 VAL2107 0.690 -2.237 -2.719 761 HG13 VAL2107 3HG1 VAL2107 1.318 -3.761 -3.392 762 HG21 VAL2107 3HG2 VAL2107 4.024 -2.822 -3.469 763 HG22 VAL2107 1HG2 VAL2107 4.011 -2.582 -5.234 764 HG23 VAL2107 2HG2 VAL2107 4.193 -1.185 -4.147 765 H PHE2108 H PHE2108 -0.535 -1.088 -4.822 766 HA PHE2108 HA PHE2108 -2.168 -3.234 -4.104 767 HB2 PHE2108 1HB PHE2108 -2.448 -0.288 -4.819 768 HB3 PHE2108 2HB PHE2108 -3.923 -1.229 -4.567 769 HD1 PHE2108 1HD PHE2108 -0.876 0.075 -2.969 770 HD2 PHE2108 2HD PHE2108 -4.582 -1.902 -2.365 771 HE1 PHE2108 1HE PHE2108 -0.669 0.443 -0.494 772 HE2 PHE2108 2HE PHE2108 -4.374 -1.536 0.110 773 HZ PHE2108 HZ PHE2108 -2.421 -0.367 1.016 774 H ARG2109 H ARG2109 -1.516 -1.643 -7.209 775 HA ARG2109 HA ARG2109 -3.861 -2.634 -8.427 776 HB2 ARG2109 1HB ARG2109 -2.783 -0.624 -9.297 777 HB3 ARG2109 2HB ARG2109 -1.265 -1.494 -9.575 778 HG2 ARG2109 1HG ARG2109 -2.700 -3.037 -11.114 779 HG3 ARG2109 2HG ARG2109 -3.901 -1.735 -11.064 780 HD2 ARG2109 1HD ARG2109 -1.591 -0.333 -11.605 781 HD3 ARG2109 2HD ARG2109 -1.269 -1.856 -12.449 782 HE ARG2109 HE ARG2109 -3.947 -0.902 -12.993 783 HH11 ARG2109 2HH2 ARG2109 -0.557 -0.359 -13.867 784 HH12 ARG2109 1HH2 ARG2109 -0.934 0.295 -15.427 785 H ARG2110 H ARG2110 -0.533 -3.758 -7.894 786 HA ARG2110 HA ARG2110 -0.586 -5.712 -9.910 787 HB2 ARG2110 1HB ARG2110 1.137 -5.164 -7.478 788 HB3 ARG2110 2HB ARG2110 1.367 -6.665 -8.394 789 HG2 ARG2110 1HG ARG2110 1.226 -4.089 -9.927 790 HG3 ARG2110 2HG ARG2110 2.699 -4.395 -8.988 791 HD2 ARG2110 1HD ARG2110 3.221 -6.339 -10.235 792 HD3 ARG2110 2HD ARG2110 1.570 -6.514 -10.850 793 HE ARG2110 HE ARG2110 3.691 -4.939 -12.018 794 HH11 ARG2110 2HH2 ARG2110 0.183 -4.931 -11.517 795 HH12 ARG2110 1HH2 ARG2110 -0.137 -3.936 -12.898 796 H ILE2111 H ILE2111 -0.989 -5.776 -6.296 797 HA ILE2111 HA ILE2111 -1.291 -8.415 -5.853 798 HB ILE2111 HB ILE2111 -2.962 -7.688 -4.069 799 HG12 ILE2111 1HG1 ILE2111 -2.202 -4.943 -5.089 800 HG13 ILE2111 2HG1 ILE2111 -3.799 -5.692 -5.276 801 HG21 ILE2111 1HG2 ILE2111 -0.191 -7.548 -4.248 802 HG22 ILE2111 2HG2 ILE2111 -0.666 -5.975 -3.561 803 HG23 ILE2111 3HG2 ILE2111 -1.172 -7.484 -2.765 804 HD11 ILE2111 3HD1 ILE2111 -2.423 -4.694 -2.774 805 HD12 ILE2111 1HD1 ILE2111 -4.083 -4.392 -3.340 806 HD13 ILE2111 2HD1 ILE2111 -3.652 -5.975 -2.650 807 H SER2112 H SER2112 -3.509 -6.244 -7.579 808 HA SER2112 HA SER2112 -5.576 -8.223 -7.574 809 HB2 SER2112 1HB SER2112 -5.244 -5.416 -8.564 810 HB3 SER2112 2HB SER2112 -6.480 -6.411 -9.354 811 HG SER2112 HG SER2112 -6.412 -6.424 -6.512 812 H LYS2113 H LYS2113 -3.445 -6.577 -10.021 813 HA LYS2113 HA LYS2113 -4.194 -7.809 -12.283 814 HB2 LYS2113 1HB LYS2113 -1.865 -6.465 -11.295 815 HB3 LYS2113 2HB LYS2113 -1.359 -7.813 -12.327 816 HG2 LYS2113 1HG LYS2113 -3.625 -6.073 -13.259 817 HG3 LYS2113 2HG LYS2113 -1.985 -5.404 -13.341 818 HD2 LYS2113 1HD LYS2113 -1.356 -7.623 -14.526 819 HD3 LYS2113 2HD LYS2113 -3.099 -7.875 -14.721 820 HE2 LYS2113 1HE LYS2113 -2.456 -5.173 -15.496 821 HE3 LYS2113 2HE LYS2113 -1.335 -6.266 -16.322 822 HZ1 LYS2113 2HZ LYS2113 -3.049 -6.600 -17.727 823 HZ3 LYS2113 1HZ LYS2113 -4.152 -5.917 -16.742 824 H GLN2114 H GLN2114 -4.321 -9.844 -13.088 825 HA GLN2114 HA GLN2114 -2.748 -11.858 -11.682 826 HB2 GLN2114 1HB GLN2114 -5.169 -11.914 -11.033 827 HB3 GLN2114 2HB GLN2114 -5.588 -12.241 -12.725 828 HG2 GLN2114 1HG GLN2114 -5.433 -14.419 -12.054 829 HG3 GLN2114 2HG GLN2114 -3.699 -14.176 -12.309 830 HE21 GLN2114 1HE2 GLN2114 -3.209 -15.745 -10.782 831 HE22 GLN2114 2HE2 GLN2114 -3.342 -15.476 -9.075 Start of MODEL 20 1 H MET2014 H MET2014 1.132 -19.345 -11.511 2 HA MET2014 HA MET2014 -1.513 -18.589 -12.426 3 HB2 MET2014 1HB MET2014 -1.709 -20.914 -13.468 4 HB3 MET2014 2HB MET2014 -0.580 -19.843 -14.314 5 HG2 MET2014 1HG MET2014 1.302 -20.901 -13.002 6 HG3 MET2014 2HG MET2014 0.139 -22.030 -12.303 7 HE1 MET2014 3HE MET2014 2.768 -23.123 -15.014 8 HE2 MET2014 1HE MET2014 2.420 -22.941 -13.279 9 HE3 MET2014 2HE MET2014 1.841 -24.377 -14.156 10 H GLU2015 H GLU2015 -1.155 -18.427 -9.841 11 HA GLU2015 HA GLU2015 -1.096 -20.815 -8.420 12 HB2 GLU2015 1HB GLU2015 -0.895 -18.210 -7.759 13 HB3 GLU2015 2HB GLU2015 -2.580 -18.472 -7.278 14 HG2 GLU2015 1HG GLU2015 -1.251 -20.720 -6.286 15 HG3 GLU2015 2HG GLU2015 -0.086 -19.416 -6.019 16 HE2 GLU2015 HE GLU2015 -1.905 -19.009 -3.097 17 H LEU2016 H LEU2016 -3.495 -19.508 -10.475 18 HA LEU2016 HA LEU2016 -5.485 -20.336 -11.034 19 HB2 LEU2016 1HB LEU2016 -4.425 -22.422 -9.584 20 HB3 LEU2016 2HB LEU2016 -5.979 -22.125 -8.785 21 HG LEU2016 HG LEU2016 -6.159 -22.195 -11.712 22 HD11 LEU2016 1HD1 LEU2016 -5.501 -24.819 -10.373 23 HD12 LEU2016 2HD1 LEU2016 -5.677 -24.462 -12.109 24 HD13 LEU2016 3HD1 LEU2016 -4.275 -23.835 -11.208 25 HD21 LEU2016 3HD2 LEU2016 -7.964 -23.894 -11.072 26 HD22 LEU2016 1HD2 LEU2016 -7.604 -23.456 -9.384 27 HD23 LEU2016 2HD2 LEU2016 -8.177 -22.215 -10.523 28 H ILE2017 H ILE2017 -7.598 -21.119 -9.052 29 HA ILE2017 HA ILE2017 -8.840 -18.788 -8.663 30 HB ILE2017 HB ILE2017 -9.331 -21.350 -8.017 31 HG12 ILE2017 1HG1 ILE2017 -10.783 -19.140 -8.349 32 HG13 ILE2017 2HG1 ILE2017 -11.472 -20.654 -7.736 33 HG21 ILE2017 1HG2 ILE2017 -8.040 -21.351 -5.975 34 HG22 ILE2017 2HG2 ILE2017 -8.926 -19.930 -5.371 35 HG23 ILE2017 3HG2 ILE2017 -9.772 -21.481 -5.586 36 HD11 ILE2017 3HD1 ILE2017 -10.325 -18.515 -5.898 37 HD12 ILE2017 1HD1 ILE2017 -12.025 -18.507 -6.422 38 HD13 ILE2017 2HD1 ILE2017 -11.395 -19.871 -5.469 39 H ARG2018 H ARG2018 -9.145 -17.302 -6.849 40 HA ARG2018 HA ARG2018 -6.645 -17.032 -5.388 41 HB2 ARG2018 1HB ARG2018 -8.135 -15.190 -6.965 42 HB3 ARG2018 2HB ARG2018 -8.329 -14.649 -5.289 43 HG2 ARG2018 1HG ARG2018 -5.627 -15.286 -5.432 44 HG3 ARG2018 2HG ARG2018 -5.943 -14.602 -7.036 45 HD2 ARG2018 1HD ARG2018 -6.599 -13.292 -4.359 46 HD3 ARG2018 2HD ARG2018 -5.256 -12.840 -5.422 47 HE ARG2018 HE ARG2018 -6.847 -11.950 -7.006 48 HH11 ARG2018 2HH2 ARG2018 -8.379 -13.153 -4.045 49 HH12 ARG2018 1HH2 ARG2018 -9.864 -12.305 -4.322 50 H VAL2019 H VAL2019 -7.656 -15.053 -3.498 51 HA VAL2019 HA VAL2019 -9.794 -16.481 -2.115 52 HB VAL2019 HB VAL2019 -6.977 -16.130 -1.227 53 HG11 VAL2019 1HG1 VAL2019 -9.353 -15.942 0.650 54 HG12 VAL2019 2HG1 VAL2019 -7.677 -16.248 1.162 55 HG13 VAL2019 3HG1 VAL2019 -8.101 -14.709 0.375 56 HG21 VAL2019 3HG2 VAL2019 -9.114 -18.217 -0.680 57 HG22 VAL2019 1HG2 VAL2019 -7.803 -18.336 -1.877 58 HG23 VAL2019 2HG2 VAL2019 -7.421 -18.299 -0.137 59 HA PRO2020 HA PRO2020 -10.984 -12.316 -1.706 60 HB2 PRO2020 1HB PRO2020 -13.332 -12.729 -0.374 61 HB3 PRO2020 2HB PRO2020 -13.188 -12.828 -2.127 62 HG2 PRO2020 1HG PRO2020 -13.387 -14.978 -0.117 63 HG3 PRO2020 2HG PRO2020 -13.723 -15.058 -1.884 64 HD2 PRO2020 1HD PRO2020 -11.446 -16.051 -0.459 65 HD3 PRO2020 2HD PRO2020 -11.657 -16.010 -2.214 66 H ILE2021 H ILE2021 -10.606 -14.491 0.940 67 HA ILE2021 HA ILE2021 -10.266 -12.148 2.678 68 HB ILE2021 HB ILE2021 -10.753 -13.616 4.539 69 HG12 ILE2021 1HG1 ILE2021 -11.873 -15.908 3.457 70 HG13 ILE2021 2HG1 ILE2021 -10.370 -15.710 2.539 71 HG21 ILE2021 1HG2 ILE2021 -12.949 -13.272 4.326 72 HG22 ILE2021 2HG2 ILE2021 -12.555 -12.614 2.720 73 HG23 ILE2021 3HG2 ILE2021 -13.071 -14.310 2.886 74 HD11 ILE2021 3HD1 ILE2021 -9.600 -16.898 4.393 75 HD12 ILE2021 1HD1 ILE2021 -9.355 -15.230 4.961 76 HD13 ILE2021 2HD1 ILE2021 -10.783 -16.152 5.494 77 H LEU2022 H LEU2022 -8.135 -11.588 2.533 78 HA LEU2022 HA LEU2022 -6.232 -13.293 3.696 79 HB2 LEU2022 1HB LEU2022 -4.814 -13.775 1.840 80 HB3 LEU2022 2HB LEU2022 -6.416 -14.483 1.572 81 HG LEU2022 HG LEU2022 -5.083 -12.176 0.174 82 HD11 LEU2022 1HD1 LEU2022 -4.767 -13.725 -1.380 83 HD12 LEU2022 2HD1 LEU2022 -5.697 -14.918 -0.438 84 HD13 LEU2022 3HD1 LEU2022 -6.531 -13.841 -1.584 85 HD21 LEU2022 3HD2 LEU2022 -7.242 -11.288 0.802 86 HD22 LEU2022 1HD2 LEU2022 -7.234 -11.663 -0.937 87 HD23 LEU2022 2HD2 LEU2022 -8.058 -12.751 0.204 88 H TRP2023 H TRP2023 -3.915 -12.136 2.366 89 HA TRP2023 HA TRP2023 -3.842 -9.683 3.748 90 HB2 TRP2023 1HB TRP2023 -2.024 -11.250 2.003 91 HB3 TRP2023 2HB TRP2023 -1.682 -9.530 2.182 92 HD1 TRP2023 HD TRP2023 -3.142 -11.112 5.295 93 HE1 TRP2023 1HE TRP2023 -1.334 -11.449 7.188 94 HE3 TRP2023 3HE TRP2023 0.883 -10.092 2.360 95 HZ2 TRP2023 2HZ TRP2023 1.513 -11.256 7.242 96 HZ3 TRP2023 3HZ TRP2023 3.141 -10.187 3.411 97 HH2 TRP2023 HH TRP2023 3.491 -10.744 5.766 98 H HIS2024 H HIS2024 -3.963 -10.581 0.227 99 HA HIS2024 HA HIS2024 -3.911 -8.108 -0.864 100 HB2 HIS2024 1HB HIS2024 -5.818 -10.210 -1.857 101 HB3 HIS2024 2HB HIS2024 -4.860 -9.057 -2.791 102 HD1 HIS2024 1HD HIS2024 -4.916 -12.330 -2.955 103 HD2 HIS2024 2HD HIS2024 -1.917 -9.883 -1.337 104 HE1 HIS2024 1HE HIS2024 -2.765 -13.701 -3.014 105 HE2 HIS2024 2HE HIS2024 -0.948 -12.149 -2.005 106 H GLU2025 H GLU2025 -6.422 -9.547 1.134 107 HA GLU2025 HA GLU2025 -8.501 -7.885 0.255 108 HB2 GLU2025 1HB GLU2025 -8.755 -10.060 1.493 109 HB3 GLU2025 2HB GLU2025 -8.204 -9.245 2.967 110 HG2 GLU2025 1HG GLU2025 -10.278 -7.660 1.744 111 HG3 GLU2025 2HG GLU2025 -10.851 -9.331 1.852 112 HE2 GLU2025 HE GLU2025 -11.760 -8.414 5.055 113 H MET2026 H MET2026 -5.859 -7.564 2.615 114 HA MET2026 HA MET2026 -7.014 -5.322 3.903 115 HB2 MET2026 1HB MET2026 -5.075 -5.403 5.243 116 HB3 MET2026 2HB MET2026 -5.142 -7.077 4.665 117 HG2 MET2026 1HG MET2026 -2.915 -6.532 4.213 118 HG3 MET2026 2HG MET2026 -3.664 -6.114 2.669 119 HE1 MET2026 3HE MET2026 -1.146 -5.247 4.831 120 HE2 MET2026 1HE MET2026 -0.891 -4.719 3.151 121 HE3 MET2026 2HE MET2026 -0.846 -3.528 4.472 122 H TRP2027 H TRP2027 -4.884 -5.878 1.110 123 HA TRP2027 HA TRP2027 -3.890 -3.232 0.957 124 HB2 TRP2027 1HB TRP2027 -4.102 -5.421 -1.111 125 HB3 TRP2027 2HB TRP2027 -3.227 -3.905 -1.335 126 HD1 TRP2027 HD TRP2027 -3.081 -7.050 0.970 127 HE1 TRP2027 1HE TRP2027 -0.605 -7.508 1.759 128 HE3 TRP2027 3HE TRP2027 -1.078 -2.885 -1.151 129 HZ2 TRP2027 2HZ TRP2027 1.858 -6.107 1.416 130 HZ3 TRP2027 3HZ TRP2027 1.369 -2.505 -0.877 131 HH2 TRP2027 HH TRP2027 2.826 -4.033 0.354 132 H HIS2028 H HIS2028 -6.548 -5.073 -0.699 133 HA HIS2028 HA HIS2028 -7.424 -2.930 -2.240 134 HB2 HIS2028 1HB HIS2028 -8.350 -4.783 -3.072 135 HB3 HIS2028 2HB HIS2028 -8.354 -5.619 -1.514 136 HD1 HIS2028 1HD HIS2028 -10.525 -3.794 -3.892 137 HD2 HIS2028 2HD HIS2028 -10.689 -5.008 0.120 138 HE1 HIS2028 1HE HIS2028 -12.971 -3.610 -3.189 139 HE2 HIS2028 2HE HIS2028 -13.018 -4.367 -0.710 140 H GLU2029 H GLU2029 -8.796 -4.269 0.854 141 HA GLU2029 HA GLU2029 -10.609 -2.188 1.148 142 HB2 GLU2029 1HB GLU2029 -11.031 -3.085 3.321 143 HB3 GLU2029 2HB GLU2029 -10.640 -4.469 2.286 144 HG2 GLU2029 1HG GLU2029 -9.216 -4.994 3.992 145 HG3 GLU2029 2HG GLU2029 -8.145 -3.824 3.202 146 HE2 GLU2029 HE GLU2029 -9.851 -2.982 6.706 147 H GLY2030 H GLY2030 -7.188 -2.578 2.071 148 HA2 GLY2030 2HA GLY2030 -6.990 -0.520 3.958 149 HA3 GLY2030 3HA GLY2030 -5.696 -1.157 2.964 150 H LEU2031 H LEU2031 -5.942 -0.453 0.470 151 HA LEU2031 HA LEU2031 -5.612 2.322 0.446 152 HB2 LEU2031 1HB LEU2031 -5.070 0.177 -1.202 153 HB3 LEU2031 2HB LEU2031 -6.230 1.134 -2.138 154 HG LEU2031 HG LEU2031 -4.796 3.027 -2.144 155 HD11 LEU2031 1HD1 LEU2031 -3.830 3.393 -0.129 156 HD12 LEU2031 2HD1 LEU2031 -3.492 1.667 0.154 157 HD13 LEU2031 3HD1 LEU2031 -2.442 2.616 -0.928 158 HD21 LEU2031 3HD2 LEU2031 -3.550 2.174 -3.768 159 HD22 LEU2031 1HD2 LEU2031 -2.531 1.308 -2.593 160 HD23 LEU2031 2HD2 LEU2031 -4.012 0.544 -3.218 161 H GLU2032 H GLU2032 -8.424 0.205 -0.064 162 HA GLU2032 HA GLU2032 -10.037 1.946 -1.418 163 HB2 GLU2032 1HB GLU2032 -10.378 -0.439 0.292 164 HB3 GLU2032 2HB GLU2032 -11.807 0.607 0.237 165 HG2 GLU2032 1HG GLU2032 -11.188 0.572 -2.399 166 HG3 GLU2032 2HG GLU2032 -10.505 -0.996 -1.942 167 HE2 GLU2032 HE GLU2032 -14.184 -1.033 -2.735 168 H GLU2033 H GLU2033 -9.543 1.569 2.151 169 HA GLU2033 HA GLU2033 -11.376 3.638 2.735 170 HB2 GLU2033 1HB GLU2033 -10.475 1.606 4.179 171 HB3 GLU2033 2HB GLU2033 -9.239 2.773 4.679 172 HG2 GLU2033 1HG GLU2033 -10.826 4.204 5.671 173 HG3 GLU2033 2HG GLU2033 -12.174 3.528 4.745 174 HE2 GLU2033 HE GLU2033 -12.876 1.825 7.657 175 H ALA2034 H ALA2034 -7.764 3.344 2.691 176 HA ALA2034 HA ALA2034 -7.194 5.913 3.552 177 HB1 ALA2034 3HB ALA2034 -5.457 4.292 3.478 178 HB2 ALA2034 1HB ALA2034 -5.755 3.933 1.760 179 HB3 ALA2034 2HB ALA2034 -5.032 5.489 2.232 180 H SER2035 H SER2035 -8.103 4.630 0.329 181 HA SER2035 HA SER2035 -7.515 7.073 -0.967 182 HB2 SER2035 1HB SER2035 -7.409 5.110 -2.298 183 HB3 SER2035 2HB SER2035 -9.004 4.550 -1.765 184 HG SER2035 HG SER2035 -9.357 5.395 -3.793 185 H ARG2036 H ARG2036 -10.562 5.335 -0.006 186 HA ARG2036 HA ARG2036 -12.350 7.128 -0.919 187 HB2 ARG2036 1HB ARG2036 -12.809 4.904 0.199 188 HB3 ARG2036 2HB ARG2036 -12.553 5.683 1.769 189 HG2 ARG2036 1HG ARG2036 -14.351 7.405 0.696 190 HG3 ARG2036 2HG ARG2036 -14.842 5.929 -0.151 191 HD2 ARG2036 1HD ARG2036 -15.326 4.798 1.891 192 HD3 ARG2036 2HD ARG2036 -14.424 5.969 2.864 193 HE ARG2036 HE ARG2036 -16.502 7.369 1.519 194 HH11 ARG2036 2HH2 ARG2036 -16.171 4.885 4.024 195 HH12 ARG2036 1HH2 ARG2036 -17.653 5.312 4.816 196 H LEU2037 H LEU2037 -10.525 7.166 2.200 197 HA LEU2037 HA LEU2037 -11.833 9.480 3.182 198 HB2 LEU2037 1HB LEU2037 -10.211 9.416 4.929 199 HB3 LEU2037 2HB LEU2037 -10.814 7.780 4.613 200 HG LEU2037 HG LEU2037 -8.685 7.476 3.205 201 HD11 LEU2037 1HD1 LEU2037 -7.261 9.157 2.974 202 HD12 LEU2037 2HD1 LEU2037 -8.350 10.202 3.920 203 HD13 LEU2037 3HD1 LEU2037 -7.074 9.271 4.740 204 HD21 LEU2037 3HD2 LEU2037 -8.678 7.712 6.217 205 HD22 LEU2037 1HD2 LEU2037 -8.900 6.259 5.216 206 HD23 LEU2037 2HD2 LEU2037 -7.307 7.048 5.293 207 H TYR2038 H TYR2038 -8.672 8.847 1.537 208 HA TYR2038 HA TYR2038 -7.674 11.409 1.623 209 HB2 TYR2038 1HB TYR2038 -6.379 9.510 0.812 210 HB3 TYR2038 2HB TYR2038 -7.626 9.069 -0.361 211 HD1 TYR2038 2HD TYR2038 -5.095 11.703 0.431 212 HD2 TYR2038 1HD TYR2038 -7.470 9.816 -2.586 213 HE1 TYR2038 2HE TYR2038 -3.846 12.992 -1.369 214 HE2 TYR2038 1HE TYR2038 -6.213 11.111 -4.377 215 HH TYR2038 HH TYR2038 -4.098 13.710 -3.568 216 H PHE2039 H PHE2039 -9.895 9.903 -0.813 217 HA PHE2039 HA PHE2039 -10.000 12.302 -2.349 218 HB2 PHE2039 1HB PHE2039 -11.421 9.607 -2.194 219 HB3 PHE2039 2HB PHE2039 -12.041 10.848 -3.288 220 HD1 PHE2039 2HD PHE2039 -10.222 11.878 -4.901 221 HD2 PHE2039 1HD PHE2039 -9.874 8.106 -2.988 222 HE1 PHE2039 2HE PHE2039 -8.569 11.146 -6.643 223 HE2 PHE2039 1HE PHE2039 -8.220 7.376 -4.729 224 HZ PHE2039 HZ PHE2039 -7.588 8.905 -6.537 225 H GLY2040 H GLY2040 -12.216 10.578 -0.058 226 HA2 GLY2040 2HA GLY2040 -14.188 12.689 -0.239 227 HA3 GLY2040 3HA GLY2040 -14.256 11.236 0.737 228 H GLU2041 H GLU2041 -12.653 11.131 2.652 229 HA GLU2041 HA GLU2041 -13.161 13.133 4.376 230 HB2 GLU2041 1HB GLU2041 -12.177 10.829 4.826 231 HB3 GLU2041 2HB GLU2041 -10.587 11.504 4.428 232 HG2 GLU2041 1HG GLU2041 -10.826 11.618 6.818 233 HG3 GLU2041 2HG GLU2041 -11.013 13.272 6.220 234 HE2 GLU2041 HE GLU2041 -13.845 13.313 8.176 235 H ARG2042 H ARG2042 -10.792 13.071 1.777 236 HA ARG2042 HA ARG2042 -9.399 14.535 1.011 237 HB2 ARG2042 1HB ARG2042 -11.305 16.244 2.550 238 HB3 ARG2042 2HB ARG2042 -9.773 17.020 2.111 239 HG2 ARG2042 1HG ARG2042 -11.768 15.688 0.232 240 HG3 ARG2042 2HG ARG2042 -11.425 17.424 0.345 241 HD2 ARG2042 1HD ARG2042 -8.916 16.185 -0.076 242 HD3 ARG2042 2HD ARG2042 -10.028 15.342 -1.169 243 HE ARG2042 HE ARG2042 -10.224 18.287 -1.175 244 HH11 ARG2042 2HH2 ARG2042 -8.788 15.428 -2.697 245 HH12 ARG2042 1HH2 ARG2042 -8.427 16.245 -4.182 246 H ASN2043 H ASN2043 -9.008 13.134 3.759 247 HA ASN2043 HA ASN2043 -6.924 14.928 4.728 248 HB2 ASN2043 1HB ASN2043 -8.993 13.393 6.086 249 HB3 ASN2043 2HB ASN2043 -7.402 12.859 6.647 250 HD21 ASN2043 1HD2 ASN2043 -9.434 14.258 8.113 251 HD22 ASN2043 2HD2 ASN2043 -8.781 15.774 8.638 252 H VAL2044 H VAL2044 -4.863 14.176 4.215 253 HA VAL2044 HA VAL2044 -4.529 11.548 3.164 254 HB VAL2044 HB VAL2044 -2.670 13.835 3.807 255 HG11 VAL2044 1HG1 VAL2044 -1.844 11.376 2.259 256 HG12 VAL2044 2HG1 VAL2044 -0.825 12.663 2.946 257 HG13 VAL2044 3HG1 VAL2044 -1.621 11.490 4.020 258 HG21 VAL2044 3HG2 VAL2044 -3.105 14.557 1.737 259 HG22 VAL2044 1HG2 VAL2044 -2.803 12.945 1.042 260 HG23 VAL2044 2HG2 VAL2044 -4.418 13.357 1.670 261 H LYS2045 H LYS2045 -4.273 13.099 6.320 262 HA LYS2045 HA LYS2045 -2.458 11.482 7.582 263 HB2 LYS2045 1HB LYS2045 -3.693 12.043 9.645 264 HB3 LYS2045 2HB LYS2045 -3.366 13.453 8.623 265 HG2 LYS2045 1HG LYS2045 -5.567 13.914 8.619 266 HG3 LYS2045 2HG LYS2045 -5.879 12.384 7.781 267 HD2 LYS2045 1HD LYS2045 -5.934 11.234 10.005 268 HD3 LYS2045 2HD LYS2045 -5.723 12.802 10.804 269 HE2 LYS2045 1HE LYS2045 -7.869 13.112 8.957 270 HE3 LYS2045 2HE LYS2045 -8.151 11.571 9.778 271 HZ1 LYS2045 2HZ LYS2045 -9.057 13.609 10.926 272 HZ3 LYS2045 1HZ LYS2045 -7.527 14.067 11.251 273 H GLY2046 H GLY2046 -5.846 10.827 6.643 274 HA2 GLY2046 2HA GLY2046 -6.241 8.502 8.157 275 HA3 GLY2046 3HA GLY2046 -7.065 8.940 6.672 276 H MET2047 H MET2047 -5.166 8.926 4.702 277 HA MET2047 HA MET2047 -4.889 6.285 4.122 278 HB2 MET2047 1HB MET2047 -4.697 7.935 2.379 279 HB3 MET2047 2HB MET2047 -3.389 8.790 3.217 280 HG2 MET2047 1HG MET2047 -2.983 5.910 2.400 281 HG3 MET2047 2HG MET2047 -2.875 7.165 1.160 282 HE1 MET2047 3HE MET2047 -1.978 9.409 1.917 283 HE2 MET2047 1HE MET2047 -1.230 9.620 3.518 284 HE3 MET2047 2HE MET2047 -0.204 9.432 2.077 285 H PHE2048 H PHE2048 -2.529 8.520 5.693 286 HA PHE2048 HA PHE2048 -0.414 6.663 5.716 287 HB2 PHE2048 1HB PHE2048 -1.232 9.164 7.280 288 HB3 PHE2048 2HB PHE2048 0.289 8.338 7.643 289 HD1 PHE2048 2HD PHE2048 1.243 7.630 4.958 290 HD2 PHE2048 1HD PHE2048 -0.630 11.181 6.329 291 HE1 PHE2048 2HE PHE2048 2.367 8.927 3.128 292 HE2 PHE2048 1HE PHE2048 0.494 12.480 4.498 293 HZ PHE2048 HZ PHE2048 1.979 11.338 2.920 294 H GLU2049 H GLU2049 -3.097 7.425 7.978 295 HA GLU2049 HA GLU2049 -2.008 5.807 10.031 296 HB2 GLU2049 1HB GLU2049 -4.790 6.971 9.630 297 HB3 GLU2049 2HB GLU2049 -4.241 6.185 11.121 298 HG2 GLU2049 1HG GLU2049 -2.792 7.929 11.657 299 HG3 GLU2049 2HG GLU2049 -2.595 8.440 9.974 300 HE2 GLU2049 HE GLU2049 -6.073 9.728 10.287 301 H VAL2050 H VAL2050 -3.610 5.169 7.069 302 HA VAL2050 HA VAL2050 -4.962 2.795 8.006 303 HB VAL2050 HB VAL2050 -4.638 4.194 5.362 304 HG11 VAL2050 1HG1 VAL2050 -6.227 2.421 4.463 305 HG12 VAL2050 2HG1 VAL2050 -4.539 1.914 4.709 306 HG13 VAL2050 3HG1 VAL2050 -5.789 1.443 5.886 307 HG21 VAL2050 3HG2 VAL2050 -6.454 4.466 7.461 308 HG22 VAL2050 1HG2 VAL2050 -6.646 5.079 5.801 309 HG23 VAL2050 2HG2 VAL2050 -7.328 3.499 6.251 310 H LEU2051 H LEU2051 -2.068 3.716 6.053 311 HA LEU2051 HA LEU2051 -1.359 0.983 5.619 312 HB2 LEU2051 1HB LEU2051 0.160 3.551 5.191 313 HB3 LEU2051 2HB LEU2051 0.673 1.949 4.632 314 HG LEU2051 HG LEU2051 -0.599 2.084 2.804 315 HD11 LEU2051 1HD1 LEU2051 -2.937 2.484 2.755 316 HD12 LEU2051 2HD1 LEU2051 -2.598 1.623 4.275 317 HD13 LEU2051 3HD1 LEU2051 -2.890 3.378 4.294 318 HD21 LEU2051 3HD2 LEU2051 0.218 4.611 3.444 319 HD22 LEU2051 1HD2 LEU2051 -0.522 4.132 1.898 320 HD23 LEU2051 2HD2 LEU2051 -1.526 4.852 3.178 321 H GLU2052 H GLU2052 -0.289 3.669 7.783 322 HA GLU2052 HA GLU2052 1.871 2.722 8.917 323 HB2 GLU2052 1HB GLU2052 -0.355 4.369 9.775 324 HB3 GLU2052 2HB GLU2052 0.285 3.463 11.157 325 HG2 GLU2052 1HG GLU2052 2.562 4.346 9.760 326 HG3 GLU2052 2HG GLU2052 1.452 5.723 9.693 327 HE2 GLU2052 HE GLU2052 3.466 5.221 12.912 328 HA PRO2053 HA PRO2053 -0.509 -0.381 11.597 329 HB2 PRO2053 1HB PRO2053 -3.186 -0.764 11.209 330 HB3 PRO2053 2HB PRO2053 -2.534 0.312 12.443 331 HG2 PRO2053 1HG PRO2053 -3.751 0.939 9.830 332 HG3 PRO2053 2HG PRO2053 -3.541 2.016 11.257 333 HD2 PRO2053 1HD PRO2053 -2.048 1.986 8.815 334 HD3 PRO2053 2HD PRO2053 -1.700 2.957 10.252 335 H LEU2054 H LEU2054 -2.181 -0.319 8.485 336 HA LEU2054 HA LEU2054 -2.329 -3.017 8.098 337 HB2 LEU2054 1HB LEU2054 -2.092 -0.650 6.304 338 HB3 LEU2054 2HB LEU2054 -2.023 -2.276 5.598 339 HG LEU2054 HG LEU2054 -4.289 -1.176 7.286 340 HD11 LEU2054 1HD1 LEU2054 -3.982 -0.094 5.031 341 HD12 LEU2054 2HD1 LEU2054 -4.297 -1.687 4.305 342 HD13 LEU2054 3HD1 LEU2054 -5.550 -0.896 5.291 343 HD21 LEU2054 3HD2 LEU2054 -4.895 -3.488 5.637 344 HD22 LEU2054 1HD2 LEU2054 -3.591 -3.831 6.801 345 HD23 LEU2054 2HD2 LEU2054 -5.161 -3.218 7.375 346 H HIS2055 H HIS2055 0.384 -0.817 7.094 347 HA HIS2055 HA HIS2055 1.995 -2.844 6.116 348 HB2 HIS2055 1HB HIS2055 2.316 -0.025 6.950 349 HB3 HIS2055 2HB HIS2055 3.799 -0.988 6.926 350 HD1 HIS2055 1HD HIS2055 4.614 0.506 4.893 351 HD2 HIS2055 2HD HIS2055 1.201 -1.815 4.146 352 HE1 HIS2055 1HE HIS2055 4.293 0.500 2.361 353 HE2 HIS2055 2HE HIS2055 2.176 -0.941 1.954 354 H ALA2056 H ALA2056 1.970 -1.257 9.383 355 HA ALA2056 HA ALA2056 4.006 -2.693 10.520 356 HB1 ALA2056 3HB ALA2056 1.446 -1.491 11.608 357 HB2 ALA2056 1HB ALA2056 2.645 -2.265 12.672 358 HB3 ALA2056 2HB ALA2056 3.102 -0.847 11.697 359 H MET2057 H MET2057 0.476 -3.518 10.356 360 HA MET2057 HA MET2057 0.542 -5.804 11.796 361 HB2 MET2057 1HB MET2057 -1.624 -5.848 11.069 362 HB3 MET2057 2HB MET2057 -1.240 -4.454 10.047 363 HG2 MET2057 1HG MET2057 -0.583 -5.986 8.210 364 HG3 MET2057 2HG MET2057 -0.914 -7.384 9.236 365 HE1 MET2057 3HE MET2057 -1.970 -6.237 6.357 366 HE2 MET2057 1HE MET2057 -2.555 -7.861 6.788 367 HE3 MET2057 2HE MET2057 -3.713 -6.594 6.316 368 H MET2058 H MET2058 1.498 -5.295 8.368 369 HA MET2058 HA MET2058 1.763 -8.026 7.798 370 HB2 MET2058 1HB MET2058 2.968 -5.493 6.576 371 HB3 MET2058 2HB MET2058 3.134 -7.092 5.830 372 HG2 MET2058 1HG MET2058 0.362 -6.732 6.434 373 HG3 MET2058 2HG MET2058 0.913 -5.231 5.684 374 HE1 MET2058 3HE MET2058 -0.759 -8.442 3.606 375 HE2 MET2058 1HE MET2058 -1.081 -7.467 5.060 376 HE3 MET2058 2HE MET2058 -1.111 -6.703 3.451 377 H GLU2059 H GLU2059 3.878 -5.579 9.276 378 HA GLU2059 HA GLU2059 6.225 -7.128 8.930 379 HB2 GLU2059 1HB GLU2059 5.846 -4.904 10.953 380 HB3 GLU2059 2HB GLU2059 7.336 -5.383 10.125 381 HG2 GLU2059 1HG GLU2059 4.985 -3.799 9.104 382 HG3 GLU2059 2HG GLU2059 6.714 -3.469 8.920 383 HE2 GLU2059 HE GLU2059 5.013 -4.945 5.893 384 H ARG2060 H ARG2060 4.371 -6.107 11.898 385 HA ARG2060 HA ARG2060 5.672 -8.033 13.462 386 HB2 ARG2060 1HB ARG2060 4.051 -7.363 15.213 387 HB3 ARG2060 2HB ARG2060 4.716 -5.934 14.403 388 HG2 ARG2060 1HG ARG2060 2.681 -5.878 12.942 389 HG3 ARG2060 2HG ARG2060 2.010 -7.243 13.851 390 HD2 ARG2060 1HD ARG2060 1.895 -5.929 15.875 391 HD3 ARG2060 2HD ARG2060 2.853 -4.621 15.166 392 HE ARG2060 HE ARG2060 0.390 -5.213 13.692 393 HH11 ARG2060 2HH2 ARG2060 1.778 -3.347 16.365 394 HH12 ARG2060 1HH2 ARG2060 0.530 -2.147 16.338 395 H GLY2061 H GLY2061 3.006 -8.123 11.239 396 HA2 GLY2061 2HA GLY2061 2.085 -10.697 12.377 397 HA3 GLY2061 3HA GLY2061 1.055 -9.563 11.527 398 HA PRO2062 HA PRO2062 3.957 -11.555 8.332 399 HB2 PRO2062 1HB PRO2062 5.509 -13.667 9.098 400 HB3 PRO2062 2HB PRO2062 6.110 -12.013 9.009 401 HG2 PRO2062 1HG PRO2062 5.347 -13.629 11.355 402 HG3 PRO2062 2HG PRO2062 6.390 -12.160 11.293 403 HD2 PRO2062 1HD PRO2062 3.684 -12.383 12.200 404 HD3 PRO2062 2HD PRO2062 4.611 -10.891 12.006 405 H GLN2063 H GLN2063 4.444 -14.196 7.579 406 HA GLN2063 HA GLN2063 2.035 -15.571 8.329 407 HB2 GLN2063 1HB GLN2063 1.467 -14.048 6.372 408 HB3 GLN2063 2HB GLN2063 2.581 -15.010 5.385 409 HG2 GLN2063 1HG GLN2063 0.699 -16.231 4.951 410 HG3 GLN2063 2HG GLN2063 1.073 -17.002 6.500 411 HE21 GLN2063 1HE2 GLN2063 -1.368 -17.309 6.016 412 HE22 GLN2063 2HE2 GLN2063 -2.440 -16.185 6.784 413 H THR2064 H THR2064 4.272 -15.810 5.478 414 HA THR2064 HA THR2064 5.759 -17.941 6.688 415 HB THR2064 HB THR2064 5.001 -19.606 4.895 416 HG1 THR2064 1HG THR2064 2.925 -17.532 4.756 417 HG21 THR2064 3HG2 THR2064 3.970 -19.502 7.291 418 HG22 THR2064 1HG2 THR2064 2.617 -18.629 6.531 419 HG23 THR2064 2HG2 THR2064 2.995 -20.295 6.031 420 H LEU2065 H LEU2065 7.179 -19.003 4.789 421 HA LEU2065 HA LEU2065 8.708 -16.855 3.822 422 HB2 LEU2065 1HB LEU2065 8.994 -19.588 4.221 423 HB3 LEU2065 2HB LEU2065 9.187 -19.372 2.471 424 HG LEU2065 HG LEU2065 11.352 -19.266 3.374 425 HD11 LEU2065 1HD1 LEU2065 12.133 -17.055 2.847 426 HD12 LEU2065 2HD1 LEU2065 10.798 -17.468 1.745 427 HD13 LEU2065 3HD1 LEU2065 10.513 -16.367 3.115 428 HD21 LEU2065 3HD2 LEU2065 11.230 -17.109 5.272 429 HD22 LEU2065 1HD2 LEU2065 10.065 -18.378 5.721 430 HD23 LEU2065 2HD2 LEU2065 11.783 -18.787 5.495 431 H LYS2066 H LYS2066 5.958 -18.656 2.548 432 HA LYS2066 HA LYS2066 6.405 -18.050 -0.169 433 HB2 LYS2066 1HB LYS2066 4.040 -18.962 1.449 434 HB3 LYS2066 2HB LYS2066 3.877 -18.576 -0.272 435 HG2 LYS2066 1HG LYS2066 6.112 -20.151 -0.313 436 HG3 LYS2066 2HG LYS2066 5.253 -20.866 1.062 437 HD2 LYS2066 1HD LYS2066 3.193 -20.657 -0.678 438 HD3 LYS2066 2HD LYS2066 4.517 -20.798 -1.847 439 HE2 LYS2066 1HE LYS2066 5.093 -22.949 -1.120 440 HE3 LYS2066 2HE LYS2066 4.386 -22.721 0.485 441 HZ1 LYS2066 2HZ LYS2066 2.764 -22.871 -1.996 442 HZ3 LYS2066 1HZ LYS2066 2.207 -22.912 -0.468 443 H GLU2067 H GLU2067 4.729 -16.401 2.545 444 HA GLU2067 HA GLU2067 3.699 -14.394 0.827 445 HB2 GLU2067 1HB GLU2067 3.700 -14.983 3.755 446 HB3 GLU2067 2HB GLU2067 3.430 -13.294 3.285 447 HG2 GLU2067 1HG GLU2067 1.852 -15.727 2.346 448 HG3 GLU2067 2HG GLU2067 1.280 -14.490 3.473 449 HE2 GLU2067 HE GLU2067 0.855 -13.954 -0.369 450 H THR2068 H THR2068 6.684 -14.977 2.594 451 HA THR2068 HA THR2068 7.573 -12.384 3.008 452 HB THR2068 HB THR2068 8.894 -15.080 2.496 453 HG1 THR2068 1HG THR2068 9.312 -14.637 4.810 454 HG21 THR2068 3HG2 THR2068 11.043 -14.127 3.115 455 HG22 THR2068 1HG2 THR2068 10.442 -13.156 1.750 456 HG23 THR2068 2HG2 THR2068 10.315 -12.530 3.410 457 H SER2069 H SER2069 7.249 -14.238 0.018 458 HA SER2069 HA SER2069 9.026 -12.591 -1.428 459 HB2 SER2069 1HB SER2069 7.307 -14.903 -1.912 460 HB3 SER2069 2HB SER2069 7.238 -13.760 -3.264 461 HG SER2069 HG SER2069 9.505 -15.162 -2.172 462 H PHE2070 H PHE2070 5.504 -12.653 -0.749 463 HA PHE2070 HA PHE2070 4.742 -10.776 -2.671 464 HB2 PHE2070 1HB PHE2070 3.184 -12.250 -1.437 465 HB3 PHE2070 2HB PHE2070 3.712 -11.584 0.111 466 HD1 PHE2070 1HD PHE2070 1.680 -11.011 -2.882 467 HD2 PHE2070 2HD PHE2070 2.884 -9.440 0.872 468 HE1 PHE2070 1HE PHE2070 -0.178 -9.328 -2.990 469 HE2 PHE2070 2HE PHE2070 1.025 -7.757 0.764 470 HZ PHE2070 HZ PHE2070 -0.484 -7.721 -1.166 471 H ASN2071 H ASN2071 5.545 -10.400 0.853 472 HA ASN2071 HA ASN2071 5.126 -7.670 0.888 473 HB2 ASN2071 1HB ASN2071 5.330 -9.111 2.915 474 HB3 ASN2071 2HB ASN2071 7.051 -9.353 2.581 475 HD21 ASN2071 1HD2 ASN2071 4.585 -6.851 3.094 476 HD22 ASN2071 2HD2 ASN2071 5.589 -5.713 3.929 477 H GLN2072 H GLN2072 7.841 -9.733 -0.135 478 HA GLN2072 HA GLN2072 9.738 -7.621 -0.108 479 HB2 GLN2072 1HB GLN2072 9.683 -10.502 -0.915 480 HB3 GLN2072 2HB GLN2072 10.951 -9.489 -1.629 481 HG2 GLN2072 1HG GLN2072 11.431 -8.707 0.787 482 HG3 GLN2072 2HG GLN2072 10.418 -10.060 1.315 483 HE21 GLN2072 1HE2 GLN2072 13.400 -9.034 -0.118 484 HE22 GLN2072 2HE2 GLN2072 14.224 -10.557 -0.124 485 H ALA2073 H ALA2073 7.781 -9.372 -2.594 486 HA ALA2073 HA ALA2073 8.782 -8.356 -4.885 487 HB1 ALA2073 3HB ALA2073 5.917 -8.228 -5.037 488 HB2 ALA2073 1HB ALA2073 7.005 -9.503 -5.636 489 HB3 ALA2073 2HB ALA2073 6.364 -9.587 -3.977 490 H TYR2074 H TYR2074 6.477 -6.734 -2.615 491 HA TYR2074 HA TYR2074 6.766 -4.286 -4.191 492 HB2 TYR2074 1HB TYR2074 5.049 -5.022 -1.748 493 HB3 TYR2074 2HB TYR2074 4.789 -3.629 -2.803 494 HD1 TYR2074 1HD TYR2074 4.556 -4.391 -5.421 495 HD2 TYR2074 2HD TYR2074 3.587 -6.779 -2.008 496 HE1 TYR2074 1HE TYR2074 2.972 -5.785 -6.839 497 HE2 TYR2074 2HE TYR2074 2.005 -8.166 -3.438 498 HH TYR2074 HH TYR2074 1.774 -7.617 -6.921 499 H GLY2075 H GLY2075 7.934 -5.870 -1.322 500 HA2 GLY2075 2HA GLY2075 8.288 -4.034 0.589 501 HA3 GLY2075 3HA GLY2075 9.542 -5.162 0.114 502 H ARG2076 H ARG2076 9.730 -3.957 -2.673 503 HA ARG2076 HA ARG2076 11.629 -1.986 -1.948 504 HB2 ARG2076 1HB ARG2076 12.077 -3.544 -3.793 505 HB3 ARG2076 2HB ARG2076 10.650 -2.974 -4.674 506 HG2 ARG2076 1HG ARG2076 12.715 -1.965 -5.567 507 HG3 ARG2076 2HG ARG2076 11.674 -0.719 -4.861 508 HD2 ARG2076 1HD ARG2076 13.079 -0.434 -2.994 509 HD3 ARG2076 2HD ARG2076 13.816 -2.033 -3.167 510 HE ARG2076 HE ARG2076 14.612 -0.814 -5.473 511 HH11 ARG2076 2HH2 ARG2076 14.680 0.316 -2.115 512 HH12 ARG2076 1HH2 ARG2076 16.066 1.327 -2.354 513 H ASP2077 H ASP2077 8.485 -2.098 -3.748 514 HA ASP2077 HA ASP2077 8.449 0.550 -4.487 515 HB2 ASP2077 1HB ASP2077 6.158 -1.332 -3.781 516 HB3 ASP2077 2HB ASP2077 5.941 0.214 -4.617 517 HD2 ASP2077 HD ASP2077 6.796 -1.065 -7.671 518 H LEU2078 H LEU2078 6.802 -1.150 -1.707 519 HA LEU2078 HA LEU2078 5.708 1.053 -0.499 520 HB2 LEU2078 1HB LEU2078 6.703 -1.577 0.540 521 HB3 LEU2078 2HB LEU2078 5.969 -0.376 1.617 522 HG LEU2078 HG LEU2078 3.908 -0.461 0.245 523 HD11 LEU2078 1HD1 LEU2078 3.705 -2.477 -1.317 524 HD12 LEU2078 2HD1 LEU2078 4.615 -1.066 -1.908 525 HD13 LEU2078 3HD1 LEU2078 5.484 -2.505 -1.319 526 HD21 LEU2078 3HD2 LEU2078 4.495 -2.005 2.264 527 HD22 LEU2078 1HD2 LEU2078 3.048 -2.333 1.283 528 HD23 LEU2078 2HD2 LEU2078 4.529 -3.290 1.032 529 H MET2079 H MET2079 9.019 -0.343 -0.128 530 HA MET2079 HA MET2079 9.894 1.215 1.903 531 HB2 MET2079 1HB MET2079 11.214 -0.604 0.918 532 HB3 MET2079 2HB MET2079 11.334 0.253 -0.627 533 HG2 MET2079 1HG MET2079 12.978 1.680 0.151 534 HG3 MET2079 2HG MET2079 12.337 1.710 1.796 535 HE1 MET2079 3HE MET2079 13.528 -1.145 3.583 536 HE2 MET2079 1HE MET2079 12.021 -0.379 3.028 537 HE3 MET2079 2HE MET2079 12.514 -1.956 2.365 538 H GLU2080 H GLU2080 9.936 1.983 -1.640 539 HA GLU2080 HA GLU2080 11.113 4.502 -1.222 540 HB2 GLU2080 1HB GLU2080 11.337 3.312 -3.340 541 HB3 GLU2080 2HB GLU2080 9.585 3.365 -3.604 542 HG2 GLU2080 1HG GLU2080 9.626 5.773 -3.826 543 HG3 GLU2080 2HG GLU2080 11.310 5.862 -3.287 544 HE2 GLU2080 HE GLU2080 12.513 4.608 -6.359 545 H ALA2081 H ALA2081 7.733 3.359 -1.855 546 HA ALA2081 HA ALA2081 6.510 5.820 -2.013 547 HB1 ALA2081 3HB ALA2081 4.893 3.875 -0.576 548 HB2 ALA2081 1HB ALA2081 4.716 4.479 -2.239 549 HB3 ALA2081 2HB ALA2081 5.784 3.095 -1.905 550 H GLN2082 H GLN2082 7.366 3.829 0.877 551 HA GLN2082 HA GLN2082 6.112 5.491 2.708 552 HB2 GLN2082 1HB GLN2082 7.022 3.111 3.013 553 HB3 GLN2082 2HB GLN2082 8.611 3.853 3.274 554 HG2 GLN2082 1HG GLN2082 6.919 5.342 4.917 555 HG3 GLN2082 2HG GLN2082 6.270 3.702 5.068 556 HE21 GLN2082 1HE2 GLN2082 6.954 3.736 7.245 557 HE22 GLN2082 2HE2 GLN2082 8.604 3.440 7.690 558 H GLU2083 H GLU2083 9.372 5.540 1.213 559 HA GLU2083 HA GLU2083 10.497 7.395 2.924 560 HB2 GLU2083 1HB GLU2083 12.267 6.926 1.634 561 HB3 GLU2083 2HB GLU2083 11.216 6.017 0.535 562 HG2 GLU2083 1HG GLU2083 10.737 8.082 -0.725 563 HG3 GLU2083 2HG GLU2083 11.724 9.027 0.401 564 HE2 GLU2083 HE GLU2083 13.511 7.707 -2.665 565 H TRP2084 H TRP2084 8.394 7.745 0.046 566 HA TRP2084 HA TRP2084 8.756 10.571 -0.123 567 HB2 TRP2084 1HB TRP2084 6.758 8.680 -1.358 568 HB3 TRP2084 2HB TRP2084 6.827 10.410 -1.704 569 HD1 TRP2084 HD TRP2084 8.420 7.141 -2.717 570 HE1 TRP2084 1HE TRP2084 10.302 7.460 -4.539 571 HE3 TRP2084 3HE TRP2084 8.685 12.202 -2.311 572 HZ2 TRP2084 2HZ TRP2084 11.659 9.743 -5.582 573 HZ3 TRP2084 3HZ TRP2084 10.316 13.400 -3.766 574 HH2 TRP2084 HH TRP2084 11.771 12.253 -5.361 575 H CYS2085 H CYS2085 6.784 8.281 1.699 576 HA CYS2085 HA CYS2085 4.679 10.050 2.299 577 HB2 CYS2085 1HB CYS2085 5.661 7.560 3.709 578 HB3 CYS2085 2HB CYS2085 4.159 8.411 4.114 579 HG CYS2085 HG CYS2085 3.773 8.380 1.215 580 H ARG2086 H ARG2086 7.522 8.842 4.241 581 HA ARG2086 HA ARG2086 7.103 10.646 6.302 582 HB2 ARG2086 1HB ARG2086 9.263 9.921 7.126 583 HB3 ARG2086 2HB ARG2086 8.496 8.512 6.378 584 HG2 ARG2086 1HG ARG2086 9.846 9.657 4.248 585 HG3 ARG2086 2HG ARG2086 10.947 9.986 5.599 586 HD2 ARG2086 1HD ARG2086 9.827 7.272 4.769 587 HD3 ARG2086 2HD ARG2086 11.500 7.815 4.568 588 HE ARG2086 HE ARG2086 10.292 6.752 6.981 589 HH11 ARG2086 2HH2 ARG2086 12.736 9.056 5.849 590 HH12 ARG2086 1HH2 ARG2086 13.670 8.971 7.304 591 H LYS2087 H LYS2087 8.731 10.871 3.165 592 HA LYS2087 HA LYS2087 10.343 13.114 3.808 593 HB2 LYS2087 1HB LYS2087 11.056 11.746 2.038 594 HB3 LYS2087 2HB LYS2087 9.481 11.800 1.225 595 HG2 LYS2087 1HG LYS2087 10.906 14.397 1.731 596 HG3 LYS2087 2HG LYS2087 11.548 13.346 0.454 597 HD2 LYS2087 1HD LYS2087 8.906 13.255 -0.163 598 HD3 LYS2087 2HD LYS2087 8.964 14.861 0.588 599 HE2 LYS2087 1HE LYS2087 11.218 14.424 -1.235 600 HE3 LYS2087 2HE LYS2087 9.667 14.206 -2.064 601 HZ1 LYS2087 2HZ LYS2087 10.583 16.602 -0.578 602 HZ3 LYS2087 1HZ LYS2087 9.032 16.410 -1.040 603 H TYR2088 H TYR2088 6.996 12.600 2.697 604 HA TYR2088 HA TYR2088 6.603 15.344 1.997 605 HB2 TYR2088 1HB TYR2088 5.215 13.705 0.923 606 HB3 TYR2088 2HB TYR2088 5.013 12.772 2.410 607 HD1 TYR2088 1HD TYR2088 3.882 15.745 0.525 608 HD2 TYR2088 2HD TYR2088 3.240 13.287 3.967 609 HE1 TYR2088 1HE TYR2088 1.629 16.857 0.906 610 HE2 TYR2088 2HE TYR2088 0.989 14.408 4.337 611 HH TYR2088 HH TYR2088 -0.285 16.112 3.775 612 H MET2089 H MET2089 5.768 13.214 4.802 613 HA MET2089 HA MET2089 4.271 15.105 6.145 614 HB2 MET2089 1HB MET2089 5.999 12.764 7.086 615 HB3 MET2089 2HB MET2089 4.920 13.644 8.180 616 HG2 MET2089 1HG MET2089 3.150 13.107 6.213 617 HG3 MET2089 2HG MET2089 4.259 11.763 5.925 618 HE1 MET2089 3HE MET2089 1.076 12.572 8.546 619 HE2 MET2089 1HE MET2089 1.345 12.406 6.795 620 HE3 MET2089 2HE MET2089 0.920 10.978 7.769 621 H LYS2090 H LYS2090 7.808 14.442 6.118 622 HA LYS2090 HA LYS2090 8.449 16.115 8.270 623 HB2 LYS2090 1HB LYS2090 9.786 14.281 6.903 624 HB3 LYS2090 2HB LYS2090 10.379 15.703 6.027 625 HG2 LYS2090 1HG LYS2090 10.396 15.462 9.060 626 HG3 LYS2090 2HG LYS2090 11.772 14.986 8.050 627 HD2 LYS2090 1HD LYS2090 12.412 17.136 7.755 628 HD3 LYS2090 2HD LYS2090 10.764 17.672 7.385 629 HE2 LYS2090 1HE LYS2090 10.939 18.767 9.377 630 HE3 LYS2090 2HE LYS2090 10.566 17.189 10.087 631 HZ1 LYS2090 2HZ LYS2090 12.947 16.794 10.304 632 HZ3 LYS2090 1HZ LYS2090 12.586 18.203 11.037 633 H SER2091 H SER2091 8.644 16.694 4.684 634 HA SER2091 HA SER2091 7.513 19.183 4.814 635 HB2 SER2091 1HB SER2091 10.272 19.172 5.688 636 HB3 SER2091 2HB SER2091 10.135 20.107 4.188 637 HG SER2091 HG SER2091 9.515 20.889 6.674 638 H GLY2092 H GLY2092 6.655 17.908 2.954 639 HA2 GLY2092 2HA GLY2092 8.436 18.106 0.599 640 HA3 GLY2092 3HA GLY2092 7.349 16.759 0.870 641 H ASN2093 H ASN2093 6.118 17.122 -1.044 642 HA ASN2093 HA ASN2093 4.292 19.347 -0.745 643 HB2 ASN2093 1HB ASN2093 6.271 18.986 -2.894 644 HB3 ASN2093 2HB ASN2093 4.627 19.092 -3.539 645 HD21 ASN2093 1HD2 ASN2093 7.283 20.717 -2.139 646 HD22 ASN2093 2HD2 ASN2093 6.622 22.318 -2.056 647 H VAL2094 H VAL2094 2.595 18.953 -2.858 648 HA VAL2094 HA VAL2094 1.400 16.452 -2.263 649 HB VAL2094 HB VAL2094 0.493 18.836 -3.071 650 HG11 VAL2094 1HG1 VAL2094 -0.292 18.744 -5.382 651 HG12 VAL2094 2HG1 VAL2094 1.483 18.640 -5.322 652 HG13 VAL2094 3HG1 VAL2094 0.517 17.175 -5.612 653 HG21 VAL2094 3HG2 VAL2094 -0.624 16.081 -3.122 654 HG22 VAL2094 1HG2 VAL2094 -1.165 17.526 -2.236 655 HG23 VAL2094 2HG2 VAL2094 -1.564 17.339 -3.961 656 H LYS2095 H LYS2095 3.343 17.786 -4.982 657 HA LYS2095 HA LYS2095 2.985 15.799 -6.821 658 HB2 LYS2095 1HB LYS2095 5.303 16.412 -7.581 659 HB3 LYS2095 2HB LYS2095 4.165 17.763 -7.423 660 HG2 LYS2095 1HG LYS2095 5.809 18.740 -6.203 661 HG3 LYS2095 2HG LYS2095 5.299 17.660 -4.896 662 HD2 LYS2095 1HD LYS2095 6.940 15.946 -5.893 663 HD3 LYS2095 2HD LYS2095 7.579 17.273 -6.878 664 HE2 LYS2095 1HE LYS2095 8.298 18.484 -4.945 665 HE3 LYS2095 2HE LYS2095 7.333 17.483 -3.851 666 HZ1 LYS2095 2HZ LYS2095 9.951 16.981 -4.927 667 HZ3 LYS2095 1HZ LYS2095 8.967 15.694 -5.088 668 H ASP2096 H ASP2096 5.308 15.896 -4.045 669 HA ASP2096 HA ASP2096 6.452 13.441 -4.645 670 HB2 ASP2096 1HB ASP2096 7.694 13.836 -2.771 671 HB3 ASP2096 2HB ASP2096 6.951 15.441 -2.850 672 HD2 ASP2096 HD ASP2096 5.683 12.839 -0.067 673 H LEU2097 H LEU2097 3.705 14.496 -2.540 674 HA LEU2097 HA LEU2097 3.220 12.050 -1.309 675 HB2 LEU2097 1HB LEU2097 2.273 13.932 -0.357 676 HB3 LEU2097 2HB LEU2097 1.569 14.489 -1.885 677 HG LEU2097 HG LEU2097 -0.202 12.963 -1.758 678 HD11 LEU2097 1HD1 LEU2097 -0.031 11.286 0.376 679 HD12 LEU2097 2HD1 LEU2097 0.423 10.856 -1.292 680 HD13 LEU2097 3HD1 LEU2097 1.674 11.368 -0.131 681 HD21 LEU2097 3HD2 LEU2097 -0.541 13.147 1.027 682 HD22 LEU2097 1HD2 LEU2097 0.407 14.577 0.553 683 HD23 LEU2097 2HD2 LEU2097 -1.161 14.250 -0.226 684 H THR2098 H THR2098 1.953 13.474 -4.382 685 HA THR2098 HA THR2098 0.203 11.380 -4.984 686 HB THR2098 HB THR2098 1.728 13.434 -6.663 687 HG1 THR2098 1HG THR2098 0.113 14.296 -5.255 688 HG21 THR2098 3HG2 THR2098 -0.033 11.182 -7.484 689 HG22 THR2098 1HG2 THR2098 -0.619 12.778 -8.011 690 HG23 THR2098 2HG2 THR2098 1.006 12.227 -8.485 691 H GLN2099 H GLN2099 3.710 11.810 -5.663 692 HA GLN2099 HA GLN2099 3.964 9.675 -7.364 693 HB2 GLN2099 1HB GLN2099 5.657 11.515 -6.017 694 HB3 GLN2099 2HB GLN2099 6.307 9.903 -5.667 695 HG2 GLN2099 1HG GLN2099 5.909 9.544 -8.273 696 HG3 GLN2099 2HG GLN2099 5.975 11.312 -8.320 697 HE21 GLN2099 1HE2 GLN2099 7.845 10.505 -9.722 698 HE22 GLN2099 2HE2 GLN2099 9.394 10.387 -8.960 699 H ALA2100 H ALA2100 4.318 9.814 -3.754 700 HA ALA2100 HA ALA2100 4.990 7.153 -3.381 701 HB1 ALA2100 3HB ALA2100 4.607 9.400 -1.819 702 HB2 ALA2100 1HB ALA2100 3.262 8.351 -1.310 703 HB3 ALA2100 2HB ALA2100 4.938 7.763 -1.200 704 H TRP2101 H TRP2101 1.747 8.775 -3.438 705 HA TRP2101 HA TRP2101 0.238 6.522 -2.877 706 HB2 TRP2101 1HB TRP2101 -0.184 9.214 -3.680 707 HB3 TRP2101 2HB TRP2101 -1.162 8.181 -4.726 708 HD1 TRP2101 HD TRP2101 -1.240 9.756 -1.354 709 HE1 TRP2101 1HE TRP2101 -3.232 8.900 0.148 710 HE3 TRP2101 3HE TRP2101 -2.433 5.777 -4.287 711 HZ2 TRP2101 2HZ TRP2101 -5.044 6.703 -0.053 712 HZ3 TRP2101 3HZ TRP2101 -4.325 4.327 -3.562 713 HH2 TRP2101 HH TRP2101 -5.614 4.736 -1.525 714 H ASP2102 H ASP2102 1.906 7.631 -5.823 715 HA ASP2102 HA ASP2102 0.518 6.033 -7.619 716 HB2 ASP2102 1HB ASP2102 2.368 7.963 -7.861 717 HB3 ASP2102 2HB ASP2102 3.459 6.575 -8.001 718 HD2 ASP2102 HD ASP2102 2.688 6.109 -11.269 719 H LEU2103 H LEU2103 3.630 5.609 -5.783 720 HA LEU2103 HA LEU2103 4.374 3.162 -6.803 721 HB2 LEU2103 1HB LEU2103 4.835 4.606 -4.232 722 HB3 LEU2103 2HB LEU2103 5.421 2.944 -4.420 723 HG LEU2103 HG LEU2103 6.510 3.902 -6.610 724 HD11 LEU2103 1HD1 LEU2103 5.516 6.078 -6.637 725 HD12 LEU2103 2HD1 LEU2103 6.055 6.407 -4.974 726 HD13 LEU2103 3HD1 LEU2103 7.251 6.271 -6.286 727 HD21 LEU2103 3HD2 LEU2103 7.440 4.072 -3.772 728 HD22 LEU2103 1HD2 LEU2103 8.010 3.044 -5.109 729 HD23 LEU2103 2HD2 LEU2103 8.455 4.768 -5.058 730 H TYR2104 H TYR2104 2.329 3.882 -3.891 731 HA TYR2104 HA TYR2104 1.836 1.250 -3.191 732 HB2 TYR2104 1HB TYR2104 0.375 3.933 -3.046 733 HB3 TYR2104 2HB TYR2104 -0.381 2.497 -2.347 734 HD1 TYR2104 2HD TYR2104 1.890 1.114 -1.100 735 HD2 TYR2104 1HD TYR2104 0.991 5.293 -1.265 736 HE1 TYR2104 2HE TYR2104 3.206 1.488 1.045 737 HE2 TYR2104 1HE TYR2104 2.308 5.655 0.880 738 HH TYR2104 HH TYR2104 3.787 4.739 2.257 739 H TYR2105 H TYR2105 -0.259 3.480 -5.166 740 HA TYR2105 HA TYR2105 -2.249 1.708 -5.761 741 HB2 TYR2105 1HB TYR2105 -2.019 4.186 -6.311 742 HB3 TYR2105 2HB TYR2105 -0.827 3.779 -7.550 743 HD1 TYR2105 1HD TYR2105 -3.397 1.321 -7.398 744 HD2 TYR2105 2HD TYR2105 -2.522 5.223 -8.919 745 HE1 TYR2105 1HE TYR2105 -5.271 1.085 -9.101 746 HE2 TYR2105 2HE TYR2105 -4.399 4.973 -10.616 747 HH TYR2105 HH TYR2105 -6.577 2.226 -10.503 748 H HIS2106 H HIS2106 1.071 1.803 -6.999 749 HA HIS2106 HA HIS2106 0.542 0.242 -9.295 750 HB2 HIS2106 1HB HIS2106 2.506 1.810 -8.817 751 HB3 HIS2106 2HB HIS2106 3.199 0.480 -7.883 752 HD1 HIS2106 1HD HIS2106 3.953 -1.661 -9.230 753 HD2 HIS2106 2HD HIS2106 2.629 1.541 -11.595 754 HE1 HIS2106 1HE HIS2106 4.693 -2.179 -11.616 755 HE2 HIS2106 2HE HIS2106 3.853 -0.174 -13.033 756 H VAL2107 H VAL2107 2.030 -0.512 -6.065 757 HA VAL2107 HA VAL2107 2.187 -3.268 -6.558 758 HB VAL2107 HB VAL2107 2.857 -3.443 -4.332 759 HG11 VAL2107 1HG1 VAL2107 3.837 -0.772 -4.189 760 HG12 VAL2107 2HG1 VAL2107 4.688 -2.238 -4.735 761 HG13 VAL2107 3HG1 VAL2107 3.791 -1.240 -5.906 762 HG21 VAL2107 3HG2 VAL2107 1.529 -0.797 -3.669 763 HG22 VAL2107 1HG2 VAL2107 0.784 -2.388 -3.380 764 HG23 VAL2107 2HG2 VAL2107 2.292 -1.944 -2.541 765 H PHE2108 H PHE2108 -0.296 -1.169 -4.993 766 HA PHE2108 HA PHE2108 -1.932 -3.298 -4.176 767 HB2 PHE2108 1HB PHE2108 -2.149 -0.314 -4.725 768 HB3 PHE2108 2HB PHE2108 -3.636 -1.208 -4.388 769 HD1 PHE2108 2HD PHE2108 -0.225 -0.637 -2.990 770 HD2 PHE2108 1HD PHE2108 -4.315 -1.434 -2.188 771 HE1 PHE2108 2HE PHE2108 0.212 -0.406 -0.529 772 HE2 PHE2108 1HE PHE2108 -3.878 -1.202 0.273 773 HZ PHE2108 HZ PHE2108 -1.620 -0.691 1.073 774 H ARG2109 H ARG2109 -1.510 -1.570 -7.251 775 HA ARG2109 HA ARG2109 -3.991 -2.449 -8.285 776 HB2 ARG2109 1HB ARG2109 -3.135 -0.446 -9.239 777 HB3 ARG2109 2HB ARG2109 -1.518 -1.131 -9.471 778 HG2 ARG2109 1HG ARG2109 -2.158 -2.327 -11.369 779 HG3 ARG2109 2HG ARG2109 -3.864 -2.396 -10.895 780 HD2 ARG2109 1HD ARG2109 -4.127 -0.009 -11.409 781 HD3 ARG2109 2HD ARG2109 -2.400 0.140 -11.775 782 HE ARG2109 HE ARG2109 -2.756 -1.000 -13.828 783 HH11 ARG2109 2HH2 ARG2109 -5.723 -0.962 -11.892 784 HH12 ARG2109 1HH2 ARG2109 -6.732 -1.481 -13.200 785 H ARG2110 H ARG2110 -0.675 -3.669 -8.086 786 HA ARG2110 HA ARG2110 -0.948 -5.490 -10.219 787 HB2 ARG2110 1HB ARG2110 1.024 -5.070 -7.966 788 HB3 ARG2110 2HB ARG2110 1.130 -6.547 -8.937 789 HG2 ARG2110 1HG ARG2110 0.968 -3.823 -10.252 790 HG3 ARG2110 2HG ARG2110 2.520 -4.442 -9.662 791 HD2 ARG2110 1HD ARG2110 1.105 -6.484 -11.188 792 HD3 ARG2110 2HD ARG2110 1.272 -5.008 -12.150 793 HE ARG2110 HE ARG2110 3.785 -5.374 -11.029 794 HH11 ARG2110 2HH2 ARG2110 1.650 -7.400 -13.000 795 HH12 ARG2110 1HH2 ARG2110 2.953 -8.270 -13.741 796 H ILE2111 H ILE2111 -0.981 -5.752 -6.593 797 HA ILE2111 HA ILE2111 -1.301 -8.424 -6.299 798 HB ILE2111 HB ILE2111 -2.677 -7.790 -4.261 799 HG12 ILE2111 1HG1 ILE2111 -2.017 -4.996 -5.215 800 HG13 ILE2111 2HG1 ILE2111 -3.638 -5.711 -5.163 801 HG21 ILE2111 1HG2 ILE2111 -0.766 -7.228 -3.065 802 HG22 ILE2111 2HG2 ILE2111 -0.114 -8.044 -4.506 803 HG23 ILE2111 3HG2 ILE2111 -0.086 -6.266 -4.400 804 HD11 ILE2111 3HD1 ILE2111 -2.990 -6.154 -2.613 805 HD12 ILE2111 1HD1 ILE2111 -1.850 -4.819 -2.904 806 HD13 ILE2111 2HD1 ILE2111 -3.598 -4.562 -3.131 807 H SER2112 H SER2112 -3.687 -6.029 -7.446 808 HA SER2112 HA SER2112 -5.825 -7.885 -7.300 809 HB2 SER2112 1HB SER2112 -6.764 -5.985 -8.981 810 HB3 SER2112 2HB SER2112 -6.718 -5.770 -7.222 811 HG SER2112 HG SER2112 -4.966 -4.431 -7.396 812 H LYS2113 H LYS2113 -3.711 -6.506 -9.899 813 HA LYS2113 HA LYS2113 -4.828 -7.510 -12.123 814 HB2 LYS2113 1HB LYS2113 -2.287 -6.544 -11.320 815 HB3 LYS2113 2HB LYS2113 -2.010 -7.996 -12.296 816 HG2 LYS2113 1HG LYS2113 -2.107 -6.267 -13.893 817 HG3 LYS2113 2HG LYS2113 -3.744 -6.946 -13.947 818 HD2 LYS2113 1HD LYS2113 -2.985 -4.584 -12.189 819 HD3 LYS2113 2HD LYS2113 -3.562 -4.378 -13.853 820 HE2 LYS2113 1HE LYS2113 -5.610 -5.750 -13.173 821 HE3 LYS2113 2HE LYS2113 -5.054 -5.615 -11.497 822 HZ1 LYS2113 2HZ LYS2113 -6.046 -3.615 -11.470 823 HZ3 LYS2113 1HZ LYS2113 -6.425 -3.690 -13.052 824 H GLN2114 H GLN2114 -5.438 -9.466 -12.883 825 HA GLN2114 HA GLN2114 -4.879 -11.737 -11.287 826 HB2 GLN2114 1HB GLN2114 -6.523 -11.112 -13.707 827 HB3 GLN2114 2HB GLN2114 -6.095 -12.812 -13.444 828 HG2 GLN2114 1HG GLN2114 -7.015 -12.630 -11.118 829 HG3 GLN2114 2HG GLN2114 -7.513 -10.967 -11.463 830 HE21 GLN2114 1HE2 GLN2114 -9.548 -10.765 -11.949 831 HE22 GLN2114 2HE2 GLN2114 -10.555 -11.902 -12.780 Start of MODEL 21 1 H MET2014 H MET2014 -16.127 -4.292 3.443 2 HA MET2014 HA MET2014 -17.961 -5.014 1.412 3 HB2 MET2014 1HB MET2014 -16.899 -2.305 1.503 4 HB3 MET2014 2HB MET2014 -16.254 -3.124 0.070 5 HG2 MET2014 1HG MET2014 -18.499 -3.637 -0.716 6 HG3 MET2014 2HG MET2014 -19.220 -3.086 0.798 7 HE1 MET2014 3HE MET2014 -20.196 -0.673 0.993 8 HE2 MET2014 1HE MET2014 -18.581 -0.674 1.741 9 HE3 MET2014 2HE MET2014 -19.074 0.676 0.691 10 H GLU2015 H GLU2015 -16.963 -6.995 1.124 11 HA GLU2015 HA GLU2015 -14.082 -6.910 0.707 12 HB2 GLU2015 1HB GLU2015 -15.979 -9.055 1.670 13 HB3 GLU2015 2HB GLU2015 -14.387 -9.496 1.028 14 HG2 GLU2015 1HG GLU2015 -13.417 -8.931 2.979 15 HG3 GLU2015 2HG GLU2015 -14.085 -7.295 2.885 16 HE2 GLU2015 HE GLU2015 -16.868 -8.133 4.862 17 H LEU2016 H LEU2016 -17.105 -7.145 -0.895 18 HA LEU2016 HA LEU2016 -17.761 -7.895 -2.885 19 HB2 LEU2016 1HB LEU2016 -15.588 -6.134 -3.114 20 HB3 LEU2016 2HB LEU2016 -15.350 -7.374 -4.358 21 HG LEU2016 HG LEU2016 -16.541 -5.469 -5.262 22 HD11 LEU2016 1HD1 LEU2016 -17.129 -7.499 -6.309 23 HD12 LEU2016 2HD1 LEU2016 -18.178 -7.989 -4.958 24 HD13 LEU2016 3HD1 LEU2016 -18.662 -6.643 -6.016 25 HD21 LEU2016 3HD2 LEU2016 -17.601 -4.376 -3.528 26 HD22 LEU2016 1HD2 LEU2016 -18.971 -5.135 -4.374 27 HD23 LEU2016 2HD2 LEU2016 -18.330 -5.867 -2.884 28 H ILE2017 H ILE2017 -16.463 -9.078 -5.090 29 HA ILE2017 HA ILE2017 -16.476 -11.734 -4.357 30 HB ILE2017 HB ILE2017 -16.772 -10.672 -6.632 31 HG12 ILE2017 1HG1 ILE2017 -14.888 -13.014 -6.712 32 HG13 ILE2017 2HG1 ILE2017 -16.513 -13.173 -6.027 33 HG21 ILE2017 1HG2 ILE2017 -14.235 -9.710 -6.247 34 HG22 ILE2017 2HG2 ILE2017 -13.948 -11.102 -7.317 35 HG23 ILE2017 3HG2 ILE2017 -15.073 -9.817 -7.813 36 HD11 ILE2017 3HD1 ILE2017 -15.827 -12.212 -8.844 37 HD12 ILE2017 1HD1 ILE2017 -16.509 -13.798 -8.415 38 HD13 ILE2017 2HD1 ILE2017 -17.472 -12.322 -8.171 39 H ARG2018 H ARG2018 -13.876 -9.317 -4.280 40 HA ARG2018 HA ARG2018 -11.688 -10.861 -4.310 41 HB2 ARG2018 1HB ARG2018 -11.643 -8.409 -4.088 42 HB3 ARG2018 2HB ARG2018 -12.282 -8.513 -2.437 43 HG2 ARG2018 1HG ARG2018 -10.019 -8.309 -1.995 44 HG3 ARG2018 2HG ARG2018 -10.143 -10.076 -2.077 45 HD2 ARG2018 1HD ARG2018 -8.649 -10.085 -3.767 46 HD3 ARG2018 2HD ARG2018 -9.741 -9.102 -4.753 47 HE ARG2018 HE ARG2018 -8.583 -7.240 -3.091 48 HH11 ARG2018 2HH2 ARG2018 -7.213 -9.758 -5.173 49 HH12 ARG2018 1HH2 ARG2018 -5.745 -8.888 -5.470 50 H VAL2019 H VAL2019 -10.835 -12.497 -3.037 51 HA VAL2019 HA VAL2019 -12.208 -13.846 -1.173 52 HB VAL2019 HB VAL2019 -9.240 -13.375 -1.450 53 HG11 VAL2019 1HG1 VAL2019 -10.492 -15.629 0.141 54 HG12 VAL2019 2HG1 VAL2019 -8.777 -15.160 0.041 55 HG13 VAL2019 3HG1 VAL2019 -9.938 -14.113 0.891 56 HG21 VAL2019 3HG2 VAL2019 -10.843 -15.843 -2.161 57 HG22 VAL2019 1HG2 VAL2019 -10.607 -14.494 -3.298 58 HG23 VAL2019 2HG2 VAL2019 -9.202 -15.396 -2.682 59 HA PRO2020 HA PRO2020 -12.438 -11.161 2.237 60 HB2 PRO2020 1HB PRO2020 -13.723 -12.843 3.962 61 HB3 PRO2020 2HB PRO2020 -14.564 -11.881 2.748 62 HG2 PRO2020 1HG PRO2020 -13.910 -14.757 2.767 63 HG3 PRO2020 2HG PRO2020 -15.156 -13.894 1.793 64 HD2 PRO2020 1HD PRO2020 -12.614 -14.904 0.942 65 HD3 PRO2020 2HD PRO2020 -13.733 -13.922 -0.014 66 H ILE2021 H ILE2021 -11.064 -14.340 2.451 67 HA ILE2021 HA ILE2021 -9.492 -13.377 4.734 68 HB ILE2021 HB ILE2021 -9.026 -15.965 4.838 69 HG12 ILE2021 1HG1 ILE2021 -10.477 -16.166 2.675 70 HG13 ILE2021 2HG1 ILE2021 -10.589 -17.394 3.950 71 HG21 ILE2021 1HG2 ILE2021 -10.837 -16.174 6.458 72 HG22 ILE2021 2HG2 ILE2021 -10.026 -14.597 6.608 73 HG23 ILE2021 3HG2 ILE2021 -11.610 -14.710 5.805 74 HD11 ILE2021 3HD1 ILE2021 -12.424 -14.987 3.989 75 HD12 ILE2021 1HD1 ILE2021 -12.790 -16.369 2.930 76 HD13 ILE2021 2HD1 ILE2021 -12.680 -16.603 4.691 77 H LEU2022 H LEU2022 -7.945 -12.195 3.528 78 HA LEU2022 HA LEU2022 -5.764 -13.687 2.648 79 HB2 LEU2022 1HB LEU2022 -7.752 -13.593 0.724 80 HB3 LEU2022 2HB LEU2022 -6.609 -12.332 0.224 81 HG LEU2022 HG LEU2022 -6.121 -14.448 -0.867 82 HD11 LEU2022 1HD1 LEU2022 -3.935 -14.063 1.173 83 HD12 LEU2022 2HD1 LEU2022 -3.807 -14.468 -0.555 84 HD13 LEU2022 3HD1 LEU2022 -4.293 -12.828 -0.059 85 HD21 LEU2022 3HD2 LEU2022 -5.954 -15.546 1.945 86 HD22 LEU2022 1HD2 LEU2022 -7.013 -16.068 0.614 87 HD23 LEU2022 2HD2 LEU2022 -5.261 -16.372 0.530 88 H TRP2023 H TRP2023 -4.016 -12.204 1.762 89 HA TRP2023 HA TRP2023 -3.998 -9.844 3.320 90 HB2 TRP2023 1HB TRP2023 -2.156 -11.234 1.453 91 HB3 TRP2023 2HB TRP2023 -1.872 -9.517 1.741 92 HD1 TRP2023 HD TRP2023 -3.235 -11.170 4.818 93 HE1 TRP2023 1HE TRP2023 -1.381 -11.636 6.636 94 HE3 TRP2023 3HE TRP2023 0.730 -10.252 1.769 95 HZ2 TRP2023 2HZ TRP2023 1.473 -11.567 6.597 96 HZ3 TRP2023 3HZ TRP2023 3.016 -10.473 2.738 97 HH2 TRP2023 HH TRP2023 3.420 -11.106 5.064 98 H HIS2024 H HIS2024 -4.113 -10.532 -0.249 99 HA HIS2024 HA HIS2024 -4.195 -7.995 -1.178 100 HB2 HIS2024 1HB HIS2024 -6.023 -10.066 -2.341 101 HB3 HIS2024 2HB HIS2024 -5.019 -8.871 -3.169 102 HD1 HIS2024 1HD HIS2024 -5.044 -12.365 -1.935 103 HD2 HIS2024 2HD HIS2024 -2.194 -9.573 -3.237 104 HE1 HIS2024 1HE HIS2024 -2.916 -13.687 -2.420 105 HE2 HIS2024 2HE HIS2024 -1.190 -11.921 -3.213 106 H GLU2025 H GLU2025 -6.603 -9.678 0.742 107 HA GLU2025 HA GLU2025 -8.787 -8.102 -0.035 108 HB2 GLU2025 1HB GLU2025 -8.913 -10.340 1.088 109 HB3 GLU2025 2HB GLU2025 -8.364 -9.587 2.595 110 HG2 GLU2025 1HG GLU2025 -10.898 -9.885 2.306 111 HG3 GLU2025 2HG GLU2025 -10.355 -8.266 2.772 112 HE2 GLU2025 HE GLU2025 -11.572 -6.823 -0.080 113 H MET2026 H MET2026 -6.203 -7.792 2.419 114 HA MET2026 HA MET2026 -7.465 -5.654 3.762 115 HB2 MET2026 1HB MET2026 -5.530 -5.687 5.119 116 HB3 MET2026 2HB MET2026 -5.546 -7.347 4.502 117 HG2 MET2026 1HG MET2026 -3.339 -6.768 4.050 118 HG3 MET2026 2HG MET2026 -4.087 -6.253 2.536 119 HE1 MET2026 3HE MET2026 -1.529 -5.052 2.780 120 HE2 MET2026 1HE MET2026 -1.261 -3.632 3.819 121 HE3 MET2026 2HE MET2026 -1.378 -5.255 4.542 122 H TRP2027 H TRP2027 -5.286 -5.984 0.976 123 HA TRP2027 HA TRP2027 -4.377 -3.308 0.958 124 HB2 TRP2027 1HB TRP2027 -4.513 -5.445 -1.163 125 HB3 TRP2027 2HB TRP2027 -3.785 -3.859 -1.423 126 HD1 TRP2027 HD TRP2027 -3.265 -6.971 0.872 127 HE1 TRP2027 1HE TRP2027 -0.726 -7.206 1.555 128 HE3 TRP2027 3HE TRP2027 -1.726 -2.655 -1.334 129 HZ2 TRP2027 2HZ TRP2027 1.587 -5.597 1.104 130 HZ3 TRP2027 3HZ TRP2027 0.688 -2.060 -1.166 131 HH2 TRP2027 HH TRP2027 2.323 -3.453 0.001 132 H HIS2028 H HIS2028 -6.982 -5.122 -0.814 133 HA HIS2028 HA HIS2028 -7.925 -2.970 -2.260 134 HB2 HIS2028 1HB HIS2028 -8.643 -5.678 -1.754 135 HB3 HIS2028 2HB HIS2028 -10.100 -4.693 -1.572 136 HD1 HIS2028 1HD HIS2028 -11.325 -5.092 -3.731 137 HD2 HIS2028 2HD HIS2028 -7.266 -4.222 -4.332 138 HE1 HIS2028 1HE HIS2028 -11.004 -4.891 -6.254 139 HE2 HIS2028 2HE HIS2028 -8.485 -4.355 -6.571 140 H GLU2029 H GLU2029 -9.190 -4.317 0.875 141 HA GLU2029 HA GLU2029 -11.015 -2.258 1.227 142 HB2 GLU2029 1HB GLU2029 -11.198 -3.091 3.531 143 HB3 GLU2029 2HB GLU2029 -11.145 -4.444 2.388 144 HG2 GLU2029 1HG GLU2029 -9.570 -5.220 3.862 145 HG3 GLU2029 2HG GLU2029 -8.489 -4.196 2.907 146 HE2 GLU2029 HE GLU2029 -8.202 -3.443 6.498 147 H GLY2030 H GLY2030 -7.575 -2.645 2.144 148 HA2 GLY2030 2HA GLY2030 -7.331 -0.565 3.973 149 HA3 GLY2030 3HA GLY2030 -6.063 -1.184 2.933 150 H LEU2031 H LEU2031 -6.380 -0.473 0.460 151 HA LEU2031 HA LEU2031 -6.067 2.290 0.410 152 HB2 LEU2031 1HB LEU2031 -6.153 0.063 -1.491 153 HB3 LEU2031 2HB LEU2031 -6.631 1.627 -2.178 154 HG LEU2031 HG LEU2031 -3.993 0.784 -0.994 155 HD11 LEU2031 1HD1 LEU2031 -3.077 1.422 -3.082 156 HD12 LEU2031 2HD1 LEU2031 -4.543 0.478 -3.443 157 HD13 LEU2031 3HD1 LEU2031 -4.573 2.254 -3.572 158 HD21 LEU2031 3HD2 LEU2031 -3.453 3.338 -1.493 159 HD22 LEU2031 1HD2 LEU2031 -5.170 3.524 -1.062 160 HD23 LEU2031 2HD2 LEU2031 -4.037 2.784 0.095 161 H GLU2032 H GLU2032 -8.925 0.209 0.134 162 HA GLU2032 HA GLU2032 -10.616 1.913 -1.157 163 HB2 GLU2032 1HB GLU2032 -10.815 -0.439 0.557 164 HB3 GLU2032 2HB GLU2032 -12.190 0.648 0.811 165 HG2 GLU2032 1HG GLU2032 -11.264 -0.083 -1.980 166 HG3 GLU2032 2HG GLU2032 -12.336 -1.166 -1.079 167 HE2 GLU2032 HE GLU2032 -13.856 1.870 -2.955 168 H GLU2033 H GLU2033 -10.026 1.616 2.418 169 HA GLU2033 HA GLU2033 -11.706 3.800 2.987 170 HB2 GLU2033 1HB GLU2033 -11.377 2.113 4.663 171 HB3 GLU2033 2HB GLU2033 -9.616 2.305 4.620 172 HG2 GLU2033 1HG GLU2033 -9.666 4.157 5.960 173 HG3 GLU2033 2HG GLU2033 -11.142 4.793 5.217 174 HE2 GLU2033 HE GLU2033 -12.823 3.867 8.039 175 H ALA2034 H ALA2034 -8.116 3.339 2.808 176 HA ALA2034 HA ALA2034 -7.371 5.879 3.583 177 HB1 ALA2034 3HB ALA2034 -5.316 5.351 2.158 178 HB2 ALA2034 1HB ALA2034 -5.739 4.142 3.392 179 HB3 ALA2034 2HB ALA2034 -6.146 3.850 1.684 180 H SER2035 H SER2035 -8.180 4.599 0.291 181 HA SER2035 HA SER2035 -7.653 6.956 -1.041 182 HB2 SER2035 1HB SER2035 -8.839 5.990 -2.888 183 HB3 SER2035 2HB SER2035 -8.041 4.650 -2.042 184 HG SER2035 HG SER2035 -10.826 5.429 -1.927 185 H ARG2036 H ARG2036 -10.638 5.698 0.548 186 HA ARG2036 HA ARG2036 -12.348 7.640 -0.368 187 HB2 ARG2036 1HB ARG2036 -13.030 5.554 0.816 188 HB3 ARG2036 2HB ARG2036 -12.390 6.204 2.334 189 HG2 ARG2036 1HG ARG2036 -14.328 7.286 2.701 190 HG3 ARG2036 2HG ARG2036 -14.166 8.162 1.169 191 HD2 ARG2036 1HD ARG2036 -15.713 6.844 0.151 192 HD3 ARG2036 2HD ARG2036 -15.005 5.357 0.797 193 HE ARG2036 HE ARG2036 -16.282 6.662 2.955 194 HH11 ARG2036 2HH2 ARG2036 -17.229 5.215 -0.138 195 HH12 ARG2036 1HH2 ARG2036 -18.818 4.791 0.407 196 H LEU2037 H LEU2037 -9.941 7.633 2.262 197 HA LEU2037 HA LEU2037 -10.924 9.959 3.552 198 HB2 LEU2037 1HB LEU2037 -8.253 8.566 3.619 199 HB3 LEU2037 2HB LEU2037 -8.712 9.907 4.682 200 HG LEU2037 HG LEU2037 -10.560 7.597 4.668 201 HD11 LEU2037 1HD1 LEU2037 -9.007 6.013 4.871 202 HD12 LEU2037 2HD1 LEU2037 -7.694 7.200 5.049 203 HD13 LEU2037 3HD1 LEU2037 -8.653 6.714 6.468 204 HD21 LEU2037 3HD2 LEU2037 -11.019 9.333 6.202 205 HD22 LEU2037 1HD2 LEU2037 -10.343 7.998 7.165 206 HD23 LEU2037 2HD2 LEU2037 -9.328 9.401 6.756 207 H TYR2038 H TYR2038 -8.469 9.280 1.005 208 HA TYR2038 HA TYR2038 -7.636 12.006 0.864 209 HB2 TYR2038 1HB TYR2038 -6.244 10.018 0.247 210 HB3 TYR2038 2HB TYR2038 -7.440 9.528 -0.957 211 HD1 TYR2038 2HD TYR2038 -5.219 12.430 -0.099 212 HD2 TYR2038 1HD TYR2038 -7.081 10.117 -3.180 213 HE1 TYR2038 2HE TYR2038 -3.978 13.771 -1.867 214 HE2 TYR2038 1HE TYR2038 -5.834 11.467 -4.936 215 HH TYR2038 HH TYR2038 -4.819 13.639 -5.149 216 H PHE2039 H PHE2039 -9.565 9.833 -1.326 217 HA PHE2039 HA PHE2039 -10.237 11.952 -3.063 218 HB2 PHE2039 1HB PHE2039 -11.350 9.161 -2.445 219 HB3 PHE2039 2HB PHE2039 -11.962 10.131 -3.788 220 HD1 PHE2039 1HD PHE2039 -9.605 11.238 -5.010 221 HD2 PHE2039 2HD PHE2039 -10.150 7.397 -3.291 222 HE1 PHE2039 1HE PHE2039 -7.788 10.323 -6.479 223 HE2 PHE2039 2HE PHE2039 -8.334 6.482 -4.763 224 HZ PHE2039 HZ PHE2039 -7.174 7.956 -6.338 225 H GLY2040 H GLY2040 -12.024 10.215 -0.429 226 HA2 GLY2040 2HA GLY2040 -14.403 11.743 -0.728 227 HA3 GLY2040 3HA GLY2040 -13.965 10.703 0.613 228 H GLU2041 H GLU2041 -11.863 11.710 1.886 229 HA GLU2041 HA GLU2041 -12.753 14.398 2.545 230 HB2 GLU2041 1HB GLU2041 -12.355 12.203 4.156 231 HB3 GLU2041 2HB GLU2041 -10.823 13.069 4.365 232 HG2 GLU2041 1HG GLU2041 -11.890 14.983 5.237 233 HG3 GLU2041 2HG GLU2041 -13.461 14.554 4.543 234 HE2 GLU2041 HE GLU2041 -12.250 12.884 7.984 235 H ARG2042 H ARG2042 -10.415 15.259 3.950 236 HA ARG2042 HA ARG2042 -8.463 15.265 1.792 237 HB2 ARG2042 1HB ARG2042 -9.995 17.460 2.740 238 HB3 ARG2042 2HB ARG2042 -8.363 17.714 3.381 239 HG2 ARG2042 1HG ARG2042 -8.796 18.731 1.103 240 HG3 ARG2042 2HG ARG2042 -7.405 17.633 1.156 241 HD2 ARG2042 1HD ARG2042 -8.344 16.327 -0.427 242 HD3 ARG2042 2HD ARG2042 -9.805 16.116 0.552 243 HE ARG2042 HE ARG2042 -10.096 18.654 -0.513 244 HH11 ARG2042 2HH2 ARG2042 -9.469 15.474 -1.947 245 HH12 ARG2042 1HH2 ARG2042 -10.255 15.856 -3.443 246 H ASN2043 H ASN2043 -8.817 13.745 4.449 247 HA ASN2043 HA ASN2043 -6.627 14.843 5.971 248 HB2 ASN2043 1HB ASN2043 -8.901 13.011 6.459 249 HB3 ASN2043 2HB ASN2043 -7.397 12.455 7.213 250 HD21 ASN2043 1HD2 ASN2043 -8.491 12.822 9.216 251 HD22 ASN2043 2HD2 ASN2043 -8.562 14.404 9.917 252 H VAL2044 H VAL2044 -4.736 14.297 4.747 253 HA VAL2044 HA VAL2044 -4.424 11.825 3.442 254 HB VAL2044 HB VAL2044 -2.667 14.124 4.209 255 HG11 VAL2044 1HG1 VAL2044 -1.748 11.401 3.293 256 HG12 VAL2044 2HG1 VAL2044 -0.845 12.867 2.846 257 HG13 VAL2044 3HG1 VAL2044 -1.074 12.452 4.562 258 HG21 VAL2044 3HG2 VAL2044 -2.690 14.643 1.966 259 HG22 VAL2044 1HG2 VAL2044 -2.916 12.952 1.460 260 HG23 VAL2044 2HG2 VAL2044 -4.284 13.871 2.134 261 H LYS2045 H LYS2045 -4.478 12.648 6.755 262 HA LYS2045 HA LYS2045 -2.463 10.851 7.647 263 HB2 LYS2045 1HB LYS2045 -3.707 11.205 9.861 264 HB3 LYS2045 2HB LYS2045 -2.921 12.605 9.114 265 HG2 LYS2045 1HG LYS2045 -5.731 12.121 8.270 266 HG3 LYS2045 2HG LYS2045 -5.535 12.556 9.976 267 HD2 LYS2045 1HD LYS2045 -3.966 14.175 8.027 268 HD3 LYS2045 2HD LYS2045 -5.726 14.376 7.935 269 HE2 LYS2045 1HE LYS2045 -5.863 15.224 10.118 270 HE3 LYS2045 2HE LYS2045 -4.348 14.468 10.630 271 HZ1 LYS2045 2HZ LYS2045 -3.209 16.267 9.919 272 HZ3 LYS2045 1HZ LYS2045 -4.630 17.057 9.823 273 H GLY2046 H GLY2046 -5.992 10.684 7.021 274 HA2 GLY2046 2HA GLY2046 -6.594 8.282 8.247 275 HA3 GLY2046 3HA GLY2046 -7.366 8.917 6.808 276 H MET2047 H MET2047 -5.576 8.817 4.789 277 HA MET2047 HA MET2047 -5.484 6.125 4.181 278 HB2 MET2047 1HB MET2047 -3.601 7.310 2.508 279 HB3 MET2047 2HB MET2047 -5.347 7.325 2.209 280 HG2 MET2047 1HG MET2047 -5.589 9.520 3.068 281 HG3 MET2047 2HG MET2047 -4.069 9.446 3.965 282 HE1 MET2047 3HE MET2047 -1.963 8.833 2.850 283 HE2 MET2047 1HE MET2047 -2.070 8.241 1.173 284 HE3 MET2047 2HE MET2047 -1.347 9.832 1.510 285 H PHE2048 H PHE2048 -2.863 8.407 5.215 286 HA PHE2048 HA PHE2048 -0.779 6.578 5.030 287 HB2 PHE2048 1HB PHE2048 -1.459 9.101 6.587 288 HB3 PHE2048 2HB PHE2048 0.039 8.256 6.990 289 HD1 PHE2048 1HD PHE2048 0.405 7.361 3.978 290 HD2 PHE2048 2HD PHE2048 -0.242 11.085 5.905 291 HE1 PHE2048 1HE PHE2048 1.560 8.541 2.088 292 HE2 PHE2048 2HE PHE2048 0.913 12.265 4.016 293 HZ PHE2048 HZ PHE2048 1.801 10.979 2.128 294 H GLU2049 H GLU2049 -3.018 7.384 7.751 295 HA GLU2049 HA GLU2049 -1.670 5.681 9.546 296 HB2 GLU2049 1HB GLU2049 -3.422 6.208 11.081 297 HB3 GLU2049 2HB GLU2049 -3.135 7.683 10.139 298 HG2 GLU2049 1HG GLU2049 -5.082 7.246 8.758 299 HG3 GLU2049 2HG GLU2049 -5.303 5.640 9.471 300 HE2 GLU2049 HE GLU2049 -7.237 6.894 11.977 301 H VAL2050 H VAL2050 -3.730 5.115 6.870 302 HA VAL2050 HA VAL2050 -4.962 2.748 7.976 303 HB VAL2050 HB VAL2050 -5.057 4.245 5.378 304 HG11 VAL2050 1HG1 VAL2050 -6.269 1.500 5.849 305 HG12 VAL2050 2HG1 VAL2050 -6.512 2.528 4.417 306 HG13 VAL2050 3HG1 VAL2050 -4.901 1.861 4.769 307 HG21 VAL2050 3HG2 VAL2050 -7.530 3.329 6.704 308 HG22 VAL2050 1HG2 VAL2050 -6.529 4.425 7.684 309 HG23 VAL2050 2HG2 VAL2050 -7.088 4.934 6.072 310 H LEU2051 H LEU2051 -2.406 3.650 5.585 311 HA LEU2051 HA LEU2051 -1.812 0.901 5.053 312 HB2 LEU2051 1HB LEU2051 0.060 3.090 4.350 313 HB3 LEU2051 2HB LEU2051 -0.445 1.673 3.412 314 HG LEU2051 HG LEU2051 -1.751 4.357 3.704 315 HD11 LEU2051 1HD1 LEU2051 -0.198 3.819 1.820 316 HD12 LEU2051 2HD1 LEU2051 -1.364 2.588 1.279 317 HD13 LEU2051 3HD1 LEU2051 -1.836 4.304 1.314 318 HD21 LEU2051 3HD2 LEU2051 -3.156 1.760 3.509 319 HD22 LEU2051 1HD2 LEU2051 -3.722 3.341 4.100 320 HD23 LEU2051 2HD2 LEU2051 -3.669 3.011 2.353 321 H GLU2052 H GLU2052 -0.424 3.589 7.008 322 HA GLU2052 HA GLU2052 1.924 2.660 7.739 323 HB2 GLU2052 1HB GLU2052 -0.120 4.314 8.951 324 HB3 GLU2052 2HB GLU2052 0.735 3.408 10.214 325 HG2 GLU2052 1HG GLU2052 2.175 5.191 10.041 326 HG3 GLU2052 2HG GLU2052 2.869 4.198 8.750 327 HE2 GLU2052 HE GLU2052 1.231 7.681 7.927 328 HA PRO2053 HA PRO2053 0.034 -0.442 10.787 329 HB2 PRO2053 1HB PRO2053 -2.662 -0.878 10.800 330 HB3 PRO2053 2HB PRO2053 -1.859 0.225 11.917 331 HG2 PRO2053 1HG PRO2053 -3.458 0.802 9.505 332 HG3 PRO2053 2HG PRO2053 -3.060 1.897 10.878 333 HD2 PRO2053 1HD PRO2053 -1.942 1.869 8.243 334 HD3 PRO2053 2HD PRO2053 -1.406 2.860 9.606 335 H LEU2054 H LEU2054 -2.016 -0.415 7.916 336 HA LEU2054 HA LEU2054 -2.238 -3.105 7.568 337 HB2 LEU2054 1HB LEU2054 -2.095 -0.787 5.686 338 HB3 LEU2054 2HB LEU2054 -2.239 -2.441 5.060 339 HG LEU2054 HG LEU2054 -4.178 -1.066 6.942 340 HD11 LEU2054 1HD1 LEU2054 -4.261 -0.072 4.732 341 HD12 LEU2054 2HD1 LEU2054 -4.405 -1.681 3.983 342 HD13 LEU2054 3HD1 LEU2054 -5.715 -1.060 5.016 343 HD21 LEU2054 3HD2 LEU2054 -5.090 -3.043 7.367 344 HD22 LEU2054 1HD2 LEU2054 -5.238 -3.393 5.628 345 HD23 LEU2054 2HD2 LEU2054 -3.745 -3.820 6.498 346 H HIS2055 H HIS2055 0.392 -0.966 6.262 347 HA HIS2055 HA HIS2055 1.857 -3.064 5.173 348 HB2 HIS2055 1HB HIS2055 2.701 -0.322 6.130 349 HB3 HIS2055 2HB HIS2055 3.739 -1.410 5.200 350 HD1 HIS2055 1HD HIS2055 2.652 1.477 4.274 351 HD2 HIS2055 2HD HIS2055 1.176 -2.261 3.073 352 HE1 HIS2055 1HE HIS2055 1.490 1.854 2.034 353 HE2 HIS2055 2HE HIS2055 0.596 -0.481 1.338 354 H ALA2056 H ALA2056 2.169 -1.340 8.353 355 HA ALA2056 HA ALA2056 4.333 -2.716 9.323 356 HB1 ALA2056 3HB ALA2056 2.028 -1.194 10.421 357 HB2 ALA2056 1HB ALA2056 2.832 -2.296 11.565 358 HB3 ALA2056 2HB ALA2056 3.770 -1.027 10.744 359 H MET2057 H MET2057 0.816 -3.574 9.528 360 HA MET2057 HA MET2057 1.039 -5.790 11.061 361 HB2 MET2057 1HB MET2057 -1.185 -5.785 10.564 362 HB3 MET2057 2HB MET2057 -0.886 -4.563 9.317 363 HG2 MET2057 1HG MET2057 -0.453 -6.335 7.659 364 HG3 MET2057 2HG MET2057 -0.629 -7.581 8.899 365 HE1 MET2057 3HE MET2057 -2.223 -6.349 5.989 366 HE2 MET2057 1HE MET2057 -2.280 -8.061 6.471 367 HE3 MET2057 2HE MET2057 -3.793 -7.150 6.244 368 H MET2058 H MET2058 1.618 -5.458 7.522 369 HA MET2058 HA MET2058 1.867 -8.190 7.040 370 HB2 MET2058 1HB MET2058 3.267 -5.893 5.583 371 HB3 MET2058 2HB MET2058 2.807 -7.456 4.888 372 HG2 MET2058 1HG MET2058 0.395 -6.481 5.889 373 HG3 MET2058 2HG MET2058 1.187 -5.012 5.312 374 HE1 MET2058 3HE MET2058 -0.979 -7.469 4.889 375 HE2 MET2058 1HE MET2058 -1.572 -6.988 3.281 376 HE3 MET2058 2HE MET2058 -0.632 -8.488 3.473 377 H GLU2059 H GLU2059 4.142 -5.689 8.192 378 HA GLU2059 HA GLU2059 6.424 -7.305 7.765 379 HB2 GLU2059 1HB GLU2059 6.262 -4.991 9.709 380 HB3 GLU2059 2HB GLU2059 7.653 -5.519 8.746 381 HG2 GLU2059 1HG GLU2059 5.184 -3.996 7.890 382 HG3 GLU2059 2HG GLU2059 6.884 -3.603 7.590 383 HE2 GLU2059 HE GLU2059 5.098 -5.168 4.680 384 H ARG2060 H ARG2060 4.800 -6.116 10.805 385 HA ARG2060 HA ARG2060 6.205 -7.982 12.362 386 HB2 ARG2060 1HB ARG2060 4.722 -7.201 14.197 387 HB3 ARG2060 2HB ARG2060 5.368 -5.829 13.278 388 HG2 ARG2060 1HG ARG2060 3.280 -5.573 12.077 389 HG3 ARG2060 2HG ARG2060 2.637 -7.084 12.747 390 HD2 ARG2060 1HD ARG2060 3.534 -5.046 14.733 391 HD3 ARG2060 2HD ARG2060 2.107 -4.604 13.783 392 HE ARG2060 HE ARG2060 1.651 -7.235 14.629 393 HH11 ARG2060 2HH2 ARG2060 2.266 -4.135 16.234 394 HH12 ARG2060 1HH2 ARG2060 1.373 -4.554 17.657 395 H GLY2061 H GLY2061 3.628 -8.326 10.191 396 HA2 GLY2061 2HA GLY2061 2.635 -10.726 11.607 397 HA3 GLY2061 3HA GLY2061 1.591 -9.651 10.699 398 HA PRO2062 HA PRO2062 4.358 -11.795 7.506 399 HB2 PRO2062 1HB PRO2062 6.262 -13.578 8.315 400 HB3 PRO2062 2HB PRO2062 6.613 -11.887 7.973 401 HG2 PRO2062 1HG PRO2062 6.327 -13.275 10.559 402 HG3 PRO2062 2HG PRO2062 7.140 -11.708 10.210 403 HD2 PRO2062 1HD PRO2062 4.596 -12.157 11.447 404 HD3 PRO2062 2HD PRO2062 5.282 -10.595 10.982 405 H GLN2063 H GLN2063 5.151 -14.441 7.031 406 HA GLN2063 HA GLN2063 3.091 -16.029 8.219 407 HB2 GLN2063 1HB GLN2063 2.673 -14.758 5.665 408 HB3 GLN2063 2HB GLN2063 2.774 -16.511 5.417 409 HG2 GLN2063 1HG GLN2063 0.787 -16.871 6.458 410 HG3 GLN2063 2HG GLN2063 1.160 -15.752 7.776 411 HE21 GLN2063 1HE2 GLN2063 -0.717 -16.343 5.091 412 HE22 GLN2063 2HE2 GLN2063 -1.346 -14.758 4.784 413 H THR2064 H THR2064 4.956 -16.180 5.100 414 HA THR2064 HA THR2064 6.875 -17.989 6.216 415 HB THR2064 HB THR2064 6.108 -19.829 4.519 416 HG1 THR2064 1HG THR2064 4.534 -18.476 3.442 417 HG21 THR2064 3HG2 THR2064 4.717 -20.882 6.125 418 HG22 THR2064 1HG2 THR2064 5.663 -19.765 7.136 419 HG23 THR2064 2HG2 THR2064 4.003 -19.338 6.652 420 H LEU2065 H LEU2065 8.224 -18.963 4.251 421 HA LEU2065 HA LEU2065 9.387 -16.795 3.010 422 HB2 LEU2065 1HB LEU2065 9.911 -19.457 3.326 423 HB3 LEU2065 2HB LEU2065 9.654 -19.334 1.576 424 HG LEU2065 HG LEU2065 12.034 -19.133 2.377 425 HD11 LEU2065 1HD1 LEU2065 12.426 -18.110 0.443 426 HD12 LEU2065 2HD1 LEU2065 10.678 -17.801 0.323 427 HD13 LEU2065 3HD1 LEU2065 11.750 -16.577 1.044 428 HD21 LEU2065 3HD2 LEU2065 11.898 -16.317 3.034 429 HD22 LEU2065 1HD2 LEU2065 10.934 -17.286 4.176 430 HD23 LEU2065 2HD2 LEU2065 12.657 -17.662 3.920 431 H LYS2066 H LYS2066 6.520 -18.658 2.157 432 HA LYS2066 HA LYS2066 6.505 -17.863 -0.578 433 HB2 LYS2066 1HB LYS2066 4.634 -19.261 1.291 434 HB3 LYS2066 2HB LYS2066 4.011 -18.643 -0.247 435 HG2 LYS2066 1HG LYS2066 6.585 -20.087 -0.470 436 HG3 LYS2066 2HG LYS2066 5.252 -21.098 0.115 437 HD2 LYS2066 1HD LYS2066 3.978 -19.854 -1.912 438 HD3 LYS2066 2HD LYS2066 5.631 -19.751 -2.545 439 HE2 LYS2066 1HE LYS2066 5.304 -21.855 -3.311 440 HE3 LYS2066 2HE LYS2066 5.450 -22.388 -1.630 441 HZ1 LYS2066 2HZ LYS2066 2.885 -21.580 -2.891 442 HZ3 LYS2066 1HZ LYS2066 3.061 -22.240 -1.411 443 H GLU2067 H GLU2067 4.827 -16.770 2.439 444 HA GLU2067 HA GLU2067 3.422 -14.748 1.108 445 HB2 GLU2067 1HB GLU2067 3.600 -15.839 3.743 446 HB3 GLU2067 2HB GLU2067 3.813 -14.086 3.888 447 HG2 GLU2067 1HG GLU2067 1.509 -15.585 2.579 448 HG3 GLU2067 2HG GLU2067 1.435 -14.578 4.034 449 HE2 GLU2067 HE GLU2067 0.229 -12.540 1.336 450 H THR2068 H THR2068 6.606 -14.936 2.736 451 HA THR2068 HA THR2068 7.147 -12.232 2.987 452 HB THR2068 HB THR2068 9.518 -13.036 3.023 453 HG1 THR2068 1HG THR2068 9.871 -14.814 1.756 454 HG21 THR2068 3HG2 THR2068 8.963 -13.848 5.094 455 HG22 THR2068 1HG2 THR2068 7.338 -14.315 4.539 456 HG23 THR2068 2HG2 THR2068 8.713 -15.422 4.305 457 H SER2069 H SER2069 7.277 -14.353 0.113 458 HA SER2069 HA SER2069 8.770 -12.746 -1.501 459 HB2 SER2069 1HB SER2069 7.318 -15.085 -1.771 460 HB3 SER2069 2HB SER2069 6.450 -13.987 -2.858 461 HG SER2069 HG SER2069 9.273 -13.929 -3.030 462 H PHE2070 H PHE2070 5.318 -12.528 -0.559 463 HA PHE2070 HA PHE2070 4.671 -10.535 -2.469 464 HB2 PHE2070 1HB PHE2070 3.019 -12.048 -1.400 465 HB3 PHE2070 2HB PHE2070 3.486 -11.482 0.207 466 HD1 PHE2070 2HD PHE2070 2.833 -9.214 0.942 467 HD2 PHE2070 1HD PHE2070 1.485 -10.823 -2.746 468 HE1 PHE2070 2HE PHE2070 1.036 -7.464 0.834 469 HE2 PHE2070 1HE PHE2070 -0.311 -9.074 -2.853 470 HZ PHE2070 HZ PHE2070 -0.515 -7.415 -1.061 471 H ASN2071 H ASN2071 5.287 -10.470 1.115 472 HA ASN2071 HA ASN2071 5.033 -7.720 1.313 473 HB2 ASN2071 1HB ASN2071 4.938 -9.182 3.279 474 HB3 ASN2071 2HB ASN2071 6.599 -9.729 3.011 475 HD21 ASN2071 1HD2 ASN2071 8.225 -8.646 3.881 476 HD22 ASN2071 2HD2 ASN2071 8.121 -7.129 4.710 477 H GLN2072 H GLN2072 7.668 -9.900 0.340 478 HA GLN2072 HA GLN2072 9.704 -7.950 0.680 479 HB2 GLN2072 1HB GLN2072 9.555 -10.705 -0.556 480 HB3 GLN2072 2HB GLN2072 11.012 -9.714 -0.748 481 HG2 GLN2072 1HG GLN2072 10.495 -9.477 1.960 482 HG3 GLN2072 2HG GLN2072 9.973 -11.138 1.640 483 HE21 GLN2072 1HE2 GLN2072 11.631 -12.076 2.749 484 HE22 GLN2072 2HE2 GLN2072 13.279 -12.076 2.218 485 H ALA2073 H ALA2073 7.982 -9.453 -2.141 486 HA ALA2073 HA ALA2073 9.215 -8.248 -4.207 487 HB1 ALA2073 3HB ALA2073 7.447 -9.821 -4.571 488 HB2 ALA2073 1HB ALA2073 6.267 -8.798 -3.715 489 HB3 ALA2073 2HB ALA2073 6.908 -8.287 -5.294 490 H TYR2074 H TYR2074 6.567 -6.811 -2.183 491 HA TYR2074 HA TYR2074 7.062 -4.242 -3.466 492 HB2 TYR2074 1HB TYR2074 5.096 -5.173 -1.289 493 HB3 TYR2074 2HB TYR2074 4.948 -3.689 -2.236 494 HD1 TYR2074 1HD TYR2074 5.367 -4.557 -4.979 495 HD2 TYR2074 2HD TYR2074 3.305 -6.548 -1.803 496 HE1 TYR2074 1HE TYR2074 3.947 -5.809 -6.676 497 HE2 TYR2074 2HE TYR2074 1.893 -7.792 -3.510 498 HH TYR2074 HH TYR2074 2.698 -7.970 -6.731 499 H GLY2075 H GLY2075 8.015 -6.056 -0.681 500 HA2 GLY2075 2HA GLY2075 8.133 -4.450 1.444 501 HA3 GLY2075 3HA GLY2075 9.484 -5.447 0.943 502 H ARG2076 H ARG2076 10.393 -4.227 -1.397 503 HA ARG2076 HA ARG2076 11.736 -2.030 -0.287 504 HB2 ARG2076 1HB ARG2076 12.110 -3.802 -2.436 505 HB3 ARG2076 2HB ARG2076 11.905 -2.227 -3.223 506 HG2 ARG2076 1HG ARG2076 13.990 -3.111 -1.217 507 HG3 ARG2076 2HG ARG2076 14.237 -2.358 -2.801 508 HD2 ARG2076 1HD ARG2076 12.882 -0.355 -1.641 509 HD3 ARG2076 2HD ARG2076 13.505 -1.098 -0.161 510 HE ARG2076 HE ARG2076 15.069 0.249 -2.272 511 HH11 ARG2076 2HH2 ARG2076 15.158 -1.818 0.605 512 HH12 ARG2076 1HH2 ARG2076 16.827 -1.492 0.939 513 H ASP2077 H ASP2077 9.188 -2.462 -2.824 514 HA ASP2077 HA ASP2077 9.068 0.098 -3.723 515 HB2 ASP2077 1HB ASP2077 6.977 -2.059 -3.339 516 HB3 ASP2077 2HB ASP2077 6.522 -0.494 -4.028 517 HD2 ASP2077 HD ASP2077 8.019 -3.260 -6.312 518 H LEU2078 H LEU2078 7.129 -1.494 -1.074 519 HA LEU2078 HA LEU2078 5.698 0.735 -0.294 520 HB2 LEU2078 1HB LEU2078 6.638 -1.676 1.243 521 HB3 LEU2078 2HB LEU2078 5.494 -0.485 1.885 522 HG LEU2078 HG LEU2078 5.123 -2.400 -0.424 523 HD11 LEU2078 1HD1 LEU2078 2.995 -2.307 1.521 524 HD12 LEU2078 2HD1 LEU2078 4.026 -3.672 1.024 525 HD13 LEU2078 3HD1 LEU2078 4.559 -2.580 2.325 526 HD21 LEU2078 3HD2 LEU2078 2.873 -1.382 -0.722 527 HD22 LEU2078 1HD2 LEU2078 3.367 -0.061 0.365 528 HD23 LEU2078 2HD2 LEU2078 4.216 -0.306 -1.181 529 H MET2079 H MET2079 9.047 -0.266 0.413 530 HA MET2079 HA MET2079 9.437 1.472 2.548 531 HB2 MET2079 1HB MET2079 10.858 -0.529 1.530 532 HB3 MET2079 2HB MET2079 11.627 0.743 0.564 533 HG2 MET2079 1HG MET2079 12.958 0.412 2.568 534 HG3 MET2079 2HG MET2079 12.134 1.963 2.733 535 HE1 MET2079 3HE MET2079 10.904 -1.842 3.230 536 HE2 MET2079 1HE MET2079 12.568 -1.622 3.818 537 HE3 MET2079 2HE MET2079 11.252 -1.942 4.972 538 H GLU2080 H GLU2080 10.029 1.821 -1.007 539 HA GLU2080 HA GLU2080 11.223 4.305 -0.853 540 HB2 GLU2080 1HB GLU2080 11.287 2.871 -2.845 541 HB3 GLU2080 2HB GLU2080 9.548 3.094 -3.096 542 HG2 GLU2080 1HG GLU2080 9.808 5.241 -3.893 543 HG3 GLU2080 2HG GLU2080 11.211 5.580 -2.867 544 HE2 GLU2080 HE GLU2080 11.705 4.377 -6.576 545 H ALA2081 H ALA2081 7.763 3.423 -1.555 546 HA ALA2081 HA ALA2081 6.776 5.976 -1.794 547 HB1 ALA2081 3HB ALA2081 5.398 3.572 -0.533 548 HB2 ALA2081 1HB ALA2081 4.616 4.958 -1.330 549 HB3 ALA2081 2HB ALA2081 5.595 3.819 -2.285 550 H GLN2082 H GLN2082 7.449 4.014 1.149 551 HA GLN2082 HA GLN2082 6.202 5.695 2.941 552 HB2 GLN2082 1HB GLN2082 7.301 3.315 3.190 553 HB3 GLN2082 2HB GLN2082 8.745 4.229 3.669 554 HG2 GLN2082 1HG GLN2082 7.806 4.111 5.745 555 HG3 GLN2082 2HG GLN2082 6.829 5.478 5.184 556 HE21 GLN2082 1HE2 GLN2082 5.297 4.737 6.762 557 HE22 GLN2082 2HE2 GLN2082 4.180 3.467 6.386 558 H GLU2083 H GLU2083 9.539 5.720 1.574 559 HA GLU2083 HA GLU2083 10.532 7.697 3.228 560 HB2 GLU2083 1HB GLU2083 12.382 7.165 2.085 561 HB3 GLU2083 2HB GLU2083 11.410 6.186 0.973 562 HG2 GLU2083 1HG GLU2083 11.020 8.140 -0.452 563 HG3 GLU2083 2HG GLU2083 11.859 9.195 0.695 564 HE2 GLU2083 HE GLU2083 15.015 8.048 -0.249 565 H TRP2084 H TRP2084 8.617 7.830 0.201 566 HA TRP2084 HA TRP2084 8.965 10.624 -0.173 567 HB2 TRP2084 1HB TRP2084 6.970 8.643 -1.271 568 HB3 TRP2084 2HB TRP2084 7.057 10.335 -1.765 569 HD1 TRP2084 HD TRP2084 8.683 6.979 -2.416 570 HE1 TRP2084 1HE TRP2084 10.580 7.125 -4.245 571 HE3 TRP2084 3HE TRP2084 8.881 12.058 -2.560 572 HZ2 TRP2084 2HZ TRP2084 11.920 9.300 -5.517 573 HZ3 TRP2084 3HZ TRP2084 10.511 13.113 -4.122 574 HH2 TRP2084 HH TRP2084 11.997 11.820 -5.568 575 H CYS2085 H CYS2085 6.819 8.488 1.696 576 HA CYS2085 HA CYS2085 4.785 10.360 2.140 577 HB2 CYS2085 1HB CYS2085 5.653 7.912 3.685 578 HB3 CYS2085 2HB CYS2085 4.206 8.856 4.082 579 HG CYS2085 HG CYS2085 4.761 6.608 1.945 580 H ARG2086 H ARG2086 7.530 9.207 4.245 581 HA ARG2086 HA ARG2086 7.140 10.987 6.257 582 HB2 ARG2086 1HB ARG2086 9.608 9.606 5.165 583 HB3 ARG2086 2HB ARG2086 9.743 10.689 6.563 584 HG2 ARG2086 1HG ARG2086 9.267 8.822 7.766 585 HG3 ARG2086 2HG ARG2086 7.586 9.124 7.286 586 HD2 ARG2086 1HD ARG2086 7.591 7.410 5.729 587 HD3 ARG2086 2HD ARG2086 9.314 7.585 5.364 588 HE ARG2086 HE ARG2086 8.173 5.758 7.236 589 HH11 ARG2086 2HH2 ARG2086 10.886 8.027 7.022 590 HH12 ARG2086 1HH2 ARG2086 11.871 7.149 8.145 591 H LYS2087 H LYS2087 9.072 11.316 3.219 592 HA LYS2087 HA LYS2087 10.240 13.772 3.820 593 HB2 LYS2087 1HB LYS2087 11.156 12.506 2.075 594 HB3 LYS2087 2HB LYS2087 9.601 12.340 1.239 595 HG2 LYS2087 1HG LYS2087 10.317 15.147 1.651 596 HG3 LYS2087 2HG LYS2087 11.588 14.289 0.765 597 HD2 LYS2087 1HD LYS2087 8.935 13.548 -0.203 598 HD3 LYS2087 2HD LYS2087 9.159 15.304 -0.275 599 HE2 LYS2087 1HE LYS2087 11.356 13.486 -1.262 600 HE3 LYS2087 2HE LYS2087 9.938 13.746 -2.291 601 HZ1 LYS2087 2HZ LYS2087 11.961 15.360 -2.438 602 HZ3 LYS2087 1HZ LYS2087 11.315 16.071 -1.123 603 H TYR2088 H TYR2088 7.030 12.880 2.507 604 HA TYR2088 HA TYR2088 6.345 15.576 1.864 605 HB2 TYR2088 1HB TYR2088 5.206 13.837 0.674 606 HB3 TYR2088 2HB TYR2088 5.074 12.816 2.111 607 HD1 TYR2088 1HD TYR2088 3.363 13.429 3.882 608 HD2 TYR2088 2HD TYR2088 3.459 15.297 0.033 609 HE1 TYR2088 1HE TYR2088 0.971 14.226 4.200 610 HE2 TYR2088 2HE TYR2088 1.065 16.087 0.366 611 HH TYR2088 HH TYR2088 -0.826 15.627 1.591 612 H MET2089 H MET2089 5.593 13.277 4.561 613 HA MET2089 HA MET2089 3.800 14.888 5.864 614 HB2 MET2089 1HB MET2089 5.835 12.822 6.815 615 HB3 MET2089 2HB MET2089 4.662 13.543 7.932 616 HG2 MET2089 1HG MET2089 2.930 12.799 6.035 617 HG3 MET2089 2HG MET2089 4.207 11.655 5.618 618 HE1 MET2089 3HE MET2089 1.030 11.412 8.490 619 HE2 MET2089 1HE MET2089 1.260 12.018 6.834 620 HE3 MET2089 2HE MET2089 1.216 10.265 7.142 621 H LYS2090 H LYS2090 7.354 15.007 5.748 622 HA LYS2090 HA LYS2090 7.394 16.982 7.887 623 HB2 LYS2090 1HB LYS2090 9.070 14.925 7.281 624 HB3 LYS2090 2HB LYS2090 9.913 16.284 6.517 625 HG2 LYS2090 1HG LYS2090 8.816 16.610 9.305 626 HG3 LYS2090 2HG LYS2090 10.312 15.688 9.086 627 HD2 LYS2090 1HD LYS2090 11.483 17.552 8.263 628 HD3 LYS2090 2HD LYS2090 10.006 18.410 7.792 629 HE2 LYS2090 1HE LYS2090 9.697 19.276 9.889 630 HE3 LYS2090 2HE LYS2090 10.255 17.805 10.703 631 HZ1 LYS2090 2HZ LYS2090 12.314 18.678 10.854 632 HZ3 LYS2090 1HZ LYS2090 11.694 20.114 10.404 633 H SER2091 H SER2091 8.507 16.618 4.446 634 HA SER2091 HA SER2091 9.059 19.350 4.208 635 HB2 SER2091 1HB SER2091 9.970 17.427 2.802 636 HB3 SER2091 2HB SER2091 8.424 17.424 1.936 637 HG SER2091 HG SER2091 9.033 19.904 1.767 638 H GLY2092 H GLY2092 6.453 17.336 2.637 639 HA2 GLY2092 2HA GLY2092 4.187 17.877 2.635 640 HA3 GLY2092 3HA GLY2092 4.563 19.537 3.051 641 H ASN2093 H ASN2093 4.225 17.178 0.445 642 HA ASN2093 HA ASN2093 3.881 19.289 -1.400 643 HB2 ASN2093 1HB ASN2093 6.510 18.225 -1.155 644 HB3 ASN2093 2HB ASN2093 5.849 17.510 -2.632 645 HD21 ASN2093 1HD2 ASN2093 7.326 20.164 -1.220 646 HD22 ASN2093 2HD2 ASN2093 7.119 21.341 -2.475 647 H VAL2094 H VAL2094 2.053 18.480 -2.438 648 HA VAL2094 HA VAL2094 1.171 15.897 -2.310 649 HB VAL2094 HB VAL2094 0.010 18.059 -3.027 650 HG11 VAL2094 1HG1 VAL2094 1.321 18.807 -4.851 651 HG12 VAL2094 2HG1 VAL2094 1.262 17.217 -5.651 652 HG13 VAL2094 3HG1 VAL2094 -0.203 18.225 -5.568 653 HG21 VAL2094 3HG2 VAL2094 -0.540 15.305 -3.554 654 HG22 VAL2094 1HG2 VAL2094 -1.688 16.640 -3.296 655 HG23 VAL2094 2HG2 VAL2094 -1.122 16.260 -4.940 656 H LYS2095 H LYS2095 3.435 17.424 -4.628 657 HA LYS2095 HA LYS2095 3.472 15.529 -6.596 658 HB2 LYS2095 1HB LYS2095 4.661 17.724 -6.547 659 HB3 LYS2095 2HB LYS2095 5.895 16.989 -5.509 660 HG2 LYS2095 1HG LYS2095 6.050 15.172 -7.376 661 HG3 LYS2095 2HG LYS2095 5.197 16.346 -8.394 662 HD2 LYS2095 1HD LYS2095 7.090 17.528 -8.709 663 HD3 LYS2095 2HD LYS2095 7.385 17.639 -6.964 664 HE2 LYS2095 1HE LYS2095 8.763 15.773 -6.950 665 HE3 LYS2095 2HE LYS2095 7.945 15.009 -8.322 666 HZ1 LYS2095 2HZ LYS2095 10.157 16.863 -8.323 667 HZ3 LYS2095 1HZ LYS2095 9.013 17.239 -9.420 668 H ASP2096 H ASP2096 5.322 15.545 -3.480 669 HA ASP2096 HA ASP2096 6.547 13.090 -4.028 670 HB2 ASP2096 1HB ASP2096 5.962 14.340 -1.310 671 HB3 ASP2096 2HB ASP2096 7.230 13.158 -1.668 672 HD2 ASP2096 HD ASP2096 8.190 16.846 -1.687 673 H LEU2097 H LEU2097 3.486 14.158 -2.527 674 HA LEU2097 HA LEU2097 2.872 11.760 -1.193 675 HB2 LEU2097 1HB LEU2097 1.925 14.119 -0.924 676 HB3 LEU2097 2HB LEU2097 0.856 13.709 -2.276 677 HG LEU2097 HG LEU2097 1.001 12.399 0.447 678 HD11 LEU2097 1HD1 LEU2097 -1.033 13.365 0.925 679 HD12 LEU2097 2HD1 LEU2097 -0.262 14.640 -0.050 680 HD13 LEU2097 3HD1 LEU2097 -1.470 13.563 -0.790 681 HD21 LEU2097 3HD2 LEU2097 0.578 10.525 -0.797 682 HD22 LEU2097 1HD2 LEU2097 -1.079 11.139 -0.580 683 HD23 LEU2097 2HD2 LEU2097 -0.214 11.432 -2.109 684 H THR2098 H THR2098 1.990 13.057 -4.459 685 HA THR2098 HA THR2098 0.435 10.850 -5.209 686 HB THR2098 HB THR2098 1.990 13.009 -6.716 687 HG1 THR2098 1HG THR2098 -0.109 13.904 -6.659 688 HG21 THR2098 3HG2 THR2098 -0.276 11.467 -7.972 689 HG22 THR2098 1HG2 THR2098 1.092 12.296 -8.754 690 HG23 THR2098 2HG2 THR2098 1.333 10.704 -7.990 691 H GLN2099 H GLN2099 3.936 11.575 -5.777 692 HA GLN2099 HA GLN2099 4.498 9.402 -7.293 693 HB2 GLN2099 1HB GLN2099 5.967 11.292 -5.617 694 HB3 GLN2099 2HB GLN2099 6.756 9.706 -5.646 695 HG2 GLN2099 1HG GLN2099 7.403 11.413 -7.481 696 HG3 GLN2099 2HG GLN2099 7.032 9.764 -8.007 697 HE21 GLN2099 1HE2 GLN2099 5.848 9.678 -9.743 698 HE22 GLN2099 2HE2 GLN2099 4.607 10.780 -10.235 699 H ALA2100 H ALA2100 4.578 9.657 -3.672 700 HA ALA2100 HA ALA2100 5.387 7.045 -3.190 701 HB1 ALA2100 3HB ALA2100 5.078 9.183 -1.660 702 HB2 ALA2100 1HB ALA2100 3.470 8.479 -1.362 703 HB3 ALA2100 2HB ALA2100 4.937 7.550 -0.966 704 H TRP2101 H TRP2101 2.115 8.492 -3.670 705 HA TRP2101 HA TRP2101 0.678 6.169 -3.060 706 HB2 TRP2101 1HB TRP2101 0.135 8.807 -3.801 707 HB3 TRP2101 2HB TRP2101 -0.606 7.817 -5.058 708 HD1 TRP2101 HD TRP2101 -1.237 9.037 -1.579 709 HE1 TRP2101 1HE TRP2101 -3.385 7.965 -0.487 710 HE3 TRP2101 3HE TRP2101 -1.836 5.393 -5.074 711 HZ2 TRP2101 2HZ TRP2101 -5.059 5.764 -1.191 712 HZ3 TRP2101 3HZ TRP2101 -3.753 3.823 -4.798 713 HH2 TRP2101 HH TRP2101 -5.334 3.965 -2.939 714 H ASP2102 H ASP2102 2.171 7.475 -6.070 715 HA ASP2102 HA ASP2102 1.079 5.772 -7.871 716 HB2 ASP2102 1HB ASP2102 3.246 7.599 -7.746 717 HB3 ASP2102 2HB ASP2102 3.935 6.098 -8.385 718 HD2 ASP2102 HD ASP2102 2.959 7.131 -11.472 719 H LEU2103 H LEU2103 4.029 5.370 -5.789 720 HA LEU2103 HA LEU2103 4.806 2.888 -6.777 721 HB2 LEU2103 1HB LEU2103 5.272 4.424 -4.260 722 HB3 LEU2103 2HB LEU2103 5.845 2.753 -4.390 723 HG LEU2103 HG LEU2103 6.943 3.633 -6.615 724 HD11 LEU2103 1HD1 LEU2103 7.703 5.997 -6.372 725 HD12 LEU2103 2HD1 LEU2103 5.960 5.818 -6.687 726 HD13 LEU2103 3HD1 LEU2103 6.534 6.189 -5.043 727 HD21 LEU2103 3HD2 LEU2103 8.195 2.730 -4.749 728 HD22 LEU2103 1HD2 LEU2103 8.986 4.206 -5.353 729 HD23 LEU2103 2HD2 LEU2103 8.027 4.259 -3.854 730 H TYR2104 H TYR2104 2.818 3.720 -3.853 731 HA TYR2104 HA TYR2104 2.275 1.130 -3.080 732 HB2 TYR2104 1HB TYR2104 0.801 3.816 -3.031 733 HB3 TYR2104 2HB TYR2104 0.107 2.408 -2.224 734 HD1 TYR2104 1HD TYR2104 2.646 1.196 -1.126 735 HD2 TYR2104 2HD TYR2104 1.260 5.241 -1.215 736 HE1 TYR2104 1HE TYR2104 4.029 1.723 0.943 737 HE2 TYR2104 2HE TYR2104 2.647 5.756 0.852 738 HH TYR2104 HH TYR2104 3.746 4.827 2.556 739 H TYR2105 H TYR2105 0.193 3.320 -5.110 740 HA TYR2105 HA TYR2105 -1.831 1.577 -5.633 741 HB2 TYR2105 1HB TYR2105 -1.076 4.089 -6.359 742 HB3 TYR2105 2HB TYR2105 -0.575 3.265 -7.839 743 HD1 TYR2105 2HD TYR2105 -2.912 1.182 -7.695 744 HD2 TYR2105 1HD TYR2105 -2.756 5.449 -7.428 745 HE1 TYR2105 2HE TYR2105 -5.297 1.330 -8.560 746 HE2 TYR2105 1HE TYR2105 -5.144 5.582 -8.293 747 HH TYR2105 HH TYR2105 -6.805 4.482 -9.161 748 H HIS2106 H HIS2106 1.382 1.802 -7.261 749 HA HIS2106 HA HIS2106 0.829 0.072 -9.343 750 HB2 HIS2106 1HB HIS2106 2.833 1.600 -8.946 751 HB3 HIS2106 2HB HIS2106 3.509 0.294 -7.965 752 HD1 HIS2106 1HD HIS2106 2.692 -2.124 -9.778 753 HD2 HIS2106 2HD HIS2106 4.436 1.429 -11.167 754 HE1 HIS2106 1HE HIS2106 3.807 -2.697 -12.001 755 HE2 HIS2106 2HE HIS2106 4.869 -0.475 -12.812 756 H VAL2107 H VAL2107 2.021 -0.570 -5.992 757 HA VAL2107 HA VAL2107 2.223 -3.372 -6.440 758 HB VAL2107 HB VAL2107 3.163 -3.412 -4.408 759 HG11 VAL2107 1HG1 VAL2107 3.113 -0.418 -4.269 760 HG12 VAL2107 2HG1 VAL2107 4.469 -1.552 -4.058 761 HG13 VAL2107 3HG1 VAL2107 3.855 -1.193 -5.689 762 HG21 VAL2107 3HG2 VAL2107 1.145 -1.393 -3.368 763 HG22 VAL2107 1HG2 VAL2107 0.993 -3.162 -3.247 764 HG23 VAL2107 2HG2 VAL2107 2.313 -2.322 -2.398 765 H PHE2108 H PHE2108 -0.244 -1.121 -5.115 766 HA PHE2108 HA PHE2108 -1.945 -3.146 -4.159 767 HB2 PHE2108 1HB PHE2108 -1.970 -0.206 -4.834 768 HB3 PHE2108 2HB PHE2108 -3.558 -0.974 -4.723 769 HD1 PHE2108 1HD PHE2108 -4.281 -1.971 -2.571 770 HD2 PHE2108 2HD PHE2108 -0.675 0.241 -2.897 771 HE1 PHE2108 1HE PHE2108 -4.214 -1.713 -0.076 772 HE2 PHE2108 2HE PHE2108 -0.608 0.499 -0.400 773 HZ PHE2108 HZ PHE2108 -2.377 -0.481 0.980 774 H ARG2109 H ARG2109 -1.423 -1.653 -7.345 775 HA ARG2109 HA ARG2109 -3.888 -2.591 -8.369 776 HB2 ARG2109 1HB ARG2109 -2.212 -0.636 -9.147 777 HB3 ARG2109 2HB ARG2109 -1.578 -1.920 -10.190 778 HG2 ARG2109 1HG ARG2109 -3.489 -2.004 -11.466 779 HG3 ARG2109 2HG ARG2109 -4.557 -1.615 -10.106 780 HD2 ARG2109 1HD ARG2109 -4.411 0.640 -10.485 781 HD3 ARG2109 2HD ARG2109 -2.699 0.570 -10.925 782 HE ARG2109 HE ARG2109 -4.999 0.363 -12.727 783 HH11 ARG2109 2HH2 ARG2109 -1.565 -0.412 -12.331 784 HH12 ARG2109 1HH2 ARG2109 -1.265 -0.518 -14.032 785 H ARG2110 H ARG2110 -0.472 -3.680 -8.275 786 HA ARG2110 HA ARG2110 -0.708 -5.653 -10.203 787 HB2 ARG2110 1HB ARG2110 1.225 -4.784 -8.192 788 HB3 ARG2110 2HB ARG2110 1.199 -6.553 -8.295 789 HG2 ARG2110 1HG ARG2110 1.422 -4.719 -10.714 790 HG3 ARG2110 2HG ARG2110 2.834 -5.385 -9.871 791 HD2 ARG2110 1HD ARG2110 1.892 -7.693 -10.296 792 HD3 ARG2110 2HD ARG2110 0.620 -6.952 -11.280 793 HE ARG2110 HE ARG2110 3.327 -6.155 -12.063 794 HH11 ARG2110 2HH2 ARG2110 0.803 -8.602 -12.502 795 HH12 ARG2110 1HH2 ARG2110 1.396 -9.117 -14.045 796 H ILE2111 H ILE2111 -0.937 -5.768 -6.575 797 HA ILE2111 HA ILE2111 -1.291 -8.423 -6.191 798 HB ILE2111 HB ILE2111 -2.768 -7.704 -4.256 799 HG12 ILE2111 1HG1 ILE2111 -2.067 -4.947 -5.287 800 HG13 ILE2111 2HG1 ILE2111 -3.685 -5.671 -5.300 801 HG21 ILE2111 1HG2 ILE2111 -0.151 -7.892 -4.436 802 HG22 ILE2111 2HG2 ILE2111 -0.225 -6.125 -4.237 803 HG23 ILE2111 3HG2 ILE2111 -0.922 -7.190 -2.994 804 HD11 ILE2111 3HD1 ILE2111 -1.979 -4.928 -2.888 805 HD12 ILE2111 1HD1 ILE2111 -3.564 -4.262 -3.349 806 HD13 ILE2111 2HD1 ILE2111 -3.439 -5.938 -2.762 807 H SER2112 H SER2112 -3.685 -6.033 -7.405 808 HA SER2112 HA SER2112 -5.748 -7.988 -7.418 809 HB2 SER2112 1HB SER2112 -6.052 -5.479 -7.126 810 HB3 SER2112 2HB SER2112 -5.714 -5.305 -8.858 811 HG SER2112 HG SER2112 -7.742 -5.841 -9.243 812 H LYS2113 H LYS2113 -3.743 -6.249 -9.900 813 HA LYS2113 HA LYS2113 -4.751 -7.209 -12.189 814 HB2 LYS2113 1HB LYS2113 -2.384 -5.980 -11.349 815 HB3 LYS2113 2HB LYS2113 -1.860 -7.398 -12.272 816 HG2 LYS2113 1HG LYS2113 -2.218 -6.127 -14.109 817 HG3 LYS2113 2HG LYS2113 -3.948 -6.385 -13.817 818 HD2 LYS2113 1HD LYS2113 -3.359 -4.311 -12.082 819 HD3 LYS2113 2HD LYS2113 -2.294 -3.950 -13.452 820 HE2 LYS2113 1HE LYS2113 -5.045 -4.752 -14.210 821 HE3 LYS2113 2HE LYS2113 -4.967 -3.247 -13.284 822 HZ1 LYS2113 2HZ LYS2113 -4.459 -3.512 -15.961 823 HZ3 LYS2113 1HZ LYS2113 -2.965 -3.368 -15.326 824 H GLN2114 H GLN2114 -5.378 -9.190 -12.839 825 HA GLN2114 HA GLN2114 -4.616 -11.478 -11.474 826 HB2 GLN2114 1HB GLN2114 -5.898 -12.676 -13.112 827 HB3 GLN2114 2HB GLN2114 -6.721 -11.129 -12.851 828 HG2 GLN2114 1HG GLN2114 -5.092 -10.407 -14.881 829 HG3 GLN2114 2HG GLN2114 -5.218 -12.133 -15.252 830 HE21 GLN2114 1HE2 GLN2114 -6.180 -10.819 -17.163 831 HE22 GLN2114 2HE2 GLN2114 -7.904 -10.650 -17.171 Start of MODEL 22 1 H MET2014 H MET2014 -16.444 0.434 5.283 2 HA MET2014 HA MET2014 -16.723 -0.728 3.424 3 HB2 MET2014 1HB MET2014 -14.971 1.654 2.815 4 HB3 MET2014 2HB MET2014 -15.318 0.539 1.479 5 HG2 MET2014 1HG MET2014 -17.250 1.703 1.204 6 HG3 MET2014 2HG MET2014 -17.820 0.926 2.684 7 HE1 MET2014 3HE MET2014 -17.341 2.530 5.357 8 HE2 MET2014 1HE MET2014 -18.651 3.597 4.796 9 HE3 MET2014 2HE MET2014 -18.640 1.880 4.326 10 H GLU2015 H GLU2015 -15.804 -2.800 3.879 11 HA GLU2015 HA GLU2015 -13.063 -3.269 3.640 12 HB2 GLU2015 1HB GLU2015 -13.926 -5.731 3.434 13 HB3 GLU2015 2HB GLU2015 -14.207 -4.848 4.946 14 HG2 GLU2015 1HG GLU2015 -16.486 -4.536 4.482 15 HG3 GLU2015 2HG GLU2015 -16.274 -4.744 2.737 16 HE2 GLU2015 HE GLU2015 -17.063 -7.841 5.049 17 H LEU2016 H LEU2016 -15.831 -3.471 1.364 18 HA LEU2016 HA LEU2016 -15.814 -3.390 -0.864 19 HB2 LEU2016 1HB LEU2016 -13.256 -2.540 -0.292 20 HB3 LEU2016 2HB LEU2016 -12.997 -3.887 -1.412 21 HG LEU2016 HG LEU2016 -13.073 -1.871 -2.676 22 HD11 LEU2016 1HD1 LEU2016 -14.298 -2.753 -4.313 23 HD12 LEU2016 2HD1 LEU2016 -14.778 -4.009 -3.146 24 HD13 LEU2016 3HD1 LEU2016 -15.809 -2.579 -3.389 25 HD21 LEU2016 3HD2 LEU2016 -14.239 -0.064 -2.120 26 HD22 LEU2016 1HD2 LEU2016 -15.778 -0.959 -2.178 27 HD23 LEU2016 2HD2 LEU2016 -14.808 -0.949 -0.684 28 H ILE2017 H ILE2017 -16.774 -5.128 -1.750 29 HA ILE2017 HA ILE2017 -16.586 -7.669 -0.971 30 HB ILE2017 HB ILE2017 -16.874 -6.889 -3.870 31 HG12 ILE2017 1HG1 ILE2017 -18.276 -5.352 -2.861 32 HG13 ILE2017 2HG1 ILE2017 -19.364 -6.712 -3.194 33 HG21 ILE2017 1HG2 ILE2017 -17.080 -9.138 -3.963 34 HG22 ILE2017 2HG2 ILE2017 -17.505 -9.286 -2.240 35 HG23 ILE2017 3HG2 ILE2017 -18.737 -8.779 -3.421 36 HD11 ILE2017 3HD1 ILE2017 -18.094 -5.918 -0.542 37 HD12 ILE2017 1HD1 ILE2017 -19.825 -6.008 -0.943 38 HD13 ILE2017 2HD1 ILE2017 -18.867 -7.501 -0.797 39 H ARG2018 H ARG2018 -14.949 -9.076 -0.695 40 HA ARG2018 HA ARG2018 -13.277 -9.786 -2.754 41 HB2 ARG2018 1HB ARG2018 -12.310 -7.472 -2.197 42 HB3 ARG2018 2HB ARG2018 -11.789 -8.152 -0.645 43 HG2 ARG2018 1HG ARG2018 -10.006 -9.140 -1.613 44 HG3 ARG2018 2HG ARG2018 -11.017 -9.902 -2.853 45 HD2 ARG2018 1HD ARG2018 -10.670 -6.998 -3.247 46 HD3 ARG2018 2HD ARG2018 -9.136 -7.881 -3.284 47 HE ARG2018 HE ARG2018 -11.275 -9.113 -4.876 48 HH11 ARG2018 2HH2 ARG2018 -8.609 -6.779 -4.908 49 HH12 ARG2018 1HH2 ARG2018 -8.407 -6.845 -6.627 50 H VAL2019 H VAL2019 -11.732 -11.512 -2.053 51 HA VAL2019 HA VAL2019 -12.687 -13.288 -0.311 52 HB VAL2019 HB VAL2019 -10.916 -13.885 -1.723 53 HG11 VAL2019 1HG1 VAL2019 -8.946 -12.770 -2.056 54 HG12 VAL2019 2HG1 VAL2019 -9.938 -11.411 -1.472 55 HG13 VAL2019 3HG1 VAL2019 -8.824 -12.244 -0.359 56 HG21 VAL2019 3HG2 VAL2019 -10.763 -15.260 0.168 57 HG22 VAL2019 1HG2 VAL2019 -9.096 -14.680 -0.068 58 HG23 VAL2019 2HG2 VAL2019 -10.123 -13.949 1.190 59 HA PRO2020 HA PRO2020 -12.264 -11.543 3.635 60 HB2 PRO2020 1HB PRO2020 -12.879 -13.740 5.139 61 HB3 PRO2020 2HB PRO2020 -14.099 -12.698 4.410 62 HG2 PRO2020 1HG PRO2020 -13.147 -15.366 3.587 63 HG3 PRO2020 2HG PRO2020 -14.684 -14.538 3.148 64 HD2 PRO2020 1HD PRO2020 -12.343 -14.909 1.543 65 HD3 PRO2020 2HD PRO2020 -13.770 -13.950 1.123 66 H ILE2021 H ILE2021 -10.979 -14.842 3.652 67 HA ILE2021 HA ILE2021 -8.817 -13.899 5.323 68 HB ILE2021 HB ILE2021 -8.186 -16.383 5.142 69 HG12 ILE2021 1HG1 ILE2021 -9.945 -16.483 3.126 70 HG13 ILE2021 2HG1 ILE2021 -9.546 -17.885 4.131 71 HG21 ILE2021 1HG2 ILE2021 -10.670 -15.335 6.505 72 HG22 ILE2021 2HG2 ILE2021 -10.036 -16.975 6.783 73 HG23 ILE2021 3HG2 ILE2021 -9.037 -15.555 7.178 74 HD11 ILE2021 3HD1 ILE2021 -11.560 -17.756 5.327 75 HD12 ILE2021 1HD1 ILE2021 -11.770 -16.022 4.981 76 HD13 ILE2021 2HD1 ILE2021 -12.072 -17.226 3.707 77 H LEU2022 H LEU2022 -7.595 -12.507 4.006 78 HA LEU2022 HA LEU2022 -5.650 -13.744 2.437 79 HB2 LEU2022 1HB LEU2022 -8.040 -13.435 1.055 80 HB3 LEU2022 2HB LEU2022 -7.032 -12.085 0.504 81 HG LEU2022 HG LEU2022 -5.241 -13.748 -0.045 82 HD11 LEU2022 1HD1 LEU2022 -5.948 -15.534 1.483 83 HD12 LEU2022 2HD1 LEU2022 -7.406 -15.798 0.496 84 HD13 LEU2022 3HD1 LEU2022 -5.796 -16.114 -0.194 85 HD21 LEU2022 3HD2 LEU2022 -6.121 -14.291 -2.148 86 HD22 LEU2022 1HD2 LEU2022 -7.784 -14.415 -1.522 87 HD23 LEU2022 2HD2 LEU2022 -7.000 -12.822 -1.657 88 H TRP2023 H TRP2023 -4.052 -12.169 1.658 89 HA TRP2023 HA TRP2023 -3.980 -9.905 3.399 90 HB2 TRP2023 1HB TRP2023 -2.151 -11.312 1.564 91 HB3 TRP2023 2HB TRP2023 -1.867 -9.577 1.735 92 HD1 TRP2023 HD TRP2023 -3.166 -11.226 4.887 93 HE1 TRP2023 1HE TRP2023 -1.288 -11.495 6.722 94 HE3 TRP2023 3HE TRP2023 0.721 -10.031 1.835 95 HZ2 TRP2023 2HZ TRP2023 1.549 -11.185 6.690 96 HZ3 TRP2023 3HZ TRP2023 3.012 -10.038 2.816 97 HH2 TRP2023 HH TRP2023 3.458 -10.589 5.156 98 H HIS2024 H HIS2024 -4.274 -10.526 -0.160 99 HA HIS2024 HA HIS2024 -4.249 -7.974 -1.067 100 HB2 HIS2024 1HB HIS2024 -6.227 -9.967 -2.137 101 HB3 HIS2024 2HB HIS2024 -5.256 -8.779 -3.017 102 HD1 HIS2024 1HD HIS2024 -5.151 -12.241 -1.565 103 HD2 HIS2024 2HD HIS2024 -2.579 -9.588 -3.551 104 HE1 HIS2024 1HE HIS2024 -3.125 -13.613 -2.283 105 HE2 HIS2024 2HE HIS2024 -1.567 -11.932 -3.498 106 H GLU2025 H GLU2025 -6.610 -9.514 1.002 107 HA GLU2025 HA GLU2025 -8.770 -7.855 0.336 108 HB2 GLU2025 1HB GLU2025 -9.112 -9.990 1.445 109 HB3 GLU2025 2HB GLU2025 -8.157 -9.474 2.846 110 HG2 GLU2025 1HG GLU2025 -10.308 -7.583 2.234 111 HG3 GLU2025 2HG GLU2025 -10.944 -9.213 2.507 112 HE2 GLU2025 HE GLU2025 -8.772 -7.617 5.495 113 H MET2026 H MET2026 -6.004 -7.607 2.582 114 HA MET2026 HA MET2026 -7.105 -5.357 3.925 115 HB2 MET2026 1HB MET2026 -5.164 -5.505 5.260 116 HB3 MET2026 2HB MET2026 -5.308 -7.176 4.688 117 HG2 MET2026 1HG MET2026 -3.071 -6.765 4.201 118 HG3 MET2026 2HG MET2026 -3.800 -6.253 2.676 119 HE1 MET2026 3HE MET2026 -1.037 -5.116 4.983 120 HE2 MET2026 1HE MET2026 -1.122 -5.529 3.254 121 HE3 MET2026 2HE MET2026 -0.773 -3.857 3.752 122 H TRP2027 H TRP2027 -5.019 -5.957 1.115 123 HA TRP2027 HA TRP2027 -3.941 -3.330 0.998 124 HB2 TRP2027 1HB TRP2027 -4.144 -5.566 -1.015 125 HB3 TRP2027 2HB TRP2027 -3.331 -4.034 -1.336 126 HD1 TRP2027 HD TRP2027 -3.014 -7.063 1.099 127 HE1 TRP2027 1HE TRP2027 -0.507 -7.393 1.855 128 HE3 TRP2027 3HE TRP2027 -1.220 -2.917 -1.234 129 HZ2 TRP2027 2HZ TRP2027 1.892 -5.912 1.402 130 HZ3 TRP2027 3HZ TRP2027 1.217 -2.432 -1.028 131 HH2 TRP2027 HH TRP2027 2.756 -3.850 0.234 132 H HIS2028 H HIS2028 -6.683 -5.105 -0.572 133 HA HIS2028 HA HIS2028 -7.477 -2.944 -2.164 134 HB2 HIS2028 1HB HIS2028 -8.235 -5.632 -1.712 135 HB3 HIS2028 2HB HIS2028 -9.691 -4.650 -1.499 136 HD1 HIS2028 1HD HIS2028 -10.927 -5.009 -3.660 137 HD2 HIS2028 2HD HIS2028 -6.874 -4.108 -4.264 138 HE1 HIS2028 1HE HIS2028 -10.620 -4.746 -6.179 139 HE2 HIS2028 2HE HIS2028 -8.105 -4.194 -6.499 140 H GLU2029 H GLU2029 -8.917 -4.266 0.906 141 HA GLU2029 HA GLU2029 -10.679 -2.149 1.197 142 HB2 GLU2029 1HB GLU2029 -11.075 -3.016 3.418 143 HB3 GLU2029 2HB GLU2029 -10.834 -4.393 2.330 144 HG2 GLU2029 1HG GLU2029 -9.408 -5.054 4.002 145 HG3 GLU2029 2HG GLU2029 -8.268 -4.016 3.133 146 HE2 GLU2029 HE GLU2029 -9.616 -2.993 6.733 147 H GLY2030 H GLY2030 -7.290 -2.647 2.241 148 HA2 GLY2030 2HA GLY2030 -7.078 -0.563 4.088 149 HA3 GLY2030 3HA GLY2030 -5.776 -1.254 3.142 150 H LEU2031 H LEU2031 -5.894 -0.570 0.646 151 HA LEU2031 HA LEU2031 -5.474 2.184 0.586 152 HB2 LEU2031 1HB LEU2031 -4.888 0.044 -0.985 153 HB3 LEU2031 2HB LEU2031 -6.096 0.884 -1.972 154 HG LEU2031 HG LEU2031 -4.751 2.892 -1.990 155 HD11 LEU2031 1HD1 LEU2031 -3.560 3.288 -0.134 156 HD12 LEU2031 2HD1 LEU2031 -3.355 1.559 0.230 157 HD13 LEU2031 3HD1 LEU2031 -2.282 2.353 -0.948 158 HD21 LEU2031 3HD2 LEU2031 -2.506 1.213 -2.654 159 HD22 LEU2031 1HD2 LEU2031 -4.024 0.448 -3.186 160 HD23 LEU2031 2HD2 LEU2031 -3.620 2.096 -3.724 161 H GLU2032 H GLU2032 -8.365 0.189 0.123 162 HA GLU2032 HA GLU2032 -9.890 1.918 -1.338 163 HB2 GLU2032 1HB GLU2032 -10.323 -0.369 0.452 164 HB3 GLU2032 2HB GLU2032 -11.693 0.755 0.454 165 HG2 GLU2032 1HG GLU2032 -10.391 -0.437 -2.030 166 HG3 GLU2032 2HG GLU2032 -11.890 -1.029 -1.301 167 HE2 GLU2032 HE GLU2032 -12.304 1.591 -3.988 168 H GLU2033 H GLU2033 -9.610 1.666 2.278 169 HA GLU2033 HA GLU2033 -11.285 3.863 2.715 170 HB2 GLU2033 1HB GLU2033 -10.564 1.928 4.304 171 HB3 GLU2033 2HB GLU2033 -9.159 2.945 4.672 172 HG2 GLU2033 1HG GLU2033 -10.737 4.807 5.268 173 HG3 GLU2033 2HG GLU2033 -12.099 3.708 5.000 174 HE2 GLU2033 HE GLU2033 -10.872 3.785 8.535 175 H ALA2034 H ALA2034 -7.677 3.454 2.767 176 HA ALA2034 HA ALA2034 -7.036 6.052 3.450 177 HB1 ALA2034 3HB ALA2034 -5.417 4.242 3.457 178 HB2 ALA2034 1HB ALA2034 -5.599 4.018 1.701 179 HB3 ALA2034 2HB ALA2034 -4.854 5.504 2.336 180 H SER2035 H SER2035 -7.592 4.559 0.197 181 HA SER2035 HA SER2035 -6.967 6.786 -1.272 182 HB2 SER2035 1HB SER2035 -7.245 4.655 -2.342 183 HB3 SER2035 2HB SER2035 -8.925 4.514 -1.790 184 HG SER2035 HG SER2035 -7.959 5.628 -4.076 185 H ARG2036 H ARG2036 -10.031 5.793 0.336 186 HA ARG2036 HA ARG2036 -11.626 7.725 -0.822 187 HB2 ARG2036 1HB ARG2036 -11.936 5.645 1.016 188 HB3 ARG2036 2HB ARG2036 -12.325 7.080 1.980 189 HG2 ARG2036 1HG ARG2036 -14.070 7.727 0.472 190 HG3 ARG2036 2HG ARG2036 -13.534 6.584 -0.771 191 HD2 ARG2036 1HD ARG2036 -14.175 4.692 0.676 192 HD3 ARG2036 2HD ARG2036 -14.640 5.806 1.971 193 HE ARG2036 HE ARG2036 -16.650 6.201 0.838 194 HH11 ARG2036 2HH2 ARG2036 -14.340 4.760 -1.428 195 HH12 ARG2036 1HH2 ARG2036 -15.504 4.586 -2.698 196 H LEU2037 H LEU2037 -9.395 7.762 1.972 197 HA LEU2037 HA LEU2037 -10.322 10.218 3.036 198 HB2 LEU2037 1HB LEU2037 -7.746 8.694 3.376 199 HB3 LEU2037 2HB LEU2037 -8.196 10.127 4.316 200 HG LEU2037 HG LEU2037 -10.204 7.975 4.344 201 HD11 LEU2037 1HD1 LEU2037 -7.391 7.339 4.875 202 HD12 LEU2037 2HD1 LEU2037 -8.483 6.952 6.225 203 HD13 LEU2037 3HD1 LEU2037 -8.787 6.268 4.610 204 HD21 LEU2037 3HD2 LEU2037 -10.648 9.651 5.858 205 HD22 LEU2037 1HD2 LEU2037 -9.817 8.461 6.888 206 HD23 LEU2037 2HD2 LEU2037 -8.934 9.882 6.278 207 H TYR2038 H TYR2038 -7.923 9.243 0.572 208 HA TYR2038 HA TYR2038 -6.888 11.924 0.357 209 HB2 TYR2038 1HB TYR2038 -5.582 9.778 0.004 210 HB3 TYR2038 2HB TYR2038 -6.664 9.348 -1.324 211 HD1 TYR2038 1HD TYR2038 -4.318 12.069 -0.247 212 HD2 TYR2038 2HD TYR2038 -6.036 9.891 -3.502 213 HE1 TYR2038 1HE TYR2038 -2.784 13.278 -1.875 214 HE2 TYR2038 2HE TYR2038 -4.497 11.107 -5.120 215 HH TYR2038 HH TYR2038 -1.813 12.799 -4.123 216 H PHE2039 H PHE2039 -8.710 9.646 -1.820 217 HA PHE2039 HA PHE2039 -9.220 11.714 -3.699 218 HB2 PHE2039 1HB PHE2039 -10.177 8.870 -3.121 219 HB3 PHE2039 2HB PHE2039 -10.898 9.788 -4.447 220 HD1 PHE2039 2HD PHE2039 -7.761 8.304 -3.187 221 HD2 PHE2039 1HD PHE2039 -9.745 10.050 -6.506 222 HE1 PHE2039 2HE PHE2039 -5.887 7.574 -4.690 223 HE2 PHE2039 1HE PHE2039 -7.873 9.320 -8.010 224 HZ PHE2039 HZ PHE2039 -5.965 8.091 -7.084 225 H GLY2040 H GLY2040 -11.180 9.997 -1.180 226 HA2 GLY2040 2HA GLY2040 -13.566 11.452 -1.748 227 HA3 GLY2040 3HA GLY2040 -13.238 10.434 -0.359 228 H GLU2041 H GLU2041 -11.506 11.426 1.252 229 HA GLU2041 HA GLU2041 -12.453 14.110 1.755 230 HB2 GLU2041 1HB GLU2041 -11.864 11.843 3.373 231 HB3 GLU2041 2HB GLU2041 -10.700 13.100 3.827 232 HG2 GLU2041 1HG GLU2041 -12.595 14.702 4.110 233 HG3 GLU2041 2HG GLU2041 -13.737 13.411 3.713 234 HE2 GLU2041 HE GLU2041 -13.400 11.863 6.796 235 H ARG2042 H ARG2042 -10.330 15.117 3.338 236 HA ARG2042 HA ARG2042 -8.169 15.180 1.388 237 HB2 ARG2042 1HB ARG2042 -9.886 17.305 2.121 238 HB3 ARG2042 2HB ARG2042 -8.367 17.640 2.970 239 HG2 ARG2042 1HG ARG2042 -8.489 18.653 0.678 240 HG3 ARG2042 2HG ARG2042 -7.119 17.543 0.870 241 HD2 ARG2042 1HD ARG2042 -7.884 16.255 -0.819 242 HD3 ARG2042 2HD ARG2042 -9.457 16.066 -0.030 243 HE ARG2042 HE ARG2042 -8.777 17.923 -2.185 244 HH11 ARG2042 2HH2 ARG2042 -11.000 17.342 0.511 245 HH12 ARG2042 1HH2 ARG2042 -12.256 18.337 -0.145 246 H ASN2043 H ASN2043 -8.659 13.619 3.964 247 HA ASN2043 HA ASN2043 -6.616 14.821 5.638 248 HB2 ASN2043 1HB ASN2043 -8.991 13.127 6.086 249 HB3 ASN2043 2HB ASN2043 -7.567 12.509 6.936 250 HD21 ASN2043 1HD2 ASN2043 -9.463 13.226 8.532 251 HD22 ASN2043 2HD2 ASN2043 -9.214 14.763 9.288 252 H VAL2044 H VAL2044 -4.668 14.149 4.573 253 HA VAL2044 HA VAL2044 -4.328 11.625 3.415 254 HB VAL2044 HB VAL2044 -2.611 13.917 4.227 255 HG11 VAL2044 1HG1 VAL2044 -0.563 12.710 3.536 256 HG12 VAL2044 2HG1 VAL2044 -1.284 12.035 5.016 257 HG13 VAL2044 3HG1 VAL2044 -1.498 11.197 3.461 258 HG21 VAL2044 3HG2 VAL2044 -2.132 14.060 1.916 259 HG22 VAL2044 1HG2 VAL2044 -2.677 12.392 1.613 260 HG23 VAL2044 2HG2 VAL2044 -3.862 13.658 2.013 261 H LYS2045 H LYS2045 -4.297 12.746 6.736 262 HA LYS2045 HA LYS2045 -2.577 10.894 7.870 263 HB2 LYS2045 1HB LYS2045 -4.080 11.268 9.913 264 HB3 LYS2045 2HB LYS2045 -3.234 12.668 9.230 265 HG2 LYS2045 1HG LYS2045 -5.921 12.102 8.083 266 HG3 LYS2045 2HG LYS2045 -5.924 12.600 9.784 267 HD2 LYS2045 1HD LYS2045 -4.125 14.215 8.098 268 HD3 LYS2045 2HD LYS2045 -5.813 14.300 7.567 269 HE2 LYS2045 1HE LYS2045 -6.522 15.283 9.560 270 HE3 LYS2045 2HE LYS2045 -5.208 14.579 10.511 271 HZ1 LYS2045 2HZ LYS2045 -4.130 16.511 10.217 272 HZ3 LYS2045 1HZ LYS2045 -5.289 17.099 9.237 273 H GLY2046 H GLY2046 -5.969 10.620 6.768 274 HA2 GLY2046 2HA GLY2046 -6.750 8.287 7.988 275 HA3 GLY2046 3HA GLY2046 -7.243 8.805 6.390 276 H MET2047 H MET2047 -4.951 8.666 4.849 277 HA MET2047 HA MET2047 -4.773 5.926 4.406 278 HB2 MET2047 1HB MET2047 -4.449 7.433 2.562 279 HB3 MET2047 2HB MET2047 -3.224 8.372 3.432 280 HG2 MET2047 1HG MET2047 -2.727 5.445 2.870 281 HG3 MET2047 2HG MET2047 -2.520 6.610 1.559 282 HE1 MET2047 3HE MET2047 0.190 8.990 2.859 283 HE2 MET2047 1HE MET2047 -1.185 8.726 1.760 284 HE3 MET2047 2HE MET2047 -1.474 9.252 3.434 285 H PHE2048 H PHE2048 -2.331 8.303 5.676 286 HA PHE2048 HA PHE2048 -0.258 6.568 6.062 287 HB2 PHE2048 1HB PHE2048 -1.360 9.090 7.313 288 HB3 PHE2048 2HB PHE2048 -0.065 8.285 8.206 289 HD1 PHE2048 2HD PHE2048 -0.939 10.110 5.155 290 HD2 PHE2048 1HD PHE2048 2.188 8.223 7.317 291 HE1 PHE2048 2HE PHE2048 0.756 11.223 3.677 292 HE2 PHE2048 1HE PHE2048 3.883 9.337 5.838 293 HZ PHE2048 HZ PHE2048 3.146 10.825 4.035 294 H GLU2049 H GLU2049 -2.997 7.327 8.312 295 HA GLU2049 HA GLU2049 -1.993 5.582 10.290 296 HB2 GLU2049 1HB GLU2049 -4.102 6.037 11.447 297 HB3 GLU2049 2HB GLU2049 -3.427 7.548 10.806 298 HG2 GLU2049 1HG GLU2049 -5.668 7.716 10.172 299 HG3 GLU2049 2HG GLU2049 -4.957 7.002 8.716 300 HE2 GLU2049 HE GLU2049 -7.826 4.997 9.420 301 H VAL2050 H VAL2050 -3.631 5.119 7.305 302 HA VAL2050 HA VAL2050 -5.004 2.719 8.165 303 HB VAL2050 HB VAL2050 -4.832 4.364 5.668 304 HG11 VAL2050 1HG1 VAL2050 -6.181 2.652 4.472 305 HG12 VAL2050 2HG1 VAL2050 -4.527 2.104 4.837 306 HG13 VAL2050 3HG1 VAL2050 -5.894 1.522 5.817 307 HG21 VAL2050 3HG2 VAL2050 -6.560 4.394 7.762 308 HG22 VAL2050 1HG2 VAL2050 -6.988 4.901 6.110 309 HG23 VAL2050 2HG2 VAL2050 -7.395 3.261 6.673 310 H LEU2051 H LEU2051 -2.158 3.739 6.200 311 HA LEU2051 HA LEU2051 -1.511 1.023 5.554 312 HB2 LEU2051 1HB LEU2051 0.398 3.291 5.271 313 HB3 LEU2051 2HB LEU2051 0.136 1.891 4.218 314 HG LEU2051 HG LEU2051 -1.306 4.512 4.344 315 HD11 LEU2051 1HD1 LEU2051 0.555 3.801 2.685 316 HD12 LEU2051 2HD1 LEU2051 -0.733 2.855 1.900 317 HD13 LEU2051 3HD1 LEU2051 -0.898 4.620 2.063 318 HD21 LEU2051 3HD2 LEU2051 -2.657 1.956 4.176 319 HD22 LEU2051 1HD2 LEU2051 -3.330 3.601 4.260 320 HD23 LEU2051 2HD2 LEU2051 -2.883 2.902 2.687 321 H GLU2052 H GLU2052 -0.480 3.522 7.920 322 HA GLU2052 HA GLU2052 1.776 2.501 8.877 323 HB2 GLU2052 1HB GLU2052 -0.417 4.106 9.928 324 HB3 GLU2052 2HB GLU2052 0.327 3.147 11.217 325 HG2 GLU2052 1HG GLU2052 2.524 4.052 10.690 326 HG3 GLU2052 2HG GLU2052 1.904 4.866 9.247 327 HE2 GLU2052 HE GLU2052 1.744 7.592 11.373 328 HA PRO2053 HA PRO2053 -0.595 -0.711 11.436 329 HB2 PRO2053 1HB PRO2053 -3.270 -1.076 11.027 330 HB3 PRO2053 2HB PRO2053 -2.624 -0.060 12.313 331 HG2 PRO2053 1HG PRO2053 -3.836 0.690 9.730 332 HG3 PRO2053 2HG PRO2053 -3.628 1.699 11.208 333 HD2 PRO2053 1HD PRO2053 -2.131 1.786 8.769 334 HD3 PRO2053 2HD PRO2053 -1.787 2.687 10.252 335 H LEU2054 H LEU2054 -2.153 -0.454 8.285 336 HA LEU2054 HA LEU2054 -2.377 -3.127 7.759 337 HB2 LEU2054 1HB LEU2054 -1.888 -0.732 6.026 338 HB3 LEU2054 2HB LEU2054 -2.055 -2.354 5.329 339 HG LEU2054 HG LEU2054 -4.141 -1.034 7.084 340 HD11 LEU2054 1HD1 LEU2054 -4.061 -1.163 4.057 341 HD12 LEU2054 2HD1 LEU2054 -5.380 -0.509 5.057 342 HD13 LEU2054 3HD1 LEU2054 -3.789 0.293 5.046 343 HD21 LEU2054 3HD2 LEU2054 -4.968 -3.102 5.177 344 HD22 LEU2054 1HD2 LEU2054 -3.841 -3.686 6.426 345 HD23 LEU2054 2HD2 LEU2054 -5.363 -2.895 6.901 346 H HIS2055 H HIS2055 0.442 -0.967 6.984 347 HA HIS2055 HA HIS2055 2.026 -3.012 5.979 348 HB2 HIS2055 1HB HIS2055 2.715 -0.353 7.237 349 HB3 HIS2055 2HB HIS2055 3.910 -1.402 6.467 350 HD1 HIS2055 1HD HIS2055 3.265 1.476 5.410 351 HD2 HIS2055 2HD HIS2055 1.545 -2.057 3.944 352 HE1 HIS2055 1HE HIS2055 2.479 1.994 3.038 353 HE2 HIS2055 2HE HIS2055 1.425 -0.216 2.181 354 H ALA2056 H ALA2056 1.861 -1.553 9.296 355 HA ALA2056 HA ALA2056 3.840 -3.072 10.459 356 HB1 ALA2056 3HB ALA2056 1.229 -2.092 11.686 357 HB2 ALA2056 1HB ALA2056 2.717 -2.510 12.569 358 HB3 ALA2056 2HB ALA2056 2.698 -1.109 11.468 359 H MET2057 H MET2057 0.297 -3.777 10.127 360 HA MET2057 HA MET2057 0.248 -6.112 11.502 361 HB2 MET2057 1HB MET2057 -1.903 -5.873 10.782 362 HB3 MET2057 2HB MET2057 -1.385 -4.679 9.580 363 HG2 MET2057 1HG MET2057 -0.954 -6.434 7.945 364 HG3 MET2057 2HG MET2057 -1.212 -7.698 9.151 365 HE1 MET2057 3HE MET2057 -2.922 -6.275 6.136 366 HE2 MET2057 1HE MET2057 -2.468 -7.935 6.589 367 HE3 MET2057 2HE MET2057 -4.184 -7.499 6.416 368 H MET2058 H MET2058 1.368 -5.496 8.152 369 HA MET2058 HA MET2058 1.533 -8.213 7.461 370 HB2 MET2058 1HB MET2058 2.926 -5.704 6.397 371 HB3 MET2058 2HB MET2058 2.978 -7.273 5.573 372 HG2 MET2058 1HG MET2058 0.242 -6.399 6.281 373 HG3 MET2058 2HG MET2058 1.058 -5.285 5.180 374 HE1 MET2058 3HE MET2058 -1.498 -7.881 3.561 375 HE2 MET2058 1HE MET2058 -1.028 -8.811 5.004 376 HE3 MET2058 2HE MET2058 -1.405 -7.076 5.146 377 H GLU2059 H GLU2059 3.714 -5.896 9.072 378 HA GLU2059 HA GLU2059 6.005 -7.512 8.755 379 HB2 GLU2059 1HB GLU2059 5.608 -5.411 10.903 380 HB3 GLU2059 2HB GLU2059 7.118 -5.885 10.105 381 HG2 GLU2059 1HG GLU2059 5.732 -5.097 7.932 382 HG3 GLU2059 2HG GLU2059 4.897 -4.103 9.135 383 HE2 GLU2059 HE GLU2059 7.423 -1.822 9.017 384 H ARG2060 H ARG2060 4.050 -6.636 11.705 385 HA ARG2060 HA ARG2060 5.234 -8.717 13.173 386 HB2 ARG2060 1HB ARG2060 3.585 -8.092 14.923 387 HB3 ARG2060 2HB ARG2060 4.364 -6.651 14.245 388 HG2 ARG2060 1HG ARG2060 2.381 -6.418 12.692 389 HG3 ARG2060 2HG ARG2060 1.590 -7.737 13.573 390 HD2 ARG2060 1HD ARG2060 2.680 -5.502 15.231 391 HD3 ARG2060 2HD ARG2060 1.293 -5.095 14.212 392 HE ARG2060 HE ARG2060 0.587 -7.495 15.443 393 HH11 ARG2060 2HH2 ARG2060 1.574 -4.295 16.600 394 HH12 ARG2060 1HH2 ARG2060 0.675 -4.415 18.075 395 H GLY2061 H GLY2061 2.598 -8.496 10.912 396 HA2 GLY2061 2HA GLY2061 1.589 -11.135 11.791 397 HA3 GLY2061 3HA GLY2061 0.571 -9.878 11.120 398 HA PRO2062 HA PRO2062 3.304 -11.516 7.597 399 HB2 PRO2062 1HB PRO2062 4.898 -13.687 8.046 400 HB3 PRO2062 2HB PRO2062 5.489 -12.029 8.113 401 HG2 PRO2062 1HG PRO2062 4.848 -13.903 10.301 402 HG3 PRO2062 2HG PRO2062 5.882 -12.430 10.351 403 HD2 PRO2062 1HD PRO2062 3.221 -12.773 11.356 404 HD3 PRO2062 2HD PRO2062 4.136 -11.262 11.286 405 H GLN2063 H GLN2063 3.749 -14.031 6.505 406 HA GLN2063 HA GLN2063 1.216 -15.328 7.106 407 HB2 GLN2063 1HB GLN2063 1.251 -13.787 4.990 408 HB3 GLN2063 2HB GLN2063 2.184 -15.097 4.246 409 HG2 GLN2063 1HG GLN2063 0.350 -16.420 4.052 410 HG3 GLN2063 2HG GLN2063 -0.205 -16.057 5.694 411 HE21 GLN2063 1HE2 GLN2063 -2.326 -15.846 5.062 412 HE22 GLN2063 2HE2 GLN2063 -2.930 -14.496 4.161 413 H THR2064 H THR2064 4.393 -15.517 5.368 414 HA THR2064 HA THR2064 5.196 -17.861 6.613 415 HB THR2064 HB THR2064 3.540 -19.182 5.553 416 HG1 THR2064 1HG THR2064 5.560 -20.064 4.921 417 HG21 THR2064 3HG2 THR2064 2.314 -18.047 3.955 418 HG22 THR2064 1HG2 THR2064 3.715 -17.082 3.436 419 HG23 THR2064 2HG2 THR2064 3.505 -18.740 2.829 420 H LEU2065 H LEU2065 7.173 -18.814 5.567 421 HA LEU2065 HA LEU2065 8.968 -16.841 4.984 422 HB2 LEU2065 1HB LEU2065 9.070 -19.479 5.477 423 HB3 LEU2065 2HB LEU2065 9.462 -19.479 3.749 424 HG LEU2065 HG LEU2065 11.396 -19.435 5.401 425 HD11 LEU2065 1HD1 LEU2065 12.732 -18.473 3.837 426 HD12 LEU2065 2HD1 LEU2065 11.243 -18.595 2.872 427 HD13 LEU2065 3HD1 LEU2065 11.681 -17.051 3.642 428 HD21 LEU2065 3HD2 LEU2065 10.952 -16.481 5.631 429 HD22 LEU2065 1HD2 LEU2065 10.146 -17.585 6.770 430 HD23 LEU2065 2HD2 LEU2065 11.922 -17.573 6.646 431 H LYS2066 H LYS2066 6.573 -18.354 2.897 432 HA LYS2066 HA LYS2066 7.844 -17.618 0.460 433 HB2 LYS2066 1HB LYS2066 5.119 -18.631 1.231 434 HB3 LYS2066 2HB LYS2066 5.471 -18.119 -0.427 435 HG2 LYS2066 1HG LYS2066 7.432 -19.704 -0.420 436 HG3 LYS2066 2HG LYS2066 6.911 -20.285 1.170 437 HD2 LYS2066 1HD LYS2066 4.655 -20.813 0.094 438 HD3 LYS2066 2HD LYS2066 5.405 -20.478 -1.475 439 HE2 LYS2066 1HE LYS2066 5.612 -22.819 -1.226 440 HE3 LYS2066 2HE LYS2066 7.208 -22.218 -0.753 441 HZ1 LYS2066 2HZ LYS2066 5.089 -23.332 0.939 442 HZ3 LYS2066 1HZ LYS2066 6.065 -22.210 1.603 443 H GLU2067 H GLU2067 5.513 -16.132 2.728 444 HA GLU2067 HA GLU2067 4.470 -14.188 1.191 445 HB2 GLU2067 1HB GLU2067 3.988 -13.018 3.192 446 HB3 GLU2067 2HB GLU2067 4.086 -14.717 3.687 447 HG2 GLU2067 1HG GLU2067 5.505 -13.934 5.281 448 HG3 GLU2067 2HG GLU2067 6.706 -13.914 3.981 449 HE2 GLU2067 HE GLU2067 6.842 -10.628 5.335 450 H THR2068 H THR2068 7.813 -14.610 2.115 451 HA THR2068 HA THR2068 8.746 -12.003 2.093 452 HB THR2068 HB THR2068 10.917 -13.143 1.487 453 HG1 THR2068 1HG THR2068 10.495 -15.587 1.246 454 HG21 THR2068 3HG2 THR2068 10.573 -13.475 3.803 455 HG22 THR2068 1HG2 THR2068 9.052 -14.362 3.544 456 HG23 THR2068 2HG2 THR2068 10.610 -15.155 3.213 457 H SER2069 H SER2069 8.052 -14.219 -0.656 458 HA SER2069 HA SER2069 9.187 -12.726 -2.626 459 HB2 SER2069 1HB SER2069 7.467 -14.954 -2.425 460 HB3 SER2069 2HB SER2069 6.631 -13.826 -3.508 461 HG SER2069 HG SER2069 8.238 -14.003 -4.990 462 H PHE2070 H PHE2070 5.907 -12.447 -1.124 463 HA PHE2070 HA PHE2070 5.080 -10.358 -2.851 464 HB2 PHE2070 1HB PHE2070 3.976 -12.134 -1.013 465 HB3 PHE2070 2HB PHE2070 3.956 -10.636 -0.076 466 HD1 PHE2070 1HD PHE2070 2.739 -12.252 -3.165 467 HD2 PHE2070 2HD PHE2070 2.376 -8.930 -0.550 468 HE1 PHE2070 1HE PHE2070 0.622 -11.566 -4.326 469 HE2 PHE2070 2HE PHE2070 0.261 -8.245 -1.712 470 HZ PHE2070 HZ PHE2070 -0.592 -9.571 -3.587 471 H ASN2071 H ASN2071 6.105 -10.451 0.640 472 HA ASN2071 HA ASN2071 5.915 -7.773 1.087 473 HB2 ASN2071 1HB ASN2071 6.353 -9.502 2.834 474 HB3 ASN2071 2HB ASN2071 7.994 -9.725 2.211 475 HD21 ASN2071 1HD2 ASN2071 8.045 -9.193 4.692 476 HD22 ASN2071 2HD2 ASN2071 8.405 -7.546 5.086 477 H GLN2072 H GLN2072 8.469 -9.747 -0.473 478 HA GLN2072 HA GLN2072 10.320 -7.580 -0.529 479 HB2 GLN2072 1HB GLN2072 10.292 -10.370 -1.717 480 HB3 GLN2072 2HB GLN2072 11.610 -9.229 -2.040 481 HG2 GLN2072 1HG GLN2072 11.296 -9.098 0.728 482 HG3 GLN2072 2HG GLN2072 11.021 -10.813 0.381 483 HE21 GLN2072 1HE2 GLN2072 12.642 -12.043 -0.562 484 HE22 GLN2072 2HE2 GLN2072 14.305 -11.566 -0.575 485 H ALA2073 H ALA2073 8.178 -9.320 -2.868 486 HA ALA2073 HA ALA2073 8.890 -8.224 -5.213 487 HB1 ALA2073 3HB ALA2073 6.172 -8.843 -4.028 488 HB2 ALA2073 1HB ALA2073 6.358 -8.307 -5.715 489 HB3 ALA2073 2HB ALA2073 7.135 -9.813 -5.168 490 H TYR2074 H TYR2074 6.679 -6.699 -2.772 491 HA TYR2074 HA TYR2074 6.972 -4.179 -4.235 492 HB2 TYR2074 1HB TYR2074 5.199 -5.027 -1.868 493 HB3 TYR2074 2HB TYR2074 4.959 -3.593 -2.873 494 HD1 TYR2074 2HD TYR2074 5.088 -4.525 -5.588 495 HD2 TYR2074 1HD TYR2074 3.455 -6.506 -2.166 496 HE1 TYR2074 2HE TYR2074 3.543 -5.867 -7.095 497 HE2 TYR2074 1HE TYR2074 1.914 -7.843 -3.685 498 HH TYR2074 HH TYR2074 2.219 -7.649 -7.182 499 H GLY2075 H GLY2075 8.234 -5.905 -1.544 500 HA2 GLY2075 2HA GLY2075 8.499 -4.213 0.529 501 HA3 GLY2075 3HA GLY2075 9.790 -5.255 -0.033 502 H ARG2076 H ARG2076 10.093 -3.932 -2.679 503 HA ARG2076 HA ARG2076 11.790 -1.852 -1.765 504 HB2 ARG2076 1HB ARG2076 11.553 -3.540 -4.080 505 HB3 ARG2076 2HB ARG2076 11.554 -1.862 -4.648 506 HG2 ARG2076 1HG ARG2076 13.627 -3.219 -2.877 507 HG3 ARG2076 2HG ARG2076 13.858 -2.677 -4.549 508 HD2 ARG2076 1HD ARG2076 13.193 -0.318 -3.594 509 HD3 ARG2076 2HD ARG2076 13.588 -1.021 -2.019 510 HE ARG2076 HE ARG2076 15.460 -0.304 -4.152 511 HH11 ARG2076 2HH2 ARG2076 14.990 -2.351 -1.299 512 HH12 ARG2076 1HH2 ARG2076 16.687 -2.540 -1.001 513 H ASP2077 H ASP2077 8.735 -2.176 -3.647 514 HA ASP2077 HA ASP2077 8.566 0.435 -4.499 515 HB2 ASP2077 1HB ASP2077 6.479 -1.661 -3.816 516 HB3 ASP2077 2HB ASP2077 6.016 -0.081 -4.466 517 HD2 ASP2077 HD ASP2077 6.361 -1.251 -7.623 518 H LEU2078 H LEU2078 6.923 -1.225 -1.691 519 HA LEU2078 HA LEU2078 5.756 1.000 -0.583 520 HB2 LEU2078 1HB LEU2078 6.728 -1.604 0.528 521 HB3 LEU2078 2HB LEU2078 6.001 -0.380 1.584 522 HG LEU2078 HG LEU2078 3.958 -0.458 0.150 523 HD11 LEU2078 1HD1 LEU2078 5.573 -2.549 -1.283 524 HD12 LEU2078 2HD1 LEU2078 3.795 -2.641 -1.250 525 HD13 LEU2078 3HD1 LEU2078 4.599 -1.212 -1.943 526 HD21 LEU2078 3HD2 LEU2078 4.519 -1.925 2.267 527 HD22 LEU2078 1HD2 LEU2078 3.032 -2.193 1.326 528 HD23 LEU2078 2HD2 LEU2078 4.438 -3.257 1.089 529 H MET2079 H MET2079 9.085 -0.313 -0.147 530 HA MET2079 HA MET2079 9.898 1.265 1.897 531 HB2 MET2079 1HB MET2079 11.043 -0.413 -0.116 532 HB3 MET2079 2HB MET2079 11.987 1.088 -0.144 533 HG2 MET2079 1HG MET2079 13.005 0.556 1.810 534 HG3 MET2079 2HG MET2079 11.462 0.226 2.605 535 HE1 MET2079 3HE MET2079 10.295 -1.708 2.732 536 HE2 MET2079 1HE MET2079 10.884 -3.367 2.470 537 HE3 MET2079 2HE MET2079 11.578 -2.371 3.773 538 H GLU2080 H GLU2080 9.971 2.033 -1.649 539 HA GLU2080 HA GLU2080 11.061 4.589 -1.204 540 HB2 GLU2080 1HB GLU2080 11.447 3.544 -3.318 541 HB3 GLU2080 2HB GLU2080 9.718 3.276 -3.596 542 HG2 GLU2080 1HG GLU2080 9.321 5.541 -4.081 543 HG3 GLU2080 2HG GLU2080 10.765 6.092 -3.218 544 HE2 GLU2080 HE GLU2080 12.364 6.285 -6.226 545 H ALA2081 H ALA2081 7.738 3.331 -1.904 546 HA ALA2081 HA ALA2081 6.433 5.746 -2.108 547 HB1 ALA2081 3HB ALA2081 4.758 4.290 -2.444 548 HB2 ALA2081 1HB ALA2081 5.807 2.965 -1.885 549 HB3 ALA2081 2HB ALA2081 4.784 3.843 -0.721 550 H GLN2082 H GLN2082 7.296 3.805 0.814 551 HA GLN2082 HA GLN2082 5.952 5.463 2.597 552 HB2 GLN2082 1HB GLN2082 6.907 3.082 2.920 553 HB3 GLN2082 2HB GLN2082 8.450 3.878 3.285 554 HG2 GLN2082 1HG GLN2082 7.722 4.122 5.403 555 HG3 GLN2082 2HG GLN2082 6.515 5.273 4.810 556 HE21 GLN2082 1HE2 GLN2082 4.513 4.841 5.299 557 HE22 GLN2082 2HE2 GLN2082 3.818 3.290 5.624 558 H GLU2083 H GLU2083 9.259 5.519 1.206 559 HA GLU2083 HA GLU2083 10.344 7.375 2.926 560 HB2 GLU2083 1HB GLU2083 12.128 6.955 1.643 561 HB3 GLU2083 2HB GLU2083 11.097 6.027 0.539 562 HG2 GLU2083 1HG GLU2083 10.550 8.141 -0.673 563 HG3 GLU2083 2HG GLU2083 11.636 9.030 0.407 564 HE2 GLU2083 HE GLU2083 14.020 8.447 -2.001 565 H TRP2084 H TRP2084 8.270 7.749 0.028 566 HA TRP2084 HA TRP2084 8.613 10.572 -0.123 567 HB2 TRP2084 1HB TRP2084 6.600 8.678 -1.333 568 HB3 TRP2084 2HB TRP2084 6.652 10.410 -1.670 569 HD1 TRP2084 HD TRP2084 8.253 7.158 -2.723 570 HE1 TRP2084 1HE TRP2084 10.101 7.500 -4.575 571 HE3 TRP2084 3HE TRP2084 8.481 12.220 -2.305 572 HZ2 TRP2084 2HZ TRP2084 11.421 9.797 -5.634 573 HZ3 TRP2084 3HZ TRP2084 10.076 13.437 -3.784 574 HH2 TRP2084 HH TRP2084 11.513 12.307 -5.407 575 H CYS2085 H CYS2085 6.498 8.257 1.574 576 HA CYS2085 HA CYS2085 4.483 10.067 2.258 577 HB2 CYS2085 1HB CYS2085 5.283 7.345 2.994 578 HB3 CYS2085 2HB CYS2085 4.485 8.226 4.309 579 HG CYS2085 HG CYS2085 2.263 8.316 3.431 580 H ARG2086 H ARG2086 7.500 8.931 3.931 581 HA ARG2086 HA ARG2086 7.103 10.461 6.202 582 HB2 ARG2086 1HB ARG2086 9.599 9.314 4.890 583 HB3 ARG2086 2HB ARG2086 9.662 10.141 6.456 584 HG2 ARG2086 1HG ARG2086 9.088 8.201 7.443 585 HG3 ARG2086 2HG ARG2086 7.516 8.271 6.624 586 HD2 ARG2086 1HD ARG2086 8.121 6.402 5.507 587 HD3 ARG2086 2HD ARG2086 9.340 7.363 4.657 588 HE ARG2086 HE ARG2086 9.782 5.531 6.928 589 HH11 ARG2086 2HH2 ARG2086 11.141 8.104 4.907 590 HH12 ARG2086 1HH2 ARG2086 12.783 7.731 5.317 591 H LYS2087 H LYS2087 8.778 11.092 3.075 592 HA LYS2087 HA LYS2087 9.987 13.499 3.829 593 HB2 LYS2087 1HB LYS2087 10.814 12.401 1.932 594 HB3 LYS2087 2HB LYS2087 9.215 12.280 1.175 595 HG2 LYS2087 1HG LYS2087 10.007 15.049 1.809 596 HG3 LYS2087 2HG LYS2087 11.121 14.259 0.680 597 HD2 LYS2087 1HD LYS2087 8.532 13.543 -0.192 598 HD3 LYS2087 2HD LYS2087 8.410 15.260 0.230 599 HE2 LYS2087 1HE LYS2087 10.831 14.445 -1.315 600 HE3 LYS2087 2HE LYS2087 9.295 14.348 -2.191 601 HZ1 LYS2087 2HZ LYS2087 9.032 16.617 -2.066 602 HZ3 LYS2087 1HZ LYS2087 10.660 16.588 -2.049 603 H TYR2088 H TYR2088 6.697 12.647 2.755 604 HA TYR2088 HA TYR2088 5.905 15.322 2.232 605 HB2 TYR2088 1HB TYR2088 4.635 13.543 1.242 606 HB3 TYR2088 2HB TYR2088 4.686 12.566 2.712 607 HD1 TYR2088 2HD TYR2088 2.974 15.305 0.948 608 HD2 TYR2088 1HD TYR2088 3.063 12.924 4.503 609 HE1 TYR2088 2HE TYR2088 0.643 16.116 1.558 610 HE2 TYR2088 1HE TYR2088 0.731 13.744 5.101 611 HH TYR2088 HH TYR2088 -0.605 15.960 4.500 612 H MET2089 H MET2089 5.507 13.058 5.035 613 HA MET2089 HA MET2089 3.963 14.801 6.534 614 HB2 MET2089 1HB MET2089 5.843 12.494 7.197 615 HB3 MET2089 2HB MET2089 4.936 13.321 8.475 616 HG2 MET2089 1HG MET2089 2.964 12.819 6.594 617 HG3 MET2089 2HG MET2089 4.002 11.401 6.409 618 HE1 MET2089 3HE MET2089 0.845 10.932 7.850 619 HE2 MET2089 1HE MET2089 0.799 12.044 9.239 620 HE3 MET2089 2HE MET2089 1.179 12.664 7.615 621 H LYS2090 H LYS2090 7.453 14.617 5.952 622 HA LYS2090 HA LYS2090 8.015 16.394 8.174 623 HB2 LYS2090 1HB LYS2090 9.487 14.489 7.685 624 HB3 LYS2090 2HB LYS2090 9.862 15.180 6.095 625 HG2 LYS2090 1HG LYS2090 11.502 15.630 8.058 626 HG3 LYS2090 2HG LYS2090 11.036 17.012 7.047 627 HD2 LYS2090 1HD LYS2090 9.618 17.893 8.702 628 HD3 LYS2090 2HD LYS2090 9.447 16.341 9.541 629 HE2 LYS2090 1HE LYS2090 11.208 16.814 10.870 630 HE3 LYS2090 2HE LYS2090 12.247 17.154 9.477 631 HZ1 LYS2090 2HZ LYS2090 10.284 19.197 10.172 632 HZ3 LYS2090 1HZ LYS2090 11.816 19.381 9.650 633 H SER2091 H SER2091 8.275 16.363 4.555 634 HA SER2091 HA SER2091 8.832 19.163 4.590 635 HB2 SER2091 1HB SER2091 8.324 17.221 2.302 636 HB3 SER2091 2HB SER2091 8.851 18.900 2.092 637 HG SER2091 HG SER2091 10.721 18.238 3.533 638 H GLY2092 H GLY2092 6.312 17.128 2.913 639 HA2 GLY2092 2HA GLY2092 4.003 17.480 3.142 640 HA3 GLY2092 3HA GLY2092 4.293 19.133 3.642 641 H ASN2093 H ASN2093 4.140 16.889 0.880 642 HA ASN2093 HA ASN2093 3.624 19.172 -0.796 643 HB2 ASN2093 1HB ASN2093 6.137 17.808 -0.833 644 HB3 ASN2093 2HB ASN2093 5.280 17.295 -2.294 645 HD21 ASN2093 1HD2 ASN2093 5.401 18.541 -3.997 646 HD22 ASN2093 2HD2 ASN2093 5.849 20.214 -4.042 647 H VAL2094 H VAL2094 1.994 18.631 -2.314 648 HA VAL2094 HA VAL2094 0.771 16.078 -2.040 649 HB VAL2094 HB VAL2094 -0.313 18.348 -2.426 650 HG11 VAL2094 1HG1 VAL2094 0.150 17.779 -5.356 651 HG12 VAL2094 2HG1 VAL2094 -0.477 19.257 -4.587 652 HG13 VAL2094 3HG1 VAL2094 1.242 18.830 -4.423 653 HG21 VAL2094 3HG2 VAL2094 -1.425 16.508 -4.480 654 HG22 VAL2094 1HG2 VAL2094 -1.213 15.838 -2.845 655 HG23 VAL2094 2HG2 VAL2094 -2.211 17.291 -3.087 656 H LYS2095 H LYS2095 2.831 17.726 -4.487 657 HA LYS2095 HA LYS2095 2.568 15.880 -6.523 658 HB2 LYS2095 1HB LYS2095 3.703 18.177 -6.471 659 HB3 LYS2095 2HB LYS2095 5.146 17.319 -5.898 660 HG2 LYS2095 1HG LYS2095 4.473 15.730 -7.991 661 HG3 LYS2095 2HG LYS2095 3.813 17.267 -8.581 662 HD2 LYS2095 1HD LYS2095 5.879 18.078 -9.011 663 HD3 LYS2095 2HD LYS2095 6.486 17.607 -7.414 664 HE2 LYS2095 1HE LYS2095 7.720 16.054 -8.505 665 HE3 LYS2095 2HE LYS2095 6.212 15.163 -8.757 666 HZ1 LYS2095 2HZ LYS2095 5.978 16.628 -10.820 667 HZ3 LYS2095 1HZ LYS2095 7.131 15.481 -10.890 668 H ASP2096 H ASP2096 4.906 15.950 -3.753 669 HA ASP2096 HA ASP2096 6.202 13.623 -4.519 670 HB2 ASP2096 1HB ASP2096 7.369 13.857 -2.536 671 HB3 ASP2096 2HB ASP2096 6.704 15.493 -2.672 672 HD2 ASP2096 HD ASP2096 5.055 15.254 0.285 673 H LEU2097 H LEU2097 3.457 14.333 -2.256 674 HA LEU2097 HA LEU2097 3.141 11.758 -1.256 675 HB2 LEU2097 1HB LEU2097 2.159 13.557 -0.136 676 HB3 LEU2097 2HB LEU2097 1.281 14.103 -1.578 677 HG LEU2097 HG LEU2097 -0.229 12.235 -1.430 678 HD11 LEU2097 1HD1 LEU2097 1.419 11.255 0.918 679 HD12 LEU2097 2HD1 LEU2097 -0.093 10.534 0.314 680 HD13 LEU2097 3HD1 LEU2097 1.366 10.525 -0.705 681 HD21 LEU2097 3HD2 LEU2097 0.001 14.253 0.537 682 HD22 LEU2097 1HD2 LEU2097 -1.458 13.373 0.022 683 HD23 LEU2097 2HD2 LEU2097 -0.483 12.764 1.382 684 H THR2098 H THR2098 1.982 13.330 -4.261 685 HA THR2098 HA THR2098 0.169 11.316 -4.998 686 HB THR2098 HB THR2098 1.776 13.417 -6.534 687 HG1 THR2098 1HG THR2098 0.121 14.121 -5.003 688 HG21 THR2098 3HG2 THR2098 0.239 11.199 -7.591 689 HG22 THR2098 1HG2 THR2098 -0.700 12.695 -7.817 690 HG23 THR2098 2HG2 THR2098 0.945 12.569 -8.483 691 H GLN2099 H GLN2099 3.655 11.810 -5.842 692 HA GLN2099 HA GLN2099 3.864 9.664 -7.515 693 HB2 GLN2099 1HB GLN2099 5.592 11.534 -6.271 694 HB3 GLN2099 2HB GLN2099 6.281 9.938 -5.924 695 HG2 GLN2099 1HG GLN2099 5.528 9.758 -8.606 696 HG3 GLN2099 2HG GLN2099 6.120 11.422 -8.470 697 HE21 GLN2099 1HE2 GLN2099 6.896 8.158 -8.790 698 HE22 GLN2099 2HE2 GLN2099 8.610 8.230 -8.553 699 H ALA2100 H ALA2100 4.299 9.814 -3.922 700 HA ALA2100 HA ALA2100 5.092 7.192 -3.544 701 HB1 ALA2100 3HB ALA2100 4.854 7.691 -1.311 702 HB2 ALA2100 1HB ALA2100 4.794 9.344 -1.967 703 HB3 ALA2100 2HB ALA2100 3.285 8.499 -1.544 704 H TRP2101 H TRP2101 1.778 8.655 -3.631 705 HA TRP2101 HA TRP2101 0.361 6.362 -3.031 706 HB2 TRP2101 1HB TRP2101 -0.160 9.002 -4.028 707 HB3 TRP2101 2HB TRP2101 -1.137 7.831 -4.914 708 HD1 TRP2101 HD TRP2101 -0.999 9.636 -1.616 709 HE1 TRP2101 1HE TRP2101 -2.934 8.903 0.023 710 HE3 TRP2101 3HE TRP2101 -2.468 5.586 -4.316 711 HZ2 TRP2101 2HZ TRP2101 -4.820 6.762 0.007 712 HZ3 TRP2101 3HZ TRP2101 -4.363 4.227 -3.434 713 HH2 TRP2101 HH TRP2101 -5.527 4.757 -1.352 714 H ASP2102 H ASP2102 1.850 7.540 -6.077 715 HA ASP2102 HA ASP2102 0.619 5.807 -7.805 716 HB2 ASP2102 1HB ASP2102 2.325 7.784 -8.160 717 HB3 ASP2102 2HB ASP2102 3.555 6.515 -8.074 718 HD2 ASP2102 HD ASP2102 3.093 5.604 -11.309 719 H LEU2103 H LEU2103 3.695 5.512 -5.893 720 HA LEU2103 HA LEU2103 4.518 3.055 -6.844 721 HB2 LEU2103 1HB LEU2103 4.960 4.676 -4.401 722 HB3 LEU2103 2HB LEU2103 5.458 2.975 -4.352 723 HG LEU2103 HG LEU2103 6.644 3.631 -6.634 724 HD11 LEU2103 1HD1 LEU2103 6.293 6.280 -5.224 725 HD12 LEU2103 2HD1 LEU2103 7.592 5.968 -6.400 726 HD13 LEU2103 3HD1 LEU2103 5.888 5.855 -6.904 727 HD21 LEU2103 3HD2 LEU2103 7.740 4.354 -3.901 728 HD22 LEU2103 1HD2 LEU2103 7.768 2.744 -4.660 729 HD23 LEU2103 2HD2 LEU2103 8.699 4.081 -5.374 730 H TYR2104 H TYR2104 2.458 3.799 -3.946 731 HA TYR2104 HA TYR2104 2.009 1.178 -3.193 732 HB2 TYR2104 1HB TYR2104 0.446 3.813 -3.127 733 HB3 TYR2104 2HB TYR2104 -0.206 2.374 -2.339 734 HD1 TYR2104 1HD TYR2104 2.053 1.159 -1.013 735 HD2 TYR2104 2HD TYR2104 1.157 5.311 -1.518 736 HE1 TYR2104 1HE TYR2104 3.402 1.711 1.069 737 HE2 TYR2104 2HE TYR2104 2.510 5.850 0.566 738 HH TYR2104 HH TYR2104 3.147 4.034 2.818 739 H TYR2105 H TYR2105 -0.119 3.318 -5.228 740 HA TYR2105 HA TYR2105 -2.077 1.503 -5.783 741 HB2 TYR2105 1HB TYR2105 -1.377 4.062 -6.471 742 HB3 TYR2105 2HB TYR2105 -0.918 3.258 -7.977 743 HD1 TYR2105 1HD TYR2105 -3.129 1.170 -8.026 744 HD2 TYR2105 2HD TYR2105 -3.202 5.369 -7.210 745 HE1 TYR2105 1HE TYR2105 -5.547 1.285 -8.802 746 HE2 TYR2105 2HE TYR2105 -5.620 5.471 -7.989 747 HH TYR2105 HH TYR2105 -7.369 2.525 -8.830 748 H HIS2106 H HIS2106 1.212 1.733 -7.164 749 HA HIS2106 HA HIS2106 0.740 0.090 -9.375 750 HB2 HIS2106 1HB HIS2106 2.694 1.655 -8.881 751 HB3 HIS2106 2HB HIS2106 3.369 0.342 -7.908 752 HD1 HIS2106 1HD HIS2106 4.427 1.626 -10.745 753 HD2 HIS2106 2HD HIS2106 2.604 -2.099 -10.112 754 HE1 HIS2106 1HE HIS2106 5.143 0.139 -12.691 755 HE2 HIS2106 2HE HIS2106 3.993 -2.144 -12.255 756 H VAL2107 H VAL2107 2.149 -0.643 -6.104 757 HA VAL2107 HA VAL2107 2.284 -3.413 -6.593 758 HB VAL2107 HB VAL2107 3.037 -3.577 -4.417 759 HG11 VAL2107 1HG1 VAL2107 4.805 -2.242 -4.687 760 HG12 VAL2107 2HG1 VAL2107 3.913 -1.379 -5.962 761 HG13 VAL2107 3HG1 VAL2107 3.837 -0.804 -4.281 762 HG21 VAL2107 3HG2 VAL2107 0.921 -2.622 -3.421 763 HG22 VAL2107 1HG2 VAL2107 2.421 -2.198 -2.562 764 HG23 VAL2107 2HG2 VAL2107 1.637 -1.006 -3.625 765 H PHE2108 H PHE2108 -0.140 -1.260 -5.008 766 HA PHE2108 HA PHE2108 -1.807 -3.352 -4.162 767 HB2 PHE2108 1HB PHE2108 -1.947 -0.370 -4.710 768 HB3 PHE2108 2HB PHE2108 -3.471 -1.214 -4.413 769 HD1 PHE2108 1HD PHE2108 -0.084 -0.723 -2.934 770 HD2 PHE2108 2HD PHE2108 -4.199 -1.477 -2.228 771 HE1 PHE2108 1HE PHE2108 0.302 -0.520 -0.462 772 HE2 PHE2108 2HE PHE2108 -3.814 -1.275 0.243 773 HZ PHE2108 HZ PHE2108 -1.566 -0.799 1.098 774 H ARG2109 H ARG2109 -1.383 -1.667 -7.259 775 HA ARG2109 HA ARG2109 -3.890 -2.482 -8.264 776 HB2 ARG2109 1HB ARG2109 -2.918 -0.527 -9.242 777 HB3 ARG2109 2HB ARG2109 -1.364 -1.330 -9.524 778 HG2 ARG2109 1HG ARG2109 -2.116 -2.398 -11.425 779 HG3 ARG2109 2HG ARG2109 -3.782 -2.531 -10.837 780 HD2 ARG2109 1HD ARG2109 -2.961 0.261 -11.219 781 HD3 ARG2109 2HD ARG2109 -2.801 -0.673 -12.712 782 HE ARG2109 HE ARG2109 -5.330 -1.165 -11.353 783 HH11 ARG2109 2HH2 ARG2109 -3.666 1.071 -13.541 784 HH12 ARG2109 1HH2 ARG2109 -5.130 1.653 -14.259 785 H ARG2110 H ARG2110 -0.565 -3.767 -8.188 786 HA ARG2110 HA ARG2110 -0.928 -5.630 -10.236 787 HB2 ARG2110 1HB ARG2110 1.230 -4.720 -8.927 788 HB3 ARG2110 2HB ARG2110 0.975 -6.181 -7.955 789 HG2 ARG2110 1HG ARG2110 0.894 -6.433 -10.947 790 HG3 ARG2110 2HG ARG2110 2.478 -6.192 -10.189 791 HD2 ARG2110 1HD ARG2110 2.444 -8.263 -9.173 792 HD3 ARG2110 2HD ARG2110 0.690 -8.254 -8.943 793 HE ARG2110 HE ARG2110 0.453 -9.300 -11.024 794 HH11 ARG2110 2HH2 ARG2110 3.716 -7.940 -10.798 795 HH12 ARG2110 1HH2 ARG2110 4.259 -8.677 -12.267 796 H ILE2111 H ILE2111 -1.018 -5.866 -6.607 797 HA ILE2111 HA ILE2111 -1.450 -8.506 -6.278 798 HB ILE2111 HB ILE2111 -2.896 -7.775 -4.305 799 HG12 ILE2111 1HG1 ILE2111 -2.036 -5.044 -5.284 800 HG13 ILE2111 2HG1 ILE2111 -3.696 -5.660 -5.270 801 HG21 ILE2111 1HG2 ILE2111 -1.000 -7.670 -3.115 802 HG22 ILE2111 2HG2 ILE2111 -0.194 -7.942 -4.677 803 HG23 ILE2111 3HG2 ILE2111 -0.370 -6.289 -4.042 804 HD11 ILE2111 3HD1 ILE2111 -3.588 -4.414 -3.274 805 HD12 ILE2111 1HD1 ILE2111 -3.243 -6.066 -2.707 806 HD13 ILE2111 2HD1 ILE2111 -1.910 -4.908 -2.944 807 H SER2112 H SER2112 -3.786 -6.038 -7.427 808 HA SER2112 HA SER2112 -5.911 -7.931 -7.421 809 HB2 SER2112 1HB SER2112 -6.412 -5.596 -7.022 810 HB3 SER2112 2HB SER2112 -5.657 -5.115 -8.553 811 HG SER2112 HG SER2112 -7.396 -5.818 -9.675 812 H LYS2113 H LYS2113 -4.010 -6.132 -9.949 813 HA LYS2113 HA LYS2113 -5.077 -7.089 -12.207 814 HB2 LYS2113 1HB LYS2113 -2.562 -5.987 -11.378 815 HB3 LYS2113 2HB LYS2113 -2.275 -7.239 -12.598 816 HG2 LYS2113 1HG LYS2113 -4.482 -5.224 -13.017 817 HG3 LYS2113 2HG LYS2113 -2.806 -4.737 -13.326 818 HD2 LYS2113 1HD LYS2113 -3.197 -7.306 -14.526 819 HD3 LYS2113 2HD LYS2113 -4.580 -6.298 -14.992 820 HE2 LYS2113 1HE LYS2113 -3.280 -4.878 -16.243 821 HE3 LYS2113 2HE LYS2113 -1.899 -4.983 -15.141 822 HZ1 LYS2113 2HZ LYS2113 -2.159 -7.493 -16.255 823 HZ3 LYS2113 1HZ LYS2113 -1.027 -6.389 -16.648 824 H GLN2114 H GLN2114 -4.815 -8.922 -13.593 825 HA GLN2114 HA GLN2114 -4.074 -11.284 -12.064 826 HB2 GLN2114 1HB GLN2114 -6.372 -10.684 -13.525 827 HB3 GLN2114 2HB GLN2114 -5.472 -11.762 -14.608 828 HG2 GLN2114 1HG GLN2114 -5.333 -12.780 -11.904 829 HG3 GLN2114 2HG GLN2114 -7.027 -12.457 -12.304 830 HE21 GLN2114 1HE2 GLN2114 -4.941 -14.827 -12.146 831 HE22 GLN2114 2HE2 GLN2114 -5.370 -15.825 -13.494 Start of MODEL 23 1 H MET2014 H MET2014 -7.786 -2.936 -14.182 2 HA MET2014 HA MET2014 -8.094 -3.538 -12.111 3 HB2 MET2014 1HB MET2014 -9.449 -1.173 -12.537 4 HB3 MET2014 2HB MET2014 -10.742 -2.158 -11.834 5 HG2 MET2014 1HG MET2014 -9.864 -1.521 -9.830 6 HG3 MET2014 2HG MET2014 -8.606 -2.719 -10.153 7 HE1 MET2014 3HE MET2014 -9.150 0.960 -11.964 8 HE2 MET2014 1HE MET2014 -9.856 0.779 -10.340 9 HE3 MET2014 2HE MET2014 -8.430 1.819 -10.579 10 H GLU2015 H GLU2015 -8.468 -5.756 -12.070 11 HA GLU2015 HA GLU2015 -10.946 -6.825 -12.865 12 HB2 GLU2015 1HB GLU2015 -8.331 -7.779 -12.109 13 HB3 GLU2015 2HB GLU2015 -9.558 -8.712 -11.230 14 HG2 GLU2015 1HG GLU2015 -9.583 -8.209 -14.236 15 HG3 GLU2015 2HG GLU2015 -8.940 -9.678 -13.487 16 HE2 GLU2015 HE GLU2015 -12.641 -9.685 -14.379 17 H LEU2016 H LEU2016 -9.954 -5.152 -10.070 18 HA LEU2016 HA LEU2016 -10.940 -4.747 -8.135 19 HB2 LEU2016 1HB LEU2016 -13.085 -5.764 -9.792 20 HB3 LEU2016 2HB LEU2016 -13.357 -6.117 -8.077 21 HG LEU2016 HG LEU2016 -14.438 -4.080 -8.460 22 HD11 LEU2016 1HD1 LEU2016 -11.829 -2.948 -7.519 23 HD12 LEU2016 2HD1 LEU2016 -13.481 -2.667 -6.919 24 HD13 LEU2016 3HD1 LEU2016 -12.648 -4.197 -6.550 25 HD21 LEU2016 3HD2 LEU2016 -13.924 -2.523 -10.003 26 HD22 LEU2016 1HD2 LEU2016 -12.184 -2.566 -9.629 27 HD23 LEU2016 2HD2 LEU2016 -12.902 -3.817 -10.672 28 H ILE2017 H ILE2017 -8.963 -6.555 -8.035 29 HA ILE2017 HA ILE2017 -8.125 -8.297 -6.961 30 HB ILE2017 HB ILE2017 -10.367 -7.964 -4.982 31 HG12 ILE2017 1HG1 ILE2017 -8.462 -6.295 -4.046 32 HG13 ILE2017 2HG1 ILE2017 -8.283 -6.018 -5.788 33 HG21 ILE2017 1HG2 ILE2017 -9.109 -9.643 -4.118 34 HG22 ILE2017 2HG2 ILE2017 -7.633 -9.138 -4.973 35 HG23 ILE2017 3HG2 ILE2017 -8.156 -8.268 -3.510 36 HD11 ILE2017 3HD1 ILE2017 -11.032 -6.039 -4.516 37 HD12 ILE2017 1HD1 ILE2017 -10.012 -4.585 -4.419 38 HD13 ILE2017 2HD1 ILE2017 -10.493 -5.228 -6.006 39 H ARG2018 H ARG2018 -8.732 -10.573 -5.866 40 HA ARG2018 HA ARG2018 -11.129 -11.668 -6.922 41 HB2 ARG2018 1HB ARG2018 -9.616 -13.535 -8.090 42 HB3 ARG2018 2HB ARG2018 -10.068 -12.064 -8.969 43 HG2 ARG2018 1HG ARG2018 -7.676 -12.504 -9.241 44 HG3 ARG2018 2HG ARG2018 -7.893 -11.027 -8.284 45 HD2 ARG2018 1HD ARG2018 -6.148 -12.429 -7.282 46 HD3 ARG2018 2HD ARG2018 -7.544 -12.375 -6.197 47 HE ARG2018 HE ARG2018 -7.864 -14.612 -7.923 48 HH11 ARG2018 2HH2 ARG2018 -5.698 -13.557 -5.326 49 HH12 ARG2018 1HH2 ARG2018 -5.320 -15.168 -4.817 50 H VAL2019 H VAL2019 -10.366 -11.425 -4.286 51 HA VAL2019 HA VAL2019 -10.015 -14.195 -3.540 52 HB VAL2019 HB VAL2019 -7.770 -13.764 -3.446 53 HG11 VAL2019 1HG1 VAL2019 -6.703 -11.679 -2.986 54 HG12 VAL2019 2HG1 VAL2019 -8.057 -11.334 -4.088 55 HG13 VAL2019 3HG1 VAL2019 -8.208 -10.971 -2.352 56 HG21 VAL2019 3HG2 VAL2019 -7.440 -14.266 -1.296 57 HG22 VAL2019 1HG2 VAL2019 -7.853 -12.609 -0.791 58 HG23 VAL2019 2HG2 VAL2019 -9.137 -13.826 -0.985 59 HA PRO2020 HA PRO2020 -12.939 -12.749 -0.685 60 HB2 PRO2020 1HB PRO2020 -13.179 -14.992 0.856 61 HB3 PRO2020 2HB PRO2020 -14.027 -14.778 -0.675 62 HG2 PRO2020 1HG PRO2020 -11.641 -16.394 -0.038 63 HG3 PRO2020 2HG PRO2020 -12.763 -16.552 -1.436 64 HD2 PRO2020 1HD PRO2020 -10.121 -15.447 -1.389 65 HD3 PRO2020 2HD PRO2020 -11.246 -15.436 -2.754 66 H ILE2021 H ILE2021 -10.804 -14.854 1.179 67 HA ILE2021 HA ILE2021 -10.299 -12.509 2.878 68 HB ILE2021 HB ILE2021 -10.165 -14.047 4.774 69 HG12 ILE2021 1HG1 ILE2021 -11.544 -16.316 3.839 70 HG13 ILE2021 2HG1 ILE2021 -10.207 -16.057 2.704 71 HG21 ILE2021 1HG2 ILE2021 -12.845 -14.581 3.554 72 HG22 ILE2021 2HG2 ILE2021 -12.417 -14.038 5.194 73 HG23 ILE2021 3HG2 ILE2021 -12.340 -12.897 3.831 74 HD11 ILE2021 3HD1 ILE2021 -8.913 -15.632 5.068 75 HD12 ILE2021 1HD1 ILE2021 -10.159 -16.785 5.600 76 HD13 ILE2021 2HD1 ILE2021 -9.034 -17.231 4.297 77 H LEU2022 H LEU2022 -8.230 -11.840 2.786 78 HA LEU2022 HA LEU2022 -6.058 -13.486 3.175 79 HB2 LEU2022 1HB LEU2022 -7.073 -13.847 0.609 80 HB3 LEU2022 2HB LEU2022 -5.663 -12.794 0.395 81 HG LEU2022 HG LEU2022 -5.098 -15.155 0.123 82 HD11 LEU2022 1HD1 LEU2022 -3.863 -14.167 2.698 83 HD12 LEU2022 2HD1 LEU2022 -3.130 -15.188 1.439 84 HD13 LEU2022 3HD1 LEU2022 -3.481 -13.477 1.103 85 HD21 LEU2022 3HD2 LEU2022 -6.698 -16.283 1.454 86 HD22 LEU2022 1HD2 LEU2022 -5.110 -16.632 2.177 87 HD23 LEU2022 2HD2 LEU2022 -6.185 -15.431 2.929 88 H TRP2023 H TRP2023 -3.934 -12.251 2.517 89 HA TRP2023 HA TRP2023 -3.952 -9.807 3.719 90 HB2 TRP2023 1HB TRP2023 -2.116 -11.226 1.866 91 HB3 TRP2023 2HB TRP2023 -1.834 -9.503 2.122 92 HD1 TRP2023 HD TRP2023 -3.177 -11.167 5.218 93 HE1 TRP2023 1HE TRP2023 -1.314 -11.570 7.043 94 HE3 TRP2023 3HE TRP2023 0.765 -10.142 2.175 95 HZ2 TRP2023 2HZ TRP2023 1.536 -11.420 7.010 96 HZ3 TRP2023 3HZ TRP2023 3.055 -10.292 3.151 97 HH2 TRP2023 HH TRP2023 3.472 -10.906 5.479 98 H HIS2024 H HIS2024 -4.104 -10.559 0.165 99 HA HIS2024 HA HIS2024 -4.183 -8.035 -0.809 100 HB2 HIS2024 1HB HIS2024 -6.011 -10.155 -1.898 101 HB3 HIS2024 2HB HIS2024 -5.075 -8.940 -2.772 102 HD1 HIS2024 1HD HIS2024 -5.001 -12.439 -1.679 103 HD2 HIS2024 2HD HIS2024 -2.174 -9.526 -2.737 104 HE1 HIS2024 1HE HIS2024 -2.832 -13.691 -2.163 105 HE2 HIS2024 2HE HIS2024 -1.120 -11.853 -2.807 106 H GLU2025 H GLU2025 -6.559 -9.654 1.191 107 HA GLU2025 HA GLU2025 -8.748 -8.083 0.399 108 HB2 GLU2025 1HB GLU2025 -8.756 -10.339 1.618 109 HB3 GLU2025 2HB GLU2025 -8.401 -9.437 3.101 110 HG2 GLU2025 1HG GLU2025 -10.612 -8.273 1.543 111 HG3 GLU2025 2HG GLU2025 -10.940 -9.941 2.040 112 HE2 GLU2025 HE GLU2025 -12.083 -8.218 4.863 113 H MET2026 H MET2026 -6.122 -7.749 2.798 114 HA MET2026 HA MET2026 -7.373 -5.557 4.097 115 HB2 MET2026 1HB MET2026 -5.463 -5.608 5.501 116 HB3 MET2026 2HB MET2026 -5.560 -7.290 4.958 117 HG2 MET2026 1HG MET2026 -3.335 -6.906 4.482 118 HG3 MET2026 2HG MET2026 -4.012 -6.299 2.969 119 HE1 MET2026 3HE MET2026 -1.014 -4.753 5.018 120 HE2 MET2026 1HE MET2026 -1.455 -5.842 3.680 121 HE3 MET2026 2HE MET2026 -1.202 -4.108 3.370 122 H TRP2027 H TRP2027 -5.165 -6.037 1.364 123 HA TRP2027 HA TRP2027 -4.135 -3.403 1.314 124 HB2 TRP2027 1HB TRP2027 -4.297 -5.616 -0.722 125 HB3 TRP2027 2HB TRP2027 -3.564 -4.050 -1.072 126 HD1 TRP2027 HD TRP2027 -3.061 -7.009 1.426 127 HE1 TRP2027 1HE TRP2027 -0.520 -7.228 2.103 128 HE3 TRP2027 3HE TRP2027 -1.490 -2.883 -1.098 129 HZ2 TRP2027 2HZ TRP2027 1.810 -5.685 1.520 130 HZ3 TRP2027 3HZ TRP2027 0.934 -2.310 -0.992 131 HH2 TRP2027 HH TRP2027 2.562 -3.634 0.262 132 H HIS2028 H HIS2028 -6.810 -5.144 -0.418 133 HA HIS2028 HA HIS2028 -7.620 -2.943 -1.916 134 HB2 HIS2028 1HB HIS2028 -8.807 -4.557 -2.838 135 HB3 HIS2028 2HB HIS2028 -8.411 -5.650 -1.507 136 HD1 HIS2028 1HD HIS2028 -10.815 -2.657 -1.793 137 HD2 HIS2028 2HD HIS2028 -10.751 -6.672 -0.572 138 HE1 HIS2028 1HE HIS2028 -13.158 -3.181 -0.931 139 HE2 HIS2028 2HE HIS2028 -13.066 -5.665 -0.188 140 H GLU2029 H GLU2029 -8.966 -4.310 1.174 141 HA GLU2029 HA GLU2029 -10.847 -2.335 1.520 142 HB2 GLU2029 1HB GLU2029 -9.397 -4.205 3.396 143 HB3 GLU2029 2HB GLU2029 -10.548 -3.022 4.040 144 HG2 GLU2029 1HG GLU2029 -11.621 -4.435 1.710 145 HG3 GLU2029 2HG GLU2029 -11.145 -5.568 2.983 146 HE2 GLU2029 HE GLU2029 -14.259 -3.137 3.480 147 H GLY2030 H GLY2030 -7.400 -2.524 2.570 148 HA2 GLY2030 2HA GLY2030 -7.241 -0.348 4.238 149 HA3 GLY2030 3HA GLY2030 -5.958 -0.909 3.182 150 H LEU2031 H LEU2031 -6.434 -0.309 0.686 151 HA LEU2031 HA LEU2031 -6.239 2.448 0.520 152 HB2 LEU2031 1HB LEU2031 -7.054 0.538 -1.660 153 HB3 LEU2031 2HB LEU2031 -6.315 2.136 -1.860 154 HG LEU2031 HG LEU2031 -5.093 -0.477 -1.083 155 HD11 LEU2031 1HD1 LEU2031 -4.720 1.632 -3.115 156 HD12 LEU2031 2HD1 LEU2031 -3.222 0.923 -2.466 157 HD13 LEU2031 3HD1 LEU2031 -4.454 -0.126 -3.209 158 HD21 LEU2031 3HD2 LEU2031 -4.375 2.153 0.118 159 HD22 LEU2031 1HD2 LEU2031 -4.248 0.507 0.785 160 HD23 LEU2031 2HD2 LEU2031 -3.047 1.084 -0.398 161 H GLU2032 H GLU2032 -9.052 0.289 0.538 162 HA GLU2032 HA GLU2032 -10.886 1.915 -0.660 163 HB2 GLU2032 1HB GLU2032 -10.878 -0.488 0.815 164 HB3 GLU2032 2HB GLU2032 -12.044 0.556 1.647 165 HG2 GLU2032 1HG GLU2032 -12.069 0.260 -1.368 166 HG3 GLU2032 2HG GLU2032 -12.872 -0.938 -0.342 167 HE2 GLU2032 HE GLU2032 -15.308 1.354 0.729 168 H GLU2033 H GLU2033 -10.074 1.694 2.880 169 HA GLU2033 HA GLU2033 -11.736 3.867 3.512 170 HB2 GLU2033 1HB GLU2033 -10.707 1.881 4.962 171 HB3 GLU2033 2HB GLU2033 -9.443 3.079 5.296 172 HG2 GLU2033 1HG GLU2033 -10.917 4.511 6.404 173 HG3 GLU2033 2HG GLU2033 -12.341 3.896 5.551 174 HE2 GLU2033 HE GLU2033 -11.049 2.139 8.888 175 H ALA2034 H ALA2034 -8.175 3.457 3.030 176 HA ALA2034 HA ALA2034 -7.414 6.025 3.734 177 HB1 ALA2034 3HB ALA2034 -5.443 5.512 2.221 178 HB2 ALA2034 1HB ALA2034 -5.794 4.270 3.446 179 HB3 ALA2034 2HB ALA2034 -6.284 4.012 1.755 180 H SER2035 H SER2035 -8.461 4.668 0.543 181 HA SER2035 HA SER2035 -8.036 6.941 -0.922 182 HB2 SER2035 1HB SER2035 -10.071 4.705 -1.187 183 HB3 SER2035 2HB SER2035 -9.906 5.974 -2.413 184 HG SER2035 HG SER2035 -8.528 3.718 -2.262 185 H ARG2036 H ARG2036 -10.927 5.878 0.978 186 HA ARG2036 HA ARG2036 -12.587 7.919 0.190 187 HB2 ARG2036 1HB ARG2036 -13.291 5.880 1.444 188 HB3 ARG2036 2HB ARG2036 -12.489 6.497 2.899 189 HG2 ARG2036 1HG ARG2036 -14.251 8.524 1.807 190 HG3 ARG2036 2HG ARG2036 -15.152 7.011 2.008 191 HD2 ARG2036 1HD ARG2036 -15.360 7.587 4.188 192 HD3 ARG2036 2HD ARG2036 -13.640 7.206 4.366 193 HE ARG2036 HE ARG2036 -14.024 9.887 3.340 194 HH11 ARG2036 2HH2 ARG2036 -14.158 7.991 6.330 195 HH12 ARG2036 1HH2 ARG2036 -13.843 9.353 7.353 196 H LEU2037 H LEU2037 -9.960 7.773 2.595 197 HA LEU2037 HA LEU2037 -10.689 10.157 3.952 198 HB2 LEU2037 1HB LEU2037 -8.167 8.521 3.813 199 HB3 LEU2037 2HB LEU2037 -8.329 9.970 4.822 200 HG LEU2037 HG LEU2037 -10.405 7.872 5.159 201 HD11 LEU2037 1HD1 LEU2037 -8.991 6.172 5.412 202 HD12 LEU2037 2HD1 LEU2037 -7.569 7.239 5.323 203 HD13 LEU2037 3HD1 LEU2037 -8.401 6.996 6.877 204 HD21 LEU2037 3HD2 LEU2037 -9.471 8.541 7.632 205 HD22 LEU2037 1HD2 LEU2037 -9.129 10.025 6.710 206 HD23 LEU2037 2HD2 LEU2037 -10.787 9.379 6.775 207 H TYR2038 H TYR2038 -8.747 9.332 1.074 208 HA TYR2038 HA TYR2038 -7.684 12.003 0.880 209 HB2 TYR2038 1HB TYR2038 -6.417 9.999 0.145 210 HB3 TYR2038 2HB TYR2038 -7.770 9.462 -0.857 211 HD1 TYR2038 1HD TYR2038 -5.216 12.161 -0.498 212 HD2 TYR2038 2HD TYR2038 -7.911 10.120 -3.118 213 HE1 TYR2038 1HE TYR2038 -4.209 13.376 -2.493 214 HE2 TYR2038 2HE TYR2038 -6.895 11.341 -5.104 215 HH TYR2038 HH TYR2038 -4.823 12.413 -5.686 216 H PHE2039 H PHE2039 -9.913 9.915 -1.099 217 HA PHE2039 HA PHE2039 -10.636 12.055 -2.790 218 HB2 PHE2039 1HB PHE2039 -11.723 9.292 -2.053 219 HB3 PHE2039 2HB PHE2039 -12.561 10.290 -3.245 220 HD1 PHE2039 2HD PHE2039 -11.211 11.037 -5.293 221 HD2 PHE2039 1HD PHE2039 -9.942 7.940 -2.684 222 HE1 PHE2039 2HE PHE2039 -9.683 10.159 -7.080 223 HE2 PHE2039 1HE PHE2039 -8.415 7.060 -4.472 224 HZ PHE2039 HZ PHE2039 -8.304 8.180 -6.648 225 H GLY2040 H GLY2040 -12.265 10.421 0.009 226 HA2 GLY2040 2HA GLY2040 -14.647 11.857 -0.045 227 HA3 GLY2040 3HA GLY2040 -13.923 11.102 1.362 228 H GLU2041 H GLU2041 -11.679 12.454 1.986 229 HA GLU2041 HA GLU2041 -12.494 15.253 2.011 230 HB2 GLU2041 1HB GLU2041 -12.989 14.072 4.184 231 HB3 GLU2041 2HB GLU2041 -11.253 13.777 4.372 232 HG2 GLU2041 1HG GLU2041 -12.210 15.835 5.566 233 HG3 GLU2041 2HG GLU2041 -10.780 16.119 4.563 234 HE2 GLU2041 HE GLU2041 -14.323 17.262 3.029 235 H ARG2042 H ARG2042 -10.538 16.704 2.742 236 HA ARG2042 HA ARG2042 -8.351 15.861 1.095 237 HB2 ARG2042 1HB ARG2042 -9.575 18.306 1.601 238 HB3 ARG2042 2HB ARG2042 -8.075 18.440 2.535 239 HG2 ARG2042 1HG ARG2042 -7.733 19.289 0.265 240 HG3 ARG2042 2HG ARG2042 -6.780 17.810 0.486 241 HD2 ARG2042 1HD ARG2042 -7.843 16.857 -1.260 242 HD3 ARG2042 2HD ARG2042 -9.410 17.082 -0.469 243 HE ARG2042 HE ARG2042 -8.277 19.469 -1.793 244 HH11 ARG2042 2HH2 ARG2042 -10.472 16.700 -2.064 245 HH12 ARG2042 1HH2 ARG2042 -11.386 17.394 -3.362 246 H ASN2043 H ASN2043 -8.534 14.242 3.382 247 HA ASN2043 HA ASN2043 -6.311 15.262 4.971 248 HB2 ASN2043 1HB ASN2043 -8.833 13.794 5.740 249 HB3 ASN2043 2HB ASN2043 -7.370 13.464 6.683 250 HD21 ASN2043 1HD2 ASN2043 -9.512 14.534 7.910 251 HD22 ASN2043 2HD2 ASN2043 -9.251 16.192 8.335 252 H VAL2044 H VAL2044 -4.683 14.157 3.719 253 HA VAL2044 HA VAL2044 -5.026 11.451 2.921 254 HB VAL2044 HB VAL2044 -2.644 11.657 2.280 255 HG11 VAL2044 1HG1 VAL2044 -3.461 14.124 1.077 256 HG12 VAL2044 2HG1 VAL2044 -3.455 12.487 0.378 257 HG13 VAL2044 3HG1 VAL2044 -4.890 13.075 1.251 258 HG21 VAL2044 3HG2 VAL2044 -2.113 14.381 2.505 259 HG22 VAL2044 1HG2 VAL2044 -2.778 13.938 4.096 260 HG23 VAL2044 2HG2 VAL2044 -1.363 13.072 3.449 261 H LYS2045 H LYS2045 -4.292 13.001 5.903 262 HA LYS2045 HA LYS2045 -2.397 11.379 7.033 263 HB2 LYS2045 1HB LYS2045 -3.795 11.904 9.183 264 HB3 LYS2045 2HB LYS2045 -2.947 13.199 8.320 265 HG2 LYS2045 1HG LYS2045 -5.696 12.624 7.352 266 HG3 LYS2045 2HG LYS2045 -5.617 13.253 9.006 267 HD2 LYS2045 1HD LYS2045 -3.930 14.618 6.945 268 HD3 LYS2045 2HD LYS2045 -5.681 14.850 6.810 269 HE2 LYS2045 1HE LYS2045 -5.771 15.668 9.127 270 HE3 LYS2045 2HE LYS2045 -4.044 15.347 9.342 271 HZ1 LYS2045 2HZ LYS2045 -3.780 17.448 8.605 272 HZ3 LYS2045 1HZ LYS2045 -5.315 17.582 8.079 273 H GLY2046 H GLY2046 -5.947 10.837 6.673 274 HA2 GLY2046 2HA GLY2046 -6.221 8.544 8.177 275 HA3 GLY2046 3HA GLY2046 -7.158 8.946 6.750 276 H MET2047 H MET2047 -5.423 8.818 4.634 277 HA MET2047 HA MET2047 -5.239 6.140 4.152 278 HB2 MET2047 1HB MET2047 -5.192 7.631 2.292 279 HB3 MET2047 2HB MET2047 -3.889 8.611 2.986 280 HG2 MET2047 1HG MET2047 -3.372 5.710 2.314 281 HG3 MET2047 2HG MET2047 -3.392 6.899 1.008 282 HE1 MET2047 3HE MET2047 -0.808 9.322 1.610 283 HE2 MET2047 1HE MET2047 -2.585 9.220 1.606 284 HE3 MET2047 2HE MET2047 -1.716 9.564 3.121 285 H PHE2048 H PHE2048 -2.665 8.430 5.264 286 HA PHE2048 HA PHE2048 -0.588 6.566 5.204 287 HB2 PHE2048 1HB PHE2048 -1.258 9.128 6.731 288 HB3 PHE2048 2HB PHE2048 0.280 8.306 7.016 289 HD1 PHE2048 1HD PHE2048 0.850 7.438 4.196 290 HD2 PHE2048 2HD PHE2048 -0.542 11.129 5.757 291 HE1 PHE2048 1HE PHE2048 1.842 8.643 2.230 292 HE2 PHE2048 2HE PHE2048 0.447 12.334 3.792 293 HZ PHE2048 HZ PHE2048 1.627 11.077 2.050 294 H GLU2049 H GLU2049 -3.008 7.441 7.721 295 HA GLU2049 HA GLU2049 -1.724 5.862 9.688 296 HB2 GLU2049 1HB GLU2049 -4.550 6.986 9.594 297 HB3 GLU2049 2HB GLU2049 -3.748 6.349 11.041 298 HG2 GLU2049 1HG GLU2049 -2.316 8.175 11.208 299 HG3 GLU2049 2HG GLU2049 -2.373 8.529 9.475 300 HE2 GLU2049 HE GLU2049 -4.404 10.886 11.517 301 H VAL2050 H VAL2050 -3.660 5.167 6.944 302 HA VAL2050 HA VAL2050 -4.932 2.846 8.095 303 HB VAL2050 HB VAL2050 -4.880 4.167 5.392 304 HG11 VAL2050 1HG1 VAL2050 -4.838 1.805 4.889 305 HG12 VAL2050 2HG1 VAL2050 -6.105 1.481 6.096 306 HG13 VAL2050 3HG1 VAL2050 -6.490 2.413 4.631 307 HG21 VAL2050 3HG2 VAL2050 -7.359 3.464 6.915 308 HG22 VAL2050 1HG2 VAL2050 -6.358 4.813 7.498 309 HG23 VAL2050 2HG2 VAL2050 -7.025 4.848 5.849 310 H LEU2051 H LEU2051 -2.234 3.663 5.843 311 HA LEU2051 HA LEU2051 -1.623 0.907 5.400 312 HB2 LEU2051 1HB LEU2051 -0.129 3.444 4.759 313 HB3 LEU2051 2HB LEU2051 0.334 1.824 4.209 314 HG LEU2051 HG LEU2051 -1.113 1.885 2.508 315 HD11 LEU2051 1HD1 LEU2051 -2.977 1.520 4.157 316 HD12 LEU2051 2HD1 LEU2051 -3.228 3.282 4.162 317 HD13 LEU2051 3HD1 LEU2051 -3.441 2.356 2.656 318 HD21 LEU2051 3HD2 LEU2051 -0.105 4.310 2.762 319 HD22 LEU2051 1HD2 LEU2051 -1.318 3.937 1.514 320 HD23 LEU2051 2HD2 LEU2051 -1.811 4.748 3.019 321 H GLU2052 H GLU2052 -0.265 3.620 7.364 322 HA GLU2052 HA GLU2052 1.968 2.651 8.306 323 HB2 GLU2052 1HB GLU2052 -0.087 4.403 9.302 324 HB3 GLU2052 2HB GLU2052 0.556 3.467 10.663 325 HG2 GLU2052 1HG GLU2052 2.518 4.617 8.707 326 HG3 GLU2052 2HG GLU2052 1.706 5.754 9.793 327 HE2 GLU2052 HE GLU2052 4.787 4.192 11.236 328 HA PRO2053 HA PRO2053 -0.193 -0.351 11.271 329 HB2 PRO2053 1HB PRO2053 -2.897 -0.708 11.133 330 HB3 PRO2053 2HB PRO2053 -2.126 0.389 12.277 331 HG2 PRO2053 1HG PRO2053 -3.565 0.971 9.768 332 HG3 PRO2053 2HG PRO2053 -3.217 2.077 11.147 333 HD2 PRO2053 1HD PRO2053 -1.949 1.973 8.582 334 HD3 PRO2053 2HD PRO2053 -1.462 2.971 9.958 335 H LEU2054 H LEU2054 -2.164 -0.352 8.338 336 HA LEU2054 HA LEU2054 -2.350 -3.058 8.033 337 HB2 LEU2054 1HB LEU2054 -2.255 -0.759 6.125 338 HB3 LEU2054 2HB LEU2054 -2.359 -2.420 5.516 339 HG LEU2054 HG LEU2054 -4.345 -0.924 7.236 340 HD11 LEU2054 1HD1 LEU2054 -4.116 -0.857 4.566 341 HD12 LEU2054 2HD1 LEU2054 -5.115 -2.323 4.730 342 HD13 LEU2054 3HD1 LEU2054 -5.680 -0.779 5.412 343 HD21 LEU2054 3HD2 LEU2054 -5.660 -3.184 6.850 344 HD22 LEU2054 1HD2 LEU2054 -4.013 -3.863 6.805 345 HD23 LEU2054 2HD2 LEU2054 -4.568 -2.964 8.239 346 H HIS2055 H HIS2055 0.227 -0.891 6.661 347 HA HIS2055 HA HIS2055 1.733 -2.972 5.612 348 HB2 HIS2055 1HB HIS2055 2.451 -0.176 6.494 349 HB3 HIS2055 2HB HIS2055 3.604 -1.255 5.698 350 HD1 HIS2055 1HD HIS2055 3.122 1.229 4.178 351 HD2 HIS2055 2HD HIS2055 0.554 -2.069 3.821 352 HE1 HIS2055 1HE HIS2055 1.914 1.501 1.946 353 HE2 HIS2055 2HE HIS2055 0.344 -0.556 1.774 354 H ALA2056 H ALA2056 1.976 -1.230 8.782 355 HA ALA2056 HA ALA2056 4.184 -2.523 9.771 356 HB1 ALA2056 3HB ALA2056 3.047 -2.041 12.025 357 HB2 ALA2056 1HB ALA2056 3.287 -0.654 10.937 358 HB3 ALA2056 2HB ALA2056 1.680 -1.408 11.075 359 H MET2057 H MET2057 0.696 -3.504 9.980 360 HA MET2057 HA MET2057 1.023 -5.726 11.499 361 HB2 MET2057 1HB MET2057 -1.212 -5.780 11.057 362 HB3 MET2057 2HB MET2057 -0.979 -4.539 9.816 363 HG2 MET2057 1HG MET2057 -0.527 -6.288 8.133 364 HG3 MET2057 2HG MET2057 -0.655 -7.546 9.368 365 HE1 MET2057 3HE MET2057 -2.687 -6.271 6.460 366 HE2 MET2057 1HE MET2057 -2.046 -7.864 6.927 367 HE3 MET2057 2HE MET2057 -3.803 -7.586 6.896 368 H MET2058 H MET2058 1.568 -5.311 7.970 369 HA MET2058 HA MET2058 1.871 -8.041 7.447 370 HB2 MET2058 1HB MET2058 2.866 -5.506 6.054 371 HB3 MET2058 2HB MET2058 3.026 -7.117 5.333 372 HG2 MET2058 1HG MET2058 0.294 -6.486 6.303 373 HG3 MET2058 2HG MET2058 0.850 -5.415 5.012 374 HE1 MET2058 3HE MET2058 -1.482 -7.192 5.137 375 HE2 MET2058 1HE MET2058 -1.548 -8.320 3.762 376 HE3 MET2058 2HE MET2058 -1.049 -8.902 5.369 377 H GLU2059 H GLU2059 4.074 -5.475 8.583 378 HA GLU2059 HA GLU2059 6.413 -6.955 8.055 379 HB2 GLU2059 1HB GLU2059 6.158 -4.742 10.106 380 HB3 GLU2059 2HB GLU2059 7.572 -5.165 9.126 381 HG2 GLU2059 1HG GLU2059 5.074 -3.668 8.362 382 HG3 GLU2059 2HG GLU2059 6.762 -3.284 7.988 383 HE2 GLU2059 HE GLU2059 6.683 -6.000 5.530 384 H ARG2060 H ARG2060 4.820 -5.997 11.189 385 HA ARG2060 HA ARG2060 6.347 -7.859 12.621 386 HB2 ARG2060 1HB ARG2060 4.861 -7.256 14.519 387 HB3 ARG2060 2HB ARG2060 5.408 -5.805 13.659 388 HG2 ARG2060 1HG ARG2060 3.252 -5.800 12.389 389 HG3 ARG2060 2HG ARG2060 2.707 -7.200 13.329 390 HD2 ARG2060 1HD ARG2060 2.004 -5.825 14.974 391 HD3 ARG2060 2HD ARG2060 3.639 -5.172 15.164 392 HE ARG2060 HE ARG2060 2.570 -3.930 12.881 393 HH11 ARG2060 2HH2 ARG2060 1.734 -4.110 16.319 394 HH12 ARG2060 1HH2 ARG2060 0.976 -2.553 16.345 395 H GLY2061 H GLY2061 3.479 -8.068 10.673 396 HA2 GLY2061 2HA GLY2061 2.767 -10.663 11.906 397 HA3 GLY2061 3HA GLY2061 1.629 -9.584 11.122 398 HA PRO2062 HA PRO2062 4.349 -11.567 7.762 399 HB2 PRO2062 1HB PRO2062 5.943 -13.676 8.452 400 HB3 PRO2062 2HB PRO2062 6.538 -12.023 8.311 401 HG2 PRO2062 1HG PRO2062 5.915 -13.617 10.714 402 HG3 PRO2062 2HG PRO2062 6.953 -12.152 10.576 403 HD2 PRO2062 1HD PRO2062 4.305 -12.363 11.644 404 HD3 PRO2062 2HD PRO2062 5.222 -10.874 11.383 405 H GLN2063 H GLN2063 4.793 -14.223 7.013 406 HA GLN2063 HA GLN2063 2.389 -15.547 7.887 407 HB2 GLN2063 1HB GLN2063 2.593 -14.150 5.363 408 HB3 GLN2063 2HB GLN2063 2.408 -15.886 5.057 409 HG2 GLN2063 1HG GLN2063 0.640 -14.930 7.198 410 HG3 GLN2063 2HG GLN2063 0.361 -14.061 5.682 411 HE21 GLN2063 1HE2 GLN2063 -1.415 -15.853 7.004 412 HE22 GLN2063 2HE2 GLN2063 -1.720 -17.203 5.961 413 H THR2064 H THR2064 4.485 -16.003 4.969 414 HA THR2064 HA THR2064 6.012 -18.070 6.254 415 HB THR2064 HB THR2064 5.156 -19.834 4.613 416 HG1 THR2064 1HG THR2064 3.257 -17.615 4.327 417 HG21 THR2064 3HG2 THR2064 3.177 -20.403 5.852 418 HG22 THR2064 1HG2 THR2064 4.199 -19.538 7.026 419 HG23 THR2064 2HG2 THR2064 2.837 -18.700 6.240 420 H LEU2065 H LEU2065 7.124 -19.353 4.140 421 HA LEU2065 HA LEU2065 8.853 -17.393 3.149 422 HB2 LEU2065 1HB LEU2065 8.818 -20.119 3.388 423 HB3 LEU2065 2HB LEU2065 8.729 -19.891 1.631 424 HG LEU2065 HG LEU2065 10.999 -20.058 2.010 425 HD11 LEU2065 1HD1 LEU2065 11.850 -18.101 1.232 426 HD12 LEU2065 2HD1 LEU2065 10.120 -17.739 1.028 427 HD13 LEU2065 3HD1 LEU2065 11.001 -17.112 2.443 428 HD21 LEU2065 3HD2 LEU2065 12.085 -18.671 3.943 429 HD22 LEU2065 1HD2 LEU2065 10.440 -18.699 4.624 430 HD23 LEU2065 2HD2 LEU2065 11.291 -20.226 4.288 431 H LYS2066 H LYS2066 5.824 -18.810 1.928 432 HA LYS2066 HA LYS2066 6.139 -17.903 -0.725 433 HB2 LYS2066 1HB LYS2066 4.321 -19.460 0.756 434 HB3 LYS2066 2HB LYS2066 3.374 -18.129 0.072 435 HG2 LYS2066 1HG LYS2066 3.325 -19.718 -1.645 436 HG3 LYS2066 2HG LYS2066 4.682 -18.695 -2.147 437 HD2 LYS2066 1HD LYS2066 5.442 -20.942 -2.380 438 HD3 LYS2066 2HD LYS2066 6.199 -20.356 -0.887 439 HE2 LYS2066 1HE LYS2066 5.258 -22.072 0.228 440 HE3 LYS2066 2HE LYS2066 3.650 -21.444 -0.166 441 HZ1 LYS2066 2HZ LYS2066 4.036 -23.739 -0.978 442 HZ3 LYS2066 1HZ LYS2066 5.232 -23.217 -1.951 443 H GLU2067 H GLU2067 4.780 -16.489 2.283 444 HA GLU2067 HA GLU2067 3.806 -14.217 0.879 445 HB2 GLU2067 1HB GLU2067 3.221 -15.393 3.284 446 HB3 GLU2067 2HB GLU2067 4.191 -14.011 3.820 447 HG2 GLU2067 1HG GLU2067 2.214 -12.888 3.692 448 HG3 GLU2067 2HG GLU2067 2.563 -12.814 1.957 449 HE2 GLU2067 HE GLU2067 -0.573 -14.765 3.230 450 H THR2068 H THR2068 6.852 -15.261 2.198 451 HA THR2068 HA THR2068 7.941 -12.777 2.926 452 HB THR2068 HB THR2068 9.176 -15.402 1.941 453 HG1 THR2068 1HG THR2068 7.796 -15.239 3.957 454 HG21 THR2068 3HG2 THR2068 10.448 -13.157 3.589 455 HG22 THR2068 1HG2 THR2068 11.231 -14.662 3.050 456 HG23 THR2068 2HG2 THR2068 10.783 -13.415 1.861 457 H SER2069 H SER2069 7.579 -14.425 -0.222 458 HA SER2069 HA SER2069 9.328 -12.680 -1.551 459 HB2 SER2069 1HB SER2069 7.857 -15.009 -2.150 460 HB3 SER2069 2HB SER2069 7.244 -13.783 -3.274 461 HG SER2069 HG SER2069 9.966 -14.684 -2.909 462 H PHE2070 H PHE2070 5.829 -12.690 -0.788 463 HA PHE2070 HA PHE2070 5.065 -10.669 -2.553 464 HB2 PHE2070 1HB PHE2070 3.519 -12.189 -1.347 465 HB3 PHE2070 2HB PHE2070 4.098 -11.596 0.216 466 HD1 PHE2070 2HD PHE2070 3.484 -9.304 0.948 467 HD2 PHE2070 1HD PHE2070 1.850 -11.032 -2.566 468 HE1 PHE2070 2HE PHE2070 1.655 -7.586 0.955 469 HE2 PHE2070 1HE PHE2070 0.020 -9.313 -2.559 470 HZ PHE2070 HZ PHE2070 -0.055 -7.611 -0.800 471 H ASN2071 H ASN2071 5.972 -10.540 0.964 472 HA ASN2071 HA ASN2071 5.644 -7.817 1.201 473 HB2 ASN2071 1HB ASN2071 6.591 -9.997 2.794 474 HB3 ASN2071 2HB ASN2071 7.841 -8.746 2.873 475 HD21 ASN2071 1HD2 ASN2071 7.580 -7.844 4.787 476 HD22 ASN2071 2HD2 ASN2071 6.121 -7.149 5.411 477 H GLN2072 H GLN2072 8.251 -9.854 -0.107 478 HA GLN2072 HA GLN2072 10.189 -7.772 -0.031 479 HB2 GLN2072 1HB GLN2072 10.065 -10.593 -1.058 480 HB3 GLN2072 2HB GLN2072 11.360 -9.538 -1.652 481 HG2 GLN2072 1HG GLN2072 11.420 -9.050 1.066 482 HG3 GLN2072 2HG GLN2072 10.961 -10.757 1.028 483 HE21 GLN2072 1HE2 GLN2072 13.473 -8.908 1.489 484 HE22 GLN2072 2HE2 GLN2072 14.760 -9.783 0.727 485 H ALA2073 H ALA2073 7.925 -9.218 -2.411 486 HA ALA2073 HA ALA2073 8.940 -8.024 -4.701 487 HB1 ALA2073 3HB ALA2073 5.984 -8.431 -4.240 488 HB2 ALA2073 1HB ALA2073 6.954 -8.748 -5.700 489 HB3 ALA2073 2HB ALA2073 7.080 -9.833 -4.294 490 H TYR2074 H TYR2074 7.204 -6.698 -1.942 491 HA TYR2074 HA TYR2074 6.953 -4.158 -3.410 492 HB2 TYR2074 1HB TYR2074 5.434 -5.390 -1.031 493 HB3 TYR2074 2HB TYR2074 5.094 -3.784 -1.685 494 HD1 TYR2074 1HD TYR2074 4.919 -4.051 -4.505 495 HD2 TYR2074 2HD TYR2074 3.752 -6.885 -1.519 496 HE1 TYR2074 1HE TYR2074 3.257 -5.088 -6.127 497 HE2 TYR2074 2HE TYR2074 2.094 -7.911 -3.150 498 HH TYR2074 HH TYR2074 1.015 -6.423 -5.797 499 H GLY2075 H GLY2075 8.525 -5.898 -0.880 500 HA2 GLY2075 2HA GLY2075 8.850 -4.211 1.206 501 HA3 GLY2075 3HA GLY2075 10.128 -5.217 0.556 502 H ARG2076 H ARG2076 10.368 -3.944 -2.058 503 HA ARG2076 HA ARG2076 11.941 -1.734 -1.205 504 HB2 ARG2076 1HB ARG2076 12.399 -3.528 -3.091 505 HB3 ARG2076 2HB ARG2076 11.444 -2.441 -4.115 506 HG2 ARG2076 1HG ARG2076 13.326 -0.863 -2.621 507 HG3 ARG2076 2HG ARG2076 14.210 -2.219 -3.348 508 HD2 ARG2076 1HD ARG2076 12.487 -1.338 -5.383 509 HD3 ARG2076 2HD ARG2076 13.037 0.162 -4.619 510 HE ARG2076 HE ARG2076 15.321 -1.460 -4.948 511 HH11 ARG2076 2HH2 ARG2076 12.921 0.086 -7.045 512 HH12 ARG2076 1HH2 ARG2076 14.014 0.256 -8.379 513 H ASP2077 H ASP2077 8.772 -2.318 -2.640 514 HA ASP2077 HA ASP2077 8.533 0.283 -3.744 515 HB2 ASP2077 1HB ASP2077 6.526 -1.924 -3.135 516 HB3 ASP2077 2HB ASP2077 6.075 -0.408 -3.935 517 HD2 ASP2077 HD ASP2077 7.011 -3.290 -6.191 518 H LEU2078 H LEU2078 7.112 -1.554 -0.936 519 HA LEU2078 HA LEU2078 5.621 0.532 0.117 520 HB2 LEU2078 1HB LEU2078 6.930 -1.809 1.495 521 HB3 LEU2078 2HB LEU2078 5.665 -0.784 2.195 522 HG LEU2078 HG LEU2078 5.499 -2.958 0.177 523 HD11 LEU2078 1HD1 LEU2078 3.129 -2.280 1.748 524 HD12 LEU2078 2HD1 LEU2078 4.027 -3.812 1.618 525 HD13 LEU2078 3HD1 LEU2078 4.577 -2.551 2.747 526 HD21 LEU2078 3HD2 LEU2078 4.749 -1.292 -1.294 527 HD22 LEU2078 1HD2 LEU2078 3.263 -1.991 -0.603 528 HD23 LEU2078 2HD2 LEU2078 3.870 -0.425 -0.010 529 H MET2079 H MET2079 9.057 -0.434 0.643 530 HA MET2079 HA MET2079 9.505 1.455 2.647 531 HB2 MET2079 1HB MET2079 11.799 0.799 2.416 532 HB3 MET2079 2HB MET2079 10.895 -0.642 1.928 533 HG2 MET2079 1HG MET2079 11.204 -0.063 -0.443 534 HG3 MET2079 2HG MET2079 11.986 1.458 -0.008 535 HE1 MET2079 3HE MET2079 13.655 1.339 1.981 536 HE2 MET2079 1HE MET2079 13.812 -0.263 2.741 537 HE3 MET2079 2HE MET2079 15.154 0.401 1.779 538 H GLU2080 H GLU2080 9.847 1.522 -0.936 539 HA GLU2080 HA GLU2080 11.169 3.985 -0.993 540 HB2 GLU2080 1HB GLU2080 11.231 2.385 -2.853 541 HB3 GLU2080 2HB GLU2080 9.492 2.588 -3.125 542 HG2 GLU2080 1HG GLU2080 9.774 4.845 -3.853 543 HG3 GLU2080 2HG GLU2080 11.422 4.939 -3.215 544 HE2 GLU2080 HE GLU2080 11.408 4.339 -6.854 545 H ALA2081 H ALA2081 7.715 3.087 -1.726 546 HA ALA2081 HA ALA2081 6.805 5.680 -2.069 547 HB1 ALA2081 3HB ALA2081 5.082 3.540 -0.833 548 HB2 ALA2081 1HB ALA2081 4.696 4.700 -2.126 549 HB3 ALA2081 2HB ALA2081 5.734 3.298 -2.471 550 H GLN2082 H GLN2082 7.121 3.641 0.892 551 HA GLN2082 HA GLN2082 5.802 5.353 2.594 552 HB2 GLN2082 1HB GLN2082 6.355 3.091 3.243 553 HB3 GLN2082 2HB GLN2082 8.092 3.407 3.101 554 HG2 GLN2082 1HG GLN2082 8.064 3.934 5.294 555 HG3 GLN2082 2HG GLN2082 7.153 5.392 4.868 556 HE21 GLN2082 1HE2 GLN2082 5.758 5.560 6.489 557 HE22 GLN2082 2HE2 GLN2082 4.586 4.373 6.956 558 H GLU2083 H GLU2083 9.198 5.319 1.427 559 HA GLU2083 HA GLU2083 10.142 7.208 3.234 560 HB2 GLU2083 1HB GLU2083 12.051 6.584 2.243 561 HB3 GLU2083 2HB GLU2083 11.136 5.715 0.999 562 HG2 GLU2083 1HG GLU2083 10.902 7.895 -0.246 563 HG3 GLU2083 2HG GLU2083 11.961 8.656 0.951 564 HE2 GLU2083 HE GLU2083 14.704 7.671 -0.805 565 H TRP2084 H TRP2084 8.504 7.457 0.055 566 HA TRP2084 HA TRP2084 8.999 10.199 -0.332 567 HB2 TRP2084 1HB TRP2084 6.939 8.288 -1.408 568 HB3 TRP2084 2HB TRP2084 6.991 9.987 -1.878 569 HD1 TRP2084 HD TRP2084 8.600 6.668 -2.663 570 HE1 TRP2084 1HE TRP2084 10.477 6.866 -4.507 571 HE3 TRP2084 3HE TRP2084 8.844 11.745 -2.612 572 HZ2 TRP2084 2HZ TRP2084 11.822 9.077 -5.711 573 HZ3 TRP2084 3HZ TRP2084 10.467 12.844 -4.152 574 HH2 TRP2084 HH TRP2084 11.924 11.596 -5.665 575 H CYS2085 H CYS2085 6.573 8.277 1.467 576 HA CYS2085 HA CYS2085 4.726 10.311 1.881 577 HB2 CYS2085 1HB CYS2085 3.963 8.175 2.359 578 HB3 CYS2085 2HB CYS2085 5.384 7.754 3.336 579 HG CYS2085 HG CYS2085 3.477 10.314 4.112 580 H ARG2086 H ARG2086 7.604 9.180 3.783 581 HA ARG2086 HA ARG2086 7.281 10.926 5.876 582 HB2 ARG2086 1HB ARG2086 9.666 9.513 4.654 583 HB3 ARG2086 2HB ARG2086 9.907 10.617 6.020 584 HG2 ARG2086 1HG ARG2086 9.226 9.020 7.450 585 HG3 ARG2086 2HG ARG2086 7.673 8.878 6.608 586 HD2 ARG2086 1HD ARG2086 8.563 6.712 6.424 587 HD3 ARG2086 2HD ARG2086 9.030 7.432 4.876 588 HE ARG2086 HE ARG2086 11.100 7.940 6.776 589 HH11 ARG2086 2HH2 ARG2086 9.680 5.207 5.023 590 HH12 ARG2086 1HH2 ARG2086 11.143 4.279 5.038 591 H LYS2087 H LYS2087 8.868 11.288 2.671 592 HA LYS2087 HA LYS2087 10.204 13.680 3.183 593 HB2 LYS2087 1HB LYS2087 9.117 12.462 0.640 594 HB3 LYS2087 2HB LYS2087 10.141 13.910 0.676 595 HG2 LYS2087 1HG LYS2087 11.989 12.703 1.565 596 HG3 LYS2087 2HG LYS2087 10.983 11.321 2.031 597 HD2 LYS2087 1HD LYS2087 11.752 10.414 0.091 598 HD3 LYS2087 2HD LYS2087 10.519 11.425 -0.680 599 HE2 LYS2087 1HE LYS2087 13.442 12.168 -0.225 600 HE3 LYS2087 2HE LYS2087 12.725 11.713 -1.779 601 HZ1 LYS2087 2HZ LYS2087 11.972 14.094 -0.168 602 HZ3 LYS2087 1HZ LYS2087 11.285 13.682 -1.585 603 H TYR2088 H TYR2088 6.842 12.968 2.110 604 HA TYR2088 HA TYR2088 6.191 15.711 1.729 605 HB2 TYR2088 1HB TYR2088 4.846 14.123 0.567 606 HB3 TYR2088 2HB TYR2088 4.874 12.976 1.910 607 HD1 TYR2088 1HD TYR2088 3.333 13.289 3.837 608 HD2 TYR2088 2HD TYR2088 3.142 15.798 0.377 609 HE1 TYR2088 1HE TYR2088 1.015 14.075 4.527 610 HE2 TYR2088 2HE TYR2088 0.824 16.576 1.079 611 HH TYR2088 HH TYR2088 -0.539 15.609 4.178 612 H MET2089 H MET2089 5.543 13.273 4.335 613 HA MET2089 HA MET2089 3.998 14.908 5.901 614 HB2 MET2089 1HB MET2089 5.924 12.621 6.508 615 HB3 MET2089 2HB MET2089 4.937 13.350 7.786 616 HG2 MET2089 1HG MET2089 3.044 12.891 5.838 617 HG3 MET2089 2HG MET2089 4.148 11.544 5.548 618 HE1 MET2089 3HE MET2089 0.945 12.083 8.354 619 HE2 MET2089 1HE MET2089 1.271 12.445 6.643 620 HE3 MET2089 2HE MET2089 0.921 10.774 7.147 621 H LYS2090 H LYS2090 7.516 14.808 5.438 622 HA LYS2090 HA LYS2090 7.912 16.577 7.715 623 HB2 LYS2090 1HB LYS2090 9.352 14.484 6.953 624 HB3 LYS2090 2HB LYS2090 10.153 15.701 5.944 625 HG2 LYS2090 1HG LYS2090 9.629 16.396 8.812 626 HG3 LYS2090 2HG LYS2090 10.900 15.204 8.493 627 HD2 LYS2090 1HD LYS2090 12.285 16.757 7.535 628 HD3 LYS2090 2HD LYS2090 10.953 17.647 6.775 629 HE2 LYS2090 1HE LYS2090 10.405 18.726 8.887 630 HE3 LYS2090 2HE LYS2090 11.563 17.714 9.769 631 HZ1 LYS2090 2HZ LYS2090 13.090 19.272 9.299 632 HZ3 LYS2090 1HZ LYS2090 12.050 20.128 8.385 633 H SER2091 H SER2091 8.675 16.452 4.163 634 HA SER2091 HA SER2091 9.324 19.188 4.131 635 HB2 SER2091 1HB SER2091 10.044 17.265 2.529 636 HB3 SER2091 2HB SER2091 8.517 17.586 1.685 637 HG SER2091 HG SER2091 10.888 18.921 1.520 638 H GLY2092 H GLY2092 6.599 17.331 2.568 639 HA2 GLY2092 2HA GLY2092 4.342 17.943 2.793 640 HA3 GLY2092 3HA GLY2092 4.813 19.591 3.160 641 H ASN2093 H ASN2093 4.573 17.131 0.554 642 HA ASN2093 HA ASN2093 4.032 19.266 -1.275 643 HB2 ASN2093 1HB ASN2093 6.635 18.100 -1.162 644 HB3 ASN2093 2HB ASN2093 5.867 17.425 -2.606 645 HD21 ASN2093 1HD2 ASN2093 5.438 18.693 -4.335 646 HD22 ASN2093 2HD2 ASN2093 5.938 20.343 -4.500 647 H VAL2094 H VAL2094 2.250 18.529 -2.447 648 HA VAL2094 HA VAL2094 1.260 15.949 -2.159 649 HB VAL2094 HB VAL2094 0.717 18.296 -3.928 650 HG11 VAL2094 1HG1 VAL2094 -0.464 15.528 -4.306 651 HG12 VAL2094 2HG1 VAL2094 -1.202 17.018 -4.942 652 HG13 VAL2094 3HG1 VAL2094 0.411 16.515 -5.503 653 HG21 VAL2094 3HG2 VAL2094 -1.197 18.546 -2.670 654 HG22 VAL2094 1HG2 VAL2094 -1.322 16.807 -2.308 655 HG23 VAL2094 2HG2 VAL2094 -0.111 17.806 -1.469 656 H LYS2095 H LYS2095 3.802 17.227 -4.176 657 HA LYS2095 HA LYS2095 3.601 15.434 -6.318 658 HB2 LYS2095 1HB LYS2095 4.884 17.473 -6.443 659 HB3 LYS2095 2HB LYS2095 5.985 16.915 -5.172 660 HG2 LYS2095 1HG LYS2095 7.084 16.507 -7.261 661 HG3 LYS2095 2HG LYS2095 6.527 14.924 -6.692 662 HD2 LYS2095 1HD LYS2095 4.352 15.750 -8.138 663 HD3 LYS2095 2HD LYS2095 5.656 16.534 -9.047 664 HE2 LYS2095 1HE LYS2095 6.595 13.928 -8.506 665 HE3 LYS2095 2HE LYS2095 4.893 13.708 -8.942 666 HZ1 LYS2095 2HZ LYS2095 7.027 14.970 -10.558 667 HZ3 LYS2095 1HZ LYS2095 5.453 15.202 -10.915 668 H ASP2096 H ASP2096 5.494 15.318 -3.228 669 HA ASP2096 HA ASP2096 6.567 12.804 -3.805 670 HB2 ASP2096 1HB ASP2096 6.309 14.585 -1.403 671 HB3 ASP2096 2HB ASP2096 6.716 12.887 -1.102 672 HD2 ASP2096 HD ASP2096 9.406 14.625 -3.461 673 H LEU2097 H LEU2097 3.650 14.029 -2.090 674 HA LEU2097 HA LEU2097 2.918 11.586 -0.905 675 HB2 LEU2097 1HB LEU2097 1.895 13.287 0.125 676 HB3 LEU2097 2HB LEU2097 1.721 14.251 -1.351 677 HG LEU2097 HG LEU2097 -0.250 13.102 -1.981 678 HD11 LEU2097 1HD1 LEU2097 0.892 10.919 -0.514 679 HD12 LEU2097 2HD1 LEU2097 -0.763 11.218 0.069 680 HD13 LEU2097 3HD1 LEU2097 -0.468 10.920 -1.662 681 HD21 LEU2097 3HD2 LEU2097 -0.052 14.463 0.465 682 HD22 LEU2097 1HD2 LEU2097 -1.509 14.207 -0.524 683 HD23 LEU2097 2HD2 LEU2097 -1.105 13.064 0.779 684 H THR2098 H THR2098 2.013 13.210 -4.008 685 HA THR2098 HA THR2098 0.172 11.269 -4.825 686 HB THR2098 HB THR2098 1.947 13.281 -6.295 687 HG1 THR2098 1HG THR2098 -0.001 14.474 -6.069 688 HG21 THR2098 3HG2 THR2098 -0.594 12.025 -7.400 689 HG22 THR2098 1HG2 THR2098 0.664 12.938 -8.270 690 HG23 THR2098 2HG2 THR2098 0.989 11.274 -7.724 691 H GLN2099 H GLN2099 3.737 11.506 -5.278 692 HA GLN2099 HA GLN2099 3.912 9.355 -7.004 693 HB2 GLN2099 1HB GLN2099 5.676 11.131 -5.621 694 HB3 GLN2099 2HB GLN2099 6.272 9.483 -5.359 695 HG2 GLN2099 1HG GLN2099 5.625 9.440 -8.044 696 HG3 GLN2099 2HG GLN2099 6.172 11.111 -7.844 697 HE21 GLN2099 1HE2 GLN2099 8.148 11.196 -8.610 698 HE22 GLN2099 2HE2 GLN2099 9.468 10.148 -8.210 699 H ALA2100 H ALA2100 4.003 9.568 -3.405 700 HA ALA2100 HA ALA2100 4.724 6.940 -2.890 701 HB1 ALA2100 3HB ALA2100 3.938 7.385 -0.671 702 HB2 ALA2100 1HB ALA2100 4.563 8.928 -1.301 703 HB3 ALA2100 2HB ALA2100 2.808 8.634 -1.248 704 H TRP2101 H TRP2101 1.493 8.452 -3.468 705 HA TRP2101 HA TRP2101 0.039 6.086 -2.993 706 HB2 TRP2101 1HB TRP2101 -0.472 8.804 -3.705 707 HB3 TRP2101 2HB TRP2101 -1.359 7.754 -4.811 708 HD1 TRP2101 HD TRP2101 -2.081 9.500 -1.790 709 HE1 TRP2101 1HE TRP2101 -3.908 8.401 -0.237 710 HE3 TRP2101 3HE TRP2101 -1.895 4.897 -3.944 711 HZ2 TRP2101 2HZ TRP2101 -5.046 5.787 -0.087 712 HZ3 TRP2101 3HZ TRP2101 -3.397 3.128 -3.032 713 HH2 TRP2101 HH TRP2101 -4.933 3.513 -1.172 714 H ASP2102 H ASP2102 1.836 7.452 -5.743 715 HA ASP2102 HA ASP2102 0.654 5.927 -7.730 716 HB2 ASP2102 1HB ASP2102 2.587 7.885 -7.587 717 HB3 ASP2102 2HB ASP2102 3.569 6.471 -8.004 718 HD2 ASP2102 HD ASP2102 2.425 8.197 -11.014 719 H LEU2103 H LEU2103 3.673 5.493 -5.742 720 HA LEU2103 HA LEU2103 4.473 3.082 -6.861 721 HB2 LEU2103 1HB LEU2103 4.884 4.154 -4.073 722 HB3 LEU2103 2HB LEU2103 5.798 2.826 -4.811 723 HG LEU2103 HG LEU2103 5.742 5.521 -6.132 724 HD11 LEU2103 1HD1 LEU2103 7.396 4.777 -3.710 725 HD12 LEU2103 2HD1 LEU2103 7.807 6.107 -4.820 726 HD13 LEU2103 3HD1 LEU2103 6.282 6.152 -3.900 727 HD21 LEU2103 3HD2 LEU2103 7.288 3.027 -6.320 728 HD22 LEU2103 1HD2 LEU2103 6.970 4.286 -7.538 729 HD23 LEU2103 2HD2 LEU2103 8.271 4.511 -6.346 730 H TYR2104 H TYR2104 2.311 3.789 -4.048 731 HA TYR2104 HA TYR2104 1.907 1.124 -3.321 732 HB2 TYR2104 1HB TYR2104 0.315 3.744 -3.187 733 HB3 TYR2104 2HB TYR2104 -0.273 2.281 -2.388 734 HD1 TYR2104 2HD TYR2104 2.389 1.225 -1.390 735 HD2 TYR2104 1HD TYR2104 0.701 5.155 -1.337 736 HE1 TYR2104 2HE TYR2104 3.784 1.805 0.654 737 HE2 TYR2104 1HE TYR2104 2.103 5.722 0.707 738 HH TYR2104 HH TYR2104 4.690 3.808 1.703 739 H TYR2105 H TYR2105 0.051 3.320 -5.529 740 HA TYR2105 HA TYR2105 -2.085 1.720 -6.071 741 HB2 TYR2105 1HB TYR2105 -1.411 4.088 -6.876 742 HB3 TYR2105 2HB TYR2105 -0.357 3.312 -8.063 743 HD1 TYR2105 1HD TYR2105 -3.107 1.209 -7.768 744 HD2 TYR2105 2HD TYR2105 -2.026 5.027 -9.367 745 HE1 TYR2105 1HE TYR2105 -5.058 1.087 -9.395 746 HE2 TYR2105 2HE TYR2105 -3.979 4.892 -10.988 747 HH TYR2105 HH TYR2105 -5.416 2.287 -11.866 748 H HIS2106 H HIS2106 1.164 1.664 -7.685 749 HA HIS2106 HA HIS2106 0.486 -0.347 -9.494 750 HB2 HIS2106 1HB HIS2106 2.510 1.326 -9.324 751 HB3 HIS2106 2HB HIS2106 3.288 -0.020 -8.483 752 HD1 HIS2106 1HD HIS2106 4.460 -1.655 -9.968 753 HD2 HIS2106 2HD HIS2106 1.479 0.475 -12.009 754 HE1 HIS2106 1HE HIS2106 4.611 -2.380 -12.410 755 HE2 HIS2106 2HE HIS2106 2.755 -1.035 -13.627 756 H VAL2107 H VAL2107 1.933 -0.420 -6.188 757 HA VAL2107 HA VAL2107 2.432 -3.169 -6.151 758 HB VAL2107 HB VAL2107 2.096 -0.995 -4.123 759 HG11 VAL2107 1HG1 VAL2107 2.758 -2.736 -2.370 760 HG12 VAL2107 2HG1 VAL2107 1.065 -2.750 -2.919 761 HG13 VAL2107 3HG1 VAL2107 2.212 -3.962 -3.540 762 HG21 VAL2107 3HG2 VAL2107 4.474 -2.324 -3.669 763 HG22 VAL2107 1HG2 VAL2107 4.279 -2.460 -5.432 764 HG23 VAL2107 2HG2 VAL2107 4.273 -0.858 -4.657 765 H PHE2108 H PHE2108 -0.340 -1.257 -4.776 766 HA PHE2108 HA PHE2108 -1.798 -3.530 -4.045 767 HB2 PHE2108 1HB PHE2108 -2.317 -0.585 -4.631 768 HB3 PHE2108 2HB PHE2108 -3.691 -1.634 -4.269 769 HD1 PHE2108 1HD PHE2108 -0.388 -0.579 -2.904 770 HD2 PHE2108 2HD PHE2108 -4.305 -1.972 -2.058 771 HE1 PHE2108 1HE PHE2108 0.027 -0.254 -0.450 772 HE2 PHE2108 2HE PHE2108 -3.892 -1.647 0.397 773 HZ PHE2108 HZ PHE2108 -1.729 -0.793 1.172 774 H ARG2109 H ARG2109 -1.393 -1.809 -7.113 775 HA ARG2109 HA ARG2109 -3.770 -2.791 -8.249 776 HB2 ARG2109 1HB ARG2109 -2.848 -0.822 -9.229 777 HB3 ARG2109 2HB ARG2109 -1.231 -1.533 -9.370 778 HG2 ARG2109 1HG ARG2109 -1.965 -3.011 -11.136 779 HG3 ARG2109 2HG ARG2109 -3.665 -2.577 -10.885 780 HD2 ARG2109 1HD ARG2109 -2.050 -0.197 -11.358 781 HD3 ARG2109 2HD ARG2109 -1.816 -1.362 -12.669 782 HE ARG2109 HE ARG2109 -4.522 -1.383 -12.428 783 HH11 ARG2109 2HH2 ARG2109 -2.257 1.338 -12.552 784 HH12 ARG2109 1HH2 ARG2109 -3.401 2.421 -13.273 785 H ARG2110 H ARG2110 -0.491 -4.011 -7.774 786 HA ARG2110 HA ARG2110 -0.640 -5.922 -9.848 787 HB2 ARG2110 1HB ARG2110 1.319 -4.942 -7.984 788 HB3 ARG2110 2HB ARG2110 1.260 -6.704 -7.814 789 HG2 ARG2110 1HG ARG2110 2.814 -6.452 -9.530 790 HG3 ARG2110 2HG ARG2110 1.323 -6.664 -10.465 791 HD2 ARG2110 1HD ARG2110 1.927 -4.732 -11.498 792 HD3 ARG2110 2HD ARG2110 1.360 -3.920 -10.031 793 HE ARG2110 HE ARG2110 3.605 -3.566 -9.380 794 HH11 ARG2110 2HH2 ARG2110 3.486 -5.721 -12.192 795 HH12 ARG2110 1HH2 ARG2110 5.189 -5.627 -12.491 796 H ILE2111 H ILE2111 -0.837 -6.015 -6.218 797 HA ILE2111 HA ILE2111 -1.158 -8.656 -5.789 798 HB ILE2111 HB ILE2111 -2.701 -7.918 -3.894 799 HG12 ILE2111 1HG1 ILE2111 -1.971 -5.193 -4.987 800 HG13 ILE2111 2HG1 ILE2111 -3.596 -5.900 -4.958 801 HG21 ILE2111 1HG2 ILE2111 -0.873 -7.523 -2.617 802 HG22 ILE2111 2HG2 ILE2111 -0.033 -8.051 -4.095 803 HG23 ILE2111 3HG2 ILE2111 -0.203 -6.315 -3.739 804 HD11 ILE2111 3HD1 ILE2111 -1.856 -5.084 -2.596 805 HD12 ILE2111 1HD1 ILE2111 -3.451 -4.442 -3.052 806 HD13 ILE2111 2HD1 ILE2111 -3.308 -6.097 -2.413 807 H SER2112 H SER2112 -3.484 -6.396 -7.268 808 HA SER2112 HA SER2112 -5.557 -8.360 -7.190 809 HB2 SER2112 1HB SER2112 -6.844 -6.655 -8.482 810 HB3 SER2112 2HB SER2112 -6.165 -6.008 -6.978 811 HG SER2112 HG SER2112 -5.846 -4.550 -8.760 812 H LYS2113 H LYS2113 -3.581 -6.662 -9.729 813 HA LYS2113 HA LYS2113 -4.523 -7.850 -11.961 814 HB2 LYS2113 1HB LYS2113 -2.214 -6.401 -11.174 815 HB3 LYS2113 2HB LYS2113 -1.670 -7.766 -12.165 816 HG2 LYS2113 1HG LYS2113 -2.497 -6.819 -14.041 817 HG3 LYS2113 2HG LYS2113 -4.074 -6.525 -13.287 818 HD2 LYS2113 1HD LYS2113 -3.087 -4.500 -12.166 819 HD3 LYS2113 2HD LYS2113 -1.584 -4.770 -13.065 820 HE2 LYS2113 1HE LYS2113 -2.691 -4.394 -15.173 821 HE3 LYS2113 2HE LYS2113 -4.294 -4.435 -14.423 822 HZ1 LYS2113 2HZ LYS2113 -4.077 -2.232 -14.134 823 HZ3 LYS2113 1HZ LYS2113 -2.555 -2.227 -14.709 824 H GLN2114 H GLN2114 -3.661 -9.668 -13.307 825 HA GLN2114 HA GLN2114 -3.428 -11.816 -13.563 826 HB2 GLN2114 1HB GLN2114 -1.071 -11.152 -13.066 827 HB3 GLN2114 2HB GLN2114 -1.320 -11.599 -11.370 828 HG2 GLN2114 1HG GLN2114 -1.891 -13.564 -13.603 829 HG3 GLN2114 2HG GLN2114 -0.238 -13.344 -13.006 830 HE21 GLN2114 1HE2 GLN2114 -2.690 -15.342 -12.834 831 HE22 GLN2114 2HE2 GLN2114 -2.633 -15.895 -11.192 Start of MODEL 24 1 H MET2014 H MET2014 -16.366 -1.524 6.964 2 HA MET2014 HA MET2014 -17.257 -2.721 4.815 3 HB2 MET2014 1HB MET2014 -15.632 -0.173 5.136 4 HB3 MET2014 2HB MET2014 -16.244 -0.619 3.534 5 HG2 MET2014 1HG MET2014 -18.140 -0.632 5.886 6 HG3 MET2014 2HG MET2014 -17.679 0.923 5.183 7 HE1 MET2014 3HE MET2014 -20.939 -1.673 3.939 8 HE2 MET2014 1HE MET2014 -19.957 -1.642 5.424 9 HE3 MET2014 2HE MET2014 -20.918 -0.217 4.962 10 H GLU2015 H GLU2015 -16.412 -4.462 3.729 11 HA GLU2015 HA GLU2015 -13.623 -4.200 2.908 12 HB2 GLU2015 1HB GLU2015 -15.218 -6.510 3.939 13 HB3 GLU2015 2HB GLU2015 -14.022 -6.865 2.680 14 HG2 GLU2015 1HG GLU2015 -12.235 -5.970 4.024 15 HG3 GLU2015 2HG GLU2015 -13.364 -5.268 5.193 16 HE2 GLU2015 HE GLU2015 -12.109 -8.373 6.570 17 H LEU2016 H LEU2016 -16.898 -4.239 1.920 18 HA LEU2016 HA LEU2016 -17.856 -4.175 -0.069 19 HB2 LEU2016 1HB LEU2016 -14.994 -3.920 -0.902 20 HB3 LEU2016 2HB LEU2016 -16.271 -4.077 -2.119 21 HG LEU2016 HG LEU2016 -15.561 -1.738 -1.661 22 HD11 LEU2016 1HD1 LEU2016 -18.360 -2.715 -1.409 23 HD12 LEU2016 2HD1 LEU2016 -18.057 -0.999 -1.044 24 HD13 LEU2016 3HD1 LEU2016 -17.608 -1.663 -2.633 25 HD21 LEU2016 3HD2 LEU2016 -16.159 -0.634 0.407 26 HD22 LEU2016 1HD2 LEU2016 -16.847 -2.143 1.053 27 HD23 LEU2016 2HD2 LEU2016 -15.096 -2.020 0.751 28 H ILE2017 H ILE2017 -15.491 -5.833 -1.961 29 HA ILE2017 HA ILE2017 -16.575 -8.442 -1.257 30 HB ILE2017 HB ILE2017 -16.569 -7.561 -4.128 31 HG12 ILE2017 1HG1 ILE2017 -19.154 -7.429 -3.659 32 HG13 ILE2017 2HG1 ILE2017 -18.625 -6.994 -2.024 33 HG21 ILE2017 1HG2 ILE2017 -18.338 -9.405 -4.194 34 HG22 ILE2017 2HG2 ILE2017 -16.645 -9.899 -3.945 35 HG23 ILE2017 3HG2 ILE2017 -17.769 -9.847 -2.566 36 HD11 ILE2017 3HD1 ILE2017 -18.576 -5.414 -4.493 37 HD12 ILE2017 1HD1 ILE2017 -18.377 -4.879 -2.807 38 HD13 ILE2017 2HD1 ILE2017 -16.973 -5.477 -3.722 39 H ARG2018 H ARG2018 -14.824 -9.669 -0.851 40 HA ARG2018 HA ARG2018 -12.913 -10.130 -2.758 41 HB2 ARG2018 1HB ARG2018 -12.190 -7.781 -2.141 42 HB3 ARG2018 2HB ARG2018 -11.849 -8.358 -0.501 43 HG2 ARG2018 1HG ARG2018 -9.821 -9.058 -1.179 44 HG3 ARG2018 2HG ARG2018 -10.571 -10.153 -2.350 45 HD2 ARG2018 1HD ARG2018 -10.380 -7.226 -3.028 46 HD3 ARG2018 2HD ARG2018 -8.903 -8.197 -3.122 47 HE ARG2018 HE ARG2018 -11.217 -8.331 -4.905 48 HH11 ARG2018 2HH2 ARG2018 -8.457 -10.159 -3.641 49 HH12 ARG2018 1HH2 ARG2018 -8.399 -11.244 -4.990 50 H VAL2019 H VAL2019 -11.432 -11.836 -2.052 51 HA VAL2019 HA VAL2019 -12.349 -13.651 -0.328 52 HB VAL2019 HB VAL2019 -9.489 -12.913 -0.957 53 HG11 VAL2019 1HG1 VAL2019 -10.307 -15.648 -0.010 54 HG12 VAL2019 2HG1 VAL2019 -8.706 -14.876 0.000 55 HG13 VAL2019 3HG1 VAL2019 -9.944 -14.368 1.172 56 HG21 VAL2019 3HG2 VAL2019 -10.905 -15.301 -2.077 57 HG22 VAL2019 1HG2 VAL2019 -11.310 -13.692 -2.723 58 HG23 VAL2019 2HG2 VAL2019 -9.632 -14.283 -2.794 59 HA PRO2020 HA PRO2020 -11.940 -12.026 3.661 60 HB2 PRO2020 1HB PRO2020 -12.204 -14.313 5.133 61 HB3 PRO2020 2HB PRO2020 -13.577 -13.430 4.469 62 HG2 PRO2020 1HG PRO2020 -12.308 -15.929 3.551 63 HG3 PRO2020 2HG PRO2020 -13.958 -15.307 3.186 64 HD2 PRO2020 1HD PRO2020 -11.647 -15.332 1.493 65 HD3 PRO2020 2HD PRO2020 -13.202 -14.565 1.144 66 H ILE2021 H ILE2021 -10.555 -15.084 4.520 67 HA ILE2021 HA ILE2021 -8.365 -13.829 5.738 68 HB ILE2021 HB ILE2021 -7.511 -16.152 5.957 69 HG12 ILE2021 1HG1 ILE2021 -9.637 -17.747 5.274 70 HG13 ILE2021 2HG1 ILE2021 -9.550 -16.632 3.898 71 HG21 ILE2021 1HG2 ILE2021 -10.322 -16.426 6.798 72 HG22 ILE2021 2HG2 ILE2021 -8.821 -16.452 7.753 73 HG23 ILE2021 3HG2 ILE2021 -9.543 -14.899 7.275 74 HD11 ILE2021 3HD1 ILE2021 -6.870 -17.281 4.406 75 HD12 ILE2021 1HD1 ILE2021 -7.738 -18.813 4.675 76 HD13 ILE2021 2HD1 ILE2021 -7.887 -17.967 3.116 77 H LEU2022 H LEU2022 -7.540 -12.397 4.069 78 HA LEU2022 HA LEU2022 -5.464 -13.669 2.577 79 HB2 LEU2022 1HB LEU2022 -7.910 -13.467 1.304 80 HB3 LEU2022 2HB LEU2022 -7.008 -12.062 0.709 81 HG LEU2022 HG LEU2022 -5.161 -13.625 0.062 82 HD11 LEU2022 1HD1 LEU2022 -5.817 -16.058 -0.167 83 HD12 LEU2022 2HD1 LEU2022 -5.485 -15.489 1.486 84 HD13 LEU2022 3HD1 LEU2022 -7.164 -15.710 0.943 85 HD21 LEU2022 3HD2 LEU2022 -7.514 -12.999 -1.263 86 HD22 LEU2022 1HD2 LEU2022 -6.034 -13.679 -1.986 87 HD23 LEU2022 2HD2 LEU2022 -7.357 -14.759 -1.483 88 H TRP2023 H TRP2023 -3.943 -12.071 1.692 89 HA TRP2023 HA TRP2023 -3.855 -9.767 3.391 90 HB2 TRP2023 1HB TRP2023 -2.046 -11.179 1.533 91 HB3 TRP2023 2HB TRP2023 -1.785 -9.441 1.689 92 HD1 TRP2023 HD TRP2023 -2.998 -11.061 4.885 93 HE1 TRP2023 1HE TRP2023 -1.077 -11.302 6.677 94 HE3 TRP2023 3HE TRP2023 0.815 -9.897 1.726 95 HZ2 TRP2023 2HZ TRP2023 1.757 -10.986 6.577 96 HZ3 TRP2023 3HZ TRP2023 3.129 -9.886 2.655 97 HH2 TRP2023 HH TRP2023 3.630 -10.405 4.990 98 H HIS2024 H HIS2024 -4.097 -10.451 -0.170 99 HA HIS2024 HA HIS2024 -4.202 -7.910 -1.096 100 HB2 HIS2024 1HB HIS2024 -6.095 -9.940 -2.215 101 HB3 HIS2024 2HB HIS2024 -5.050 -8.789 -3.058 102 HD1 HIS2024 1HD HIS2024 -5.334 -12.159 -3.087 103 HD2 HIS2024 2HD HIS2024 -2.137 -9.730 -1.875 104 HE1 HIS2024 1HE HIS2024 -3.237 -13.606 -3.242 105 HE2 HIS2024 2HE HIS2024 -1.296 -12.064 -2.483 106 H GLU2025 H GLU2025 -6.496 -9.541 0.974 107 HA GLU2025 HA GLU2025 -8.741 -8.030 0.258 108 HB2 GLU2025 1HB GLU2025 -9.119 -10.075 1.397 109 HB3 GLU2025 2HB GLU2025 -7.995 -9.667 2.705 110 HG2 GLU2025 1HG GLU2025 -10.335 -9.440 3.444 111 HG3 GLU2025 2HG GLU2025 -9.535 -7.860 3.452 112 HE2 GLU2025 HE GLU2025 -12.814 -8.250 1.463 113 H MET2026 H MET2026 -6.011 -7.559 2.513 114 HA MET2026 HA MET2026 -7.255 -5.331 3.776 115 HB2 MET2026 1HB MET2026 -5.265 -5.274 5.098 116 HB3 MET2026 2HB MET2026 -5.447 -6.992 4.710 117 HG2 MET2026 1HG MET2026 -3.219 -6.706 4.140 118 HG3 MET2026 2HG MET2026 -3.947 -6.281 2.589 119 HE1 MET2026 3HE MET2026 -1.064 -4.798 4.830 120 HE2 MET2026 1HE MET2026 -1.275 -5.773 3.355 121 HE3 MET2026 2HE MET2026 -0.849 -4.049 3.228 122 H TRP2027 H TRP2027 -5.011 -5.908 1.067 123 HA TRP2027 HA TRP2027 -4.060 -3.260 0.873 124 HB2 TRP2027 1HB TRP2027 -4.196 -5.544 -1.089 125 HB3 TRP2027 2HB TRP2027 -3.440 -3.992 -1.454 126 HD1 TRP2027 HD TRP2027 -2.999 -6.943 1.056 127 HE1 TRP2027 1HE TRP2027 -0.478 -7.158 1.804 128 HE3 TRP2027 3HE TRP2027 -1.372 -2.795 -1.391 129 HZ2 TRP2027 2HZ TRP2027 1.861 -5.604 1.301 130 HZ3 TRP2027 3HZ TRP2027 1.045 -2.213 -1.212 131 HH2 TRP2027 HH TRP2027 2.642 -3.540 0.078 132 H HIS2028 H HIS2028 -6.732 -5.136 -0.707 133 HA HIS2028 HA HIS2028 -7.583 -3.003 -2.310 134 HB2 HIS2028 1HB HIS2028 -8.286 -5.723 -1.815 135 HB3 HIS2028 2HB HIS2028 -9.761 -4.752 -1.724 136 HD1 HIS2028 1HD HIS2028 -10.441 -3.417 -3.917 137 HD2 HIS2028 2HD HIS2028 -7.202 -6.046 -4.357 138 HE1 HIS2028 1HE HIS2028 -10.097 -3.714 -6.427 139 HE2 HIS2028 2HE HIS2028 -8.092 -5.345 -6.645 140 H GLU2029 H GLU2029 -8.953 -4.365 0.773 141 HA GLU2029 HA GLU2029 -10.851 -2.376 1.049 142 HB2 GLU2029 1HB GLU2029 -11.264 -3.287 3.182 143 HB3 GLU2029 2HB GLU2029 -10.622 -4.660 2.262 144 HG2 GLU2029 1HG GLU2029 -9.321 -4.841 4.158 145 HG3 GLU2029 2HG GLU2029 -8.294 -3.728 3.239 146 HE2 GLU2029 HE GLU2029 -8.960 -2.459 6.637 147 H GLY2030 H GLY2030 -7.404 -2.548 1.966 148 HA2 GLY2030 2HA GLY2030 -7.268 -0.462 3.796 149 HA3 GLY2030 3HA GLY2030 -5.980 -0.992 2.733 150 H LEU2031 H LEU2031 -6.449 -0.314 0.249 151 HA LEU2031 HA LEU2031 -6.287 2.468 0.205 152 HB2 LEU2031 1HB LEU2031 -6.926 0.616 -2.081 153 HB3 LEU2031 2HB LEU2031 -6.225 2.240 -2.184 154 HG LEU2031 HG LEU2031 -4.969 -0.367 -1.467 155 HD11 LEU2031 1HD1 LEU2031 -4.542 1.868 -3.344 156 HD12 LEU2031 2HD1 LEU2031 -3.061 1.179 -2.636 157 HD13 LEU2031 3HD1 LEU2031 -4.197 0.129 -3.517 158 HD21 LEU2031 3HD2 LEU2031 -4.343 2.233 -0.117 159 HD22 LEU2031 1HD2 LEU2031 -4.342 0.575 0.532 160 HD23 LEU2031 2HD2 LEU2031 -3.016 1.117 -0.525 161 H GLU2032 H GLU2032 -9.020 0.209 -0.055 162 HA GLU2032 HA GLU2032 -10.838 1.843 -1.265 163 HB2 GLU2032 1HB GLU2032 -10.940 -0.473 0.606 164 HB3 GLU2032 2HB GLU2032 -12.431 0.473 0.472 165 HG2 GLU2032 1HG GLU2032 -12.437 0.168 -1.963 166 HG3 GLU2032 2HG GLU2032 -10.879 -0.670 -1.898 167 HE2 GLU2032 HE GLU2032 -13.286 -3.289 -2.012 168 H GLU2033 H GLU2033 -9.977 1.576 2.244 169 HA GLU2033 HA GLU2033 -11.839 3.607 2.929 170 HB2 GLU2033 1HB GLU2033 -10.897 1.602 4.346 171 HB3 GLU2033 2HB GLU2033 -9.580 2.723 4.732 172 HG2 GLU2033 1HG GLU2033 -12.511 2.878 5.422 173 HG3 GLU2033 2HG GLU2033 -11.106 3.150 6.465 174 HE2 GLU2033 HE GLU2033 -12.596 6.114 4.239 175 H ALA2034 H ALA2034 -8.226 3.335 2.731 176 HA ALA2034 HA ALA2034 -7.612 5.896 3.537 177 HB1 ALA2034 3HB ALA2034 -5.894 4.248 3.306 178 HB2 ALA2034 1HB ALA2034 -6.294 3.968 1.594 179 HB3 ALA2034 2HB ALA2034 -5.540 5.503 2.093 180 H SER2035 H SER2035 -8.445 4.634 0.250 181 HA SER2035 HA SER2035 -8.063 7.101 -0.996 182 HB2 SER2035 1HB SER2035 -8.031 5.040 -2.268 183 HB3 SER2035 2HB SER2035 -9.694 4.650 -1.789 184 HG SER2035 HG SER2035 -9.046 5.820 -3.997 185 H ARG2036 H ARG2036 -10.938 5.409 0.390 186 HA ARG2036 HA ARG2036 -12.865 7.105 -0.500 187 HB2 ARG2036 1HB ARG2036 -12.552 5.102 1.604 188 HB3 ARG2036 2HB ARG2036 -13.628 6.402 2.146 189 HG2 ARG2036 1HG ARG2036 -14.878 6.122 -0.058 190 HG3 ARG2036 2HG ARG2036 -13.912 4.663 -0.342 191 HD2 ARG2036 1HD ARG2036 -15.446 3.524 0.862 192 HD3 ARG2036 2HD ARG2036 -14.906 4.403 2.301 193 HE ARG2036 HE ARG2036 -16.698 6.094 0.896 194 HH11 ARG2036 2HH2 ARG2036 -16.804 2.994 2.612 195 HH12 ARG2036 1HH2 ARG2036 -18.467 3.161 3.066 196 H LEU2037 H LEU2037 -10.956 7.259 2.592 197 HA LEU2037 HA LEU2037 -12.141 9.701 3.405 198 HB2 LEU2037 1HB LEU2037 -10.617 9.641 5.196 199 HB3 LEU2037 2HB LEU2037 -11.175 7.982 4.908 200 HG LEU2037 HG LEU2037 -8.938 7.852 3.492 201 HD11 LEU2037 1HD1 LEU2037 -7.123 9.157 4.531 202 HD12 LEU2037 2HD1 LEU2037 -8.318 10.187 3.705 203 HD13 LEU2037 3HD1 LEU2037 -8.330 10.057 5.480 204 HD21 LEU2037 3HD2 LEU2037 -9.573 7.370 6.330 205 HD22 LEU2037 1HD2 LEU2037 -8.884 6.286 5.098 206 HD23 LEU2037 2HD2 LEU2037 -7.835 7.445 5.952 207 H TYR2038 H TYR2038 -9.149 8.770 1.639 208 HA TYR2038 HA TYR2038 -7.873 11.207 1.636 209 HB2 TYR2038 1HB TYR2038 -6.886 9.149 0.751 210 HB3 TYR2038 2HB TYR2038 -8.231 8.908 -0.367 211 HD1 TYR2038 1HD TYR2038 -5.435 11.295 0.370 212 HD2 TYR2038 2HD TYR2038 -7.989 9.564 -2.596 213 HE1 TYR2038 1HE TYR2038 -4.113 12.460 -1.461 214 HE2 TYR2038 2HE TYR2038 -6.658 10.735 -4.416 215 HH TYR2038 HH TYR2038 -5.210 12.428 -4.778 216 H PHE2039 H PHE2039 -10.206 9.917 -0.839 217 HA PHE2039 HA PHE2039 -10.256 12.429 -2.190 218 HB2 PHE2039 1HB PHE2039 -11.761 9.769 -2.248 219 HB3 PHE2039 2HB PHE2039 -12.289 11.099 -3.283 220 HD1 PHE2039 1HD PHE2039 -10.395 12.138 -4.785 221 HD2 PHE2039 2HD PHE2039 -10.222 8.265 -3.059 222 HE1 PHE2039 1HE PHE2039 -8.708 11.446 -6.510 223 HE2 PHE2039 2HE PHE2039 -8.533 7.573 -4.784 224 HZ PHE2039 HZ PHE2039 -7.798 9.172 -6.488 225 H GLY2040 H GLY2040 -12.431 10.621 0.057 226 HA2 GLY2040 2HA GLY2040 -14.528 12.563 -0.079 227 HA3 GLY2040 3HA GLY2040 -14.373 11.230 1.046 228 H GLU2041 H GLU2041 -12.579 11.498 2.791 229 HA GLU2041 HA GLU2041 -13.172 13.692 4.294 230 HB2 GLU2041 1HB GLU2041 -12.018 11.447 4.906 231 HB3 GLU2041 2HB GLU2041 -10.501 12.270 4.511 232 HG2 GLU2041 1HG GLU2041 -10.861 12.517 6.878 233 HG3 GLU2041 2HG GLU2041 -11.182 14.098 6.149 234 HE2 GLU2041 HE GLU2041 -14.531 14.043 6.976 235 H ARG2042 H ARG2042 -10.584 13.198 1.868 236 HA ARG2042 HA ARG2042 -9.542 14.729 0.686 237 HB2 ARG2042 1HB ARG2042 -11.417 16.363 1.427 238 HB3 ARG2042 2HB ARG2042 -10.278 16.934 2.658 239 HG2 ARG2042 1HG ARG2042 -10.312 18.254 0.482 240 HG3 ARG2042 2HG ARG2042 -8.712 17.675 0.979 241 HD2 ARG2042 1HD ARG2042 -8.579 16.165 -0.764 242 HD3 ARG2042 2HD ARG2042 -10.323 15.860 -0.789 243 HE ARG2042 HE ARG2042 -9.835 18.562 -1.602 244 HH11 ARG2042 2HH2 ARG2042 -9.370 15.256 -2.794 245 HH12 ARG2042 1HH2 ARG2042 -9.439 15.717 -4.463 246 H ASN2043 H ASN2043 -8.875 13.419 3.501 247 HA ASN2043 HA ASN2043 -6.497 15.036 3.982 248 HB2 ASN2043 1HB ASN2043 -8.346 13.485 5.752 249 HB3 ASN2043 2HB ASN2043 -6.630 13.369 6.166 250 HD21 ASN2043 1HD2 ASN2043 -8.633 14.546 7.758 251 HD22 ASN2043 2HD2 ASN2043 -8.303 16.237 7.935 252 H VAL2044 H VAL2044 -4.508 14.014 3.566 253 HA VAL2044 HA VAL2044 -4.606 11.331 2.527 254 HB VAL2044 HB VAL2044 -2.245 11.756 1.998 255 HG11 VAL2044 1HG1 VAL2044 -3.277 14.269 0.973 256 HG12 VAL2044 2HG1 VAL2044 -2.928 12.748 0.117 257 HG13 VAL2044 3HG1 VAL2044 -4.512 12.988 0.892 258 HG21 VAL2044 3HG2 VAL2044 -2.577 13.864 3.967 259 HG22 VAL2044 1HG2 VAL2044 -1.089 13.185 3.267 260 HG23 VAL2044 2HG2 VAL2044 -1.939 14.507 2.434 261 H LYS2045 H LYS2045 -3.756 13.026 5.507 262 HA LYS2045 HA LYS2045 -1.967 11.309 6.646 263 HB2 LYS2045 1HB LYS2045 -3.145 12.020 8.823 264 HB3 LYS2045 2HB LYS2045 -2.397 13.271 7.814 265 HG2 LYS2045 1HG LYS2045 -5.232 12.625 7.178 266 HG3 LYS2045 2HG LYS2045 -4.973 13.380 8.761 267 HD2 LYS2045 1HD LYS2045 -3.422 14.664 6.619 268 HD3 LYS2045 2HD LYS2045 -5.164 14.703 6.296 269 HE2 LYS2045 1HE LYS2045 -3.817 15.621 8.876 270 HE3 LYS2045 2HE LYS2045 -4.377 16.700 7.591 271 HZ1 LYS2045 2HZ LYS2045 -6.094 16.579 9.221 272 HZ3 LYS2045 1HZ LYS2045 -6.043 14.953 9.311 273 H GLY2046 H GLY2046 -5.517 10.949 6.265 274 HA2 GLY2046 2HA GLY2046 -5.912 8.751 7.922 275 HA3 GLY2046 3HA GLY2046 -6.860 9.164 6.507 276 H MET2047 H MET2047 -5.221 8.843 4.347 277 HA MET2047 HA MET2047 -5.214 6.148 3.960 278 HB2 MET2047 1HB MET2047 -5.117 7.515 2.028 279 HB3 MET2047 2HB MET2047 -3.794 8.507 2.667 280 HG2 MET2047 1HG MET2047 -3.332 5.568 2.118 281 HG3 MET2047 2HG MET2047 -3.333 6.704 0.766 282 HE1 MET2047 3HE MET2047 -1.714 9.385 2.872 283 HE2 MET2047 1HE MET2047 -0.690 9.167 1.432 284 HE3 MET2047 2HE MET2047 -2.460 9.049 1.290 285 H PHE2048 H PHE2048 -2.539 8.296 5.068 286 HA PHE2048 HA PHE2048 -0.540 6.336 4.957 287 HB2 PHE2048 1HB PHE2048 -1.053 8.901 6.547 288 HB3 PHE2048 2HB PHE2048 0.467 8.019 6.714 289 HD1 PHE2048 1HD PHE2048 0.843 7.217 3.845 290 HD2 PHE2048 2HD PHE2048 -0.339 10.904 5.580 291 HE1 PHE2048 1HE PHE2048 1.753 8.446 1.854 292 HE2 PHE2048 2HE PHE2048 0.572 12.132 3.590 293 HZ PHE2048 HZ PHE2048 1.607 10.889 1.751 294 H GLU2049 H GLU2049 -2.935 7.273 7.458 295 HA GLU2049 HA GLU2049 -1.699 5.682 9.445 296 HB2 GLU2049 1HB GLU2049 -4.475 6.915 9.289 297 HB3 GLU2049 2HB GLU2049 -3.784 6.178 10.746 298 HG2 GLU2049 1HG GLU2049 -2.187 7.888 10.994 299 HG3 GLU2049 2HG GLU2049 -2.286 8.377 9.296 300 HE2 GLU2049 HE GLU2049 -4.253 10.478 11.769 301 H VAL2050 H VAL2050 -3.644 5.021 6.691 302 HA VAL2050 HA VAL2050 -4.954 2.719 7.839 303 HB VAL2050 HB VAL2050 -4.879 4.050 5.144 304 HG11 VAL2050 1HG1 VAL2050 -4.829 1.597 4.775 305 HG12 VAL2050 2HG1 VAL2050 -6.290 1.437 5.777 306 HG13 VAL2050 3HG1 VAL2050 -6.357 2.341 4.246 307 HG21 VAL2050 3HG2 VAL2050 -7.500 3.481 6.165 308 HG22 VAL2050 1HG2 VAL2050 -6.533 4.240 7.451 309 HG23 VAL2050 2HG2 VAL2050 -6.725 5.058 5.882 310 H LEU2051 H LEU2051 -2.249 3.488 5.576 311 HA LEU2051 HA LEU2051 -1.678 0.718 5.156 312 HB2 LEU2051 1HB LEU2051 -0.135 3.217 4.477 313 HB3 LEU2051 2HB LEU2051 0.259 1.583 3.919 314 HG LEU2051 HG LEU2051 -1.206 1.703 2.240 315 HD11 LEU2051 1HD1 LEU2051 -3.046 1.370 3.931 316 HD12 LEU2051 2HD1 LEU2051 -3.265 3.136 3.929 317 HD13 LEU2051 3HD1 LEU2051 -3.519 2.206 2.433 318 HD21 LEU2051 3HD2 LEU2051 -0.124 4.064 2.420 319 HD22 LEU2051 1HD2 LEU2051 -1.467 3.790 1.284 320 HD23 LEU2051 2HD2 LEU2051 -1.771 4.590 2.845 321 H GLU2052 H GLU2052 -0.307 3.434 7.101 322 HA GLU2052 HA GLU2052 1.937 2.461 8.029 323 HB2 GLU2052 1HB GLU2052 -0.153 4.181 9.076 324 HB3 GLU2052 2HB GLU2052 0.629 3.300 10.403 325 HG2 GLU2052 1HG GLU2052 2.314 4.597 8.256 326 HG3 GLU2052 2HG GLU2052 1.629 5.605 9.542 327 HE2 GLU2052 HE GLU2052 4.281 4.767 11.515 328 HA PRO2053 HA PRO2053 -0.229 -0.515 11.016 329 HB2 PRO2053 1HB PRO2053 -2.931 -0.880 10.865 330 HB3 PRO2053 2HB PRO2053 -2.172 0.227 12.006 331 HG2 PRO2053 1HG PRO2053 -3.597 0.784 9.483 332 HG3 PRO2053 2HG PRO2053 -3.258 1.904 10.854 333 HD2 PRO2053 1HD PRO2053 -1.973 1.781 8.297 334 HD3 PRO2053 2HD PRO2053 -1.501 2.792 9.668 335 H LEU2054 H LEU2054 -2.140 -0.529 8.048 336 HA LEU2054 HA LEU2054 -2.359 -3.231 7.759 337 HB2 LEU2054 1HB LEU2054 -2.308 -0.894 5.947 338 HB3 LEU2054 2HB LEU2054 -2.133 -2.491 5.199 339 HG LEU2054 HG LEU2054 -4.301 -3.002 5.509 340 HD11 LEU2054 1HD1 LEU2054 -5.597 -2.153 7.589 341 HD12 LEU2054 2HD1 LEU2054 -4.366 -3.423 7.789 342 HD13 LEU2054 3HD1 LEU2054 -3.985 -1.739 8.219 343 HD21 LEU2054 3HD2 LEU2054 -3.994 -0.183 5.169 344 HD22 LEU2054 1HD2 LEU2054 -5.285 -1.253 4.574 345 HD23 LEU2054 2HD2 LEU2054 -5.433 -0.483 6.172 346 H HIS2055 H HIS2055 0.310 -1.118 6.489 347 HA HIS2055 HA HIS2055 1.810 -3.226 5.482 348 HB2 HIS2055 1HB HIS2055 2.569 -0.458 6.422 349 HB3 HIS2055 2HB HIS2055 3.710 -1.557 5.637 350 HD1 HIS2055 1HD HIS2055 3.099 1.111 4.283 351 HD2 HIS2055 2HD HIS2055 0.926 -2.399 3.536 352 HE1 HIS2055 1HE HIS2055 2.022 1.412 1.991 353 HE2 HIS2055 2HE HIS2055 0.693 -0.777 1.576 354 H ALA2056 H ALA2056 2.022 -1.482 8.659 355 HA ALA2056 HA ALA2056 4.138 -2.871 9.713 356 HB1 ALA2056 3HB ALA2056 1.657 -1.912 11.191 357 HB2 ALA2056 1HB ALA2056 3.290 -2.130 11.866 358 HB3 ALA2056 2HB ALA2056 2.986 -0.852 10.664 359 H MET2057 H MET2057 0.606 -3.683 9.836 360 HA MET2057 HA MET2057 0.781 -5.903 11.378 361 HB2 MET2057 1HB MET2057 -1.440 -5.829 10.873 362 HB3 MET2057 2HB MET2057 -1.106 -4.651 9.595 363 HG2 MET2057 1HG MET2057 -0.745 -6.449 7.976 364 HG3 MET2057 2HG MET2057 -0.870 -7.675 9.240 365 HE1 MET2057 3HE MET2057 -4.052 -7.522 6.706 366 HE2 MET2057 1HE MET2057 -2.902 -6.205 6.370 367 HE3 MET2057 2HE MET2057 -2.302 -7.848 6.702 368 H MET2058 H MET2058 1.501 -5.533 7.883 369 HA MET2058 HA MET2058 1.666 -8.277 7.368 370 HB2 MET2058 1HB MET2058 2.989 -5.871 6.012 371 HB3 MET2058 2HB MET2058 2.863 -7.482 5.284 372 HG2 MET2058 1HG MET2058 0.265 -6.497 6.240 373 HG3 MET2058 2HG MET2058 0.990 -5.383 5.076 374 HE1 MET2058 3HE MET2058 -1.222 -8.732 5.166 375 HE2 MET2058 1HE MET2058 -1.563 -6.986 5.101 376 HE3 MET2058 2HE MET2058 -1.751 -7.984 3.640 377 H GLU2059 H GLU2059 3.983 -5.831 8.564 378 HA GLU2059 HA GLU2059 6.238 -7.470 8.169 379 HB2 GLU2059 1HB GLU2059 6.054 -5.222 10.186 380 HB3 GLU2059 2HB GLU2059 7.465 -5.737 9.245 381 HG2 GLU2059 1HG GLU2059 5.026 -4.185 8.348 382 HG3 GLU2059 2HG GLU2059 6.731 -3.752 8.161 383 HE2 GLU2059 HE GLU2059 7.045 -6.289 5.589 384 H ARG2060 H ARG2060 4.567 -6.364 11.214 385 HA ARG2060 HA ARG2060 5.907 -8.303 12.734 386 HB2 ARG2060 1HB ARG2060 4.383 -7.568 14.559 387 HB3 ARG2060 2HB ARG2060 5.080 -6.175 13.712 388 HG2 ARG2060 1HG ARG2060 3.007 -5.957 12.377 389 HG3 ARG2060 2HG ARG2060 2.312 -7.365 13.201 390 HD2 ARG2060 1HD ARG2060 3.303 -4.964 14.767 391 HD3 ARG2060 2HD ARG2060 1.684 -4.960 14.048 392 HE ARG2060 HE ARG2060 1.859 -7.387 15.421 393 HH11 ARG2060 2HH2 ARG2060 2.193 -3.972 16.312 394 HH12 ARG2060 1HH2 ARG2060 1.649 -4.216 17.939 395 H GLY2061 H GLY2061 3.203 -8.404 10.603 396 HA2 GLY2061 2HA GLY2061 2.254 -10.921 11.842 397 HA3 GLY2061 3HA GLY2061 1.196 -9.766 11.054 398 HA PRO2062 HA PRO2062 3.843 -11.773 7.661 399 HB2 PRO2062 1HB PRO2062 5.546 -13.805 8.312 400 HB3 PRO2062 2HB PRO2062 6.067 -12.131 8.137 401 HG2 PRO2062 1HG PRO2062 5.594 -13.726 10.574 402 HG3 PRO2062 2HG PRO2062 6.566 -12.220 10.386 403 HD2 PRO2062 1HD PRO2062 3.969 -12.531 11.550 404 HD3 PRO2062 2HD PRO2062 4.812 -11.007 11.244 405 H GLN2063 H GLN2063 4.361 -14.402 6.901 406 HA GLN2063 HA GLN2063 2.078 -15.846 7.893 407 HB2 GLN2063 1HB GLN2063 1.377 -14.363 5.902 408 HB3 GLN2063 2HB GLN2063 2.354 -15.446 4.894 409 HG2 GLN2063 1HG GLN2063 0.817 -17.119 5.017 410 HG3 GLN2063 2HG GLN2063 0.528 -16.865 6.745 411 HE21 GLN2063 1HE2 GLN2063 -1.643 -17.443 5.595 412 HE22 GLN2063 2HE2 GLN2063 -2.661 -16.098 5.199 413 H THR2064 H THR2064 4.205 -16.018 4.945 414 HA THR2064 HA THR2064 5.738 -18.161 6.096 415 HB THR2064 HB THR2064 5.009 -19.723 4.161 416 HG1 THR2064 1HG THR2064 3.430 -18.819 2.893 417 HG21 THR2064 3HG2 THR2064 3.169 -20.628 5.365 418 HG22 THR2064 1HG2 THR2064 4.076 -19.775 6.637 419 HG23 THR2064 2HG2 THR2064 2.630 -19.025 5.920 420 H LEU2065 H LEU2065 7.203 -19.118 4.189 421 HA LEU2065 HA LEU2065 8.715 -16.923 3.327 422 HB2 LEU2065 1HB LEU2065 9.158 -19.541 3.727 423 HB3 LEU2065 2HB LEU2065 9.061 -19.518 1.958 424 HG LEU2065 HG LEU2065 11.367 -19.325 2.934 425 HD11 LEU2065 1HD1 LEU2065 12.122 -18.043 1.192 426 HD12 LEU2065 2HD1 LEU2065 10.463 -18.389 0.643 427 HD13 LEU2065 3HD1 LEU2065 10.845 -16.818 1.387 428 HD21 LEU2065 3HD2 LEU2065 12.114 -17.410 4.056 429 HD22 LEU2065 1HD2 LEU2065 10.659 -16.478 3.632 430 HD23 LEU2065 2HD2 LEU2065 10.555 -17.795 4.823 431 H LYS2066 H LYS2066 5.988 -18.680 1.938 432 HA LYS2066 HA LYS2066 6.457 -17.890 -0.739 433 HB2 LYS2066 1HB LYS2066 4.551 -19.445 0.753 434 HB3 LYS2066 2HB LYS2066 3.701 -18.361 -0.362 435 HG2 LYS2066 1HG LYS2066 6.056 -20.098 -1.189 436 HG3 LYS2066 2HG LYS2066 4.378 -20.654 -1.302 437 HD2 LYS2066 1HD LYS2066 4.092 -18.313 -2.580 438 HD3 LYS2066 2HD LYS2066 5.821 -18.542 -2.893 439 HE2 LYS2066 1HE LYS2066 5.110 -19.779 -4.667 440 HE3 LYS2066 2HE LYS2066 4.811 -21.050 -3.474 441 HZ1 LYS2066 2HZ LYS2066 2.921 -19.546 -4.991 442 HZ3 LYS2066 1HZ LYS2066 2.580 -19.436 -3.402 443 H GLU2067 H GLU2067 4.712 -16.490 2.066 444 HA GLU2067 HA GLU2067 3.631 -14.403 0.466 445 HB2 GLU2067 1HB GLU2067 3.367 -15.404 3.188 446 HB3 GLU2067 2HB GLU2067 3.485 -13.636 3.182 447 HG2 GLU2067 1HG GLU2067 1.657 -15.054 1.234 448 HG3 GLU2067 2HG GLU2067 1.129 -14.799 2.904 449 HE2 GLU2067 HE GLU2067 -0.066 -11.856 1.449 450 H THR2068 H THR2068 6.639 -15.050 2.101 451 HA THR2068 HA THR2068 7.408 -12.445 2.781 452 HB THR2068 HB THR2068 8.749 -15.103 2.227 453 HG1 THR2068 1HG THR2068 7.652 -14.213 4.274 454 HG21 THR2068 3HG2 THR2068 10.291 -12.609 3.068 455 HG22 THR2068 1HG2 THR2068 10.941 -14.205 2.619 456 HG23 THR2068 2HG2 THR2068 10.252 -13.141 1.368 457 H SER2069 H SER2069 7.154 -14.078 -0.329 458 HA SER2069 HA SER2069 8.945 -12.340 -1.636 459 HB2 SER2069 1HB SER2069 7.388 -14.663 -2.260 460 HB3 SER2069 2HB SER2069 7.016 -13.427 -3.474 461 HG SER2069 HG SER2069 8.809 -14.492 -4.265 462 H PHE2070 H PHE2070 5.475 -12.342 -0.832 463 HA PHE2070 HA PHE2070 4.715 -10.346 -2.667 464 HB2 PHE2070 1HB PHE2070 3.162 -11.922 -1.534 465 HB3 PHE2070 2HB PHE2070 3.657 -11.319 0.052 466 HD1 PHE2070 2HD PHE2070 3.002 -9.002 0.723 467 HD2 PHE2070 1HD PHE2070 1.473 -10.845 -2.779 468 HE1 PHE2070 2HE PHE2070 1.134 -7.326 0.657 469 HE2 PHE2070 1HE PHE2070 -0.395 -9.171 -2.846 470 HZ PHE2070 HZ PHE2070 -0.543 -7.431 -1.127 471 H ASN2071 H ASN2071 5.639 -10.282 0.839 472 HA ASN2071 HA ASN2071 5.248 -7.516 1.043 473 HB2 ASN2071 1HB ASN2071 5.411 -9.371 2.896 474 HB3 ASN2071 2HB ASN2071 7.160 -9.113 2.797 475 HD21 ASN2071 1HD2 ASN2071 4.043 -7.726 3.560 476 HD22 ASN2071 2HD2 ASN2071 4.596 -6.368 4.483 477 H GLN2072 H GLN2072 7.882 -9.663 0.013 478 HA GLN2072 HA GLN2072 9.897 -7.676 0.293 479 HB2 GLN2072 1HB GLN2072 9.746 -10.475 -0.806 480 HB3 GLN2072 2HB GLN2072 11.153 -9.473 -1.205 481 HG2 GLN2072 1HG GLN2072 11.513 -9.085 1.242 482 HG3 GLN2072 2HG GLN2072 10.149 -10.154 1.600 483 HE21 GLN2072 1HE2 GLN2072 12.683 -10.592 2.587 484 HE22 GLN2072 2HE2 GLN2072 13.369 -12.020 1.888 485 H ALA2073 H ALA2073 8.171 -9.272 -2.477 486 HA ALA2073 HA ALA2073 9.333 -8.067 -4.580 487 HB1 ALA2073 3HB ALA2073 7.149 -8.312 -5.712 488 HB2 ALA2073 1HB ALA2073 7.515 -9.729 -4.700 489 HB3 ALA2073 2HB ALA2073 6.352 -8.506 -4.133 490 H TYR2074 H TYR2074 6.714 -6.660 -2.503 491 HA TYR2074 HA TYR2074 7.103 -4.102 -3.849 492 HB2 TYR2074 1HB TYR2074 5.223 -5.020 -1.596 493 HB3 TYR2074 2HB TYR2074 5.006 -3.580 -2.595 494 HD1 TYR2074 2HD TYR2074 5.466 -4.639 -5.312 495 HD2 TYR2074 1HD TYR2074 3.373 -6.370 -2.004 496 HE1 TYR2074 2HE TYR2074 4.035 -5.997 -6.918 497 HE2 TYR2074 1HE TYR2074 1.951 -7.722 -3.621 498 HH TYR2074 HH TYR2074 2.179 -8.598 -5.919 499 H GLY2075 H GLY2075 8.132 -5.845 -1.032 500 HA2 GLY2075 2HA GLY2075 8.273 -4.114 1.021 501 HA3 GLY2075 3HA GLY2075 9.578 -5.202 0.588 502 H ARG2076 H ARG2076 10.118 -3.933 -2.055 503 HA ARG2076 HA ARG2076 11.807 -1.893 -1.047 504 HB2 ARG2076 1HB ARG2076 12.642 -1.777 -3.385 505 HB3 ARG2076 2HB ARG2076 12.572 -3.457 -2.821 506 HG2 ARG2076 1HG ARG2076 11.586 -3.634 -4.923 507 HG3 ARG2076 2HG ARG2076 10.152 -3.399 -3.910 508 HD2 ARG2076 1HD ARG2076 9.632 -1.596 -5.162 509 HD3 ARG2076 2HD ARG2076 11.096 -0.791 -4.573 510 HE ARG2076 HE ARG2076 10.752 -2.203 -7.154 511 HH11 ARG2076 2HH2 ARG2076 12.982 -0.622 -4.900 512 HH12 ARG2076 1HH2 ARG2076 14.216 -0.384 -6.094 513 H ASP2077 H ASP2077 8.886 -2.144 -3.145 514 HA ASP2077 HA ASP2077 8.865 0.469 -4.016 515 HB2 ASP2077 1HB ASP2077 6.768 -1.662 -3.592 516 HB3 ASP2077 2HB ASP2077 6.252 -0.035 -4.060 517 HD2 ASP2077 HD ASP2077 7.805 -0.359 -7.237 518 H LEU2078 H LEU2078 6.979 -1.147 -1.338 519 HA LEU2078 HA LEU2078 5.762 1.099 -0.331 520 HB2 LEU2078 1HB LEU2078 6.621 -1.506 0.867 521 HB3 LEU2078 2HB LEU2078 5.828 -0.268 1.855 522 HG LEU2078 HG LEU2078 3.891 -0.341 0.301 523 HD11 LEU2078 1HD1 LEU2078 3.804 -2.476 -1.160 524 HD12 LEU2078 2HD1 LEU2078 4.693 -1.054 -1.759 525 HD13 LEU2078 3HD1 LEU2078 5.580 -2.428 -1.056 526 HD21 LEU2078 3HD2 LEU2078 2.889 -2.072 1.402 527 HD22 LEU2078 1HD2 LEU2078 4.278 -3.165 1.193 528 HD23 LEU2078 2HD2 LEU2078 4.338 -1.872 2.417 529 H MET2079 H MET2079 9.029 -0.259 0.380 530 HA MET2079 HA MET2079 9.697 1.348 2.457 531 HB2 MET2079 1HB MET2079 10.988 -0.359 0.520 532 HB3 MET2079 2HB MET2079 11.978 1.102 0.679 533 HG2 MET2079 1HG MET2079 12.651 0.535 2.783 534 HG3 MET2079 2HG MET2079 11.027 0.041 3.274 535 HE1 MET2079 3HE MET2079 11.264 -1.610 4.465 536 HE2 MET2079 1HE MET2079 10.839 -3.130 3.641 537 HE3 MET2079 2HE MET2079 12.452 -2.932 4.370 538 H GLU2080 H GLU2080 10.090 2.024 -1.087 539 HA GLU2080 HA GLU2080 11.208 4.559 -0.620 540 HB2 GLU2080 1HB GLU2080 11.620 3.288 -2.679 541 HB3 GLU2080 2HB GLU2080 9.905 3.388 -3.118 542 HG2 GLU2080 1HG GLU2080 10.033 5.695 -3.567 543 HG3 GLU2080 2HG GLU2080 11.489 5.916 -2.586 544 HE2 GLU2080 HE GLU2080 13.524 5.476 -5.280 545 H ALA2081 H ALA2081 7.908 3.384 -1.550 546 HA ALA2081 HA ALA2081 6.698 5.831 -1.891 547 HB1 ALA2081 3HB ALA2081 4.777 4.588 -2.006 548 HB2 ALA2081 1HB ALA2081 5.939 3.241 -2.067 549 HB3 ALA2081 2HB ALA2081 5.154 3.669 -0.529 550 H GLN2082 H GLN2082 7.249 3.912 1.123 551 HA GLN2082 HA GLN2082 5.833 5.636 2.771 552 HB2 GLN2082 1HB GLN2082 6.406 3.376 3.455 553 HB3 GLN2082 2HB GLN2082 8.140 3.739 3.379 554 HG2 GLN2082 1HG GLN2082 7.787 4.032 5.641 555 HG3 GLN2082 2HG GLN2082 7.421 5.676 5.098 556 HE21 GLN2082 1HE2 GLN2082 6.450 4.869 7.456 557 HE22 GLN2082 2HE2 GLN2082 4.740 4.598 7.401 558 H GLU2083 H GLU2083 9.212 5.625 1.584 559 HA GLU2083 HA GLU2083 10.183 7.508 3.373 560 HB2 GLU2083 1HB GLU2083 12.073 6.956 2.310 561 HB3 GLU2083 2HB GLU2083 11.134 6.043 1.116 562 HG2 GLU2083 1HG GLU2083 10.862 8.069 -0.249 563 HG3 GLU2083 2HG GLU2083 11.702 9.042 0.968 564 HE2 GLU2083 HE GLU2083 13.746 6.707 -1.542 565 H TRP2084 H TRP2084 8.359 7.776 0.314 566 HA TRP2084 HA TRP2084 8.808 10.590 0.061 567 HB2 TRP2084 1HB TRP2084 6.934 8.656 -1.295 568 HB3 TRP2084 2HB TRP2084 7.001 10.378 -1.678 569 HD1 TRP2084 HD TRP2084 8.749 7.118 -2.447 570 HE1 TRP2084 1HE TRP2084 10.779 7.432 -4.104 571 HE3 TRP2084 3HE TRP2084 8.861 12.194 -2.179 572 HZ2 TRP2084 2HZ TRP2084 12.170 9.717 -5.096 573 HZ3 TRP2084 3HZ TRP2084 10.587 13.390 -3.523 574 HH2 TRP2084 HH TRP2084 12.205 12.234 -4.945 575 H CYS2085 H CYS2085 6.631 8.407 1.779 576 HA CYS2085 HA CYS2085 4.521 10.253 2.105 577 HB2 CYS2085 1HB CYS2085 3.888 8.043 2.384 578 HB3 CYS2085 2HB CYS2085 5.279 7.647 3.409 579 HG CYS2085 HG CYS2085 3.098 9.973 4.226 580 H ARG2086 H ARG2086 7.125 9.014 4.338 581 HA ARG2086 HA ARG2086 6.560 10.888 6.307 582 HB2 ARG2086 1HB ARG2086 8.597 10.112 7.366 583 HB3 ARG2086 2HB ARG2086 7.851 8.707 6.584 584 HG2 ARG2086 1HG ARG2086 9.453 9.728 4.570 585 HG3 ARG2086 2HG ARG2086 10.425 10.065 6.014 586 HD2 ARG2086 1HD ARG2086 9.305 7.368 5.137 587 HD3 ARG2086 2HD ARG2086 11.009 7.846 5.141 588 HE ARG2086 HE ARG2086 9.360 7.099 7.477 589 HH11 ARG2086 2HH2 ARG2086 12.400 8.519 6.338 590 HH12 ARG2086 1HH2 ARG2086 13.224 8.270 7.841 591 H LYS2087 H LYS2087 8.501 10.963 3.348 592 HA LYS2087 HA LYS2087 10.138 13.152 4.090 593 HB2 LYS2087 1HB LYS2087 10.940 11.706 2.417 594 HB3 LYS2087 2HB LYS2087 9.453 11.830 1.460 595 HG2 LYS2087 1HG LYS2087 10.780 14.421 2.021 596 HG3 LYS2087 2HG LYS2087 11.751 13.313 1.036 597 HD2 LYS2087 1HD LYS2087 10.507 13.856 -0.759 598 HD3 LYS2087 2HD LYS2087 9.063 13.214 0.041 599 HE2 LYS2087 1HE LYS2087 8.267 15.328 0.044 600 HE3 LYS2087 2HE LYS2087 9.486 15.715 1.267 601 HZ1 LYS2087 2HZ LYS2087 10.930 15.908 -0.964 602 HZ3 LYS2087 1HZ LYS2087 10.120 17.178 -0.346 603 H TYR2088 H TYR2088 6.935 12.761 2.531 604 HA TYR2088 HA TYR2088 6.738 15.536 1.868 605 HB2 TYR2088 1HB TYR2088 5.477 13.975 0.547 606 HB3 TYR2088 2HB TYR2088 5.020 13.013 1.957 607 HD1 TYR2088 1HD TYR2088 4.365 16.204 0.157 608 HD2 TYR2088 2HD TYR2088 2.973 13.421 3.095 609 HE1 TYR2088 1HE TYR2088 2.118 17.389 0.225 610 HE2 TYR2088 2HE TYR2088 0.731 14.618 3.154 611 HH TYR2088 HH TYR2088 0.113 17.398 1.027 612 H MET2089 H MET2089 5.563 13.376 4.507 613 HA MET2089 HA MET2089 3.852 15.210 5.659 614 HB2 MET2089 1HB MET2089 5.477 12.849 6.687 615 HB3 MET2089 2HB MET2089 4.425 13.754 7.787 616 HG2 MET2089 1HG MET2089 2.661 13.340 5.785 617 HG3 MET2089 2HG MET2089 3.711 11.951 5.484 618 HE1 MET2089 3HE MET2089 0.298 11.281 7.423 619 HE2 MET2089 1HE MET2089 0.562 12.961 7.945 620 HE3 MET2089 2HE MET2089 0.794 12.511 6.237 621 H LYS2090 H LYS2090 7.370 14.582 6.183 622 HA LYS2090 HA LYS2090 7.691 16.277 8.363 623 HB2 LYS2090 1HB LYS2090 9.244 14.504 7.164 624 HB3 LYS2090 2HB LYS2090 9.893 15.949 6.368 625 HG2 LYS2090 1HG LYS2090 9.535 15.747 9.380 626 HG3 LYS2090 2HG LYS2090 11.024 15.225 8.573 627 HD2 LYS2090 1HD LYS2090 11.645 17.388 8.039 628 HD3 LYS2090 2HD LYS2090 9.975 17.962 7.909 629 HE2 LYS2090 1HE LYS2090 9.753 18.178 10.263 630 HE3 LYS2090 2HE LYS2090 11.152 17.144 10.589 631 HZ1 LYS2090 2HZ LYS2090 12.600 18.868 9.898 632 HZ3 LYS2090 1HZ LYS2090 11.489 19.643 10.802 633 H SER2091 H SER2091 8.290 16.914 4.833 634 HA SER2091 HA SER2091 7.087 19.376 4.874 635 HB2 SER2091 1HB SER2091 9.489 19.532 6.258 636 HB3 SER2091 2HB SER2091 9.943 20.087 4.637 637 HG SER2091 HG SER2091 8.957 21.622 6.428 638 H GLY2092 H GLY2092 6.419 18.240 2.895 639 HA2 GLY2092 2HA GLY2092 8.419 18.524 0.736 640 HA3 GLY2092 3HA GLY2092 7.427 17.088 0.888 641 H ASN2093 H ASN2093 6.134 17.244 -0.947 642 HA ASN2093 HA ASN2093 4.197 19.367 -0.845 643 HB2 ASN2093 1HB ASN2093 6.388 19.394 -2.699 644 HB3 ASN2093 2HB ASN2093 4.940 18.984 -3.632 645 HD21 ASN2093 1HD2 ASN2093 5.235 21.016 -4.672 646 HD22 ASN2093 2HD2 ASN2093 4.680 22.488 -3.946 647 H VAL2094 H VAL2094 2.308 18.825 -2.369 648 HA VAL2094 HA VAL2094 1.403 16.289 -2.074 649 HB VAL2094 HB VAL2094 0.434 18.590 -3.062 650 HG11 VAL2094 1HG1 VAL2094 0.792 16.782 -5.475 651 HG12 VAL2094 2HG1 VAL2094 -0.283 18.198 -5.417 652 HG13 VAL2094 3HG1 VAL2094 1.475 18.408 -5.239 653 HG21 VAL2094 3HG2 VAL2094 -1.491 17.524 -2.675 654 HG22 VAL2094 1HG2 VAL2094 -1.224 16.419 -4.046 655 HG23 VAL2094 2HG2 VAL2094 -0.545 16.032 -2.446 656 H LYS2095 H LYS2095 3.537 17.599 -4.635 657 HA LYS2095 HA LYS2095 3.391 15.585 -6.472 658 HB2 LYS2095 1HB LYS2095 4.604 17.661 -6.800 659 HB3 LYS2095 2HB LYS2095 5.822 17.178 -5.606 660 HG2 LYS2095 1HG LYS2095 5.601 15.020 -7.440 661 HG3 LYS2095 2HG LYS2095 5.629 16.491 -8.429 662 HD2 LYS2095 1HD LYS2095 7.770 17.055 -7.761 663 HD3 LYS2095 2HD LYS2095 7.608 16.286 -6.173 664 HE2 LYS2095 1HE LYS2095 8.904 14.651 -7.081 665 HE3 LYS2095 2HE LYS2095 7.412 14.109 -7.868 666 HZ1 LYS2095 2HZ LYS2095 9.499 14.606 -9.304 667 HZ3 LYS2095 1HZ LYS2095 9.081 16.172 -9.154 668 H ASP2096 H ASP2096 5.447 15.742 -3.493 669 HA ASP2096 HA ASP2096 6.654 13.290 -3.933 670 HB2 ASP2096 1HB ASP2096 6.011 14.629 -1.269 671 HB3 ASP2096 2HB ASP2096 7.267 13.409 -1.537 672 HD2 ASP2096 HD ASP2096 8.112 17.184 -1.941 673 H LEU2097 H LEU2097 3.643 14.337 -2.244 674 HA LEU2097 HA LEU2097 3.069 11.891 -1.010 675 HB2 LEU2097 1HB LEU2097 2.003 13.745 -0.160 676 HB3 LEU2097 2HB LEU2097 1.494 14.331 -1.753 677 HG LEU2097 HG LEU2097 -0.307 12.862 -1.854 678 HD11 LEU2097 1HD1 LEU2097 -0.324 11.080 0.239 679 HD12 LEU2097 2HD1 LEU2097 0.161 10.717 -1.436 680 HD13 LEU2097 3HD1 LEU2097 1.397 11.123 -0.220 681 HD21 LEU2097 3HD2 LEU2097 0.095 14.302 0.625 682 HD22 LEU2097 1HD2 LEU2097 -1.376 14.107 -0.359 683 HD23 LEU2097 2HD2 LEU2097 -0.958 12.886 0.868 684 H THR2098 H THR2098 2.127 13.298 -4.207 685 HA THR2098 HA THR2098 0.463 11.190 -4.982 686 HB THR2098 HB THR2098 2.118 13.297 -6.449 687 HG1 THR2098 1HG THR2098 0.029 14.248 -6.434 688 HG21 THR2098 3HG2 THR2098 1.557 11.158 -7.871 689 HG22 THR2098 1HG2 THR2098 -0.139 11.664 -7.680 690 HG23 THR2098 2HG2 THR2098 1.022 12.736 -8.499 691 H GLN2099 H GLN2099 4.019 11.617 -5.208 692 HA GLN2099 HA GLN2099 4.456 9.469 -6.886 693 HB2 GLN2099 1HB GLN2099 5.992 11.361 -5.448 694 HB3 GLN2099 2HB GLN2099 6.615 9.774 -4.960 695 HG2 GLN2099 1HG GLN2099 6.504 9.292 -7.570 696 HG3 GLN2099 2HG GLN2099 6.544 11.056 -7.698 697 HE21 GLN2099 1HE2 GLN2099 8.504 9.162 -8.587 698 HE22 GLN2099 2HE2 GLN2099 9.990 9.484 -7.758 699 H ALA2100 H ALA2100 4.451 9.681 -3.264 700 HA ALA2100 HA ALA2100 5.142 7.068 -2.733 701 HB1 ALA2100 3HB ALA2100 4.889 9.046 -1.145 702 HB2 ALA2100 1HB ALA2100 3.138 8.725 -1.162 703 HB3 ALA2100 2HB ALA2100 4.263 7.492 -0.544 704 H TRP2101 H TRP2101 1.862 8.522 -3.269 705 HA TRP2101 HA TRP2101 0.442 6.152 -2.896 706 HB2 TRP2101 1HB TRP2101 -0.075 8.847 -3.631 707 HB3 TRP2101 2HB TRP2101 -0.864 7.807 -4.818 708 HD1 TRP2101 HD TRP2101 -1.800 9.468 -1.793 709 HE1 TRP2101 1HE TRP2101 -3.734 8.320 -0.415 710 HE3 TRP2101 3HE TRP2101 -1.469 4.948 -4.097 711 HZ2 TRP2101 2HZ TRP2101 -4.885 5.709 -0.443 712 HZ3 TRP2101 3HZ TRP2101 -3.036 3.154 -3.362 713 HH2 TRP2101 HH TRP2101 -4.701 3.477 -1.602 714 H ASP2102 H ASP2102 2.165 7.593 -5.695 715 HA ASP2102 HA ASP2102 1.135 6.012 -7.669 716 HB2 ASP2102 1HB ASP2102 2.986 7.975 -7.554 717 HB3 ASP2102 2HB ASP2102 4.085 6.596 -7.701 718 HD2 ASP2102 HD ASP2102 3.208 7.972 -10.985 719 H LEU2103 H LEU2103 4.075 5.549 -5.568 720 HA LEU2103 HA LEU2103 4.911 3.139 -6.622 721 HB2 LEU2103 1HB LEU2103 5.192 4.484 -3.968 722 HB3 LEU2103 2HB LEU2103 5.841 2.853 -4.216 723 HG LEU2103 HG LEU2103 7.056 3.908 -6.252 724 HD11 LEU2103 1HD1 LEU2103 7.600 6.310 -5.949 725 HD12 LEU2103 2HD1 LEU2103 5.890 6.016 -6.347 726 HD13 LEU2103 3HD1 LEU2103 6.363 6.400 -4.674 727 HD21 LEU2103 3HD2 LEU2103 8.972 4.207 -4.974 728 HD22 LEU2103 1HD2 LEU2103 8.073 4.880 -3.593 729 HD23 LEU2103 2HD2 LEU2103 7.973 3.141 -3.958 730 H TYR2104 H TYR2104 2.718 3.750 -3.793 731 HA TYR2104 HA TYR2104 2.198 1.112 -3.191 732 HB2 TYR2104 1HB TYR2104 0.574 3.718 -3.151 733 HB3 TYR2104 2HB TYR2104 -0.030 2.249 -2.380 734 HD1 TYR2104 2HD TYR2104 2.653 1.272 -1.281 735 HD2 TYR2104 1HD TYR2104 0.773 5.116 -1.247 736 HE1 TYR2104 2HE TYR2104 3.925 1.884 0.833 737 HE2 TYR2104 1HE TYR2104 2.053 5.714 0.866 738 HH TYR2104 HH TYR2104 3.791 5.138 2.140 739 H TYR2105 H TYR2105 0.278 3.343 -5.332 740 HA TYR2105 HA TYR2105 -1.693 1.615 -6.069 741 HB2 TYR2105 1HB TYR2105 -0.879 4.138 -6.674 742 HB3 TYR2105 2HB TYR2105 -0.236 3.343 -8.114 743 HD1 TYR2105 1HD TYR2105 -2.602 1.250 -8.166 744 HD2 TYR2105 2HD TYR2105 -2.417 5.520 -7.948 745 HE1 TYR2105 1HE TYR2105 -4.895 1.413 -9.256 746 HE2 TYR2105 2HE TYR2105 -4.709 5.667 -9.039 747 HH TYR2105 HH TYR2105 -6.135 3.066 -10.596 748 H HIS2106 H HIS2106 1.679 1.801 -7.308 749 HA HIS2106 HA HIS2106 1.301 0.114 -9.487 750 HB2 HIS2106 1HB HIS2106 3.514 1.319 -8.020 751 HB3 HIS2106 2HB HIS2106 3.924 -0.278 -8.655 752 HD1 HIS2106 1HD HIS2106 3.290 3.255 -9.668 753 HD2 HIS2106 2HD HIS2106 3.826 -0.468 -11.527 754 HE1 HIS2106 1HE HIS2106 3.729 3.743 -12.134 755 HE2 HIS2106 2HE HIS2106 4.049 1.417 -13.237 756 H VAL2107 H VAL2107 2.514 -0.591 -6.134 757 HA VAL2107 HA VAL2107 2.655 -3.368 -6.572 758 HB VAL2107 HB VAL2107 3.375 -3.473 -4.421 759 HG11 VAL2107 1HG1 VAL2107 4.454 -1.502 -5.763 760 HG12 VAL2107 2HG1 VAL2107 3.638 -0.478 -4.556 761 HG13 VAL2107 3HG1 VAL2107 4.821 -1.700 -4.032 762 HG21 VAL2107 3HG2 VAL2107 1.138 -2.860 -3.471 763 HG22 VAL2107 1HG2 VAL2107 2.520 -2.244 -2.535 764 HG23 VAL2107 2HG2 VAL2107 1.606 -1.148 -3.598 765 H PHE2108 H PHE2108 0.182 -1.234 -4.996 766 HA PHE2108 HA PHE2108 -1.559 -3.296 -4.317 767 HB2 PHE2108 1HB PHE2108 -1.632 -0.310 -4.846 768 HB3 PHE2108 2HB PHE2108 -3.186 -1.132 -4.682 769 HD1 PHE2108 1HD PHE2108 0.015 -0.442 -2.947 770 HD2 PHE2108 2HD PHE2108 -4.024 -1.682 -2.551 771 HE1 PHE2108 1HE PHE2108 0.209 -0.275 -0.451 772 HE2 PHE2108 2HE PHE2108 -3.831 -1.515 -0.055 773 HZ PHE2108 HZ PHE2108 -1.716 -0.814 0.967 774 H ARG2109 H ARG2109 -0.935 -1.627 -7.385 775 HA ARG2109 HA ARG2109 -3.390 -2.380 -8.539 776 HB2 ARG2109 1HB ARG2109 -2.305 -0.488 -9.501 777 HB3 ARG2109 2HB ARG2109 -0.750 -1.327 -9.633 778 HG2 ARG2109 1HG ARG2109 -1.435 -2.560 -11.506 779 HG3 ARG2109 2HG ARG2109 -3.159 -2.380 -11.134 780 HD2 ARG2109 1HD ARG2109 -2.993 0.048 -11.691 781 HD3 ARG2109 2HD ARG2109 -1.286 -0.166 -12.107 782 HE ARG2109 HE ARG2109 -3.191 -1.929 -13.520 783 HH11 ARG2109 2HH2 ARG2109 -1.308 1.071 -13.617 784 HH12 ARG2109 1HH2 ARG2109 -1.382 1.208 -15.342 785 H ARG2110 H ARG2110 -0.133 -3.794 -8.230 786 HA ARG2110 HA ARG2110 -0.452 -5.680 -10.268 787 HB2 ARG2110 1HB ARG2110 1.741 -4.946 -9.270 788 HB3 ARG2110 2HB ARG2110 1.339 -5.836 -7.791 789 HG2 ARG2110 1HG ARG2110 2.667 -7.361 -8.979 790 HG3 ARG2110 2HG ARG2110 1.028 -7.885 -9.404 791 HD2 ARG2110 1HD ARG2110 1.772 -7.737 -11.550 792 HD3 ARG2110 2HD ARG2110 1.542 -5.994 -11.359 793 HE ARG2110 HE ARG2110 4.127 -6.791 -10.354 794 HH11 ARG2110 2HH2 ARG2110 2.387 -6.241 -13.391 795 HH12 ARG2110 1HH2 ARG2110 3.820 -5.867 -14.289 796 H ILE2111 H ILE2111 -0.740 -5.828 -6.647 797 HA ILE2111 HA ILE2111 -1.292 -8.456 -6.305 798 HB ILE2111 HB ILE2111 -2.751 -7.653 -4.385 799 HG12 ILE2111 1HG1 ILE2111 -1.806 -4.944 -5.346 800 HG13 ILE2111 2HG1 ILE2111 -3.475 -5.536 -5.432 801 HG21 ILE2111 1HG2 ILE2111 -0.893 -7.269 -3.078 802 HG22 ILE2111 2HG2 ILE2111 -0.168 -8.066 -4.497 803 HG23 ILE2111 3HG2 ILE2111 -0.076 -6.297 -4.326 804 HD11 ILE2111 3HD1 ILE2111 -3.455 -4.278 -3.436 805 HD12 ILE2111 1HD1 ILE2111 -3.191 -5.936 -2.848 806 HD13 ILE2111 2HD1 ILE2111 -1.816 -4.816 -2.999 807 H SER2112 H SER2112 -3.345 -5.956 -7.778 808 HA SER2112 HA SER2112 -5.635 -7.656 -7.719 809 HB2 SER2112 1HB SER2112 -5.221 -5.112 -9.327 810 HB3 SER2112 2HB SER2112 -6.769 -5.838 -8.863 811 HG SER2112 HG SER2112 -6.454 -4.215 -7.378 812 H LYS2113 H LYS2113 -3.510 -6.210 -10.300 813 HA LYS2113 HA LYS2113 -4.523 -7.338 -12.505 814 HB2 LYS2113 1HB LYS2113 -1.939 -6.350 -11.643 815 HB3 LYS2113 2HB LYS2113 -1.765 -7.639 -12.846 816 HG2 LYS2113 1HG LYS2113 -3.893 -5.652 -13.427 817 HG3 LYS2113 2HG LYS2113 -2.250 -4.990 -13.438 818 HD2 LYS2113 1HD LYS2113 -2.294 -7.542 -14.812 819 HD3 LYS2113 2HD LYS2113 -3.552 -6.490 -15.487 820 HE2 LYS2113 1HE LYS2113 -1.691 -4.668 -15.542 821 HE3 LYS2113 2HE LYS2113 -0.555 -6.008 -15.319 822 HZ1 LYS2113 2HZ LYS2113 -1.551 -7.027 -17.331 823 HZ3 LYS2113 1HZ LYS2113 -0.886 -5.579 -17.666 824 H GLN2114 H GLN2114 -4.717 -9.330 -13.469 825 HA GLN2114 HA GLN2114 -4.967 -11.503 -13.468 826 HB2 GLN2114 1HB GLN2114 -2.360 -10.907 -13.924 827 HB3 GLN2114 2HB GLN2114 -2.167 -12.016 -12.555 828 HG2 GLN2114 1HG GLN2114 -2.207 -13.586 -14.221 829 HG3 GLN2114 2HG GLN2114 -3.961 -13.429 -14.035 830 HE21 GLN2114 1HE2 GLN2114 -4.901 -13.433 -15.920 831 HE22 GLN2114 2HE2 GLN2114 -4.395 -12.603 -17.353 Start of MODEL 25 1 H MET2014 H MET2014 -12.261 -6.448 -16.726 2 HA MET2014 HA MET2014 -13.119 -6.186 -13.952 3 HB2 MET2014 1HB MET2014 -13.073 -8.485 -15.955 4 HB3 MET2014 2HB MET2014 -13.290 -8.794 -14.222 5 HG2 MET2014 1HG MET2014 -15.349 -7.554 -14.173 6 HG3 MET2014 2HG MET2014 -15.048 -6.834 -15.755 7 HE1 MET2014 3HE MET2014 -17.393 -8.848 -17.654 8 HE2 MET2014 1HE MET2014 -16.923 -7.283 -16.947 9 HE3 MET2014 2HE MET2014 -15.834 -8.106 -18.090 10 H GLU2015 H GLU2015 -10.890 -5.296 -13.498 11 HA GLU2015 HA GLU2015 -8.973 -7.494 -13.371 12 HB2 GLU2015 1HB GLU2015 -7.226 -5.648 -13.292 13 HB3 GLU2015 2HB GLU2015 -8.080 -5.811 -14.837 14 HG2 GLU2015 1HG GLU2015 -8.905 -3.714 -14.677 15 HG3 GLU2015 2HG GLU2015 -9.500 -3.994 -13.033 16 HE2 GLU2015 HE GLU2015 -6.562 -1.592 -13.433 17 H LEU2016 H LEU2016 -11.067 -5.457 -11.614 18 HA LEU2016 HA LEU2016 -9.385 -5.341 -9.258 19 HB2 LEU2016 1HB LEU2016 -11.705 -3.972 -10.295 20 HB3 LEU2016 2HB LEU2016 -11.963 -4.489 -8.619 21 HG LEU2016 HG LEU2016 -11.115 -2.321 -8.449 22 HD11 LEU2016 1HD1 LEU2016 -8.411 -3.374 -8.169 23 HD12 LEU2016 2HD1 LEU2016 -9.529 -2.738 -6.941 24 HD13 LEU2016 3HD1 LEU2016 -9.638 -4.441 -7.446 25 HD21 LEU2016 3HD2 LEU2016 -9.951 -1.266 -10.023 26 HD22 LEU2016 1HD2 LEU2016 -8.642 -2.473 -9.973 27 HD23 LEU2016 2HD2 LEU2016 -10.074 -2.755 -10.992 28 H ILE2017 H ILE2017 -9.458 -7.930 -9.793 29 HA ILE2017 HA ILE2017 -11.559 -8.955 -8.010 30 HB ILE2017 HB ILE2017 -10.390 -10.162 -10.513 31 HG12 ILE2017 1HG1 ILE2017 -12.161 -8.689 -11.030 32 HG13 ILE2017 2HG1 ILE2017 -12.835 -10.326 -11.111 33 HG21 ILE2017 1HG2 ILE2017 -12.094 -11.492 -8.391 34 HG22 ILE2017 2HG2 ILE2017 -11.756 -12.164 -10.004 35 HG23 ILE2017 3HG2 ILE2017 -10.425 -11.910 -8.848 36 HD11 ILE2017 3HD1 ILE2017 -13.405 -8.103 -9.200 37 HD12 ILE2017 1HD1 ILE2017 -14.482 -9.382 -9.811 38 HD13 ILE2017 2HD1 ILE2017 -13.334 -9.735 -8.494 39 H ARG2018 H ARG2018 -10.912 -10.318 -6.347 40 HA ARG2018 HA ARG2018 -8.352 -11.467 -6.356 41 HB2 ARG2018 1HB ARG2018 -7.464 -10.237 -4.356 42 HB3 ARG2018 2HB ARG2018 -7.616 -9.191 -5.780 43 HG2 ARG2018 1HG ARG2018 -9.961 -9.369 -3.919 44 HG3 ARG2018 2HG ARG2018 -8.543 -8.472 -3.348 45 HD2 ARG2018 1HD ARG2018 -8.875 -6.767 -4.841 46 HD3 ARG2018 2HD ARG2018 -9.393 -7.855 -6.138 47 HE ARG2018 HE ARG2018 -11.514 -8.006 -4.439 48 HH11 ARG2018 2HH2 ARG2018 -9.733 -5.192 -5.650 49 HH12 ARG2018 1HH2 ARG2018 -11.097 -4.132 -5.556 50 H VAL2019 H VAL2019 -7.913 -12.244 -3.834 51 HA VAL2019 HA VAL2019 -10.244 -13.751 -3.188 52 HB VAL2019 HB VAL2019 -7.514 -13.475 -1.923 53 HG11 VAL2019 1HG1 VAL2019 -9.458 -15.700 -1.308 54 HG12 VAL2019 2HG1 VAL2019 -8.001 -15.198 -0.417 55 HG13 VAL2019 3HG1 VAL2019 -9.464 -14.185 -0.372 56 HG21 VAL2019 3HG2 VAL2019 -7.032 -15.605 -2.957 57 HG22 VAL2019 1HG2 VAL2019 -8.701 -15.740 -3.558 58 HG23 VAL2019 2HG2 VAL2019 -7.621 -14.481 -4.205 59 HA PRO2020 HA PRO2020 -11.897 -11.018 -0.270 60 HB2 PRO2020 1HB PRO2020 -13.588 -12.709 1.050 61 HB3 PRO2020 2HB PRO2020 -13.991 -11.949 -0.488 62 HG2 PRO2020 1HG PRO2020 -13.149 -14.714 0.099 63 HG3 PRO2020 2HG PRO2020 -14.008 -14.087 -1.354 64 HD2 PRO2020 1HD PRO2020 -11.257 -14.841 -1.098 65 HD3 PRO2020 2HD PRO2020 -12.016 -14.080 -2.501 66 H ILE2021 H ILE2021 -10.824 -14.117 1.003 67 HA ILE2021 HA ILE2021 -10.041 -12.671 3.433 68 HB ILE2021 HB ILE2021 -9.830 -15.128 4.264 69 HG12 ILE2021 1HG1 ILE2021 -10.342 -15.838 1.768 70 HG13 ILE2021 2HG1 ILE2021 -10.888 -16.810 3.146 71 HG21 ILE2021 1HG2 ILE2021 -12.234 -15.090 4.917 72 HG22 ILE2021 2HG2 ILE2021 -11.377 -13.560 5.216 73 HG23 ILE2021 3HG2 ILE2021 -12.467 -13.709 3.817 74 HD11 ILE2021 3HD1 ILE2021 -12.633 -14.618 1.974 75 HD12 ILE2021 1HD1 ILE2021 -12.607 -16.252 1.268 76 HD13 ILE2021 2HD1 ILE2021 -13.119 -16.020 2.956 77 H LEU2022 H LEU2022 -8.099 -11.755 2.641 78 HA LEU2022 HA LEU2022 -5.857 -13.404 2.881 79 HB2 LEU2022 1HB LEU2022 -7.048 -13.619 0.378 80 HB3 LEU2022 2HB LEU2022 -5.686 -12.511 0.131 81 HG LEU2022 HG LEU2022 -5.028 -14.786 -0.353 82 HD11 LEU2022 1HD1 LEU2022 -3.031 -14.910 0.916 83 HD12 LEU2022 2HD1 LEU2022 -3.436 -13.181 0.781 84 HD13 LEU2022 3HD1 LEU2022 -3.765 -14.056 2.295 85 HD21 LEU2022 3HD2 LEU2022 -5.915 -15.441 2.469 86 HD22 LEU2022 1HD2 LEU2022 -6.653 -16.009 0.953 87 HD23 LEU2022 2HD2 LEU2022 -5.011 -16.535 1.396 88 H TRP2023 H TRP2023 -3.806 -12.118 2.392 89 HA TRP2023 HA TRP2023 -3.883 -9.699 3.647 90 HB2 TRP2023 1HB TRP2023 -1.971 -11.106 1.880 91 HB3 TRP2023 2HB TRP2023 -1.707 -9.377 2.106 92 HD1 TRP2023 HD TRP2023 -3.144 -11.044 5.172 93 HE1 TRP2023 1HE TRP2023 -1.347 -11.372 7.076 94 HE3 TRP2023 3HE TRP2023 0.885 -9.909 2.287 95 HZ2 TRP2023 2HZ TRP2023 1.495 -11.127 7.160 96 HZ3 TRP2023 3HZ TRP2023 3.136 -9.976 3.359 97 HH2 TRP2023 HH TRP2023 3.477 -10.558 5.708 98 H HIS2024 H HIS2024 -4.010 -10.429 0.096 99 HA HIS2024 HA HIS2024 -3.987 -7.906 -0.886 100 HB2 HIS2024 1HB HIS2024 -5.899 -9.955 -1.973 101 HB3 HIS2024 2HB HIS2024 -4.905 -8.784 -2.848 102 HD1 HIS2024 1HD HIS2024 -5.087 -12.170 -2.802 103 HD2 HIS2024 2HD HIS2024 -1.941 -9.610 -1.735 104 HE1 HIS2024 1HE HIS2024 -2.949 -13.550 -2.982 105 HE2 HIS2024 2HE HIS2024 -1.040 -11.929 -2.314 106 H GLU2025 H GLU2025 -6.402 -9.401 1.150 107 HA GLU2025 HA GLU2025 -8.551 -7.787 0.343 108 HB2 GLU2025 1HB GLU2025 -8.715 -9.976 1.567 109 HB3 GLU2025 2HB GLU2025 -8.137 -9.160 3.033 110 HG2 GLU2025 1HG GLU2025 -10.530 -9.202 3.166 111 HG3 GLU2025 2HG GLU2025 -10.099 -7.537 2.748 112 HE2 GLU2025 HE GLU2025 -12.771 -8.668 0.547 113 H MET2026 H MET2026 -5.928 -7.491 2.765 114 HA MET2026 HA MET2026 -7.079 -5.237 4.013 115 HB2 MET2026 1HB MET2026 -5.091 -5.256 5.331 116 HB3 MET2026 2HB MET2026 -5.283 -6.960 4.880 117 HG2 MET2026 1HG MET2026 -3.056 -6.669 4.312 118 HG3 MET2026 2HG MET2026 -3.785 -6.174 2.782 119 HE1 MET2026 3HE MET2026 -0.705 -4.044 3.347 120 HE2 MET2026 1HE MET2026 -0.827 -4.698 4.997 121 HE3 MET2026 2HE MET2026 -1.127 -5.755 3.598 122 H TRP2027 H TRP2027 -4.885 -5.796 1.264 123 HA TRP2027 HA TRP2027 -3.875 -3.164 1.122 124 HB2 TRP2027 1HB TRP2027 -4.086 -5.392 -0.898 125 HB3 TRP2027 2HB TRP2027 -3.291 -3.851 -1.225 126 HD1 TRP2027 HD TRP2027 -2.922 -6.861 1.232 127 HE1 TRP2027 1HE TRP2027 -0.399 -7.177 1.940 128 HE3 TRP2027 3HE TRP2027 -1.180 -2.747 -1.196 129 HZ2 TRP2027 2HZ TRP2027 1.988 -5.703 1.417 130 HZ3 TRP2027 3HZ TRP2027 1.259 -2.256 -1.045 131 HH2 TRP2027 HH TRP2027 2.825 -3.657 0.204 132 H HIS2028 H HIS2028 -6.563 -4.948 -0.546 133 HA HIS2028 HA HIS2028 -7.398 -2.730 -2.036 134 HB2 HIS2028 1HB HIS2028 -8.522 -4.349 -3.021 135 HB3 HIS2028 2HB HIS2028 -8.103 -5.472 -1.722 136 HD1 HIS2028 1HD HIS2028 -10.708 -2.709 -2.327 137 HD2 HIS2028 2HD HIS2028 -10.314 -6.445 -0.463 138 HE1 HIS2028 1HE HIS2028 -13.014 -3.295 -1.404 139 HE2 HIS2028 2HE HIS2028 -12.718 -5.603 -0.264 140 H GLU2029 H GLU2029 -8.365 -4.069 1.172 141 HA GLU2029 HA GLU2029 -10.474 -2.273 1.525 142 HB2 GLU2029 1HB GLU2029 -8.805 -3.914 3.458 143 HB3 GLU2029 2HB GLU2029 -10.189 -2.943 3.988 144 HG2 GLU2029 1HG GLU2029 -10.476 -4.917 1.713 145 HG3 GLU2029 2HG GLU2029 -10.535 -5.487 3.387 146 HE2 GLU2029 HE GLU2029 -13.441 -3.055 2.036 147 H GLY2030 H GLY2030 -6.975 -2.199 2.365 148 HA2 GLY2030 2HA GLY2030 -6.939 0.020 4.030 149 HA3 GLY2030 3HA GLY2030 -5.630 -0.515 2.994 150 H LEU2031 H LEU2031 -6.185 -0.052 0.465 151 HA LEU2031 HA LEU2031 -6.136 2.720 0.212 152 HB2 LEU2031 1HB LEU2031 -6.819 0.740 -1.945 153 HB3 LEU2031 2HB LEU2031 -6.074 2.336 -2.128 154 HG LEU2031 HG LEU2031 -4.883 -0.275 -1.320 155 HD11 LEU2031 1HD1 LEU2031 -4.053 0.088 -3.363 156 HD12 LEU2031 2HD1 LEU2031 -4.467 1.819 -3.327 157 HD13 LEU2031 3HD1 LEU2031 -2.962 1.249 -2.567 158 HD21 LEU2031 3HD2 LEU2031 -2.878 1.268 -0.493 159 HD22 LEU2031 1HD2 LEU2031 -4.230 2.326 -0.023 160 HD23 LEU2031 2HD2 LEU2031 -4.137 0.664 0.609 161 H GLU2032 H GLU2032 -8.793 0.352 0.183 162 HA GLU2032 HA GLU2032 -10.706 1.834 -1.069 163 HB2 GLU2032 1HB GLU2032 -10.613 -0.408 0.836 164 HB3 GLU2032 2HB GLU2032 -12.114 0.526 0.942 165 HG2 GLU2032 1HG GLU2032 -11.428 0.146 -1.836 166 HG3 GLU2032 2HG GLU2032 -11.368 -1.426 -1.023 167 HE2 GLU2032 HE GLU2032 -14.794 -0.400 -2.136 168 H GLU2033 H GLU2033 -9.932 1.733 2.484 169 HA GLU2033 HA GLU2033 -11.725 3.898 2.949 170 HB2 GLU2033 1HB GLU2033 -11.141 1.925 4.524 171 HB3 GLU2033 2HB GLU2033 -9.679 2.840 4.925 172 HG2 GLU2033 1HG GLU2033 -10.927 4.637 5.845 173 HG3 GLU2033 2HG GLU2033 -12.430 4.125 5.062 174 HE2 GLU2033 HE GLU2033 -13.341 2.358 7.824 175 H ALA2034 H ALA2034 -8.150 3.362 2.908 176 HA ALA2034 HA ALA2034 -7.356 5.859 3.759 177 HB1 ALA2034 3HB ALA2034 -5.724 4.159 3.570 178 HB2 ALA2034 1HB ALA2034 -6.169 3.797 1.885 179 HB3 ALA2034 2HB ALA2034 -5.308 5.306 2.273 180 H SER2035 H SER2035 -8.252 4.704 0.454 181 HA SER2035 HA SER2035 -7.683 7.211 -0.702 182 HB2 SER2035 1HB SER2035 -8.491 6.263 -2.732 183 HB3 SER2035 2HB SER2035 -7.703 4.930 -1.868 184 HG SER2035 HG SER2035 -9.931 4.581 -2.872 185 H ARG2036 H ARG2036 -10.689 5.443 0.287 186 HA ARG2036 HA ARG2036 -12.524 7.192 -0.635 187 HB2 ARG2036 1HB ARG2036 -13.159 5.078 0.383 188 HB3 ARG2036 2HB ARG2036 -12.508 5.568 1.955 189 HG2 ARG2036 1HG ARG2036 -14.216 7.542 1.775 190 HG3 ARG2036 2HG ARG2036 -15.000 6.555 0.531 191 HD2 ARG2036 1HD ARG2036 -15.481 4.808 2.072 192 HD3 ARG2036 2HD ARG2036 -14.318 5.407 3.263 193 HE ARG2036 HE ARG2036 -17.071 6.250 2.948 194 HH11 ARG2036 2HH2 ARG2036 -13.869 7.449 3.871 195 HH12 ARG2036 1HH2 ARG2036 -14.494 8.720 4.866 196 H LEU2037 H LEU2037 -10.843 7.223 2.589 197 HA LEU2037 HA LEU2037 -12.108 9.584 3.465 198 HB2 LEU2037 1HB LEU2037 -10.664 9.479 5.303 199 HB3 LEU2037 2HB LEU2037 -11.084 7.809 4.887 200 HG LEU2037 HG LEU2037 -8.800 7.931 3.557 201 HD11 LEU2037 1HD1 LEU2037 -8.341 10.274 3.917 202 HD12 LEU2037 2HD1 LEU2037 -8.441 10.061 5.682 203 HD13 LEU2037 3HD1 LEU2037 -7.122 9.293 4.764 204 HD21 LEU2037 3HD2 LEU2037 -9.080 6.282 5.198 205 HD22 LEU2037 1HD2 LEU2037 -7.640 7.192 5.716 206 HD23 LEU2037 2HD2 LEU2037 -9.206 7.479 6.510 207 H TYR2038 H TYR2038 -8.995 8.873 1.793 208 HA TYR2038 HA TYR2038 -7.892 11.399 1.926 209 HB2 TYR2038 1HB TYR2038 -6.677 9.454 1.087 210 HB3 TYR2038 2HB TYR2038 -7.940 9.090 -0.095 211 HD1 TYR2038 1HD TYR2038 -5.224 11.502 0.741 212 HD2 TYR2038 2HD TYR2038 -7.826 9.973 -2.292 213 HE1 TYR2038 1HE TYR2038 -3.920 12.777 -1.029 214 HE2 TYR2038 2HE TYR2038 -6.513 11.254 -4.054 215 HH TYR2038 HH TYR2038 -4.260 12.144 -4.322 216 H PHE2039 H PHE2039 -10.113 9.990 -0.573 217 HA PHE2039 HA PHE2039 -10.172 12.438 -2.034 218 HB2 PHE2039 1HB PHE2039 -11.704 9.790 -1.974 219 HB3 PHE2039 2HB PHE2039 -12.166 11.067 -3.104 220 HD1 PHE2039 2HD PHE2039 -10.038 12.033 -4.460 221 HD2 PHE2039 1HD PHE2039 -10.340 8.144 -2.786 222 HE1 PHE2039 2HE PHE2039 -8.313 11.199 -6.083 223 HE2 PHE2039 1HE PHE2039 -8.617 7.312 -4.410 224 HZ PHE2039 HZ PHE2039 -7.624 8.849 -6.039 225 H GLY2040 H GLY2040 -12.423 10.682 0.196 226 HA2 GLY2040 2HA GLY2040 -14.418 12.756 0.019 227 HA3 GLY2040 3HA GLY2040 -14.432 11.332 1.042 228 H GLU2041 H GLU2041 -12.736 11.334 2.906 229 HA GLU2041 HA GLU2041 -13.289 13.360 4.596 230 HB2 GLU2041 1HB GLU2041 -12.042 11.037 4.875 231 HB3 GLU2041 2HB GLU2041 -10.583 12.039 4.781 232 HG2 GLU2041 1HG GLU2041 -11.089 11.923 7.095 233 HG3 GLU2041 2HG GLU2041 -11.697 13.510 6.604 234 HE2 GLU2041 HE GLU2041 -14.132 11.092 8.339 235 H ARG2042 H ARG2042 -10.441 13.051 2.386 236 HA ARG2042 HA ARG2042 -9.357 14.672 1.365 237 HB2 ARG2042 1HB ARG2042 -11.397 16.193 2.025 238 HB3 ARG2042 2HB ARG2042 -10.325 16.809 3.295 239 HG2 ARG2042 1HG ARG2042 -10.153 18.245 1.339 240 HG3 ARG2042 2HG ARG2042 -8.627 17.358 1.516 241 HD2 ARG2042 1HD ARG2042 -8.882 16.661 -0.616 242 HD3 ARG2042 2HD ARG2042 -10.279 15.706 -0.095 243 HE ARG2042 HE ARG2042 -11.363 18.204 -0.417 244 HH11 ARG2042 2HH2 ARG2042 -9.325 16.225 -2.533 245 HH12 ARG2042 1HH2 ARG2042 -9.976 16.892 -3.992 246 H ASN2043 H ASN2043 -8.918 13.249 4.145 247 HA ASN2043 HA ASN2043 -6.694 14.946 4.967 248 HB2 ASN2043 1HB ASN2043 -8.727 13.394 6.459 249 HB3 ASN2043 2HB ASN2043 -7.078 13.073 7.017 250 HD21 ASN2043 1HD2 ASN2043 -7.565 14.070 8.986 251 HD22 ASN2043 2HD2 ASN2043 -7.634 15.791 9.167 252 H VAL2044 H VAL2044 -4.886 14.063 3.909 253 HA VAL2044 HA VAL2044 -4.711 11.403 3.085 254 HB VAL2044 HB VAL2044 -2.690 13.599 3.520 255 HG11 VAL2044 1HG1 VAL2044 -0.971 12.308 2.573 256 HG12 VAL2044 2HG1 VAL2044 -1.743 11.214 3.745 257 HG13 VAL2044 3HG1 VAL2044 -2.097 11.051 2.010 258 HG21 VAL2044 3HG2 VAL2044 -4.601 13.385 1.615 259 HG22 VAL2044 1HG2 VAL2044 -3.026 14.170 1.351 260 HG23 VAL2044 2HG2 VAL2044 -3.280 12.487 0.831 261 H LYS2045 H LYS2045 -4.148 12.982 6.181 262 HA LYS2045 HA LYS2045 -2.320 11.308 7.341 263 HB2 LYS2045 1HB LYS2045 -3.283 11.994 9.460 264 HB3 LYS2045 2HB LYS2045 -3.169 13.372 8.351 265 HG2 LYS2045 1HG LYS2045 -5.394 13.706 8.470 266 HG3 LYS2045 2HG LYS2045 -5.729 12.025 8.019 267 HD2 LYS2045 1HD LYS2045 -6.677 12.113 10.139 268 HD3 LYS2045 2HD LYS2045 -5.048 11.544 10.545 269 HE2 LYS2045 1HE LYS2045 -5.700 14.503 10.468 270 HE3 LYS2045 2HE LYS2045 -6.070 13.543 11.906 271 HZ1 LYS2045 2HZ LYS2045 -3.477 12.895 11.223 272 HZ3 LYS2045 1HZ LYS2045 -3.926 13.858 12.459 273 H GLY2046 H GLY2046 -5.753 10.749 6.565 274 HA2 GLY2046 2HA GLY2046 -6.168 8.480 8.165 275 HA3 GLY2046 3HA GLY2046 -7.042 8.916 6.710 276 H MET2047 H MET2047 -5.260 8.780 4.651 277 HA MET2047 HA MET2047 -5.091 6.116 4.134 278 HB2 MET2047 1HB MET2047 -4.954 7.703 2.334 279 HB3 MET2047 2HB MET2047 -3.582 8.551 3.069 280 HG2 MET2047 1HG MET2047 -3.293 5.637 2.317 281 HG3 MET2047 2HG MET2047 -3.213 6.857 1.041 282 HE1 MET2047 3HE MET2047 -0.454 9.051 1.700 283 HE2 MET2047 1HE MET2047 -2.232 9.092 1.702 284 HE3 MET2047 2HE MET2047 -1.337 9.334 3.221 285 H PHE2048 H PHE2048 -2.607 8.319 5.539 286 HA PHE2048 HA PHE2048 -0.528 6.423 5.483 287 HB2 PHE2048 1HB PHE2048 -1.203 8.933 7.106 288 HB3 PHE2048 2HB PHE2048 0.345 8.104 7.296 289 HD1 PHE2048 1HD PHE2048 0.810 7.398 4.403 290 HD2 PHE2048 2HD PHE2048 -0.503 10.992 6.238 291 HE1 PHE2048 1HE PHE2048 1.737 8.718 2.479 292 HE2 PHE2048 2HE PHE2048 0.424 12.311 4.314 293 HZ PHE2048 HZ PHE2048 1.533 11.159 2.457 294 H GLU2049 H GLU2049 -3.089 7.259 7.856 295 HA GLU2049 HA GLU2049 -1.927 5.657 9.881 296 HB2 GLU2049 1HB GLU2049 -4.702 6.869 9.595 297 HB3 GLU2049 2HB GLU2049 -4.102 6.088 11.069 298 HG2 GLU2049 1HG GLU2049 -2.589 7.808 11.514 299 HG3 GLU2049 2HG GLU2049 -2.472 8.299 9.818 300 HE2 GLU2049 HE GLU2049 -5.932 9.617 10.340 301 H VAL2050 H VAL2050 -3.698 5.009 7.015 302 HA VAL2050 HA VAL2050 -5.038 2.672 8.051 303 HB VAL2050 HB VAL2050 -4.824 4.048 5.386 304 HG11 VAL2050 1HG1 VAL2050 -6.216 1.395 5.887 305 HG12 VAL2050 2HG1 VAL2050 -6.212 2.328 4.370 306 HG13 VAL2050 3HG1 VAL2050 -4.701 1.606 4.975 307 HG21 VAL2050 3HG2 VAL2050 -6.582 5.102 6.308 308 HG22 VAL2050 1HG2 VAL2050 -7.482 3.606 5.964 309 HG23 VAL2050 2HG2 VAL2050 -6.776 3.869 7.578 310 H LEU2051 H LEU2051 -2.220 3.511 5.956 311 HA LEU2051 HA LEU2051 -1.581 0.756 5.534 312 HB2 LEU2051 1HB LEU2051 -0.045 3.288 4.985 313 HB3 LEU2051 2HB LEU2051 0.420 1.670 4.433 314 HG LEU2051 HG LEU2051 -0.936 1.787 2.665 315 HD11 LEU2051 1HD1 LEU2051 -2.871 1.383 4.232 316 HD12 LEU2051 2HD1 LEU2051 -3.135 3.143 4.239 317 HD13 LEU2051 3HD1 LEU2051 -3.267 2.230 2.718 318 HD21 LEU2051 3HD2 LEU2051 -0.874 3.815 1.713 319 HD22 LEU2051 1HD2 LEU2051 -1.802 4.577 3.028 320 HD23 LEU2051 2HD2 LEU2051 -0.052 4.312 3.213 321 H GLU2052 H GLU2052 -0.363 3.461 7.594 322 HA GLU2052 HA GLU2052 1.833 2.507 8.641 323 HB2 GLU2052 1HB GLU2052 -0.332 4.188 9.580 324 HB3 GLU2052 2HB GLU2052 0.356 3.287 10.942 325 HG2 GLU2052 1HG GLU2052 2.392 4.368 9.102 326 HG3 GLU2052 2HG GLU2052 1.389 5.632 9.832 327 HE2 GLU2052 HE GLU2052 3.714 5.391 12.387 328 HA PRO2053 HA PRO2053 -0.449 -0.546 11.459 329 HB2 PRO2053 1HB PRO2053 -3.137 -0.930 11.173 330 HB3 PRO2053 2HB PRO2053 -2.442 0.163 12.367 331 HG2 PRO2053 1HG PRO2053 -3.752 0.756 9.791 332 HG3 PRO2053 2HG PRO2053 -3.488 1.851 11.196 333 HD2 PRO2053 1HD PRO2053 -2.083 1.785 8.699 334 HD3 PRO2053 2HD PRO2053 -1.684 2.775 10.111 335 H LEU2054 H LEU2054 -2.242 -0.530 8.414 336 HA LEU2054 HA LEU2054 -2.404 -3.231 8.070 337 HB2 LEU2054 1HB LEU2054 -2.353 -0.854 6.319 338 HB3 LEU2054 2HB LEU2054 -2.083 -2.420 5.532 339 HG LEU2054 HG LEU2054 -4.238 -3.037 5.751 340 HD11 LEU2054 1HD1 LEU2054 -4.085 -1.792 8.482 341 HD12 LEU2054 2HD1 LEU2054 -5.660 -2.237 7.777 342 HD13 LEU2054 3HD1 LEU2054 -4.408 -3.479 8.016 343 HD21 LEU2054 3HD2 LEU2054 -5.233 -1.316 4.774 344 HD22 LEU2054 1HD2 LEU2054 -5.507 -0.576 6.369 345 HD23 LEU2054 2HD2 LEU2054 -4.027 -0.198 5.454 346 H HIS2055 H HIS2055 0.264 -1.055 6.905 347 HA HIS2055 HA HIS2055 1.836 -3.115 5.923 348 HB2 HIS2055 1HB HIS2055 2.424 -0.320 6.879 349 HB3 HIS2055 2HB HIS2055 3.710 -1.378 6.285 350 HD1 HIS2055 1HD HIS2055 3.926 0.554 4.385 351 HD2 HIS2055 2HD HIS2055 0.460 -1.806 4.271 352 HE1 HIS2055 1HE HIS2055 2.910 0.890 2.069 353 HE2 HIS2055 2HE HIS2055 0.776 -0.583 2.050 354 H ALA2056 H ALA2056 1.920 -1.427 9.137 355 HA ALA2056 HA ALA2056 4.019 -2.808 10.235 356 HB1 ALA2056 3HB ALA2056 1.481 -1.639 11.424 357 HB2 ALA2056 1HB ALA2056 2.799 -2.296 12.424 358 HB3 ALA2056 2HB ALA2056 3.102 -0.907 11.353 359 H MET2057 H MET2057 0.493 -3.662 10.238 360 HA MET2057 HA MET2057 0.652 -5.909 11.743 361 HB2 MET2057 1HB MET2057 -1.555 -5.850 11.180 362 HB3 MET2057 2HB MET2057 -1.200 -4.643 9.934 363 HG2 MET2057 1HG MET2057 -0.764 -6.414 8.295 364 HG3 MET2057 2HG MET2057 -0.933 -7.660 9.532 365 HE1 MET2057 3HE MET2057 -4.039 -7.417 6.877 366 HE2 MET2057 1HE MET2057 -2.801 -6.165 6.615 367 HE3 MET2057 2HE MET2057 -2.314 -7.843 6.952 368 H MET2058 H MET2058 1.487 -5.458 8.287 369 HA MET2058 HA MET2058 1.692 -8.193 7.722 370 HB2 MET2058 1HB MET2058 2.989 -5.731 6.446 371 HB3 MET2058 2HB MET2058 2.950 -7.333 5.690 372 HG2 MET2058 1HG MET2058 0.287 -6.450 6.571 373 HG3 MET2058 2HG MET2058 1.012 -5.309 5.434 374 HE1 MET2058 3HE MET2058 -1.483 -6.999 5.378 375 HE2 MET2058 1HE MET2058 -1.596 -7.986 3.901 376 HE3 MET2058 2HE MET2058 -1.090 -8.733 5.435 377 H GLU2059 H GLU2059 3.900 -5.766 9.105 378 HA GLU2059 HA GLU2059 6.197 -7.385 8.727 379 HB2 GLU2059 1HB GLU2059 5.983 -5.127 10.726 380 HB3 GLU2059 2HB GLU2059 7.393 -5.632 9.781 381 HG2 GLU2059 1HG GLU2059 5.842 -4.996 7.724 382 HG3 GLU2059 2HG GLU2059 4.981 -4.021 8.925 383 HE2 GLU2059 HE GLU2059 7.383 -1.595 8.944 384 H ARG2060 H ARG2060 4.470 -6.230 11.723 385 HA ARG2060 HA ARG2060 5.764 -8.148 13.299 386 HB2 ARG2060 1HB ARG2060 4.207 -7.391 15.078 387 HB3 ARG2060 2HB ARG2060 4.894 -6.005 14.214 388 HG2 ARG2060 1HG ARG2060 2.837 -5.871 12.827 389 HG3 ARG2060 2HG ARG2060 2.148 -7.246 13.710 390 HD2 ARG2060 1HD ARG2060 3.137 -4.916 15.322 391 HD3 ARG2060 2HD ARG2060 1.648 -4.675 14.396 392 HE ARG2060 HE ARG2060 0.558 -6.283 15.764 393 HH11 ARG2060 2HH2 ARG2060 4.007 -6.102 16.553 394 HH12 ARG2060 1HH2 ARG2060 3.843 -6.996 18.026 395 H GLY2061 H GLY2061 3.063 -8.252 11.138 396 HA2 GLY2061 2HA GLY2061 2.111 -10.768 12.374 397 HA3 GLY2061 3HA GLY2061 1.072 -9.628 11.541 398 HA PRO2062 HA PRO2062 3.807 -11.725 8.270 399 HB2 PRO2062 1HB PRO2062 5.383 -13.829 9.013 400 HB3 PRO2062 2HB PRO2062 5.986 -12.181 8.857 401 HG2 PRO2062 1HG PRO2062 5.326 -13.739 11.271 402 HG3 PRO2062 2HG PRO2062 6.372 -12.281 11.128 403 HD2 PRO2062 1HD PRO2062 3.708 -12.467 12.164 404 HD3 PRO2062 2HD PRO2062 4.635 -10.985 11.894 405 H GLN2063 H GLN2063 4.249 -14.392 7.563 406 HA GLN2063 HA GLN2063 1.900 -15.761 8.468 407 HB2 GLN2063 1HB GLN2063 1.049 -14.315 6.634 408 HB3 GLN2063 2HB GLN2063 2.220 -15.042 5.520 409 HG2 GLN2063 1HG GLN2063 0.636 -16.589 5.071 410 HG3 GLN2063 2HG GLN2063 0.932 -17.249 6.688 411 HE21 GLN2063 1HE2 GLN2063 -1.144 -17.896 7.030 412 HE22 GLN2063 2HE2 GLN2063 -2.477 -16.817 7.278 413 H THR2064 H THR2064 3.904 -15.979 5.448 414 HA THR2064 HA THR2064 5.467 -18.131 6.541 415 HB THR2064 HB THR2064 4.615 -19.774 4.804 416 HG1 THR2064 1HG THR2064 2.884 -19.037 3.535 417 HG21 THR2064 3HG2 THR2064 2.282 -18.704 6.460 418 HG22 THR2064 1HG2 THR2064 2.565 -20.380 5.931 419 HG23 THR2064 2HG2 THR2064 3.597 -19.657 7.188 420 H LEU2065 H LEU2065 6.732 -19.169 4.485 421 HA LEU2065 HA LEU2065 8.323 -17.073 3.573 422 HB2 LEU2065 1HB LEU2065 8.546 -19.751 3.778 423 HB3 LEU2065 2HB LEU2065 8.322 -19.586 2.027 424 HG LEU2065 HG LEU2065 10.659 -19.640 2.471 425 HD11 LEU2065 1HD1 LEU2065 9.987 -16.719 2.047 426 HD12 LEU2065 2HD1 LEU2065 11.422 -17.607 1.478 427 HD13 LEU2065 3HD1 LEU2065 9.819 -17.975 0.795 428 HD21 LEU2065 3HD2 LEU2065 11.586 -18.950 4.363 429 HD22 LEU2065 1HD2 LEU2065 11.063 -17.275 4.065 430 HD23 LEU2065 2HD2 LEU2065 9.981 -18.409 4.909 431 H LYS2066 H LYS2066 5.343 -18.510 2.340 432 HA LYS2066 HA LYS2066 5.618 -17.665 -0.326 433 HB2 LYS2066 1HB LYS2066 3.743 -19.058 1.276 434 HB3 LYS2066 2HB LYS2066 2.866 -17.736 0.484 435 HG2 LYS2066 1HG LYS2066 4.712 -18.966 -1.386 436 HG3 LYS2066 2HG LYS2066 3.696 -20.218 -0.652 437 HD2 LYS2066 1HD LYS2066 2.237 -19.607 -2.298 438 HD3 LYS2066 2HD LYS2066 1.813 -18.303 -1.175 439 HE2 LYS2066 1HE LYS2066 3.275 -16.753 -2.313 440 HE3 LYS2066 2HE LYS2066 4.006 -18.043 -3.280 441 HZ1 LYS2066 2HZ LYS2066 2.415 -17.066 -4.683 442 HZ3 LYS2066 1HZ LYS2066 1.289 -16.905 -3.517 443 H GLU2067 H GLU2067 4.538 -16.072 2.683 444 HA GLU2067 HA GLU2067 3.579 -13.809 1.230 445 HB2 GLU2067 1HB GLU2067 3.319 -14.875 3.876 446 HB3 GLU2067 2HB GLU2067 3.938 -13.223 4.025 447 HG2 GLU2067 1HG GLU2067 1.567 -13.014 4.011 448 HG3 GLU2067 2HG GLU2067 2.070 -12.543 2.381 449 HE2 GLU2067 HE GLU2067 -0.113 -14.838 1.115 450 H THR2068 H THR2068 6.600 -14.952 2.566 451 HA THR2068 HA THR2068 7.830 -12.503 3.147 452 HB THR2068 HB THR2068 8.624 -15.354 2.586 453 HG1 THR2068 1HG THR2068 8.880 -15.050 4.767 454 HG21 THR2068 3HG2 THR2068 10.689 -13.129 2.938 455 HG22 THR2068 1HG2 THR2068 10.991 -14.856 2.636 456 HG23 THR2068 2HG2 THR2068 10.319 -13.831 1.344 457 H SER2069 H SER2069 7.336 -14.267 0.078 458 HA SER2069 HA SER2069 9.116 -12.605 -1.340 459 HB2 SER2069 1HB SER2069 6.937 -14.551 -2.142 460 HB3 SER2069 2HB SER2069 7.836 -13.625 -3.357 461 HG SER2069 HG SER2069 9.126 -15.241 -1.339 462 H PHE2070 H PHE2070 5.669 -12.522 -0.458 463 HA PHE2070 HA PHE2070 4.859 -10.632 -2.368 464 HB2 PHE2070 1HB PHE2070 3.353 -12.099 -1.023 465 HB3 PHE2070 2HB PHE2070 3.928 -11.357 0.474 466 HD1 PHE2070 2HD PHE2070 1.817 -10.921 -2.489 467 HD2 PHE2070 1HD PHE2070 3.120 -9.183 1.157 468 HE1 PHE2070 2HE PHE2070 -0.040 -9.238 -2.626 469 HE2 PHE2070 1HE PHE2070 1.263 -7.500 1.018 470 HZ PHE2070 HZ PHE2070 -0.296 -7.549 -0.873 471 H ASN2071 H ASN2071 5.827 -10.300 1.120 472 HA ASN2071 HA ASN2071 5.528 -7.542 1.142 473 HB2 ASN2071 1HB ASN2071 6.118 -9.524 2.996 474 HB3 ASN2071 2HB ASN2071 7.652 -8.648 2.915 475 HD21 ASN2071 1HD2 ASN2071 6.542 -8.551 5.246 476 HD22 ASN2071 2HD2 ASN2071 5.742 -7.053 5.588 477 H GLN2072 H GLN2072 8.100 -9.760 0.088 478 HA GLN2072 HA GLN2072 10.124 -7.770 0.098 479 HB2 GLN2072 1HB GLN2072 9.876 -10.644 -0.609 480 HB3 GLN2072 2HB GLN2072 11.116 -9.754 -1.511 481 HG2 GLN2072 1HG GLN2072 10.979 -9.315 1.451 482 HG3 GLN2072 2HG GLN2072 11.585 -10.888 0.904 483 HE21 GLN2072 1HE2 GLN2072 12.442 -7.868 1.798 484 HE22 GLN2072 2HE2 GLN2072 13.956 -7.678 0.979 485 H ALA2073 H ALA2073 8.174 -9.487 -2.437 486 HA ALA2073 HA ALA2073 9.180 -8.446 -4.696 487 HB1 ALA2073 3HB ALA2073 6.973 -8.762 -5.658 488 HB2 ALA2073 1HB ALA2073 7.255 -10.039 -4.449 489 HB3 ALA2073 2HB ALA2073 6.213 -8.651 -4.052 490 H TYR2074 H TYR2074 6.692 -6.832 -2.594 491 HA TYR2074 HA TYR2074 7.110 -4.369 -4.086 492 HB2 TYR2074 1HB TYR2074 5.351 -5.055 -1.663 493 HB3 TYR2074 2HB TYR2074 5.103 -3.704 -2.775 494 HD1 TYR2074 2HD TYR2074 5.142 -4.778 -5.405 495 HD2 TYR2074 1HD TYR2074 3.670 -6.620 -1.836 496 HE1 TYR2074 2HE TYR2074 3.585 -6.233 -6.789 497 HE2 TYR2074 1HE TYR2074 2.116 -8.069 -3.232 498 HH TYR2074 HH TYR2074 1.921 -7.637 -6.743 499 H GLY2075 H GLY2075 8.223 -5.975 -1.211 500 HA2 GLY2075 2HA GLY2075 8.557 -4.135 0.710 501 HA3 GLY2075 3HA GLY2075 9.798 -5.290 0.269 502 H ARG2076 H ARG2076 10.104 -4.126 -2.510 503 HA ARG2076 HA ARG2076 11.985 -2.146 -1.733 504 HB2 ARG2076 1HB ARG2076 11.607 -3.937 -3.923 505 HB3 ARG2076 2HB ARG2076 11.611 -2.307 -4.617 506 HG2 ARG2076 1HG ARG2076 13.724 -3.357 -2.690 507 HG3 ARG2076 2HG ARG2076 13.901 -3.399 -4.453 508 HD2 ARG2076 1HD ARG2076 13.391 -0.830 -4.314 509 HD3 ARG2076 2HD ARG2076 13.801 -0.996 -2.599 510 HE ARG2076 HE ARG2076 16.054 -1.366 -3.196 511 HH11 ARG2076 2HH2 ARG2076 14.019 -1.431 -6.096 512 HH12 ARG2076 1HH2 ARG2076 15.362 -1.400 -7.189 513 H ASP2077 H ASP2077 8.928 -2.321 -3.666 514 HA ASP2077 HA ASP2077 8.942 0.298 -4.519 515 HB2 ASP2077 1HB ASP2077 6.870 -1.832 -4.089 516 HB3 ASP2077 2HB ASP2077 6.284 -0.185 -4.360 517 HD2 ASP2077 HD ASP2077 7.385 -0.163 -7.688 518 H LEU2078 H LEU2078 7.123 -1.281 -1.773 519 HA LEU2078 HA LEU2078 6.023 1.002 -0.706 520 HB2 LEU2078 1HB LEU2078 6.777 -1.677 0.369 521 HB3 LEU2078 2HB LEU2078 6.188 -0.424 1.477 522 HG LEU2078 HG LEU2078 4.151 -0.250 -0.037 523 HD11 LEU2078 1HD1 LEU2078 5.631 -2.421 -1.400 524 HD12 LEU2078 2HD1 LEU2078 3.887 -2.693 -1.166 525 HD13 LEU2078 3HD1 LEU2078 4.451 -1.248 -2.036 526 HD21 LEU2078 3HD2 LEU2078 4.417 -2.977 1.221 527 HD22 LEU2078 1HD2 LEU2078 4.360 -1.490 2.197 528 HD23 LEU2078 2HD2 LEU2078 2.994 -1.911 1.137 529 H MET2079 H MET2079 9.314 -0.358 -0.381 530 HA MET2079 HA MET2079 10.136 1.110 1.780 531 HB2 MET2079 1HB MET2079 11.261 -0.535 -0.299 532 HB3 MET2079 2HB MET2079 12.273 0.915 -0.185 533 HG2 MET2079 1HG MET2079 12.998 0.389 1.949 534 HG3 MET2079 2HG MET2079 11.476 -0.383 2.401 535 HE1 MET2079 3HE MET2079 12.706 -3.311 3.137 536 HE2 MET2079 1HE MET2079 11.265 -2.292 2.898 537 HE3 MET2079 2HE MET2079 11.535 -3.712 1.857 538 H GLU2080 H GLU2080 10.432 1.923 -1.752 539 HA GLU2080 HA GLU2080 11.503 4.465 -1.181 540 HB2 GLU2080 1HB GLU2080 11.622 4.749 -3.496 541 HB3 GLU2080 2HB GLU2080 11.707 2.987 -3.335 542 HG2 GLU2080 1HG GLU2080 9.030 3.259 -3.502 543 HG3 GLU2080 2HG GLU2080 9.489 4.722 -4.385 544 HE2 GLU2080 HE GLU2080 11.414 2.532 -6.632 545 H ALA2081 H ALA2081 8.238 3.141 -1.807 546 HA ALA2081 HA ALA2081 6.950 5.591 -2.243 547 HB1 ALA2081 3HB ALA2081 6.104 3.257 -2.752 548 HB2 ALA2081 1HB ALA2081 5.794 3.060 -1.011 549 HB3 ALA2081 2HB ALA2081 4.928 4.314 -1.932 550 H GLN2082 H GLN2082 7.708 3.687 0.724 551 HA GLN2082 HA GLN2082 6.225 5.315 2.428 552 HB2 GLN2082 1HB GLN2082 6.852 3.115 3.142 553 HB3 GLN2082 2HB GLN2082 8.577 3.442 2.897 554 HG2 GLN2082 1HG GLN2082 8.733 4.189 5.016 555 HG3 GLN2082 2HG GLN2082 7.529 5.444 4.682 556 HE21 GLN2082 1HE2 GLN2082 5.269 4.854 4.843 557 HE22 GLN2082 2HE2 GLN2082 4.755 3.677 6.005 558 H GLU2083 H GLU2083 9.516 5.518 1.077 559 HA GLU2083 HA GLU2083 10.447 7.426 2.900 560 HB2 GLU2083 1HB GLU2083 12.355 6.926 1.840 561 HB3 GLU2083 2HB GLU2083 11.450 5.981 0.646 562 HG2 GLU2083 1HG GLU2083 11.039 8.105 -0.634 563 HG3 GLU2083 2HG GLU2083 12.061 8.972 0.523 564 HE2 GLU2083 HE GLU2083 13.677 6.905 -2.413 565 H TRP2084 H TRP2084 8.657 7.582 -0.196 566 HA TRP2084 HA TRP2084 8.997 10.354 -0.594 567 HB2 TRP2084 1HB TRP2084 7.007 8.338 -1.618 568 HB3 TRP2084 2HB TRP2084 6.976 10.038 -2.093 569 HD1 TRP2084 HD TRP2084 8.594 6.793 -3.018 570 HE1 TRP2084 1HE TRP2084 10.457 7.065 -4.868 571 HE3 TRP2084 3HE TRP2084 8.888 11.860 -2.726 572 HZ2 TRP2084 2HZ TRP2084 11.812 9.317 -5.977 573 HZ3 TRP2084 3HZ TRP2084 10.506 13.019 -4.227 574 HH2 TRP2084 HH TRP2084 11.938 11.830 -5.811 575 H CYS2085 H CYS2085 6.691 8.277 1.208 576 HA CYS2085 HA CYS2085 4.773 10.219 1.710 577 HB2 CYS2085 1HB CYS2085 4.104 8.046 2.151 578 HB3 CYS2085 2HB CYS2085 5.562 7.658 3.082 579 HG CYS2085 HG CYS2085 4.731 8.216 5.226 580 H ARG2086 H ARG2086 7.679 9.124 3.600 581 HA ARG2086 HA ARG2086 7.327 10.837 5.707 582 HB2 ARG2086 1HB ARG2086 9.557 9.260 4.532 583 HB3 ARG2086 2HB ARG2086 10.081 10.616 5.545 584 HG2 ARG2086 1HG ARG2086 9.875 8.894 7.109 585 HG3 ARG2086 2HG ARG2086 8.289 9.672 7.245 586 HD2 ARG2086 1HD ARG2086 7.651 7.930 5.330 587 HD3 ARG2086 2HD ARG2086 9.038 7.036 5.970 588 HE ARG2086 HE ARG2086 6.448 7.296 7.204 589 HH11 ARG2086 2HH2 ARG2086 9.891 7.160 8.024 590 HH12 ARG2086 1HH2 ARG2086 9.614 6.529 9.613 591 H LYS2087 H LYS2087 8.987 11.273 2.537 592 HA LYS2087 HA LYS2087 10.239 13.686 3.065 593 HB2 LYS2087 1HB LYS2087 9.194 12.393 0.553 594 HB3 LYS2087 2HB LYS2087 10.010 13.967 0.518 595 HG2 LYS2087 1HG LYS2087 12.018 13.014 1.482 596 HG3 LYS2087 2HG LYS2087 11.208 11.468 1.797 597 HD2 LYS2087 1HD LYS2087 12.062 10.817 -0.196 598 HD3 LYS2087 2HD LYS2087 10.809 11.829 -0.936 599 HE2 LYS2087 1HE LYS2087 12.446 13.076 -1.852 600 HE3 LYS2087 2HE LYS2087 12.919 13.599 -0.227 601 HZ1 LYS2087 2HZ LYS2087 14.317 11.546 -0.136 602 HZ3 LYS2087 1HZ LYS2087 14.799 12.579 -1.300 603 H TYR2088 H TYR2088 6.895 12.975 1.895 604 HA TYR2088 HA TYR2088 6.196 15.704 1.631 605 HB2 TYR2088 1HB TYR2088 4.887 14.095 0.440 606 HB3 TYR2088 2HB TYR2088 4.897 12.953 1.787 607 HD1 TYR2088 2HD TYR2088 3.397 13.395 3.772 608 HD2 TYR2088 1HD TYR2088 3.123 15.649 0.145 609 HE1 TYR2088 2HE TYR2088 1.071 14.185 4.430 610 HE2 TYR2088 1HE TYR2088 0.799 16.431 0.816 611 HH TYR2088 HH TYR2088 -0.381 16.102 3.940 612 H MET2089 H MET2089 5.660 13.209 4.202 613 HA MET2089 HA MET2089 4.078 14.778 5.810 614 HB2 MET2089 1HB MET2089 6.019 12.486 6.297 615 HB3 MET2089 2HB MET2089 5.132 13.201 7.655 616 HG2 MET2089 1HG MET2089 3.060 12.819 5.967 617 HG3 MET2089 2HG MET2089 4.123 11.553 5.347 618 HE1 MET2089 3HE MET2089 1.195 10.366 7.498 619 HE2 MET2089 1HE MET2089 1.356 11.832 8.497 620 HE3 MET2089 2HE MET2089 1.392 11.955 6.721 621 H LYS2090 H LYS2090 7.566 14.825 5.246 622 HA LYS2090 HA LYS2090 8.003 16.468 7.603 623 HB2 LYS2090 1HB LYS2090 9.517 14.554 6.257 624 HB3 LYS2090 2HB LYS2090 10.303 16.094 5.867 625 HG2 LYS2090 1HG LYS2090 9.513 15.272 8.688 626 HG3 LYS2090 2HG LYS2090 11.114 14.940 8.004 627 HD2 LYS2090 1HD LYS2090 11.787 17.054 8.413 628 HD3 LYS2090 2HD LYS2090 10.373 17.733 7.586 629 HE2 LYS2090 1HE LYS2090 9.347 18.189 9.553 630 HE3 LYS2090 2HE LYS2090 9.667 16.570 10.193 631 HZ1 LYS2090 2HZ LYS2090 12.006 18.252 10.047 632 HZ3 LYS2090 1HZ LYS2090 11.471 17.345 11.291 633 H SER2091 H SER2091 8.540 16.625 4.011 634 HA SER2091 HA SER2091 8.978 19.422 4.186 635 HB2 SER2091 1HB SER2091 8.705 17.450 1.901 636 HB3 SER2091 2HB SER2091 8.880 19.189 1.602 637 HG SER2091 HG SER2091 10.948 19.149 2.353 638 H GLY2092 H GLY2092 6.513 17.403 2.410 639 HA2 GLY2092 2HA GLY2092 4.189 17.747 2.650 640 HA3 GLY2092 3HA GLY2092 4.478 19.415 3.105 641 H ASN2093 H ASN2093 4.445 17.082 0.392 642 HA ASN2093 HA ASN2093 3.815 19.277 -1.348 643 HB2 ASN2093 1HB ASN2093 6.442 18.123 -1.290 644 HB3 ASN2093 2HB ASN2093 5.671 17.554 -2.777 645 HD21 ASN2093 1HD2 ASN2093 7.545 19.886 -1.481 646 HD22 ASN2093 2HD2 ASN2093 7.232 21.218 -2.544 647 H VAL2094 H VAL2094 2.002 18.536 -2.461 648 HA VAL2094 HA VAL2094 1.061 15.953 -2.290 649 HB VAL2094 HB VAL2094 0.534 18.305 -4.065 650 HG11 VAL2094 1HG1 VAL2094 -0.359 15.487 -4.539 651 HG12 VAL2094 2HG1 VAL2094 -1.523 16.804 -4.816 652 HG13 VAL2094 3HG1 VAL2094 0.021 16.780 -5.703 653 HG21 VAL2094 3HG2 VAL2094 -1.244 16.766 -2.144 654 HG22 VAL2094 1HG2 VAL2094 -0.316 18.227 -1.728 655 HG23 VAL2094 2HG2 VAL2094 -1.614 18.314 -2.942 656 H LYS2095 H LYS2095 3.419 17.419 -4.501 657 HA LYS2095 HA LYS2095 3.307 15.557 -6.550 658 HB2 LYS2095 1HB LYS2095 4.505 17.771 -6.488 659 HB3 LYS2095 2HB LYS2095 5.799 16.974 -5.575 660 HG2 LYS2095 1HG LYS2095 4.979 15.470 -7.970 661 HG3 LYS2095 2HG LYS2095 5.574 17.093 -8.361 662 HD2 LYS2095 1HD LYS2095 7.677 16.666 -7.279 663 HD3 LYS2095 2HD LYS2095 7.075 15.182 -6.519 664 HE2 LYS2095 1HE LYS2095 6.755 14.248 -8.871 665 HE3 LYS2095 2HE LYS2095 7.615 15.669 -9.483 666 HZ1 LYS2095 2HZ LYS2095 9.077 13.720 -9.083 667 HZ3 LYS2095 1HZ LYS2095 8.744 13.777 -7.490 668 H ASP2096 H ASP2096 5.285 15.584 -3.512 669 HA ASP2096 HA ASP2096 6.522 13.157 -4.082 670 HB2 ASP2096 1HB ASP2096 5.943 14.069 -1.260 671 HB3 ASP2096 2HB ASP2096 7.411 13.310 -1.893 672 HD2 ASP2096 HD ASP2096 8.282 16.704 -1.271 673 H LEU2097 H LEU2097 3.536 14.137 -2.312 674 HA LEU2097 HA LEU2097 2.979 11.645 -1.167 675 HB2 LEU2097 1HB LEU2097 1.963 13.545 -0.272 676 HB3 LEU2097 2HB LEU2097 1.321 14.065 -1.840 677 HG LEU2097 HG LEU2097 -0.318 12.309 -1.818 678 HD11 LEU2097 1HD1 LEU2097 0.246 10.358 -0.898 679 HD12 LEU2097 2HD1 LEU2097 1.470 11.111 0.153 680 HD13 LEU2097 3HD1 LEU2097 -0.237 11.073 0.660 681 HD21 LEU2097 3HD2 LEU2097 -1.248 12.839 0.678 682 HD22 LEU2097 1HD2 LEU2097 -0.088 14.172 0.461 683 HD23 LEU2097 2HD2 LEU2097 -1.405 13.937 -0.713 684 H THR2098 H THR2098 2.120 13.142 -4.331 685 HA THR2098 HA THR2098 0.387 11.099 -5.164 686 HB THR2098 HB THR2098 2.128 13.143 -6.634 687 HG1 THR2098 1HG THR2098 0.270 13.683 -5.102 688 HG21 THR2098 3HG2 THR2098 0.642 12.789 -8.564 689 HG22 THR2098 1HG2 THR2098 1.413 11.237 -8.160 690 HG23 THR2098 2HG2 THR2098 -0.271 11.549 -7.674 691 H GLN2099 H GLN2099 3.945 11.545 -5.616 692 HA GLN2099 HA GLN2099 4.302 9.367 -7.245 693 HB2 GLN2099 1HB GLN2099 5.912 11.256 -5.858 694 HB3 GLN2099 2HB GLN2099 6.560 9.658 -5.451 695 HG2 GLN2099 1HG GLN2099 5.850 10.203 -8.317 696 HG3 GLN2099 2HG GLN2099 7.299 10.994 -7.675 697 HE21 GLN2099 1HE2 GLN2099 6.633 8.687 -9.592 698 HE22 GLN2099 2HE2 GLN2099 7.692 7.401 -9.119 699 H ALA2100 H ALA2100 4.305 9.611 -3.636 700 HA ALA2100 HA ALA2100 5.051 6.969 -3.141 701 HB1 ALA2100 3HB ALA2100 3.225 8.714 -1.446 702 HB2 ALA2100 1HB ALA2100 4.321 7.423 -0.898 703 HB3 ALA2100 2HB ALA2100 4.988 8.943 -1.540 704 H TRP2101 H TRP2101 1.812 8.535 -3.542 705 HA TRP2101 HA TRP2101 0.338 6.204 -3.041 706 HB2 TRP2101 1HB TRP2101 -0.145 8.920 -3.724 707 HB3 TRP2101 2HB TRP2101 -1.057 7.908 -4.847 708 HD1 TRP2101 HD TRP2101 -1.713 9.598 -1.772 709 HE1 TRP2101 1HE TRP2101 -3.565 8.505 -0.243 710 HE3 TRP2101 3HE TRP2101 -1.673 5.059 -4.063 711 HZ2 TRP2101 2HZ TRP2101 -4.777 5.924 -0.163 712 HZ3 TRP2101 3HZ TRP2101 -3.222 3.308 -3.197 713 HH2 TRP2101 HH TRP2101 -4.738 3.681 -1.316 714 H ASP2102 H ASP2102 2.094 7.494 -5.850 715 HA ASP2102 HA ASP2102 0.813 5.954 -7.778 716 HB2 ASP2102 1HB ASP2102 2.741 7.917 -7.747 717 HB3 ASP2102 2HB ASP2102 3.718 6.501 -8.164 718 HD2 ASP2102 HD ASP2102 2.787 7.801 -11.303 719 H LEU2103 H LEU2103 3.865 5.537 -5.845 720 HA LEU2103 HA LEU2103 4.669 3.132 -6.969 721 HB2 LEU2103 1HB LEU2103 5.097 4.228 -4.195 722 HB3 LEU2103 2HB LEU2103 5.993 2.877 -4.908 723 HG LEU2103 HG LEU2103 5.957 5.587 -6.221 724 HD11 LEU2103 1HD1 LEU2103 7.613 4.726 -3.850 725 HD12 LEU2103 2HD1 LEU2103 8.158 5.985 -4.987 726 HD13 LEU2103 3HD1 LEU2103 6.651 6.209 -4.065 727 HD21 LEU2103 3HD2 LEU2103 7.046 4.309 -7.716 728 HD22 LEU2103 1HD2 LEU2103 8.426 4.529 -6.613 729 HD23 LEU2103 2HD2 LEU2103 7.440 3.050 -6.519 730 H TYR2104 H TYR2104 2.644 3.780 -4.029 731 HA TYR2104 HA TYR2104 2.228 1.160 -3.296 732 HB2 TYR2104 1HB TYR2104 0.463 3.677 -3.311 733 HB3 TYR2104 2HB TYR2104 0.051 2.239 -2.370 734 HD1 TYR2104 1HD TYR2104 3.030 1.661 -1.593 735 HD2 TYR2104 2HD TYR2104 0.566 5.153 -1.406 736 HE1 TYR2104 1HE TYR2104 4.423 2.548 0.338 737 HE2 TYR2104 2HE TYR2104 1.968 6.030 0.526 738 HH TYR2104 HH TYR2104 4.665 5.455 1.198 739 H TYR2105 H TYR2105 0.114 3.234 -5.409 740 HA TYR2105 HA TYR2105 -1.813 1.396 -5.983 741 HB2 TYR2105 1HB TYR2105 -1.124 3.936 -6.713 742 HB3 TYR2105 2HB TYR2105 -0.574 3.107 -8.172 743 HD1 TYR2105 1HD TYR2105 -2.791 0.961 -8.170 744 HD2 TYR2105 2HD TYR2105 -2.883 5.213 -7.695 745 HE1 TYR2105 1HE TYR2105 -5.167 1.019 -9.073 746 HE2 TYR2105 2HE TYR2105 -5.258 5.255 -8.599 747 HH TYR2105 HH TYR2105 -7.218 3.294 -8.602 748 H HIS2106 H HIS2106 1.469 1.706 -7.426 749 HA HIS2106 HA HIS2106 1.072 -0.040 -9.539 750 HB2 HIS2106 1HB HIS2106 3.069 1.560 -8.733 751 HB3 HIS2106 2HB HIS2106 3.733 0.009 -8.209 752 HD1 HIS2106 1HD HIS2106 3.252 2.147 -11.174 753 HD2 HIS2106 2HD HIS2106 4.043 -1.901 -10.414 754 HE1 HIS2106 1HE HIS2106 4.098 1.160 -13.369 755 HE2 HIS2106 2HE HIS2106 4.570 -1.336 -12.850 756 H VAL2107 H VAL2107 2.409 -0.663 -6.216 757 HA VAL2107 HA VAL2107 2.582 -3.450 -6.637 758 HB VAL2107 HB VAL2107 3.432 -3.521 -4.528 759 HG11 VAL2107 1HG1 VAL2107 4.456 -1.616 -5.968 760 HG12 VAL2107 2HG1 VAL2107 3.682 -0.528 -4.792 761 HG13 VAL2107 3HG1 VAL2107 4.887 -1.719 -4.245 762 HG21 VAL2107 3HG2 VAL2107 2.705 -2.241 -2.619 763 HG22 VAL2107 1HG2 VAL2107 1.722 -1.173 -3.649 764 HG23 VAL2107 2HG2 VAL2107 1.265 -2.883 -3.449 765 H PHE2108 H PHE2108 0.189 -1.308 -4.962 766 HA PHE2108 HA PHE2108 -1.479 -3.355 -4.105 767 HB2 PHE2108 1HB PHE2108 -1.617 -0.400 -4.754 768 HB3 PHE2108 2HB PHE2108 -3.158 -1.225 -4.495 769 HD1 PHE2108 1HD PHE2108 0.122 -0.504 -2.914 770 HD2 PHE2108 2HD PHE2108 -3.922 -1.638 -2.317 771 HE1 PHE2108 1HE PHE2108 0.414 -0.236 -0.437 772 HE2 PHE2108 2HE PHE2108 -3.631 -1.371 0.163 773 HZ PHE2108 HZ PHE2108 -1.466 -0.675 1.073 774 H ARG2109 H ARG2109 -1.067 -1.817 -7.277 775 HA ARG2109 HA ARG2109 -3.569 -2.678 -8.249 776 HB2 ARG2109 1HB ARG2109 -2.496 -0.767 -9.282 777 HB3 ARG2109 2HB ARG2109 -1.024 -1.694 -9.625 778 HG2 ARG2109 1HG ARG2109 -2.680 -3.242 -10.984 779 HG3 ARG2109 2HG ARG2109 -3.729 -1.813 -10.976 780 HD2 ARG2109 1HD ARG2109 -0.873 -1.336 -11.701 781 HD3 ARG2109 2HD ARG2109 -1.803 -2.289 -12.868 782 HE ARG2109 HE ARG2109 -3.095 -0.381 -13.358 783 HH11 ARG2109 2HH2 ARG2109 -1.128 0.229 -10.475 784 HH12 ARG2109 1HH2 ARG2109 -1.484 1.924 -10.439 785 H ARG2110 H ARG2110 -0.229 -3.957 -8.152 786 HA ARG2110 HA ARG2110 -0.611 -5.936 -10.069 787 HB2 ARG2110 1HB ARG2110 1.370 -5.353 -7.892 788 HB3 ARG2110 2HB ARG2110 1.364 -7.004 -8.537 789 HG2 ARG2110 1HG ARG2110 1.365 -4.660 -10.436 790 HG3 ARG2110 2HG ARG2110 2.882 -5.119 -9.642 791 HD2 ARG2110 1HD ARG2110 3.148 -6.740 -11.187 792 HD3 ARG2110 2HD ARG2110 1.683 -7.536 -10.593 793 HE ARG2110 HE ARG2110 0.468 -6.600 -12.391 794 HH11 ARG2110 2HH2 ARG2110 3.719 -5.195 -12.265 795 HH12 ARG2110 1HH2 ARG2110 3.587 -4.439 -13.819 796 H ILE2111 H ILE2111 -0.716 -5.973 -6.436 797 HA ILE2111 HA ILE2111 -1.181 -8.602 -5.989 798 HB ILE2111 HB ILE2111 -2.557 -7.772 -4.018 799 HG12 ILE2111 1HG1 ILE2111 -1.711 -5.078 -5.105 800 HG13 ILE2111 2HG1 ILE2111 -3.372 -5.697 -5.083 801 HG21 ILE2111 1HG2 ILE2111 -0.643 -7.352 -2.823 802 HG22 ILE2111 2HG2 ILE2111 0.033 -8.131 -4.275 803 HG23 ILE2111 3HG2 ILE2111 0.082 -6.360 -4.112 804 HD11 ILE2111 3HD1 ILE2111 -3.292 -4.403 -3.124 805 HD12 ILE2111 1HD1 ILE2111 -2.911 -6.026 -2.502 806 HD13 ILE2111 2HD1 ILE2111 -1.605 -4.849 -2.779 807 H SER2112 H SER2112 -3.393 -6.178 -7.372 808 HA SER2112 HA SER2112 -5.580 -8.034 -7.223 809 HB2 SER2112 1HB SER2112 -5.309 -5.233 -8.376 810 HB3 SER2112 2HB SER2112 -6.819 -6.162 -8.420 811 HG SER2112 HG SER2112 -6.433 -4.578 -6.575 812 H LYS2113 H LYS2113 -3.654 -6.293 -9.771 813 HA LYS2113 HA LYS2113 -4.777 -7.290 -12.009 814 HB2 LYS2113 1HB LYS2113 -2.364 -6.012 -11.277 815 HB3 LYS2113 2HB LYS2113 -1.925 -7.360 -12.339 816 HG2 LYS2113 1HG LYS2113 -4.303 -5.791 -13.190 817 HG3 LYS2113 2HG LYS2113 -2.774 -4.893 -13.216 818 HD2 LYS2113 1HD LYS2113 -2.062 -6.012 -15.045 819 HD3 LYS2113 2HD LYS2113 -2.475 -7.588 -14.345 820 HE2 LYS2113 1HE LYS2113 -4.899 -7.097 -14.944 821 HE3 LYS2113 2HE LYS2113 -4.332 -5.669 -15.826 822 HZ1 LYS2113 2HZ LYS2113 -2.913 -8.080 -16.512 823 HZ3 LYS2113 1HZ LYS2113 -3.601 -6.980 -17.498 824 H GLN2114 H GLN2114 -5.069 -9.245 -12.965 825 HA GLN2114 HA GLN2114 -4.171 -11.520 -11.529 826 HB2 GLN2114 1HB GLN2114 -6.215 -10.889 -13.430 827 HB3 GLN2114 2HB GLN2114 -5.273 -12.236 -14.092 828 HG2 GLN2114 1HG GLN2114 -5.951 -12.422 -11.195 829 HG3 GLN2114 2HG GLN2114 -7.330 -12.525 -12.301 830 HE21 GLN2114 1HE2 GLN2114 -7.861 -14.556 -12.538 831 HE22 GLN2114 2HE2 GLN2114 -6.800 -15.892 -12.837 Start of MODEL 26 1 H MET2014 H MET2014 -1.229 -16.426 -15.661 2 HA MET2014 HA MET2014 -3.354 -18.012 -14.453 3 HB2 MET2014 1HB MET2014 -0.873 -18.602 -16.071 4 HB3 MET2014 2HB MET2014 -1.393 -19.833 -14.907 5 HG2 MET2014 1HG MET2014 -3.778 -19.313 -16.098 6 HG3 MET2014 2HG MET2014 -2.709 -18.904 -17.443 7 HE1 MET2014 3HE MET2014 -1.618 -20.225 -18.803 8 HE2 MET2014 1HE MET2014 -0.396 -21.081 -17.831 9 HE3 MET2014 2HE MET2014 -1.530 -22.002 -18.848 10 H GLU2015 H GLU2015 -3.312 -17.652 -12.253 11 HA GLU2015 HA GLU2015 -0.673 -17.742 -11.016 12 HB2 GLU2015 1HB GLU2015 -2.273 -15.673 -10.815 13 HB3 GLU2015 2HB GLU2015 -3.133 -16.665 -9.626 14 HG2 GLU2015 1HG GLU2015 -0.477 -16.981 -8.878 15 HG3 GLU2015 2HG GLU2015 -0.512 -15.298 -9.427 16 HE2 GLU2015 HE GLU2015 -1.629 -14.556 -6.270 17 H LEU2016 H LEU2016 -3.478 -19.539 -11.614 18 HA LEU2016 HA LEU2016 -4.247 -21.456 -10.833 19 HB2 LEU2016 1HB LEU2016 -1.597 -21.430 -9.425 20 HB3 LEU2016 2HB LEU2016 -2.748 -22.765 -9.240 21 HG LEU2016 HG LEU2016 -2.635 -22.704 -11.908 22 HD11 LEU2016 1HD1 LEU2016 -1.165 -20.809 -12.115 23 HD12 LEU2016 2HD1 LEU2016 0.037 -21.569 -11.042 24 HD13 LEU2016 3HD1 LEU2016 -0.300 -22.275 -12.640 25 HD21 LEU2016 3HD2 LEU2016 -2.106 -24.584 -10.314 26 HD22 LEU2016 1HD2 LEU2016 -1.161 -24.566 -11.822 27 HD23 LEU2016 2HD2 LEU2016 -0.424 -24.003 -10.303 28 H ILE2017 H ILE2017 -2.929 -21.630 -7.693 29 HA ILE2017 HA ILE2017 -5.393 -21.328 -6.461 30 HB ILE2017 HB ILE2017 -2.871 -22.207 -5.782 31 HG12 ILE2017 1HG1 ILE2017 -4.137 -22.448 -3.443 32 HG13 ILE2017 2HG1 ILE2017 -5.532 -22.020 -4.453 33 HG21 ILE2017 1HG2 ILE2017 -2.376 -19.798 -5.141 34 HG22 ILE2017 2HG2 ILE2017 -3.540 -20.017 -3.814 35 HG23 ILE2017 3HG2 ILE2017 -2.084 -21.036 -3.895 36 HD11 ILE2017 3HD1 ILE2017 -5.119 -23.894 -5.930 37 HD12 ILE2017 1HD1 ILE2017 -3.541 -24.216 -5.174 38 HD13 ILE2017 2HD1 ILE2017 -5.042 -24.515 -4.262 39 H ARG2018 H ARG2018 -6.138 -19.671 -4.929 40 HA ARG2018 HA ARG2018 -4.903 -17.239 -4.669 41 HB2 ARG2018 1HB ARG2018 -5.266 -16.809 -7.020 42 HB3 ARG2018 2HB ARG2018 -6.949 -17.363 -6.935 43 HG2 ARG2018 1HG ARG2018 -7.602 -15.263 -6.461 44 HG3 ARG2018 2HG ARG2018 -6.615 -15.274 -4.990 45 HD2 ARG2018 1HD ARG2018 -5.710 -13.461 -6.157 46 HD3 ARG2018 2HD ARG2018 -4.627 -14.764 -6.670 47 HE ARG2018 HE ARG2018 -6.894 -14.575 -8.444 48 HH11 ARG2018 2HH2 ARG2018 -3.852 -12.936 -7.660 49 HH12 ARG2018 1HH2 ARG2018 -3.661 -12.265 -9.245 50 H VAL2019 H VAL2019 -6.009 -16.050 -3.058 51 HA VAL2019 HA VAL2019 -8.733 -16.979 -2.460 52 HB VAL2019 HB VAL2019 -7.666 -17.959 -0.725 53 HG11 VAL2019 1HG1 VAL2019 -5.581 -16.768 0.366 54 HG12 VAL2019 2HG1 VAL2019 -5.411 -17.704 -1.138 55 HG13 VAL2019 3HG1 VAL2019 -5.508 -15.928 -1.201 56 HG21 VAL2019 3HG2 VAL2019 -9.148 -16.273 0.258 57 HG22 VAL2019 1HG2 VAL2019 -7.725 -16.549 1.293 58 HG23 VAL2019 2HG2 VAL2019 -7.815 -15.093 0.272 59 HA PRO2020 HA PRO2020 -9.442 -12.696 -2.853 60 HB2 PRO2020 1HB PRO2020 -12.150 -12.754 -2.492 61 HB3 PRO2020 2HB PRO2020 -11.379 -13.044 -4.049 62 HG2 PRO2020 1HG PRO2020 -12.573 -14.950 -2.137 63 HG3 PRO2020 2HG PRO2020 -12.236 -15.181 -3.892 64 HD2 PRO2020 1HD PRO2020 -10.791 -16.225 -1.650 65 HD3 PRO2020 2HD PRO2020 -10.331 -16.346 -3.354 66 H ILE2021 H ILE2021 -10.139 -14.620 -0.122 67 HA ILE2021 HA ILE2021 -10.374 -12.159 1.463 68 HB ILE2021 HB ILE2021 -11.190 -13.992 3.184 69 HG12 ILE2021 1HG1 ILE2021 -10.715 -15.754 1.332 70 HG13 ILE2021 2HG1 ILE2021 -12.172 -15.900 2.331 71 HG21 ILE2021 1HG2 ILE2021 -13.520 -13.525 2.431 72 HG22 ILE2021 2HG2 ILE2021 -12.495 -12.077 2.572 73 HG23 ILE2021 3HG2 ILE2021 -12.850 -12.764 0.968 74 HD11 ILE2021 3HD1 ILE2021 -12.280 -16.086 -0.336 75 HD12 ILE2021 1HD1 ILE2021 -13.584 -15.289 0.579 76 HD13 ILE2021 2HD1 ILE2021 -12.335 -14.311 -0.225 77 H LEU2022 H LEU2022 -8.255 -11.603 1.874 78 HA LEU2022 HA LEU2022 -6.903 -13.015 3.846 79 HB2 LEU2022 1HB LEU2022 -4.965 -13.827 2.601 80 HB3 LEU2022 2HB LEU2022 -6.454 -14.708 2.222 81 HG LEU2022 HG LEU2022 -5.836 -14.469 0.093 82 HD11 LEU2022 1HD1 LEU2022 -6.649 -11.606 0.637 83 HD12 LEU2022 2HD1 LEU2022 -6.390 -12.279 -0.988 84 HD13 LEU2022 3HD1 LEU2022 -7.672 -12.941 0.054 85 HD21 LEU2022 3HD2 LEU2022 -4.144 -12.643 -0.611 86 HD22 LEU2022 1HD2 LEU2022 -3.912 -12.407 1.138 87 HD23 LEU2022 2HD2 LEU2022 -3.584 -13.996 0.403 88 H TRP2023 H TRP2023 -4.200 -12.214 3.015 89 HA TRP2023 HA TRP2023 -4.051 -9.715 4.014 90 HB2 TRP2023 1HB TRP2023 -2.342 -11.326 2.197 91 HB3 TRP2023 2HB TRP2023 -1.959 -9.613 2.364 92 HD1 TRP2023 HD TRP2023 -3.320 -11.163 5.535 93 HE1 TRP2023 1HE TRP2023 -1.442 -11.546 7.350 94 HE3 TRP2023 3HE TRP2023 0.601 -10.240 2.434 95 HZ2 TRP2023 2HZ TRP2023 1.408 -11.421 7.286 96 HZ3 TRP2023 3HZ TRP2023 2.899 -10.392 3.388 97 HH2 TRP2023 HH TRP2023 3.335 -10.958 5.725 98 H HIS2024 H HIS2024 -4.313 -10.639 0.506 99 HA HIS2024 HA HIS2024 -4.263 -8.202 -0.629 100 HB2 HIS2024 1HB HIS2024 -6.191 -10.408 -1.378 101 HB3 HIS2024 2HB HIS2024 -5.573 -9.136 -2.438 102 HD1 HIS2024 1HD HIS2024 -5.190 -12.146 -3.126 103 HD2 HIS2024 2HD HIS2024 -2.372 -9.800 -1.086 104 HE1 HIS2024 1HE HIS2024 -2.930 -13.280 -3.471 105 HE2 HIS2024 2HE HIS2024 -1.228 -11.799 -2.192 106 H GLU2025 H GLU2025 -6.944 -9.689 1.224 107 HA GLU2025 HA GLU2025 -8.890 -7.864 0.523 108 HB2 GLU2025 1HB GLU2025 -9.294 -10.013 1.692 109 HB3 GLU2025 2HB GLU2025 -8.554 -9.358 3.162 110 HG2 GLU2025 1HG GLU2025 -10.568 -7.519 2.190 111 HG3 GLU2025 2HG GLU2025 -11.273 -9.139 2.301 112 HE2 GLU2025 HE GLU2025 -10.978 -9.260 5.764 113 H MET2026 H MET2026 -6.257 -7.742 2.940 114 HA MET2026 HA MET2026 -7.266 -5.473 4.258 115 HB2 MET2026 1HB MET2026 -5.341 -5.699 5.569 116 HB3 MET2026 2HB MET2026 -5.395 -7.325 4.868 117 HG2 MET2026 1HG MET2026 -3.182 -6.734 4.431 118 HG3 MET2026 2HG MET2026 -3.948 -6.182 2.938 119 HE1 MET2026 3HE MET2026 -1.256 -5.361 4.902 120 HE2 MET2026 1HE MET2026 -1.339 -4.871 3.193 121 HE3 MET2026 2HE MET2026 -1.082 -3.646 4.459 122 H TRP2027 H TRP2027 -5.296 -6.020 1.364 123 HA TRP2027 HA TRP2027 -4.198 -3.404 1.257 124 HB2 TRP2027 1HB TRP2027 -4.524 -5.567 -0.821 125 HB3 TRP2027 2HB TRP2027 -3.663 -4.050 -1.094 126 HD1 TRP2027 HD TRP2027 -3.357 -7.303 0.995 127 HE1 TRP2027 1HE TRP2027 -0.857 -7.712 1.740 128 HE3 TRP2027 3HE TRP2027 -1.564 -2.867 -0.725 129 HZ2 TRP2027 2HZ TRP2027 1.533 -6.169 1.533 130 HZ3 TRP2027 3HZ TRP2027 0.865 -2.395 -0.414 131 HH2 TRP2027 HH TRP2027 2.397 -3.961 0.670 132 H HIS2028 H HIS2028 -6.990 -5.121 -0.299 133 HA HIS2028 HA HIS2028 -7.837 -2.915 -1.782 134 HB2 HIS2028 1HB HIS2028 -8.836 -5.581 -1.066 135 HB3 HIS2028 2HB HIS2028 -10.112 -4.397 -1.370 136 HD1 HIS2028 1HD HIS2028 -10.900 -5.141 -3.657 137 HD2 HIS2028 2HD HIS2028 -6.737 -4.665 -3.453 138 HE1 HIS2028 1HE HIS2028 -10.032 -5.395 -6.043 139 HE2 HIS2028 2HE HIS2028 -7.462 -5.094 -5.861 140 H GLU2029 H GLU2029 -9.159 -4.296 1.314 141 HA GLU2029 HA GLU2029 -10.927 -2.225 1.735 142 HB2 GLU2029 1HB GLU2029 -11.468 -3.905 3.156 143 HB3 GLU2029 2HB GLU2029 -9.795 -4.472 3.296 144 HG2 GLU2029 1HG GLU2029 -9.309 -2.983 5.042 145 HG3 GLU2029 2HG GLU2029 -10.613 -1.869 4.607 146 HE2 GLU2029 HE GLU2029 -11.417 -5.146 6.780 147 H GLY2030 H GLY2030 -7.527 -2.707 2.873 148 HA2 GLY2030 2HA GLY2030 -7.266 -0.559 4.567 149 HA3 GLY2030 3HA GLY2030 -5.986 -1.229 3.578 150 H LEU2031 H LEU2031 -6.265 -0.586 1.066 151 HA LEU2031 HA LEU2031 -5.851 2.157 0.939 152 HB2 LEU2031 1HB LEU2031 -5.409 0.012 -0.654 153 HB3 LEU2031 2HB LEU2031 -6.713 0.823 -1.538 154 HG LEU2031 HG LEU2031 -5.400 2.817 -1.766 155 HD11 LEU2031 1HD1 LEU2031 -3.743 1.583 0.365 156 HD12 LEU2031 2HD1 LEU2031 -2.885 2.520 -0.881 157 HD13 LEU2031 3HD1 LEU2031 -4.175 3.286 0.077 158 HD21 LEU2031 3HD2 LEU2031 -4.337 1.968 -3.518 159 HD22 LEU2031 1HD2 LEU2031 -3.159 1.140 -2.472 160 HD23 LEU2031 2HD2 LEU2031 -4.696 0.343 -2.889 161 H GLU2032 H GLU2032 -8.795 0.190 0.726 162 HA GLU2032 HA GLU2032 -10.413 1.955 -0.596 163 HB2 GLU2032 1HB GLU2032 -11.809 0.242 -0.242 164 HB3 GLU2032 2HB GLU2032 -10.700 -0.448 0.957 165 HG2 GLU2032 1HG GLU2032 -11.712 1.046 2.689 166 HG3 GLU2032 2HG GLU2032 -12.857 1.651 1.482 167 HE2 GLU2032 HE GLU2032 -14.728 -1.287 1.486 168 H GLU2033 H GLU2033 -9.625 1.736 2.930 169 HA GLU2033 HA GLU2033 -11.324 3.892 3.578 170 HB2 GLU2033 1HB GLU2033 -10.107 1.892 4.990 171 HB3 GLU2033 2HB GLU2033 -9.071 3.263 5.419 172 HG2 GLU2033 1HG GLU2033 -10.736 4.318 6.591 173 HG3 GLU2033 2HG GLU2033 -12.014 3.779 5.492 174 HE2 GLU2033 HE GLU2033 -12.064 2.055 8.800 175 H ALA2034 H ALA2034 -7.734 3.501 3.216 176 HA ALA2034 HA ALA2034 -7.041 6.107 3.840 177 HB1 ALA2034 3HB ALA2034 -5.799 4.014 2.019 178 HB2 ALA2034 1HB ALA2034 -5.002 5.556 2.418 179 HB3 ALA2034 2HB ALA2034 -5.375 4.385 3.707 180 H SER2035 H SER2035 -7.880 4.601 0.650 181 HA SER2035 HA SER2035 -7.444 6.847 -0.861 182 HB2 SER2035 1HB SER2035 -7.752 4.802 -2.000 183 HB3 SER2035 2HB SER2035 -9.281 4.454 -1.176 184 HG SER2035 HG SER2035 -10.330 5.996 -2.440 185 H ARG2036 H ARG2036 -10.368 5.737 0.940 186 HA ARG2036 HA ARG2036 -12.102 7.625 -0.035 187 HB2 ARG2036 1HB ARG2036 -12.420 5.536 1.567 188 HB3 ARG2036 2HB ARG2036 -12.239 6.735 2.862 189 HG2 ARG2036 1HG ARG2036 -14.064 7.641 0.751 190 HG3 ARG2036 2HG ARG2036 -14.601 6.110 1.468 191 HD2 ARG2036 1HD ARG2036 -13.661 8.156 3.410 192 HD3 ARG2036 2HD ARG2036 -15.127 8.603 2.524 193 HE ARG2036 HE ARG2036 -16.253 6.699 3.475 194 HH11 ARG2036 2HH2 ARG2036 -12.925 7.029 4.644 195 HH12 ARG2036 1HH2 ARG2036 -13.162 5.973 5.995 196 H LEU2037 H LEU2037 -9.618 7.770 2.535 197 HA LEU2037 HA LEU2037 -10.516 10.217 3.647 198 HB2 LEU2037 1HB LEU2037 -7.865 8.789 3.770 199 HB3 LEU2037 2HB LEU2037 -8.300 10.204 4.748 200 HG LEU2037 HG LEU2037 -10.166 7.914 4.914 201 HD11 LEU2037 1HD1 LEU2037 -7.302 7.505 5.257 202 HD12 LEU2037 2HD1 LEU2037 -8.222 7.147 6.739 203 HD13 LEU2037 3HD1 LEU2037 -8.636 6.326 5.215 204 HD21 LEU2037 3HD2 LEU2037 -10.628 9.686 6.363 205 HD22 LEU2037 1HD2 LEU2037 -9.826 8.480 7.397 206 HD23 LEU2037 2HD2 LEU2037 -8.919 9.895 6.812 207 H TYR2038 H TYR2038 -8.347 9.266 0.975 208 HA TYR2038 HA TYR2038 -7.377 11.954 0.635 209 HB2 TYR2038 1HB TYR2038 -6.107 9.807 0.154 210 HB3 TYR2038 2HB TYR2038 -7.313 9.382 -1.066 211 HD1 TYR2038 1HD TYR2038 -4.939 12.164 -0.210 212 HD2 TYR2038 2HD TYR2038 -6.844 9.882 -3.286 213 HE1 TYR2038 1HE TYR2038 -3.574 13.389 -1.973 214 HE2 TYR2038 2HE TYR2038 -5.475 11.115 -5.039 215 HH TYR2038 HH TYR2038 -4.242 13.760 -4.826 216 H PHE2039 H PHE2039 -9.410 9.650 -1.318 217 HA PHE2039 HA PHE2039 -10.130 11.692 -3.152 218 HB2 PHE2039 1HB PHE2039 -11.021 8.859 -2.429 219 HB3 PHE2039 2HB PHE2039 -11.882 9.762 -3.680 220 HD1 PHE2039 2HD PHE2039 -8.558 8.414 -2.742 221 HD2 PHE2039 1HD PHE2039 -11.036 9.860 -5.870 222 HE1 PHE2039 2HE PHE2039 -6.865 7.656 -4.433 223 HE2 PHE2039 1HE PHE2039 -9.342 9.102 -7.560 224 HZ PHE2039 HZ PHE2039 -7.277 8.008 -6.821 225 H GLY2040 H GLY2040 -11.810 10.007 -0.418 226 HA2 GLY2040 2HA GLY2040 -14.262 11.383 -0.722 227 HA3 GLY2040 3HA GLY2040 -13.709 10.499 0.687 228 H GLU2041 H GLU2041 -11.594 11.763 1.732 229 HA GLU2041 HA GLU2041 -12.588 14.478 2.108 230 HB2 GLU2041 1HB GLU2041 -11.860 12.374 3.961 231 HB3 GLU2041 2HB GLU2041 -10.839 13.794 4.245 232 HG2 GLU2041 1HG GLU2041 -13.018 15.166 4.187 233 HG3 GLU2041 2HG GLU2041 -13.880 13.624 4.278 234 HE2 GLU2041 HE GLU2041 -13.235 15.009 7.633 235 H ARG2042 H ARG2042 -10.525 15.805 3.247 236 HA ARG2042 HA ARG2042 -8.441 15.502 1.238 237 HB2 ARG2042 1HB ARG2042 -9.360 17.942 2.823 238 HB3 ARG2042 2HB ARG2042 -7.958 17.953 1.739 239 HG2 ARG2042 1HG ARG2042 -10.880 17.498 1.032 240 HG3 ARG2042 2HG ARG2042 -9.835 18.823 0.488 241 HD2 ARG2042 1HD ARG2042 -8.386 17.033 -0.639 242 HD3 ARG2042 2HD ARG2042 -9.681 15.877 -0.293 243 HE ARG2042 HE ARG2042 -11.037 17.904 -1.538 244 HH11 ARG2042 2HH2 ARG2042 -8.076 16.170 -2.422 245 HH12 ARG2042 1HH2 ARG2042 -8.318 16.371 -4.124 246 H ASN2043 H ASN2043 -8.665 14.020 3.836 247 HA ASN2043 HA ASN2043 -6.387 15.203 5.215 248 HB2 ASN2043 1HB ASN2043 -8.797 13.657 6.110 249 HB3 ASN2043 2HB ASN2043 -7.291 13.317 6.977 250 HD21 ASN2043 1HD2 ASN2043 -9.307 14.337 8.375 251 HD22 ASN2043 2HD2 ASN2043 -9.053 15.999 8.794 252 H VAL2044 H VAL2044 -4.675 14.189 4.028 253 HA VAL2044 HA VAL2044 -4.803 11.491 3.205 254 HB VAL2044 HB VAL2044 -2.663 13.592 3.400 255 HG11 VAL2044 1HG1 VAL2044 -2.304 10.662 3.086 256 HG12 VAL2044 2HG1 VAL2044 -1.433 11.687 1.920 257 HG13 VAL2044 3HG1 VAL2044 -1.171 11.905 3.668 258 HG21 VAL2044 3HG2 VAL2044 -3.083 13.969 1.220 259 HG22 VAL2044 1HG2 VAL2044 -3.227 12.236 0.844 260 HG23 VAL2044 2HG2 VAL2044 -4.614 13.115 1.533 261 H LYS2045 H LYS2045 -4.167 13.063 6.242 262 HA LYS2045 HA LYS2045 -2.330 11.406 7.415 263 HB2 LYS2045 1HB LYS2045 -3.691 11.969 9.542 264 HB3 LYS2045 2HB LYS2045 -2.910 13.281 8.644 265 HG2 LYS2045 1HG LYS2045 -5.669 12.583 7.770 266 HG3 LYS2045 2HG LYS2045 -5.551 13.275 9.396 267 HD2 LYS2045 1HD LYS2045 -3.883 14.702 7.445 268 HD3 LYS2045 2HD LYS2045 -5.591 14.691 6.970 269 HE2 LYS2045 1HE LYS2045 -6.262 15.822 8.927 270 HE3 LYS2045 2HE LYS2045 -4.798 15.378 9.816 271 HZ1 LYS2045 2HZ LYS2045 -3.749 16.809 7.840 272 HZ3 LYS2045 1HZ LYS2045 -4.250 17.502 9.225 273 H GLY2046 H GLY2046 -5.844 10.896 6.856 274 HA2 GLY2046 2HA GLY2046 -6.280 8.658 8.397 275 HA3 GLY2046 3HA GLY2046 -7.070 9.012 6.873 276 H MET2047 H MET2047 -5.141 8.790 4.941 277 HA MET2047 HA MET2047 -4.924 6.075 4.623 278 HB2 MET2047 1HB MET2047 -4.788 7.502 2.700 279 HB3 MET2047 2HB MET2047 -3.488 8.479 3.402 280 HG2 MET2047 1HG MET2047 -3.027 5.533 2.905 281 HG3 MET2047 2HG MET2047 -2.966 6.647 1.536 282 HE1 MET2047 3HE MET2047 -0.455 8.695 1.547 283 HE2 MET2047 1HE MET2047 -2.137 8.981 2.058 284 HE3 MET2047 2HE MET2047 -0.794 9.396 3.148 285 H PHE2048 H PHE2048 -2.356 8.471 5.568 286 HA PHE2048 HA PHE2048 -0.252 6.745 5.771 287 HB2 PHE2048 1HB PHE2048 -1.216 9.221 7.269 288 HB3 PHE2048 2HB PHE2048 0.313 8.472 7.743 289 HD1 PHE2048 1HD PHE2048 1.241 7.669 4.978 290 HD2 PHE2048 2HD PHE2048 -0.444 11.278 6.443 291 HE1 PHE2048 1HE PHE2048 2.413 8.951 3.166 292 HE2 PHE2048 2HE PHE2048 0.727 12.559 4.632 293 HZ PHE2048 HZ PHE2048 2.141 11.382 3.014 294 H GLU2049 H GLU2049 -2.764 7.521 8.264 295 HA GLU2049 HA GLU2049 -1.553 5.836 10.173 296 HB2 GLU2049 1HB GLU2049 -3.584 6.261 11.496 297 HB3 GLU2049 2HB GLU2049 -2.963 7.770 10.804 298 HG2 GLU2049 1HG GLU2049 -4.664 7.799 9.118 299 HG3 GLU2049 2HG GLU2049 -5.131 6.123 9.441 300 HE2 GLU2049 HE GLU2049 -7.367 7.035 11.849 301 H VAL2050 H VAL2050 -3.437 5.271 7.357 302 HA VAL2050 HA VAL2050 -4.674 2.865 8.390 303 HB VAL2050 HB VAL2050 -4.726 4.372 5.786 304 HG11 VAL2050 1HG1 VAL2050 -4.734 2.168 4.972 305 HG12 VAL2050 2HG1 VAL2050 -5.697 1.565 6.342 306 HG13 VAL2050 3HG1 VAL2050 -6.459 2.590 5.101 307 HG21 VAL2050 3HG2 VAL2050 -6.166 4.767 8.026 308 HG22 VAL2050 1HG2 VAL2050 -6.814 5.050 6.392 309 HG23 VAL2050 2HG2 VAL2050 -7.184 3.533 7.246 310 H LEU2051 H LEU2051 -2.061 3.898 6.128 311 HA LEU2051 HA LEU2051 -1.409 1.181 5.491 312 HB2 LEU2051 1HB LEU2051 0.424 3.461 4.959 313 HB3 LEU2051 2HB LEU2051 0.045 2.048 3.959 314 HG LEU2051 HG LEU2051 -1.390 4.665 4.226 315 HD11 LEU2051 1HD1 LEU2051 -1.010 2.986 1.753 316 HD12 LEU2051 2HD1 LEU2051 -1.259 4.743 1.897 317 HD13 LEU2051 3HD1 LEU2051 0.290 4.021 2.390 318 HD21 LEU2051 3HD2 LEU2051 -3.208 3.271 2.798 319 HD22 LEU2051 1HD2 LEU2051 -2.692 2.021 3.953 320 HD23 LEU2051 2HD2 LEU2051 -3.333 3.570 4.549 321 H GLU2052 H GLU2052 -0.238 3.758 7.697 322 HA GLU2052 HA GLU2052 2.137 2.818 8.443 323 HB2 GLU2052 1HB GLU2052 0.030 4.417 9.651 324 HB3 GLU2052 2HB GLU2052 0.898 3.501 10.894 325 HG2 GLU2052 1HG GLU2052 2.557 5.019 10.777 326 HG3 GLU2052 2HG GLU2052 2.880 4.509 9.113 327 HE2 GLU2052 HE GLU2052 0.781 7.844 9.838 328 HA PRO2053 HA PRO2053 0.119 -0.360 11.326 329 HB2 PRO2053 1HB PRO2053 -2.581 -0.762 11.248 330 HB3 PRO2053 2HB PRO2053 -1.797 0.294 12.420 331 HG2 PRO2053 1HG PRO2053 -3.319 0.966 9.985 332 HG3 PRO2053 2HG PRO2053 -2.950 2.013 11.402 333 HD2 PRO2053 1HD PRO2053 -1.757 2.053 8.799 334 HD3 PRO2053 2HD PRO2053 -1.248 2.994 10.208 335 H LEU2054 H LEU2054 -1.859 -0.223 8.407 336 HA LEU2054 HA LEU2054 -2.079 -2.907 7.973 337 HB2 LEU2054 1HB LEU2054 -1.904 -0.535 6.158 338 HB3 LEU2054 2HB LEU2054 -2.063 -2.170 5.493 339 HG LEU2054 HG LEU2054 -3.998 -0.851 7.419 340 HD11 LEU2054 1HD1 LEU2054 -5.519 -0.742 5.458 341 HD12 LEU2054 2HD1 LEU2054 -4.081 0.296 5.303 342 HD13 LEU2054 3HD1 LEU2054 -4.164 -1.246 4.419 343 HD21 LEU2054 3HD2 LEU2054 -5.019 -3.107 5.911 344 HD22 LEU2054 1HD2 LEU2054 -3.601 -3.565 6.886 345 HD23 LEU2054 2HD2 LEU2054 -5.014 -2.812 7.666 346 H HIS2055 H HIS2055 0.562 -0.721 6.770 347 HA HIS2055 HA HIS2055 2.046 -2.776 5.633 348 HB2 HIS2055 1HB HIS2055 2.775 -0.030 6.647 349 HB3 HIS2055 2HB HIS2055 3.947 -1.089 5.853 350 HD1 HIS2055 1HD HIS2055 2.704 1.750 4.813 351 HD2 HIS2055 2HD HIS2055 1.793 -2.106 3.437 352 HE1 HIS2055 1HE HIS2055 1.804 2.031 2.443 353 HE2 HIS2055 2HE HIS2055 1.253 -0.374 1.642 354 H ALA2056 H ALA2056 2.345 -1.149 8.865 355 HA ALA2056 HA ALA2056 4.485 -2.570 9.814 356 HB1 ALA2056 3HB ALA2056 3.586 -0.665 10.989 357 HB2 ALA2056 1HB ALA2056 2.017 -1.474 11.214 358 HB3 ALA2056 2HB ALA2056 3.456 -2.071 12.074 359 H MET2057 H MET2057 0.960 -3.410 9.984 360 HA MET2057 HA MET2057 1.184 -5.690 11.434 361 HB2 MET2057 1HB MET2057 -1.049 -5.617 10.986 362 HB3 MET2057 2HB MET2057 -0.753 -4.374 9.757 363 HG2 MET2057 1HG MET2057 -0.382 -6.119 8.057 364 HG3 MET2057 2HG MET2057 -0.551 -7.386 9.275 365 HE1 MET2057 3HE MET2057 -3.754 -7.209 6.810 366 HE2 MET2057 1HE MET2057 -2.400 -6.135 6.386 367 HE3 MET2057 2HE MET2057 -2.077 -7.800 6.926 368 H MET2058 H MET2058 1.798 -5.179 7.933 369 HA MET2058 HA MET2058 1.998 -7.916 7.343 370 HB2 MET2058 1HB MET2058 3.063 -5.389 5.989 371 HB3 MET2058 2HB MET2058 3.139 -6.990 5.232 372 HG2 MET2058 1HG MET2058 0.449 -6.559 6.170 373 HG3 MET2058 2HG MET2058 0.943 -5.119 5.273 374 HE1 MET2058 3HE MET2058 -0.922 -8.563 3.680 375 HE2 MET2058 1HE MET2058 -1.066 -7.535 5.124 376 HE3 MET2058 2HE MET2058 -1.422 -6.862 3.516 377 H GLU2059 H GLU2059 4.230 -5.473 8.621 378 HA GLU2059 HA GLU2059 6.543 -7.002 8.016 379 HB2 GLU2059 1HB GLU2059 6.353 -4.778 10.066 380 HB3 GLU2059 2HB GLU2059 7.763 -5.256 9.105 381 HG2 GLU2059 1HG GLU2059 5.327 -3.676 8.305 382 HG3 GLU2059 2HG GLU2059 7.030 -3.352 7.950 383 HE2 GLU2059 HE GLU2059 5.019 -4.861 5.124 384 H ARG2060 H ARG2060 5.004 -5.994 11.164 385 HA ARG2060 HA ARG2060 6.466 -7.935 12.569 386 HB2 ARG2060 1HB ARG2060 5.067 -7.249 14.497 387 HB3 ARG2060 2HB ARG2060 5.659 -5.828 13.618 388 HG2 ARG2060 1HG ARG2060 3.457 -5.786 12.376 389 HG3 ARG2060 2HG ARG2060 2.881 -7.080 13.440 390 HD2 ARG2060 1HD ARG2060 4.055 -4.907 14.989 391 HD3 ARG2060 2HD ARG2060 2.788 -4.285 13.921 392 HE ARG2060 HE ARG2060 2.053 -6.722 15.385 393 HH11 ARG2060 2HH2 ARG2060 2.081 -3.180 15.462 394 HH12 ARG2060 1HH2 ARG2060 0.804 -3.070 16.628 395 H GLY2061 H GLY2061 3.481 -7.921 10.746 396 HA2 GLY2061 2HA GLY2061 2.696 -10.511 11.943 397 HA3 GLY2061 3HA GLY2061 1.583 -9.349 11.247 398 HA PRO2062 HA PRO2062 4.006 -11.447 7.725 399 HB2 PRO2062 1HB PRO2062 5.356 -13.750 8.301 400 HB3 PRO2062 2HB PRO2062 6.136 -12.175 8.205 401 HG2 PRO2062 1HG PRO2062 5.378 -13.777 10.564 402 HG3 PRO2062 2HG PRO2062 6.581 -12.439 10.453 403 HD2 PRO2062 1HD PRO2062 3.949 -12.379 11.579 404 HD3 PRO2062 2HD PRO2062 5.028 -10.999 11.348 405 H GLN2063 H GLN2063 4.111 -14.093 6.858 406 HA GLN2063 HA GLN2063 1.582 -15.156 7.746 407 HB2 GLN2063 1HB GLN2063 1.095 -13.610 5.827 408 HB3 GLN2063 2HB GLN2063 2.127 -14.616 4.794 409 HG2 GLN2063 1HG GLN2063 0.078 -15.586 4.350 410 HG3 GLN2063 2HG GLN2063 0.539 -16.564 5.752 411 HE21 GLN2063 1HE2 GLN2063 -1.766 -16.908 5.917 412 HE22 GLN2063 2HE2 GLN2063 -2.763 -15.767 6.755 413 H THR2064 H THR2064 3.824 -15.652 4.921 414 HA THR2064 HA THR2064 4.971 -17.989 6.085 415 HB THR2064 HB THR2064 2.744 -18.907 5.470 416 HG1 THR2064 1HG THR2064 4.510 -20.322 5.077 417 HG21 THR2064 3HG2 THR2064 3.483 -18.175 2.594 418 HG22 THR2064 1HG2 THR2064 1.980 -18.941 3.161 419 HG23 THR2064 2HG2 THR2064 2.313 -17.239 3.556 420 H LEU2065 H LEU2065 6.262 -19.210 4.219 421 HA LEU2065 HA LEU2065 8.121 -17.387 3.303 422 HB2 LEU2065 1HB LEU2065 7.669 -20.196 3.260 423 HB3 LEU2065 2HB LEU2065 8.182 -19.684 1.642 424 HG LEU2065 HG LEU2065 10.015 -20.446 3.171 425 HD11 LEU2065 1HD1 LEU2065 9.934 -18.233 1.404 426 HD12 LEU2065 2HD1 LEU2065 10.985 -17.780 2.766 427 HD13 LEU2065 3HD1 LEU2065 11.324 -19.258 1.835 428 HD21 LEU2065 3HD2 LEU2065 10.561 -18.192 4.697 429 HD22 LEU2065 1HD2 LEU2065 8.813 -18.442 4.906 430 HD23 LEU2065 2HD2 LEU2065 9.950 -19.756 5.285 431 H LYS2066 H LYS2066 5.193 -18.751 1.732 432 HA LYS2066 HA LYS2066 5.716 -17.784 -0.828 433 HB2 LYS2066 1HB LYS2066 3.256 -18.611 0.676 434 HB3 LYS2066 2HB LYS2066 3.111 -17.905 -0.945 435 HG2 LYS2066 1HG LYS2066 3.415 -20.044 -1.651 436 HG3 LYS2066 2HG LYS2066 5.131 -19.746 -1.327 437 HD2 LYS2066 1HD LYS2066 5.024 -20.825 0.791 438 HD3 LYS2066 2HD LYS2066 3.252 -20.767 0.837 439 HE2 LYS2066 1HE LYS2066 3.752 -22.183 -1.496 440 HE3 LYS2066 2HE LYS2066 5.064 -22.736 -0.443 441 HZ1 LYS2066 2HZ LYS2066 3.427 -23.376 1.197 442 HZ3 LYS2066 1HZ LYS2066 2.977 -24.043 -0.218 443 H GLU2067 H GLU2067 3.668 -16.363 1.819 444 HA GLU2067 HA GLU2067 3.212 -14.005 0.425 445 HB2 GLU2067 1HB GLU2067 2.328 -15.166 2.783 446 HB3 GLU2067 2HB GLU2067 3.208 -13.743 3.365 447 HG2 GLU2067 1HG GLU2067 0.904 -13.107 2.983 448 HG3 GLU2067 2HG GLU2067 1.883 -12.346 1.721 449 HE2 GLU2067 HE GLU2067 -0.396 -13.660 -0.484 450 H THR2068 H THR2068 5.874 -15.123 2.499 451 HA THR2068 HA THR2068 7.000 -12.687 3.192 452 HB THR2068 HB THR2068 8.218 -15.430 2.583 453 HG1 THR2068 1HG THR2068 7.490 -13.932 5.001 454 HG21 THR2068 3HG2 THR2068 9.350 -13.204 4.346 455 HG22 THR2068 1HG2 THR2068 10.127 -14.748 3.917 456 HG23 THR2068 2HG2 THR2068 9.915 -13.484 2.681 457 H SER2069 H SER2069 7.010 -14.429 0.093 458 HA SER2069 HA SER2069 9.105 -12.866 -0.970 459 HB2 SER2069 1HB SER2069 7.438 -15.087 -1.783 460 HB3 SER2069 2HB SER2069 7.501 -13.893 -3.091 461 HG SER2069 HG SER2069 9.990 -14.024 -2.350 462 H PHE2070 H PHE2070 5.499 -12.791 -1.055 463 HA PHE2070 HA PHE2070 5.258 -10.749 -2.938 464 HB2 PHE2070 1HB PHE2070 3.366 -12.132 -2.297 465 HB3 PHE2070 2HB PHE2070 3.625 -11.818 -0.578 466 HD1 PHE2070 1HD PHE2070 2.643 -10.153 -3.757 467 HD2 PHE2070 2HD PHE2070 2.413 -10.132 0.480 468 HE1 PHE2070 1HE PHE2070 0.953 -8.300 -3.860 469 HE2 PHE2070 2HE PHE2070 0.724 -8.278 0.379 470 HZ PHE2070 HZ PHE2070 0.013 -7.384 -1.790 471 H ASN2071 H ASN2071 5.198 -10.645 0.697 472 HA ASN2071 HA ASN2071 4.869 -7.924 0.870 473 HB2 ASN2071 1HB ASN2071 4.838 -9.837 2.689 474 HB3 ASN2071 2HB ASN2071 6.560 -9.469 2.871 475 HD21 ASN2071 1HD2 ASN2071 6.877 -8.273 4.574 476 HD22 ASN2071 2HD2 ASN2071 5.937 -6.914 5.097 477 H GLN2072 H GLN2072 7.704 -9.985 0.250 478 HA GLN2072 HA GLN2072 9.592 -7.953 0.850 479 HB2 GLN2072 1HB GLN2072 9.626 -10.759 -0.141 480 HB3 GLN2072 2HB GLN2072 11.003 -9.758 -0.636 481 HG2 GLN2072 1HG GLN2072 10.076 -9.806 2.247 482 HG3 GLN2072 2HG GLN2072 11.123 -11.094 1.629 483 HE21 GLN2072 1HE2 GLN2072 10.799 -7.725 2.428 484 HE22 GLN2072 2HE2 GLN2072 12.473 -7.284 2.360 485 H ALA2073 H ALA2073 8.386 -9.532 -2.194 486 HA ALA2073 HA ALA2073 9.834 -8.041 -3.988 487 HB1 ALA2073 3HB ALA2073 8.654 -9.899 -4.819 488 HB2 ALA2073 1HB ALA2073 7.128 -9.391 -4.056 489 HB3 ALA2073 2HB ALA2073 7.747 -8.516 -5.476 490 H TYR2074 H TYR2074 6.946 -7.194 -2.077 491 HA TYR2074 HA TYR2074 6.624 -4.714 -3.556 492 HB2 TYR2074 1HB TYR2074 5.276 -6.252 -1.280 493 HB3 TYR2074 2HB TYR2074 4.795 -4.586 -1.613 494 HD1 TYR2074 2HD TYR2074 5.717 -7.187 -4.118 495 HD2 TYR2074 1HD TYR2074 2.565 -4.905 -2.342 496 HE1 TYR2074 2HE TYR2074 4.101 -8.024 -5.894 497 HE2 TYR2074 1HE TYR2074 0.959 -5.749 -4.125 498 HH TYR2074 HH TYR2074 1.960 -8.210 -6.430 499 H GLY2075 H GLY2075 7.939 -5.967 -0.493 500 HA2 GLY2075 2HA GLY2075 7.985 -3.851 1.175 501 HA3 GLY2075 3HA GLY2075 9.331 -4.955 0.976 502 H ARG2076 H ARG2076 9.681 -4.143 -1.945 503 HA ARG2076 HA ARG2076 11.507 -2.084 -1.415 504 HB2 ARG2076 1HB ARG2076 11.098 -3.985 -3.428 505 HB3 ARG2076 2HB ARG2076 10.802 -2.451 -4.263 506 HG2 ARG2076 1HG ARG2076 13.131 -2.237 -2.537 507 HG3 ARG2076 2HG ARG2076 13.311 -3.627 -3.623 508 HD2 ARG2076 1HD ARG2076 12.326 -1.702 -5.335 509 HD3 ARG2076 2HD ARG2076 13.293 -0.713 -4.230 510 HE ARG2076 HE ARG2076 14.617 -3.148 -5.238 511 HH11 ARG2076 2HH2 ARG2076 14.106 0.328 -5.701 512 HH12 ARG2076 1HH2 ARG2076 15.530 0.535 -6.663 513 H ASP2077 H ASP2077 8.300 -2.297 -3.075 514 HA ASP2077 HA ASP2077 8.299 0.331 -3.977 515 HB2 ASP2077 1HB ASP2077 6.010 -1.552 -3.268 516 HB3 ASP2077 2HB ASP2077 5.793 -0.030 -4.147 517 HD2 ASP2077 HD ASP2077 7.309 -1.354 -7.055 518 H LEU2078 H LEU2078 6.662 -1.306 -1.157 519 HA LEU2078 HA LEU2078 5.493 0.918 -0.047 520 HB2 LEU2078 1HB LEU2078 6.546 -1.635 1.130 521 HB3 LEU2078 2HB LEU2078 5.709 -0.420 2.112 522 HG LEU2078 HG LEU2078 3.686 -0.710 0.843 523 HD11 LEU2078 1HD1 LEU2078 4.650 -1.004 -1.377 524 HD12 LEU2078 2HD1 LEU2078 5.238 -2.621 -0.924 525 HD13 LEU2078 3HD1 LEU2078 3.488 -2.302 -1.010 526 HD21 LEU2078 3HD2 LEU2078 4.300 -3.571 1.127 527 HD22 LEU2078 1HD2 LEU2078 4.731 -2.580 2.541 528 HD23 LEU2078 2HD2 LEU2078 3.061 -2.571 1.923 529 H MET2079 H MET2079 8.838 -0.368 0.349 530 HA MET2079 HA MET2079 9.623 1.324 2.351 531 HB2 MET2079 1HB MET2079 10.957 -0.589 1.551 532 HB3 MET2079 2HB MET2079 11.178 0.176 -0.033 533 HG2 MET2079 1HG MET2079 12.792 1.629 0.757 534 HG3 MET2079 2HG MET2079 12.052 1.765 2.355 535 HE1 MET2079 3HE MET2079 11.668 -0.213 3.733 536 HE2 MET2079 1HE MET2079 12.090 -1.833 3.128 537 HE3 MET2079 2HE MET2079 13.108 -1.048 4.359 538 H GLU2080 H GLU2080 9.851 1.777 -1.244 539 HA GLU2080 HA GLU2080 11.051 4.285 -1.049 540 HB2 GLU2080 1HB GLU2080 11.174 2.927 -3.075 541 HB3 GLU2080 2HB GLU2080 9.419 3.022 -3.296 542 HG2 GLU2080 1HG GLU2080 9.503 5.194 -4.060 543 HG3 GLU2080 2HG GLU2080 10.895 5.621 -3.055 544 HE2 GLU2080 HE GLU2080 12.927 5.324 -5.773 545 H ALA2081 H ALA2081 7.612 3.244 -1.547 546 HA ALA2081 HA ALA2081 6.515 5.768 -1.824 547 HB1 ALA2081 3HB ALA2081 4.976 4.153 -2.317 548 HB2 ALA2081 1HB ALA2081 5.601 3.030 -1.086 549 HB3 ALA2081 2HB ALA2081 4.527 4.366 -0.609 550 H GLN2082 H GLN2082 7.328 3.847 1.117 551 HA GLN2082 HA GLN2082 6.106 5.553 2.917 552 HB2 GLN2082 1HB GLN2082 6.895 3.251 3.418 553 HB3 GLN2082 2HB GLN2082 8.574 3.810 3.336 554 HG2 GLN2082 1HG GLN2082 7.126 5.565 5.092 555 HG3 GLN2082 2HG GLN2082 6.747 3.903 5.564 556 HE21 GLN2082 1HE2 GLN2082 8.135 2.836 6.769 557 HE22 GLN2082 2HE2 GLN2082 9.775 3.279 7.104 558 H GLU2083 H GLU2083 9.318 5.616 1.334 559 HA GLU2083 HA GLU2083 10.427 7.553 2.996 560 HB2 GLU2083 1HB GLU2083 12.217 7.008 1.769 561 HB3 GLU2083 2HB GLU2083 11.190 6.051 0.689 562 HG2 GLU2083 1HG GLU2083 10.691 8.143 -0.603 563 HG3 GLU2083 2HG GLU2083 11.817 9.031 0.436 564 HE2 GLU2083 HE GLU2083 13.152 6.687 -2.482 565 H TRP2084 H TRP2084 8.379 7.709 0.059 566 HA TRP2084 HA TRP2084 8.713 10.522 -0.274 567 HB2 TRP2084 1HB TRP2084 6.718 8.560 -1.405 568 HB3 TRP2084 2HB TRP2084 6.828 10.258 -1.874 569 HD1 TRP2084 HD TRP2084 8.324 6.897 -2.663 570 HE1 TRP2084 1HE TRP2084 10.257 7.041 -4.452 571 HE3 TRP2084 3HE TRP2084 8.795 11.958 -2.515 572 HZ2 TRP2084 2HZ TRP2084 11.734 9.207 -5.581 573 HZ3 TRP2084 3HZ TRP2084 10.507 13.008 -3.993 574 HH2 TRP2084 HH TRP2084 11.947 11.718 -5.488 575 H CYS2085 H CYS2085 6.783 8.350 1.710 576 HA CYS2085 HA CYS2085 4.606 10.055 2.150 577 HB2 CYS2085 1HB CYS2085 4.069 7.960 2.811 578 HB3 CYS2085 2HB CYS2085 5.697 7.586 3.407 579 HG CYS2085 HG CYS2085 3.881 9.948 4.788 580 H ARG2086 H ARG2086 7.532 9.275 4.183 581 HA ARG2086 HA ARG2086 7.020 11.238 6.050 582 HB2 ARG2086 1HB ARG2086 9.254 10.804 6.861 583 HB3 ARG2086 2HB ARG2086 8.636 9.262 6.243 584 HG2 ARG2086 1HG ARG2086 9.815 10.426 4.005 585 HG3 ARG2086 2HG ARG2086 10.910 10.899 5.315 586 HD2 ARG2086 1HD ARG2086 9.952 8.048 4.813 587 HD3 ARG2086 2HD ARG2086 11.490 8.687 4.215 588 HE ARG2086 HE ARG2086 10.863 7.887 6.949 589 HH11 ARG2086 2HH2 ARG2086 12.928 10.002 4.996 590 HH12 ARG2086 1HH2 ARG2086 14.170 10.108 6.201 591 H LYS2087 H LYS2087 8.513 11.321 2.841 592 HA LYS2087 HA LYS2087 10.008 13.665 3.122 593 HB2 LYS2087 1HB LYS2087 9.219 11.834 1.042 594 HB3 LYS2087 2HB LYS2087 9.110 13.505 0.459 595 HG2 LYS2087 1HG LYS2087 11.394 13.922 0.888 596 HG3 LYS2087 2HG LYS2087 11.543 12.555 2.005 597 HD2 LYS2087 1HD LYS2087 11.807 11.027 0.304 598 HD3 LYS2087 2HD LYS2087 10.757 11.913 -0.815 599 HE2 LYS2087 1HE LYS2087 12.533 12.941 -1.757 600 HE3 LYS2087 2HE LYS2087 13.146 13.472 -0.183 601 HZ1 LYS2087 2HZ LYS2087 14.067 11.335 -1.802 602 HZ3 LYS2087 1HZ LYS2087 13.637 10.747 -0.348 603 H TYR2088 H TYR2088 6.612 13.094 1.984 604 HA TYR2088 HA TYR2088 6.103 15.861 1.630 605 HB2 TYR2088 1HB TYR2088 4.701 14.363 0.426 606 HB3 TYR2088 2HB TYR2088 4.661 13.192 1.748 607 HD1 TYR2088 1HD TYR2088 3.177 13.661 3.747 608 HD2 TYR2088 2HD TYR2088 2.993 15.978 0.154 609 HE1 TYR2088 1HE TYR2088 0.881 14.528 4.413 610 HE2 TYR2088 2HE TYR2088 0.698 16.836 0.833 611 HH TYR2088 HH TYR2088 -0.426 16.999 3.567 612 H MET2089 H MET2089 5.466 13.472 4.263 613 HA MET2089 HA MET2089 3.842 15.051 5.794 614 HB2 MET2089 1HB MET2089 5.873 12.867 6.375 615 HB3 MET2089 2HB MET2089 5.004 13.626 7.719 616 HG2 MET2089 1HG MET2089 2.908 13.092 6.075 617 HG3 MET2089 2HG MET2089 3.995 11.798 5.563 618 HE1 MET2089 3HE MET2089 1.272 12.390 6.994 619 HE2 MET2089 1HE MET2089 1.059 10.874 7.902 620 HE3 MET2089 2HE MET2089 1.311 12.405 8.773 621 H LYS2090 H LYS2090 7.406 15.041 5.464 622 HA LYS2090 HA LYS2090 7.617 17.028 7.584 623 HB2 LYS2090 1HB LYS2090 9.252 14.915 6.644 624 HB3 LYS2090 2HB LYS2090 10.125 16.425 6.334 625 HG2 LYS2090 1HG LYS2090 8.792 15.820 8.996 626 HG3 LYS2090 2HG LYS2090 10.458 15.321 8.651 627 HD2 LYS2090 1HD LYS2090 11.192 17.392 9.140 628 HD3 LYS2090 2HD LYS2090 10.140 18.096 7.899 629 HE2 LYS2090 1HE LYS2090 9.047 19.089 9.616 630 HE3 LYS2090 2HE LYS2090 8.369 17.494 9.977 631 HZ1 LYS2090 2HZ LYS2090 9.877 18.923 11.690 632 HZ3 LYS2090 1HZ LYS2090 11.018 17.954 11.050 633 H SER2091 H SER2091 8.621 16.581 4.119 634 HA SER2091 HA SER2091 9.343 19.238 3.800 635 HB2 SER2091 1HB SER2091 9.850 17.156 2.338 636 HB3 SER2091 2HB SER2091 8.297 17.489 1.550 637 HG SER2091 HG SER2091 10.507 19.350 1.786 638 H GLY2092 H GLY2092 6.403 17.488 2.535 639 HA2 GLY2092 2HA GLY2092 4.217 18.280 2.753 640 HA3 GLY2092 3HA GLY2092 4.815 19.902 3.042 641 H ASN2093 H ASN2093 4.339 17.371 0.537 642 HA ASN2093 HA ASN2093 3.737 19.400 -1.346 643 HB2 ASN2093 1HB ASN2093 6.429 18.531 -1.231 644 HB3 ASN2093 2HB ASN2093 5.739 17.654 -2.605 645 HD21 ASN2093 1HD2 ASN2093 6.723 18.731 -4.214 646 HD22 ASN2093 2HD2 ASN2093 6.478 20.404 -4.593 647 H VAL2094 H VAL2094 1.890 18.459 -2.230 648 HA VAL2094 HA VAL2094 1.196 15.816 -1.969 649 HB VAL2094 HB VAL2094 0.370 18.069 -3.757 650 HG11 VAL2094 1HG1 VAL2094 -0.242 15.178 -4.170 651 HG12 VAL2094 2HG1 VAL2094 -1.589 16.328 -4.327 652 HG13 VAL2094 3HG1 VAL2094 -0.140 16.510 -5.345 653 HG21 VAL2094 3HG2 VAL2094 -1.002 16.446 -1.588 654 HG22 VAL2094 1HG2 VAL2094 -0.423 18.128 -1.479 655 HG23 VAL2094 2HG2 VAL2094 -1.791 17.724 -2.544 656 H LYS2095 H LYS2095 3.342 17.396 -4.295 657 HA LYS2095 HA LYS2095 3.277 15.595 -6.367 658 HB2 LYS2095 1HB LYS2095 4.467 17.790 -6.261 659 HB3 LYS2095 2HB LYS2095 5.744 17.005 -5.315 660 HG2 LYS2095 1HG LYS2095 5.554 15.256 -7.388 661 HG3 LYS2095 2HG LYS2095 5.063 16.742 -8.218 662 HD2 LYS2095 1HD LYS2095 7.271 17.172 -8.443 663 HD3 LYS2095 2HD LYS2095 7.281 17.540 -6.710 664 HE2 LYS2095 1HE LYS2095 8.815 15.874 -6.552 665 HE3 LYS2095 2HE LYS2095 7.452 14.762 -6.742 666 HZ1 LYS2095 2HZ LYS2095 7.922 15.191 -9.263 667 HZ3 LYS2095 1HZ LYS2095 8.858 14.130 -8.456 668 H ASP2096 H ASP2096 5.344 15.514 -3.382 669 HA ASP2096 HA ASP2096 6.528 13.095 -4.048 670 HB2 ASP2096 1HB ASP2096 6.079 14.587 -1.445 671 HB3 ASP2096 2HB ASP2096 6.909 13.023 -1.456 672 HD2 ASP2096 HD ASP2096 9.448 15.546 -1.550 673 H LEU2097 H LEU2097 3.522 14.042 -2.342 674 HA LEU2097 HA LEU2097 2.979 11.539 -1.178 675 HB2 LEU2097 1HB LEU2097 2.016 14.011 -0.896 676 HB3 LEU2097 2HB LEU2097 0.751 13.339 -1.940 677 HG LEU2097 HG LEU2097 1.588 12.458 0.824 678 HD11 LEU2097 1HD1 LEU2097 -0.322 14.266 -0.042 679 HD12 LEU2097 2HD1 LEU2097 -1.255 12.779 0.250 680 HD13 LEU2097 3HD1 LEU2097 -0.259 13.473 1.550 681 HD21 LEU2097 3HD2 LEU2097 1.191 10.348 0.216 682 HD22 LEU2097 1HD2 LEU2097 -0.523 10.822 0.153 683 HD23 LEU2097 2HD2 LEU2097 0.459 10.832 -1.332 684 H THR2098 H THR2098 2.084 13.071 -4.321 685 HA THR2098 HA THR2098 0.379 11.028 -5.183 686 HB THR2098 HB THR2098 2.090 13.146 -6.566 687 HG1 THR2098 1HG THR2098 0.110 14.206 -6.369 688 HG21 THR2098 3HG2 THR2098 0.422 12.717 -8.499 689 HG22 THR2098 1HG2 THR2098 1.726 11.518 -8.324 690 HG23 THR2098 2HG2 THR2098 0.089 11.148 -7.727 691 H GLN2099 H GLN2099 3.916 11.529 -5.793 692 HA GLN2099 HA GLN2099 4.267 9.341 -7.371 693 HB2 GLN2099 1HB GLN2099 5.888 11.236 -6.001 694 HB3 GLN2099 2HB GLN2099 6.557 9.638 -5.623 695 HG2 GLN2099 1HG GLN2099 5.805 10.349 -8.465 696 HG3 GLN2099 2HG GLN2099 7.343 10.917 -7.799 697 HE21 GLN2099 1HE2 GLN2099 6.958 9.123 -9.976 698 HE22 GLN2099 2HE2 GLN2099 7.665 7.596 -9.569 699 H ALA2100 H ALA2100 4.456 9.574 -3.758 700 HA ALA2100 HA ALA2100 5.183 6.937 -3.292 701 HB1 ALA2100 3HB ALA2100 4.755 9.189 -1.794 702 HB2 ALA2100 1HB ALA2100 3.339 8.207 -1.345 703 HB3 ALA2100 2HB ALA2100 4.979 7.559 -1.113 704 H TRP2101 H TRP2101 1.918 8.487 -3.550 705 HA TRP2101 HA TRP2101 0.447 6.190 -2.997 706 HB2 TRP2101 1HB TRP2101 -0.018 8.876 -3.881 707 HB3 TRP2101 2HB TRP2101 -0.999 7.764 -4.843 708 HD1 TRP2101 HD TRP2101 -0.788 9.291 -1.374 709 HE1 TRP2101 1HE TRP2101 -2.803 8.554 0.160 710 HE3 TRP2101 3HE TRP2101 -2.524 5.671 -4.493 711 HZ2 TRP2101 2HZ TRP2101 -4.851 6.583 -0.096 712 HZ3 TRP2101 3HZ TRP2101 -4.535 4.386 -3.777 713 HH2 TRP2101 HH TRP2101 -5.691 4.793 -1.660 714 H ASP2102 H ASP2102 2.113 7.391 -5.918 715 HA ASP2102 HA ASP2102 0.845 5.826 -7.781 716 HB2 ASP2102 1HB ASP2102 2.958 7.622 -7.731 717 HB3 ASP2102 2HB ASP2102 3.776 6.112 -8.160 718 HD2 ASP2102 HD ASP2102 3.049 7.213 -11.353 719 H LEU2103 H LEU2103 3.880 5.258 -5.846 720 HA LEU2103 HA LEU2103 4.482 2.754 -6.856 721 HB2 LEU2103 1HB LEU2103 5.066 4.190 -4.297 722 HB3 LEU2103 2HB LEU2103 5.593 2.514 -4.525 723 HG LEU2103 HG LEU2103 6.656 3.457 -6.728 724 HD11 LEU2103 1HD1 LEU2103 5.673 5.663 -6.674 725 HD12 LEU2103 2HD1 LEU2103 6.372 5.976 -5.067 726 HD13 LEU2103 3HD1 LEU2103 7.438 5.794 -6.482 727 HD21 LEU2103 3HD2 LEU2103 8.741 3.872 -5.550 728 HD22 LEU2103 1HD2 LEU2103 7.862 4.072 -4.015 729 HD23 LEU2103 2HD2 LEU2103 7.885 2.488 -4.828 730 H TYR2104 H TYR2104 2.549 3.654 -3.917 731 HA TYR2104 HA TYR2104 1.917 1.068 -3.157 732 HB2 TYR2104 1HB TYR2104 0.636 3.840 -3.020 733 HB3 TYR2104 2HB TYR2104 -0.199 2.467 -2.286 734 HD1 TYR2104 2HD TYR2104 2.203 0.989 -1.203 735 HD2 TYR2104 1HD TYR2104 1.177 5.142 -1.134 736 HE1 TYR2104 2HE TYR2104 3.585 1.304 0.909 737 HE2 TYR2104 1HE TYR2104 2.562 5.442 0.977 738 HH TYR2104 HH TYR2104 4.561 4.250 2.000 739 H TYR2105 H TYR2105 0.191 3.330 -5.397 740 HA TYR2105 HA TYR2105 -2.081 1.881 -5.832 741 HB2 TYR2105 1HB TYR2105 -1.267 4.175 -6.716 742 HB3 TYR2105 2HB TYR2105 -0.294 3.299 -7.902 743 HD1 TYR2105 2HD TYR2105 -3.197 1.417 -7.473 744 HD2 TYR2105 1HD TYR2105 -1.847 5.070 -9.245 745 HE1 TYR2105 2HE TYR2105 -5.182 1.389 -9.061 746 HE2 TYR2105 1HE TYR2105 -3.838 5.029 -10.826 747 HH TYR2105 HH TYR2105 -5.669 2.323 -11.347 748 H HIS2106 H HIS2106 1.141 1.507 -7.446 749 HA HIS2106 HA HIS2106 0.278 -0.463 -9.228 750 HB2 HIS2106 1HB HIS2106 2.344 0.955 -9.373 751 HB3 HIS2106 2HB HIS2106 3.076 -0.073 -8.135 752 HD1 HIS2106 1HD HIS2106 4.817 -0.401 -10.280 753 HD2 HIS2106 2HD HIS2106 1.072 -2.276 -10.498 754 HE1 HIS2106 1HE HIS2106 5.031 -2.218 -12.057 755 HE2 HIS2106 2HE HIS2106 2.696 -3.343 -12.157 756 H VAL2107 H VAL2107 1.659 -0.588 -5.903 757 HA VAL2107 HA VAL2107 1.983 -3.355 -5.793 758 HB VAL2107 HB VAL2107 1.772 -1.091 -3.878 759 HG11 VAL2107 1HG1 VAL2107 1.084 -3.913 -3.203 760 HG12 VAL2107 2HG1 VAL2107 2.151 -3.040 -2.077 761 HG13 VAL2107 3HG1 VAL2107 0.539 -2.390 -2.462 762 HG21 VAL2107 3HG2 VAL2107 3.799 -3.249 -3.615 763 HG22 VAL2107 1HG2 VAL2107 3.851 -2.290 -5.115 764 HG23 VAL2107 2HG2 VAL2107 3.983 -1.480 -3.536 765 H PHE2108 H PHE2108 -0.752 -1.260 -4.626 766 HA PHE2108 HA PHE2108 -2.359 -3.481 -3.962 767 HB2 PHE2108 1HB PHE2108 -2.753 -0.497 -4.522 768 HB3 PHE2108 2HB PHE2108 -4.130 -1.516 -4.082 769 HD1 PHE2108 2HD PHE2108 -0.661 -0.823 -2.865 770 HD2 PHE2108 1HD PHE2108 -4.729 -1.502 -1.864 771 HE1 PHE2108 2HE PHE2108 -0.122 -0.476 -0.440 772 HE2 PHE2108 1HE PHE2108 -4.189 -1.155 0.563 773 HZ PHE2108 HZ PHE2108 -1.892 -0.646 1.246 774 H ARG2109 H ARG2109 -1.737 -1.683 -6.948 775 HA ARG2109 HA ARG2109 -4.132 -2.524 -8.188 776 HB2 ARG2109 1HB ARG2109 -3.125 -0.506 -9.004 777 HB3 ARG2109 2HB ARG2109 -1.542 -1.276 -9.206 778 HG2 ARG2109 1HG ARG2109 -2.515 -2.726 -10.990 779 HG3 ARG2109 2HG ARG2109 -4.068 -1.891 -10.811 780 HD2 ARG2109 1HD ARG2109 -1.558 -0.291 -11.330 781 HD3 ARG2109 2HD ARG2109 -2.337 -1.130 -12.680 782 HE ARG2109 HE ARG2109 -3.356 1.204 -11.215 783 HH11 ARG2109 2HH2 ARG2109 -4.209 -1.496 -13.345 784 HH12 ARG2109 1HH2 ARG2109 -5.653 -0.740 -13.932 785 H ARG2110 H ARG2110 -0.913 -3.848 -7.662 786 HA ARG2110 HA ARG2110 -1.021 -5.624 -9.862 787 HB2 ARG2110 1HB ARG2110 0.897 -4.786 -7.895 788 HB3 ARG2110 2HB ARG2110 0.798 -6.555 -7.812 789 HG2 ARG2110 1HG ARG2110 1.287 -4.888 -10.316 790 HG3 ARG2110 2HG ARG2110 2.514 -5.827 -9.446 791 HD2 ARG2110 1HD ARG2110 0.154 -7.434 -10.142 792 HD3 ARG2110 2HD ARG2110 0.915 -6.729 -11.576 793 HE ARG2110 HE ARG2110 3.083 -7.712 -10.274 794 HH11 ARG2110 2HH2 ARG2110 -0.064 -9.211 -10.909 795 HH12 ARG2110 1HH2 ARG2110 0.571 -10.822 -10.945 796 H ILE2111 H ILE2111 -1.359 -5.909 -6.253 797 HA ILE2111 HA ILE2111 -1.721 -8.558 -5.961 798 HB ILE2111 HB ILE2111 -3.361 -7.893 -4.120 799 HG12 ILE2111 1HG1 ILE2111 -2.529 -5.123 -5.013 800 HG13 ILE2111 2HG1 ILE2111 -4.157 -5.808 -5.163 801 HG21 ILE2111 1HG2 ILE2111 -1.241 -8.310 -3.355 802 HG22 ILE2111 2HG2 ILE2111 -0.496 -7.064 -4.387 803 HG23 ILE2111 3HG2 ILE2111 -1.408 -6.590 -2.933 804 HD11 ILE2111 3HD1 ILE2111 -2.645 -4.964 -2.685 805 HD12 ILE2111 1HD1 ILE2111 -4.322 -4.601 -3.160 806 HD13 ILE2111 2HD1 ILE2111 -3.898 -6.222 -2.558 807 H SER2112 H SER2112 -3.866 -6.263 -7.589 808 HA SER2112 HA SER2112 -5.957 -8.244 -7.693 809 HB2 SER2112 1HB SER2112 -7.212 -6.446 -8.914 810 HB3 SER2112 2HB SER2112 -6.665 -5.955 -7.300 811 HG SER2112 HG SER2112 -6.033 -4.915 -9.797 812 H LYS2113 H LYS2113 -3.815 -6.337 -9.922 813 HA LYS2113 HA LYS2113 -4.654 -7.329 -12.313 814 HB2 LYS2113 1HB LYS2113 -2.469 -5.848 -11.304 815 HB3 LYS2113 2HB LYS2113 -1.787 -7.123 -12.331 816 HG2 LYS2113 1HG LYS2113 -4.183 -5.566 -13.293 817 HG3 LYS2113 2HG LYS2113 -2.584 -4.807 -13.377 818 HD2 LYS2113 1HD LYS2113 -1.918 -7.139 -14.479 819 HD3 LYS2113 2HD LYS2113 -3.651 -7.220 -14.842 820 HE2 LYS2113 1HE LYS2113 -3.556 -5.429 -16.311 821 HE3 LYS2113 2HE LYS2113 -2.213 -4.649 -15.461 822 HZ1 LYS2113 2HZ LYS2113 -1.528 -5.617 -17.602 823 HZ3 LYS2113 1HZ LYS2113 -1.973 -7.106 -17.116 824 H GLN2114 H GLN2114 -3.370 -8.919 -13.775 825 HA GLN2114 HA GLN2114 -2.837 -10.972 -14.235 826 HB2 GLN2114 1HB GLN2114 -0.939 -10.234 -12.507 827 HB3 GLN2114 2HB GLN2114 -1.646 -11.533 -11.530 828 HG2 GLN2114 1HG GLN2114 -0.913 -13.172 -12.959 829 HG3 GLN2114 2HG GLN2114 -1.157 -12.181 -14.407 830 HE21 GLN2114 1HE2 GLN2114 0.964 -13.086 -11.810 831 HE22 GLN2114 2HE2 GLN2114 2.418 -12.348 -12.396 Start of MODEL 27 1 H MET2014 H MET2014 2.872 -16.446 -12.087 2 HA MET2014 HA MET2014 1.010 -18.183 -13.144 3 HB2 MET2014 1HB MET2014 2.292 -19.051 -10.639 4 HB3 MET2014 2HB MET2014 0.541 -18.875 -10.431 5 HG2 MET2014 1HG MET2014 1.259 -20.222 -12.953 6 HG3 MET2014 2HG MET2014 1.872 -21.085 -11.539 7 HE1 MET2014 3HE MET2014 -0.152 -22.972 -10.309 8 HE2 MET2014 1HE MET2014 -0.927 -23.303 -11.876 9 HE3 MET2014 2HE MET2014 0.815 -22.941 -11.803 10 H GLU2015 H GLU2015 -1.238 -17.869 -11.980 11 HA GLU2015 HA GLU2015 -1.631 -15.132 -11.786 12 HB2 GLU2015 1HB GLU2015 -3.299 -17.581 -11.258 13 HB3 GLU2015 2HB GLU2015 -3.935 -15.997 -10.780 14 HG2 GLU2015 1HG GLU2015 -2.788 -15.905 -13.463 15 HG3 GLU2015 2HG GLU2015 -4.016 -17.179 -13.354 16 HE2 GLU2015 HE GLU2015 -6.571 -14.868 -12.622 17 H LEU2016 H LEU2016 -0.410 -17.392 -9.500 18 HA LEU2016 HA LEU2016 0.216 -17.172 -7.391 19 HB2 LEU2016 1HB LEU2016 0.023 -14.488 -8.317 20 HB3 LEU2016 2HB LEU2016 -0.542 -14.547 -6.640 21 HG LEU2016 HG LEU2016 1.846 -14.005 -6.827 22 HD11 LEU2016 1HD1 LEU2016 0.712 -16.160 -5.258 23 HD12 LEU2016 2HD1 LEU2016 2.455 -16.401 -5.523 24 HD13 LEU2016 3HD1 LEU2016 1.866 -14.889 -4.790 25 HD21 LEU2016 3HD2 LEU2016 1.979 -15.680 -8.916 26 HD22 LEU2016 1HD2 LEU2016 3.399 -15.206 -7.955 27 HD23 LEU2016 2HD2 LEU2016 2.593 -16.762 -7.643 28 H ILE2017 H ILE2017 -2.795 -17.360 -8.525 29 HA ILE2017 HA ILE2017 -4.767 -17.865 -7.672 30 HB ILE2017 HB ILE2017 -3.152 -18.340 -5.166 31 HG12 ILE2017 1HG1 ILE2017 -3.957 -20.765 -6.200 32 HG13 ILE2017 2HG1 ILE2017 -3.558 -19.833 -7.653 33 HG21 ILE2017 1HG2 ILE2017 -5.978 -18.216 -5.470 34 HG22 ILE2017 2HG2 ILE2017 -5.523 -19.925 -5.263 35 HG23 ILE2017 3HG2 ILE2017 -5.029 -18.719 -4.051 36 HD11 ILE2017 3HD1 ILE2017 -1.783 -20.458 -5.261 37 HD12 ILE2017 1HD1 ILE2017 -1.516 -20.884 -6.968 38 HD13 ILE2017 2HD1 ILE2017 -1.372 -19.190 -6.441 39 H ARG2018 H ARG2018 -6.580 -16.797 -6.837 40 HA ARG2018 HA ARG2018 -5.906 -14.340 -5.425 41 HB2 ARG2018 1HB ARG2018 -7.945 -14.899 -7.605 42 HB3 ARG2018 2HB ARG2018 -8.126 -13.495 -6.537 43 HG2 ARG2018 1HG ARG2018 -5.624 -14.101 -8.165 44 HG3 ARG2018 2HG ARG2018 -6.917 -13.025 -8.726 45 HD2 ARG2018 1HD ARG2018 -5.807 -11.362 -7.665 46 HD3 ARG2018 2HD ARG2018 -6.338 -12.088 -6.142 47 HE ARG2018 HE ARG2018 -4.164 -12.921 -5.814 48 HH11 ARG2018 2HH2 ARG2018 -4.490 -11.785 -9.155 49 HH12 ARG2018 1HH2 ARG2018 -2.799 -11.934 -9.501 50 H VAL2019 H VAL2019 -7.003 -13.982 -3.485 51 HA VAL2019 HA VAL2019 -9.357 -15.652 -2.976 52 HB VAL2019 HB VAL2019 -6.939 -15.251 -1.212 53 HG11 VAL2019 1HG1 VAL2019 -8.064 -16.148 0.625 54 HG12 VAL2019 2HG1 VAL2019 -9.268 -15.042 -0.083 55 HG13 VAL2019 3HG1 VAL2019 -9.390 -16.794 -0.373 56 HG21 VAL2019 3HG2 VAL2019 -6.669 -17.041 -2.824 57 HG22 VAL2019 1HG2 VAL2019 -6.913 -17.739 -1.205 58 HG23 VAL2019 2HG2 VAL2019 -8.250 -17.728 -2.381 59 HA PRO2020 HA PRO2020 -10.974 -11.842 -1.713 60 HB2 PRO2020 1HB PRO2020 -13.223 -12.698 -0.419 61 HB3 PRO2020 2HB PRO2020 -13.124 -12.532 -2.170 62 HG2 PRO2020 1HG PRO2020 -13.024 -14.952 -0.486 63 HG3 PRO2020 2HG PRO2020 -13.408 -14.818 -2.241 64 HD2 PRO2020 1HD PRO2020 -10.993 -15.743 -1.009 65 HD3 PRO2020 2HD PRO2020 -11.262 -15.481 -2.736 66 H ILE2021 H ILE2021 -10.820 -14.342 0.751 67 HA ILE2021 HA ILE2021 -10.413 -12.208 2.710 68 HB ILE2021 HB ILE2021 -10.662 -14.255 4.288 69 HG12 ILE2021 1HG1 ILE2021 -10.574 -15.774 2.160 70 HG13 ILE2021 2HG1 ILE2021 -11.633 -16.189 3.520 71 HG21 ILE2021 1HG2 ILE2021 -12.892 -12.928 2.742 72 HG22 ILE2021 2HG2 ILE2021 -13.188 -14.020 4.115 73 HG23 ILE2021 3HG2 ILE2021 -12.256 -12.520 4.355 74 HD11 ILE2021 3HD1 ILE2021 -12.734 -14.418 1.349 75 HD12 ILE2021 1HD1 ILE2021 -12.529 -16.150 0.994 76 HD13 ILE2021 2HD1 ILE2021 -13.564 -15.635 2.348 77 H LEU2022 H LEU2022 -8.288 -11.593 2.632 78 HA LEU2022 HA LEU2022 -6.364 -13.270 3.724 79 HB2 LEU2022 1HB LEU2022 -6.832 -13.922 1.075 80 HB3 LEU2022 2HB LEU2022 -5.379 -12.908 1.015 81 HG LEU2022 HG LEU2022 -4.754 -15.227 1.146 82 HD11 LEU2022 1HD1 LEU2022 -3.142 -13.977 2.231 83 HD12 LEU2022 2HD1 LEU2022 -4.227 -13.540 3.573 84 HD13 LEU2022 3HD1 LEU2022 -3.566 -15.189 3.462 85 HD21 LEU2022 3HD2 LEU2022 -6.731 -16.215 2.082 86 HD22 LEU2022 1HD2 LEU2022 -5.349 -16.622 3.126 87 HD23 LEU2022 2HD2 LEU2022 -6.496 -15.352 3.620 88 H TRP2023 H TRP2023 -4.075 -12.094 2.295 89 HA TRP2023 HA TRP2023 -3.982 -9.646 3.681 90 HB2 TRP2023 1HB TRP2023 -2.211 -11.235 1.938 91 HB3 TRP2023 2HB TRP2023 -1.899 -9.499 1.960 92 HD1 TRP2023 HD TRP2023 -3.169 -10.594 5.298 93 HE1 TRP2023 1HE TRP2023 -1.258 -10.838 7.100 94 HE3 TRP2023 3HE TRP2023 0.694 -10.353 2.000 95 HZ2 TRP2023 2HZ TRP2023 1.592 -10.902 6.948 96 HZ3 TRP2023 3HZ TRP2023 3.009 -10.514 2.909 97 HH2 TRP2023 HH TRP2023 3.488 -10.780 5.290 98 H HIS2024 H HIS2024 -4.134 -10.503 0.148 99 HA HIS2024 HA HIS2024 -4.193 -8.020 -0.906 100 HB2 HIS2024 1HB HIS2024 -6.067 -10.137 -1.919 101 HB3 HIS2024 2HB HIS2024 -5.101 -8.974 -2.834 102 HD1 HIS2024 1HD HIS2024 -4.992 -12.370 -1.282 103 HD2 HIS2024 2HD HIS2024 -2.335 -9.692 -3.119 104 HE1 HIS2024 1HE HIS2024 -2.883 -13.706 -1.816 105 HE2 HIS2024 2HE HIS2024 -1.279 -12.011 -2.945 106 H GLU2025 H GLU2025 -6.610 -9.553 1.128 107 HA GLU2025 HA GLU2025 -8.763 -7.955 0.301 108 HB2 GLU2025 1HB GLU2025 -8.918 -10.153 1.519 109 HB3 GLU2025 2HB GLU2025 -8.374 -9.334 2.992 110 HG2 GLU2025 1HG GLU2025 -10.471 -7.738 1.971 111 HG3 GLU2025 2HG GLU2025 -11.031 -9.404 1.769 112 HE2 GLU2025 HE GLU2025 -10.884 -7.758 5.349 113 H MET2026 H MET2026 -6.149 -7.625 2.719 114 HA MET2026 HA MET2026 -7.347 -5.390 3.973 115 HB2 MET2026 1HB MET2026 -5.460 -5.474 5.375 116 HB3 MET2026 2HB MET2026 -5.485 -7.141 4.776 117 HG2 MET2026 1HG MET2026 -3.249 -6.552 4.418 118 HG3 MET2026 2HG MET2026 -3.950 -6.151 2.847 119 HE1 MET2026 3HE MET2026 -1.294 -4.848 4.925 120 HE2 MET2026 1HE MET2026 -1.430 -5.033 3.159 121 HE3 MET2026 2HE MET2026 -1.207 -3.416 3.871 122 H TRP2027 H TRP2027 -5.114 -5.930 1.254 123 HA TRP2027 HA TRP2027 -4.134 -3.281 1.134 124 HB2 TRP2027 1HB TRP2027 -4.253 -5.510 -0.893 125 HB3 TRP2027 2HB TRP2027 -3.450 -3.964 -1.176 126 HD1 TRP2027 HD TRP2027 -3.164 -7.004 1.253 127 HE1 TRP2027 1HE TRP2027 -0.673 -7.312 2.063 128 HE3 TRP2027 3HE TRP2027 -1.350 -2.840 -1.033 129 HZ2 TRP2027 2HZ TRP2027 1.725 -5.815 1.665 130 HZ3 TRP2027 3HZ TRP2027 1.077 -2.335 -0.774 131 HH2 TRP2027 HH TRP2027 2.599 -3.745 0.520 132 H HIS2028 H HIS2028 -6.863 -5.105 -0.370 133 HA HIS2028 HA HIS2028 -7.664 -2.991 -2.036 134 HB2 HIS2028 1HB HIS2028 -8.599 -4.850 -2.844 135 HB3 HIS2028 2HB HIS2028 -8.622 -5.659 -1.272 136 HD1 HIS2028 1HD HIS2028 -10.739 -3.725 -3.652 137 HD2 HIS2028 2HD HIS2028 -10.986 -5.134 0.291 138 HE1 HIS2028 1HE HIS2028 -13.195 -3.545 -2.982 139 HE2 HIS2028 2HE HIS2028 -13.294 -4.422 -0.543 140 H GLU2029 H GLU2029 -9.061 -4.260 1.077 141 HA GLU2029 HA GLU2029 -10.870 -2.172 1.322 142 HB2 GLU2029 1HB GLU2029 -11.543 -3.755 2.776 143 HB3 GLU2029 2HB GLU2029 -9.915 -4.435 2.943 144 HG2 GLU2029 1HG GLU2029 -9.336 -2.904 4.660 145 HG3 GLU2029 2HG GLU2029 -10.669 -1.805 4.265 146 HE2 GLU2029 HE GLU2029 -12.665 -3.302 6.580 147 H GLY2030 H GLY2030 -7.532 -2.658 2.615 148 HA2 GLY2030 2HA GLY2030 -7.336 -0.505 4.317 149 HA3 GLY2030 3HA GLY2030 -6.018 -1.181 3.380 150 H LEU2031 H LEU2031 -6.177 -0.542 0.864 151 HA LEU2031 HA LEU2031 -5.769 2.202 0.750 152 HB2 LEU2031 1HB LEU2031 -5.196 0.077 -0.800 153 HB3 LEU2031 2HB LEU2031 -6.500 0.812 -1.750 154 HG LEU2031 HG LEU2031 -5.267 2.853 -1.982 155 HD11 LEU2031 1HD1 LEU2031 -3.750 1.817 0.313 156 HD12 LEU2031 2HD1 LEU2031 -2.750 2.572 -0.950 157 HD13 LEU2031 3HD1 LEU2031 -4.076 3.491 -0.197 158 HD21 LEU2031 3HD2 LEU2031 -4.436 0.410 -3.039 159 HD22 LEU2031 1HD2 LEU2031 -4.042 2.036 -3.648 160 HD23 LEU2031 2HD2 LEU2031 -2.934 1.212 -2.524 161 H GLU2032 H GLU2032 -8.689 0.226 0.423 162 HA GLU2032 HA GLU2032 -10.261 1.923 -1.010 163 HB2 GLU2032 1HB GLU2032 -10.581 -0.419 0.536 164 HB3 GLU2032 2HB GLU2032 -11.772 0.726 1.177 165 HG2 GLU2032 1HG GLU2032 -11.421 -0.128 -1.727 166 HG3 GLU2032 2HG GLU2032 -12.766 -0.566 -0.662 167 HE2 GLU2032 HE GLU2032 -13.060 2.643 -2.786 168 H GLU2033 H GLU2033 -9.763 1.821 2.588 169 HA GLU2033 HA GLU2033 -11.392 4.089 2.984 170 HB2 GLU2033 1HB GLU2033 -10.561 2.102 4.590 171 HB3 GLU2033 2HB GLU2033 -9.336 3.307 5.025 172 HG2 GLU2033 1HG GLU2033 -10.913 4.777 5.916 173 HG3 GLU2033 2HG GLU2033 -12.235 4.148 4.918 174 HE2 GLU2033 HE GLU2033 -12.411 2.988 8.441 175 H ALA2034 H ALA2034 -7.809 3.497 3.034 176 HA ALA2034 HA ALA2034 -7.014 6.060 3.648 177 HB1 ALA2034 3HB ALA2034 -5.876 3.601 2.588 178 HB2 ALA2034 1HB ALA2034 -5.138 5.024 1.814 179 HB3 ALA2034 2HB ALA2034 -5.111 4.862 3.586 180 H SER2035 H SER2035 -7.680 4.572 0.407 181 HA SER2035 HA SER2035 -7.026 6.835 -1.037 182 HB2 SER2035 1HB SER2035 -7.320 4.532 -1.956 183 HB3 SER2035 2HB SER2035 -9.073 4.684 -1.744 184 HG SER2035 HG SER2035 -8.098 5.194 -3.938 185 H ARG2036 H ARG2036 -10.112 5.713 0.454 186 HA ARG2036 HA ARG2036 -11.792 7.514 -0.698 187 HB2 ARG2036 1HB ARG2036 -12.367 5.567 0.839 188 HB3 ARG2036 2HB ARG2036 -11.934 6.599 2.216 189 HG2 ARG2036 1HG ARG2036 -13.655 8.248 1.475 190 HG3 ARG2036 2HG ARG2036 -14.107 7.172 0.142 191 HD2 ARG2036 1HD ARG2036 -14.919 5.496 1.656 192 HD3 ARG2036 2HD ARG2036 -14.168 6.278 3.056 193 HE ARG2036 HE ARG2036 -15.941 7.842 3.110 194 HH11 ARG2036 2HH2 ARG2036 -16.157 5.859 0.182 195 HH12 ARG2036 1HH2 ARG2036 -17.754 6.401 -0.217 196 H LEU2037 H LEU2037 -9.518 7.878 2.049 197 HA LEU2037 HA LEU2037 -10.525 10.405 2.869 198 HB2 LEU2037 1HB LEU2037 -7.918 8.989 3.397 199 HB3 LEU2037 2HB LEU2037 -8.439 10.483 4.198 200 HG LEU2037 HG LEU2037 -10.265 8.131 4.332 201 HD11 LEU2037 1HD1 LEU2037 -7.493 7.977 5.160 202 HD12 LEU2037 2HD1 LEU2037 -8.592 7.804 6.548 203 HD13 LEU2037 3HD1 LEU2037 -8.752 6.721 5.145 204 HD21 LEU2037 3HD2 LEU2037 -9.487 10.417 6.141 205 HD22 LEU2037 1HD2 LEU2037 -11.071 10.047 5.416 206 HD23 LEU2037 2HD2 LEU2037 -10.430 9.025 6.725 207 H TYR2038 H TYR2038 -7.964 9.246 0.634 208 HA TYR2038 HA TYR2038 -6.944 11.868 0.165 209 HB2 TYR2038 1HB TYR2038 -5.768 9.604 -0.073 210 HB3 TYR2038 2HB TYR2038 -6.836 9.231 -1.429 211 HD1 TYR2038 2HD TYR2038 -4.467 11.934 -0.332 212 HD2 TYR2038 1HD TYR2038 -6.007 9.591 -3.565 213 HE1 TYR2038 2HE TYR2038 -2.815 13.031 -1.923 214 HE2 TYR2038 1HE TYR2038 -4.350 10.696 -5.144 215 HH TYR2038 HH TYR2038 -3.119 13.111 -5.060 216 H PHE2039 H PHE2039 -8.869 9.527 -1.851 217 HA PHE2039 HA PHE2039 -9.357 11.509 -3.828 218 HB2 PHE2039 1HB PHE2039 -10.409 8.729 -3.100 219 HB3 PHE2039 2HB PHE2039 -11.057 9.597 -4.495 220 HD1 PHE2039 2HD PHE2039 -7.882 8.307 -3.047 221 HD2 PHE2039 1HD PHE2039 -9.979 9.443 -6.557 222 HE1 PHE2039 2HE PHE2039 -6.006 7.415 -4.456 223 HE2 PHE2039 1HE PHE2039 -8.103 8.552 -7.966 224 HZ PHE2039 HZ PHE2039 -6.139 7.549 -6.899 225 H GLY2040 H GLY2040 -11.316 9.958 -1.204 226 HA2 GLY2040 2HA GLY2040 -13.642 11.538 -1.813 227 HA3 GLY2040 3HA GLY2040 -13.412 10.438 -0.468 228 H GLU2041 H GLU2041 -10.658 12.319 -0.439 229 HA GLU2041 HA GLU2041 -9.933 13.937 0.813 230 HB2 GLU2041 1HB GLU2041 -10.927 15.626 -0.386 231 HB3 GLU2041 2HB GLU2041 -12.572 15.026 -0.106 232 HG2 GLU2041 1HG GLU2041 -12.633 15.944 2.096 233 HG3 GLU2041 2HG GLU2041 -10.881 16.200 2.136 234 HE2 GLU2041 HE GLU2041 -11.456 19.429 1.184 235 H ARG2042 H ARG2042 -9.725 14.504 3.036 236 HA ARG2042 HA ARG2042 -11.714 14.523 4.863 237 HB2 ARG2042 1HB ARG2042 -11.842 12.025 4.148 238 HB3 ARG2042 2HB ARG2042 -10.325 11.816 5.044 239 HG2 ARG2042 1HG ARG2042 -13.090 12.449 6.043 240 HG3 ARG2042 2HG ARG2042 -11.888 11.329 6.710 241 HD2 ARG2042 1HD ARG2042 -10.541 13.253 7.503 242 HD3 ARG2042 2HD ARG2042 -11.724 14.380 6.818 243 HE ARG2042 HE ARG2042 -11.968 12.863 9.302 244 HH11 ARG2042 2HH2 ARG2042 -13.814 14.420 6.707 245 HH12 ARG2042 1HH2 ARG2042 -15.230 14.642 7.679 246 H ASN2043 H ASN2043 -8.468 12.903 4.502 247 HA ASN2043 HA ASN2043 -7.002 14.886 5.599 248 HB2 ASN2043 1HB ASN2043 -8.581 13.915 7.637 249 HB3 ASN2043 2HB ASN2043 -7.147 12.894 7.827 250 HD21 ASN2043 1HD2 ASN2043 -5.309 14.833 6.756 251 HD22 ASN2043 2HD2 ASN2043 -5.090 16.079 7.939 252 H VAL2044 H VAL2044 -5.169 14.193 4.471 253 HA VAL2044 HA VAL2044 -4.621 11.670 3.639 254 HB VAL2044 HB VAL2044 -3.007 14.113 4.200 255 HG11 VAL2044 1HG1 VAL2044 -1.040 12.784 3.105 256 HG12 VAL2044 2HG1 VAL2044 -1.323 12.655 4.858 257 HG13 VAL2044 3HG1 VAL2044 -1.873 11.360 3.769 258 HG21 VAL2044 3HG2 VAL2044 -3.103 14.410 1.963 259 HG22 VAL2044 1HG2 VAL2044 -2.827 12.686 1.615 260 HG23 VAL2044 2HG2 VAL2044 -4.456 13.256 2.055 261 H LYS2045 H LYS2045 -4.128 13.101 6.858 262 HA LYS2045 HA LYS2045 -2.305 11.296 7.880 263 HB2 LYS2045 1HB LYS2045 -3.014 12.036 10.025 264 HB3 LYS2045 2HB LYS2045 -3.081 13.427 8.931 265 HG2 LYS2045 1HG LYS2045 -5.241 13.716 9.492 266 HG3 LYS2045 2HG LYS2045 -5.629 12.135 8.788 267 HD2 LYS2045 1HD LYS2045 -5.929 11.226 10.831 268 HD3 LYS2045 2HD LYS2045 -4.375 11.847 11.419 269 HE2 LYS2045 1HE LYS2045 -5.348 13.911 12.103 270 HE3 LYS2045 2HE LYS2045 -6.813 13.648 11.144 271 HZ1 LYS2045 2HZ LYS2045 -6.017 12.085 13.542 272 HZ3 LYS2045 1HZ LYS2045 -7.351 11.795 12.655 273 H GLY2046 H GLY2046 -5.807 11.002 7.260 274 HA2 GLY2046 2HA GLY2046 -6.382 8.767 8.809 275 HA3 GLY2046 3HA GLY2046 -7.181 9.226 7.319 276 H MET2047 H MET2047 -5.384 8.922 5.307 277 HA MET2047 HA MET2047 -5.339 6.223 4.902 278 HB2 MET2047 1HB MET2047 -5.128 7.553 2.971 279 HB3 MET2047 2HB MET2047 -3.922 8.624 3.706 280 HG2 MET2047 1HG MET2047 -2.317 6.620 3.655 281 HG3 MET2047 2HG MET2047 -3.514 5.785 2.659 282 HE1 MET2047 3HE MET2047 -0.848 9.308 1.748 283 HE2 MET2047 1HE MET2047 -2.451 9.873 2.277 284 HE3 MET2047 2HE MET2047 -1.501 8.788 3.320 285 H PHE2048 H PHE2048 -2.558 8.393 5.794 286 HA PHE2048 HA PHE2048 -0.607 6.482 5.908 287 HB2 PHE2048 1HB PHE2048 -1.266 9.020 7.477 288 HB3 PHE2048 2HB PHE2048 0.239 8.150 7.798 289 HD1 PHE2048 1HD PHE2048 0.919 7.338 4.995 290 HD2 PHE2048 2HD PHE2048 -0.487 11.022 6.563 291 HE1 PHE2048 1HE PHE2048 2.015 8.563 3.100 292 HE2 PHE2048 2HE PHE2048 0.609 12.247 4.667 293 HZ PHE2048 HZ PHE2048 1.848 11.002 2.957 294 H GLU2049 H GLU2049 -3.132 7.303 8.324 295 HA GLU2049 HA GLU2049 -1.945 5.675 10.314 296 HB2 GLU2049 1HB GLU2049 -4.730 6.879 10.099 297 HB3 GLU2049 2HB GLU2049 -4.073 6.122 11.559 298 HG2 GLU2049 1HG GLU2049 -2.557 7.859 11.930 299 HG3 GLU2049 2HG GLU2049 -2.517 8.344 10.228 300 HE2 GLU2049 HE GLU2049 -4.619 10.533 12.447 301 H VAL2050 H VAL2050 -3.837 5.098 7.489 302 HA VAL2050 HA VAL2050 -5.099 2.718 8.538 303 HB VAL2050 HB VAL2050 -5.158 4.302 6.008 304 HG11 VAL2050 1HG1 VAL2050 -4.775 1.959 5.281 305 HG12 VAL2050 2HG1 VAL2050 -6.214 1.462 6.204 306 HG13 VAL2050 3HG1 VAL2050 -6.383 2.570 4.822 307 HG21 VAL2050 3HG2 VAL2050 -7.354 3.094 7.721 308 HG22 VAL2050 1HG2 VAL2050 -6.731 4.754 7.872 309 HG23 VAL2050 2HG2 VAL2050 -7.560 4.246 6.381 310 H LEU2051 H LEU2051 -2.412 3.684 6.338 311 HA LEU2051 HA LEU2051 -1.793 0.953 5.731 312 HB2 LEU2051 1HB LEU2051 0.201 3.053 5.225 313 HB3 LEU2051 2HB LEU2051 -0.433 1.788 4.157 314 HG LEU2051 HG LEU2051 -1.593 4.508 4.764 315 HD11 LEU2051 1HD1 LEU2051 -1.355 4.930 2.442 316 HD12 LEU2051 2HD1 LEU2051 0.178 4.212 2.990 317 HD13 LEU2051 3HD1 LEU2051 -0.999 3.222 2.094 318 HD21 LEU2051 3HD2 LEU2051 -2.991 2.041 3.893 319 HD22 LEU2051 1HD2 LEU2051 -3.600 3.469 4.763 320 HD23 LEU2051 2HD2 LEU2051 -3.370 3.534 3.000 321 H GLU2052 H GLU2052 -0.493 3.567 7.852 322 HA GLU2052 HA GLU2052 1.784 2.569 8.703 323 HB2 GLU2052 1HB GLU2052 -0.310 4.224 9.845 324 HB3 GLU2052 2HB GLU2052 0.488 3.288 11.120 325 HG2 GLU2052 1HG GLU2052 2.210 4.739 11.051 326 HG3 GLU2052 2HG GLU2052 2.551 4.239 9.388 327 HE2 GLU2052 HE GLU2052 0.516 7.620 10.102 328 HA PRO2053 HA PRO2053 -0.352 -0.556 11.558 329 HB2 PRO2053 1HB PRO2053 -3.055 -0.916 11.414 330 HB3 PRO2053 2HB PRO2053 -2.286 0.135 12.599 331 HG2 PRO2053 1HG PRO2053 -3.735 0.813 10.122 332 HG3 PRO2053 2HG PRO2053 -3.385 1.864 11.541 333 HD2 PRO2053 1HD PRO2053 -2.124 1.867 8.970 334 HD3 PRO2053 2HD PRO2053 -1.638 2.810 10.383 335 H LEU2054 H LEU2054 -2.323 -0.441 8.626 336 HA LEU2054 HA LEU2054 -2.512 -3.132 8.213 337 HB2 LEU2054 1HB LEU2054 -2.401 -0.757 6.399 338 HB3 LEU2054 2HB LEU2054 -2.502 -2.391 5.722 339 HG LEU2054 HG LEU2054 -4.499 -0.998 7.522 340 HD11 LEU2054 1HD1 LEU2054 -4.972 -2.136 4.768 341 HD12 LEU2054 2HD1 LEU2054 -5.958 -0.972 5.687 342 HD13 LEU2054 3HD1 LEU2054 -4.384 -0.475 5.021 343 HD21 LEU2054 3HD2 LEU2054 -5.769 -3.271 6.830 344 HD22 LEU2054 1HD2 LEU2054 -4.102 -3.879 6.956 345 HD23 LEU2054 2HD2 LEU2054 -4.859 -3.068 8.347 346 H HIS2055 H HIS2055 0.065 -0.927 6.897 347 HA HIS2055 HA HIS2055 1.573 -2.980 5.799 348 HB2 HIS2055 1HB HIS2055 2.132 -0.160 6.650 349 HB3 HIS2055 2HB HIS2055 3.460 -1.193 6.107 350 HD1 HIS2055 1HD HIS2055 2.842 1.259 4.435 351 HD2 HIS2055 2HD HIS2055 0.992 -2.451 3.796 352 HE1 HIS2055 1HE HIS2055 2.023 1.276 2.020 353 HE2 HIS2055 2HE HIS2055 0.887 -1.030 1.676 354 H ALA2056 H ALA2056 1.823 -1.317 9.013 355 HA ALA2056 HA ALA2056 4.030 -2.649 9.961 356 HB1 ALA2056 3HB ALA2056 1.545 -1.552 11.320 357 HB2 ALA2056 1HB ALA2056 2.943 -2.179 12.226 358 HB3 ALA2056 2HB ALA2056 3.138 -0.775 11.148 359 H MET2057 H MET2057 0.539 -3.609 10.076 360 HA MET2057 HA MET2057 0.802 -5.840 11.597 361 HB2 MET2057 1HB MET2057 -1.406 -6.035 11.026 362 HB3 MET2057 2HB MET2057 -1.171 -4.606 10.004 363 HG2 MET2057 1HG MET2057 -0.587 -6.069 8.090 364 HG3 MET2057 2HG MET2057 -0.761 -7.501 9.110 365 HE1 MET2057 3HE MET2057 -2.572 -7.922 6.706 366 HE2 MET2057 1HE MET2057 -3.812 -6.679 6.416 367 HE3 MET2057 2HE MET2057 -2.087 -6.243 6.361 368 H MET2058 H MET2058 1.461 -5.411 8.087 369 HA MET2058 HA MET2058 1.803 -8.154 7.599 370 HB2 MET2058 1HB MET2058 2.869 -5.677 6.143 371 HB3 MET2058 2HB MET2058 2.828 -7.308 5.449 372 HG2 MET2058 1HG MET2058 0.477 -5.529 6.219 373 HG3 MET2058 2HG MET2058 0.885 -6.135 4.610 374 HE1 MET2058 3HE MET2058 -2.126 -8.237 4.789 375 HE2 MET2058 1HE MET2058 -1.342 -6.730 4.259 376 HE3 MET2058 2HE MET2058 -0.702 -8.302 3.723 377 H GLU2059 H GLU2059 3.897 -5.557 8.811 378 HA GLU2059 HA GLU2059 6.295 -6.965 8.283 379 HB2 GLU2059 1HB GLU2059 5.922 -4.725 10.292 380 HB3 GLU2059 2HB GLU2059 7.393 -5.145 9.397 381 HG2 GLU2059 1HG GLU2059 5.735 -4.689 7.311 382 HG3 GLU2059 2HG GLU2059 4.954 -3.639 8.501 383 HE2 GLU2059 HE GLU2059 7.697 -1.477 8.681 384 H ARG2060 H ARG2060 4.630 -6.028 11.387 385 HA ARG2060 HA ARG2060 6.182 -7.888 12.826 386 HB2 ARG2060 1HB ARG2060 4.759 -7.230 14.743 387 HB3 ARG2060 2HB ARG2060 5.283 -5.794 13.844 388 HG2 ARG2060 1HG ARG2060 3.102 -5.763 12.658 389 HG3 ARG2060 2HG ARG2060 2.578 -7.191 13.569 390 HD2 ARG2060 1HD ARG2060 3.313 -5.583 15.631 391 HD3 ARG2060 2HD ARG2060 2.860 -4.338 14.455 392 HE ARG2060 HE ARG2060 0.789 -6.241 14.406 393 HH11 ARG2060 2HH2 ARG2060 2.227 -4.084 16.822 394 HH12 ARG2060 1HH2 ARG2060 0.762 -3.925 17.732 395 H GLY2061 H GLY2061 3.346 -8.093 10.864 396 HA2 GLY2061 2HA GLY2061 2.613 -10.675 12.116 397 HA3 GLY2061 3HA GLY2061 1.448 -9.564 11.420 398 HA PRO2062 HA PRO2062 3.964 -11.397 7.833 399 HB2 PRO2062 1HB PRO2062 5.772 -13.380 8.343 400 HB3 PRO2062 2HB PRO2062 6.223 -11.684 8.172 401 HG2 PRO2062 1HG PRO2062 5.951 -13.340 10.600 402 HG3 PRO2062 2HG PRO2062 6.856 -11.797 10.387 403 HD2 PRO2062 1HD PRO2062 4.342 -12.221 11.691 404 HD3 PRO2062 2HD PRO2062 5.115 -10.663 11.369 405 H GLN2063 H GLN2063 4.535 -14.000 7.001 406 HA GLN2063 HA GLN2063 2.246 -15.448 8.030 407 HB2 GLN2063 1HB GLN2063 2.279 -14.112 5.513 408 HB3 GLN2063 2HB GLN2063 2.376 -15.850 5.170 409 HG2 GLN2063 1HG GLN2063 0.428 -15.081 7.278 410 HG3 GLN2063 2HG GLN2063 0.039 -14.475 5.662 411 HE21 GLN2063 1HE2 GLN2063 -1.037 -16.626 7.524 412 HE22 GLN2063 2HE2 GLN2063 -1.181 -18.046 6.541 413 H THR2064 H THR2064 4.607 -15.766 5.277 414 HA THR2064 HA THR2064 6.215 -17.668 6.576 415 HB THR2064 HB THR2064 4.165 -19.079 6.397 416 HG1 THR2064 1HG THR2064 6.066 -19.746 4.279 417 HG21 THR2064 3HG2 THR2064 3.853 -19.821 3.819 418 HG22 THR2064 1HG2 THR2064 2.893 -18.495 4.516 419 HG23 THR2064 2HG2 THR2064 4.331 -18.130 3.533 420 H LEU2065 H LEU2065 7.662 -18.844 4.887 421 HA LEU2065 HA LEU2065 8.979 -16.940 3.446 422 HB2 LEU2065 1HB LEU2065 9.048 -19.778 3.811 423 HB3 LEU2065 2HB LEU2065 9.373 -19.391 2.112 424 HG LEU2065 HG LEU2065 10.873 -17.675 3.921 425 HD11 LEU2065 1HD1 LEU2065 12.437 -19.469 4.707 426 HD12 LEU2065 2HD1 LEU2065 10.841 -19.467 5.497 427 HD13 LEU2065 3HD1 LEU2065 11.206 -20.667 4.234 428 HD21 LEU2065 3HD2 LEU2065 12.776 -18.585 2.546 429 HD22 LEU2065 1HD2 LEU2065 11.579 -19.582 1.682 430 HD23 LEU2065 2HD2 LEU2065 11.468 -17.806 1.625 431 H LYS2066 H LYS2066 6.057 -18.756 2.610 432 HA LYS2066 HA LYS2066 6.188 -18.256 -0.170 433 HB2 LYS2066 1HB LYS2066 4.195 -19.293 1.777 434 HB3 LYS2066 2HB LYS2066 3.578 -18.696 0.225 435 HG2 LYS2066 1HG LYS2066 5.052 -20.213 -0.991 436 HG3 LYS2066 2HG LYS2066 5.844 -20.724 0.512 437 HD2 LYS2066 1HD LYS2066 4.313 -22.367 0.675 438 HD3 LYS2066 2HD LYS2066 3.062 -21.136 0.922 439 HE2 LYS2066 1HE LYS2066 2.553 -21.063 -1.422 440 HE3 LYS2066 2HE LYS2066 4.008 -21.978 -1.851 441 HZ1 LYS2066 2HZ LYS2066 2.917 -23.795 -0.389 442 HZ3 LYS2066 1HZ LYS2066 2.312 -23.566 -1.883 443 H GLU2067 H GLU2067 4.898 -16.495 2.669 444 HA GLU2067 HA GLU2067 3.714 -14.529 0.955 445 HB2 GLU2067 1HB GLU2067 2.833 -15.367 3.244 446 HB3 GLU2067 2HB GLU2067 4.044 -14.291 3.962 447 HG2 GLU2067 1HG GLU2067 2.144 -12.924 3.857 448 HG3 GLU2067 2HG GLU2067 2.998 -12.472 2.374 449 HE2 GLU2067 HE GLU2067 -0.585 -14.091 2.199 450 H THR2068 H THR2068 6.770 -15.158 2.514 451 HA THR2068 HA THR2068 7.685 -12.585 3.010 452 HB THR2068 HB THR2068 9.049 -15.194 2.181 453 HG1 THR2068 1HG THR2068 8.050 -15.202 4.263 454 HG21 THR2068 3HG2 THR2068 10.563 -13.208 1.734 455 HG22 THR2068 1HG2 THR2068 10.296 -12.681 3.412 456 HG23 THR2068 2HG2 THR2068 11.130 -14.219 3.085 457 H SER2069 H SER2069 7.285 -14.343 -0.052 458 HA SER2069 HA SER2069 8.939 -12.634 -1.525 459 HB2 SER2069 1HB SER2069 7.432 -14.974 -1.974 460 HB3 SER2069 2HB SER2069 6.757 -13.776 -3.095 461 HG SER2069 HG SER2069 8.530 -13.926 -4.286 462 H PHE2070 H PHE2070 5.525 -12.562 -0.489 463 HA PHE2070 HA PHE2070 4.666 -10.588 -2.291 464 HB2 PHE2070 1HB PHE2070 3.300 -12.195 -0.843 465 HB3 PHE2070 2HB PHE2070 3.777 -11.259 0.577 466 HD1 PHE2070 1HD PHE2070 2.937 -8.936 0.839 467 HD2 PHE2070 2HD PHE2070 1.560 -11.466 -2.277 468 HE1 PHE2070 1HE PHE2070 0.956 -7.433 0.493 469 HE2 PHE2070 2HE PHE2070 -0.420 -9.962 -2.624 470 HZ PHE2070 HZ PHE2070 -0.699 -7.964 -1.234 471 H ASN2071 H ASN2071 5.708 -10.408 1.187 472 HA ASN2071 HA ASN2071 5.420 -7.674 1.377 473 HB2 ASN2071 1HB ASN2071 5.984 -9.626 3.141 474 HB3 ASN2071 2HB ASN2071 7.642 -9.059 2.889 475 HD21 ASN2071 1HD2 ASN2071 8.321 -7.432 4.060 476 HD22 ASN2071 2HD2 ASN2071 7.351 -6.298 4.939 477 H GLN2072 H GLN2072 7.971 -9.779 0.057 478 HA GLN2072 HA GLN2072 9.934 -7.722 0.028 479 HB2 GLN2072 1HB GLN2072 9.754 -10.586 -0.653 480 HB3 GLN2072 2HB GLN2072 10.831 -9.677 -1.727 481 HG2 GLN2072 1HG GLN2072 10.985 -9.371 1.284 482 HG3 GLN2072 2HG GLN2072 11.818 -10.705 0.471 483 HE21 GLN2072 1HE2 GLN2072 11.938 -7.498 1.449 484 HE22 GLN2072 2HE2 GLN2072 13.337 -6.962 0.579 485 H ALA2073 H ALA2073 7.863 -9.416 -2.424 486 HA ALA2073 HA ALA2073 8.711 -8.303 -4.716 487 HB1 ALA2073 3HB ALA2073 6.397 -8.569 -5.515 488 HB2 ALA2073 1HB ALA2073 6.868 -9.939 -4.480 489 HB3 ALA2073 2HB ALA2073 5.816 -8.656 -3.833 490 H TYR2074 H TYR2074 6.309 -6.792 -2.441 491 HA TYR2074 HA TYR2074 6.617 -4.283 -3.882 492 HB2 TYR2074 1HB TYR2074 4.972 -5.058 -1.407 493 HB3 TYR2074 2HB TYR2074 4.651 -3.694 -2.483 494 HD1 TYR2074 2HD TYR2074 4.599 -4.715 -5.131 495 HD2 TYR2074 1HD TYR2074 3.321 -6.659 -1.541 496 HE1 TYR2074 2HE TYR2074 3.016 -6.179 -6.479 497 HE2 TYR2074 1HE TYR2074 1.743 -8.116 -2.899 498 HH TYR2074 HH TYR2074 1.804 -8.925 -5.467 499 H GLY2075 H GLY2075 7.808 -5.944 -1.048 500 HA2 GLY2075 2HA GLY2075 8.205 -4.126 0.878 501 HA3 GLY2075 3HA GLY2075 9.430 -5.280 0.391 502 H ARG2076 H ARG2076 9.679 -4.092 -2.380 503 HA ARG2076 HA ARG2076 11.575 -2.118 -1.628 504 HB2 ARG2076 1HB ARG2076 11.080 -3.859 -3.873 505 HB3 ARG2076 2HB ARG2076 11.223 -2.204 -4.488 506 HG2 ARG2076 1HG ARG2076 13.217 -3.517 -2.597 507 HG3 ARG2076 2HG ARG2076 13.418 -3.468 -4.357 508 HD2 ARG2076 1HD ARG2076 13.192 -0.912 -4.154 509 HD3 ARG2076 2HD ARG2076 13.369 -1.126 -2.405 510 HE ARG2076 HE ARG2076 15.462 -2.493 -3.893 511 HH11 ARG2076 2HH2 ARG2076 14.480 0.682 -2.662 512 HH12 ARG2076 1HH2 ARG2076 16.098 1.295 -2.598 513 H ASP2077 H ASP2077 8.471 -2.282 -3.477 514 HA ASP2077 HA ASP2077 8.458 0.325 -4.347 515 HB2 ASP2077 1HB ASP2077 6.197 -1.568 -3.591 516 HB3 ASP2077 2HB ASP2077 5.911 -0.010 -4.381 517 HD2 ASP2077 HD ASP2077 7.088 -1.135 -7.463 518 H LEU2078 H LEU2078 6.724 -1.200 -1.516 519 HA LEU2078 HA LEU2078 5.686 1.087 -0.425 520 HB2 LEU2078 1HB LEU2078 6.578 -1.524 0.744 521 HB3 LEU2078 2HB LEU2078 5.872 -0.254 1.759 522 HG LEU2078 HG LEU2078 3.836 -0.321 0.323 523 HD11 LEU2078 1HD1 LEU2078 3.600 -2.481 -1.059 524 HD12 LEU2078 2HD1 LEU2078 4.521 -1.127 -1.755 525 HD13 LEU2078 3HD1 LEU2078 5.380 -2.516 -1.046 526 HD21 LEU2078 3HD2 LEU2078 4.295 -3.105 1.342 527 HD22 LEU2078 1HD2 LEU2078 4.314 -1.730 2.472 528 HD23 LEU2078 2HD2 LEU2078 2.865 -2.054 1.490 529 H MET2079 H MET2079 8.956 -0.373 0.021 530 HA MET2079 HA MET2079 9.854 1.223 2.015 531 HB2 MET2079 1HB MET2079 10.928 -0.500 -0.060 532 HB3 MET2079 2HB MET2079 11.979 0.920 0.083 533 HG2 MET2079 1HG MET2079 12.651 0.361 2.224 534 HG3 MET2079 2HG MET2079 11.097 -0.365 2.646 535 HE1 MET2079 3HE MET2079 10.768 -3.336 2.238 536 HE2 MET2079 1HE MET2079 12.292 -3.662 3.098 537 HE3 MET2079 2HE MET2079 11.311 -2.240 3.530 538 H GLU2080 H GLU2080 9.937 1.883 -1.552 539 HA GLU2080 HA GLU2080 11.158 4.394 -1.186 540 HB2 GLU2080 1HB GLU2080 11.393 3.116 -3.262 541 HB3 GLU2080 2HB GLU2080 9.651 3.228 -3.568 542 HG2 GLU2080 1HG GLU2080 9.765 5.503 -4.095 543 HG3 GLU2080 2HG GLU2080 11.243 5.763 -3.159 544 HE2 GLU2080 HE GLU2080 11.613 5.323 -6.937 545 H ALA2081 H ALA2081 7.775 3.275 -1.826 546 HA ALA2081 HA ALA2081 6.595 5.756 -2.089 547 HB1 ALA2081 3HB ALA2081 4.773 4.454 -2.309 548 HB2 ALA2081 1HB ALA2081 5.820 3.057 -1.962 549 HB3 ALA2081 2HB ALA2081 4.929 3.849 -0.642 550 H GLN2082 H GLN2082 7.405 3.839 0.858 551 HA GLN2082 HA GLN2082 6.120 5.569 2.619 552 HB2 GLN2082 1HB GLN2082 6.880 3.201 3.069 553 HB3 GLN2082 2HB GLN2082 8.537 3.810 3.212 554 HG2 GLN2082 1HG GLN2082 7.151 5.528 4.871 555 HG3 GLN2082 2HG GLN2082 6.250 4.020 5.098 556 HE21 GLN2082 1HE2 GLN2082 7.412 4.878 7.251 557 HE22 GLN2082 2HE2 GLN2082 8.865 4.026 7.655 558 H GLU2083 H GLU2083 9.401 5.507 1.179 559 HA GLU2083 HA GLU2083 10.532 7.379 2.883 560 HB2 GLU2083 1HB GLU2083 12.328 6.804 1.676 561 HB3 GLU2083 2HB GLU2083 11.287 5.899 0.562 562 HG2 GLU2083 1HG GLU2083 10.876 8.044 -0.689 563 HG3 GLU2083 2HG GLU2083 12.037 8.854 0.371 564 HE2 GLU2083 HE GLU2083 13.343 7.008 -2.767 565 H TRP2084 H TRP2084 8.601 7.685 -0.131 566 HA TRP2084 HA TRP2084 9.042 10.462 -0.438 567 HB2 TRP2084 1HB TRP2084 6.961 8.567 -1.510 568 HB3 TRP2084 2HB TRP2084 7.014 10.278 -1.931 569 HD1 TRP2084 HD TRP2084 8.572 6.970 -2.861 570 HE1 TRP2084 1HE TRP2084 10.394 7.211 -4.756 571 HE3 TRP2084 3HE TRP2084 8.857 12.043 -2.673 572 HZ2 TRP2084 2HZ TRP2084 11.719 9.446 -5.937 573 HZ3 TRP2084 3HZ TRP2084 10.438 13.177 -4.231 574 HH2 TRP2084 HH TRP2084 11.839 11.961 -5.821 575 H CYS2085 H CYS2085 6.774 8.387 1.387 576 HA CYS2085 HA CYS2085 4.840 10.274 1.950 577 HB2 CYS2085 1HB CYS2085 4.242 8.118 2.496 578 HB3 CYS2085 2HB CYS2085 5.776 7.765 3.317 579 HG CYS2085 HG CYS2085 3.743 10.159 4.312 580 H ARG2086 H ARG2086 7.752 9.254 3.890 581 HA ARG2086 HA ARG2086 7.443 11.076 5.888 582 HB2 ARG2086 1HB ARG2086 9.956 9.866 4.660 583 HB3 ARG2086 2HB ARG2086 9.990 10.814 6.158 584 HG2 ARG2086 1HG ARG2086 9.365 8.998 7.332 585 HG3 ARG2086 2HG ARG2086 7.892 8.839 6.362 586 HD2 ARG2086 1HD ARG2086 8.928 6.802 5.916 587 HD3 ARG2086 2HD ARG2086 9.578 7.771 4.586 588 HE ARG2086 HE ARG2086 11.694 7.599 5.564 589 HH11 ARG2086 2HH2 ARG2086 9.255 6.818 8.011 590 HH12 ARG2086 1HH2 ARG2086 10.421 6.335 9.198 591 H LYS2087 H LYS2087 9.013 11.391 2.664 592 HA LYS2087 HA LYS2087 10.272 13.829 3.074 593 HB2 LYS2087 1HB LYS2087 9.191 12.441 0.628 594 HB3 LYS2087 2HB LYS2087 10.032 13.998 0.530 595 HG2 LYS2087 1HG LYS2087 12.030 13.041 1.523 596 HG3 LYS2087 2HG LYS2087 11.198 11.520 1.878 597 HD2 LYS2087 1HD LYS2087 11.980 10.785 -0.108 598 HD3 LYS2087 2HD LYS2087 10.806 11.866 -0.878 599 HE2 LYS2087 1HE LYS2087 12.537 12.991 -1.782 600 HE3 LYS2087 2HE LYS2087 13.019 13.502 -0.157 601 HZ1 LYS2087 2HZ LYS2087 14.711 12.018 -0.174 602 HZ3 LYS2087 1HZ LYS2087 14.510 11.939 -1.788 603 H TYR2088 H TYR2088 6.923 13.045 1.962 604 HA TYR2088 HA TYR2088 6.221 15.785 1.656 605 HB2 TYR2088 1HB TYR2088 4.988 14.141 0.408 606 HB3 TYR2088 2HB TYR2088 4.913 13.028 1.778 607 HD1 TYR2088 2HD TYR2088 3.389 15.959 0.164 608 HD2 TYR2088 1HD TYR2088 3.185 13.279 3.493 609 HE1 TYR2088 2HE TYR2088 1.040 16.780 0.690 610 HE2 TYR2088 1HE TYR2088 0.838 14.110 4.009 611 HH TYR2088 HH TYR2088 -0.562 15.889 3.632 612 H MET2089 H MET2089 6.041 13.364 4.286 613 HA MET2089 HA MET2089 4.223 14.774 5.851 614 HB2 MET2089 1HB MET2089 6.385 12.696 6.379 615 HB3 MET2089 2HB MET2089 5.417 13.337 7.718 616 HG2 MET2089 1HG MET2089 3.438 12.711 5.937 617 HG3 MET2089 2HG MET2089 4.637 11.494 5.491 618 HE1 MET2089 3HE MET2089 1.626 11.629 8.451 619 HE2 MET2089 1HE MET2089 1.800 11.808 6.688 620 HE3 MET2089 2HE MET2089 1.725 10.184 7.416 621 H LYS2090 H LYS2090 7.772 14.959 5.459 622 HA LYS2090 HA LYS2090 7.909 16.892 7.639 623 HB2 LYS2090 1HB LYS2090 9.627 14.863 6.662 624 HB3 LYS2090 2HB LYS2090 10.440 16.412 6.380 625 HG2 LYS2090 1HG LYS2090 9.121 15.749 9.032 626 HG3 LYS2090 2HG LYS2090 10.788 15.255 8.684 627 HD2 LYS2090 1HD LYS2090 11.475 17.307 9.300 628 HD3 LYS2090 2HD LYS2090 10.579 18.001 7.938 629 HE2 LYS2090 1HE LYS2090 8.771 18.596 9.262 630 HE3 LYS2090 2HE LYS2090 9.033 17.281 10.419 631 HZ1 LYS2090 2HZ LYS2090 9.774 19.874 10.793 632 HZ3 LYS2090 1HZ LYS2090 11.187 19.189 10.360 633 H SER2091 H SER2091 8.942 16.551 4.168 634 HA SER2091 HA SER2091 9.555 19.240 3.901 635 HB2 SER2091 1HB SER2091 10.141 17.200 2.402 636 HB3 SER2091 2HB SER2091 8.583 17.503 1.610 637 HG SER2091 HG SER2091 11.008 18.916 1.471 638 H GLY2092 H GLY2092 6.706 17.409 2.547 639 HA2 GLY2092 2HA GLY2092 4.482 18.096 2.772 640 HA3 GLY2092 3HA GLY2092 5.007 19.732 3.119 641 H ASN2093 H ASN2093 4.794 17.246 0.513 642 HA ASN2093 HA ASN2093 4.210 19.381 -1.317 643 HB2 ASN2093 1HB ASN2093 6.799 18.163 -1.224 644 HB3 ASN2093 2HB ASN2093 6.002 17.522 -2.668 645 HD21 ASN2093 1HD2 ASN2093 8.126 18.956 -3.147 646 HD22 ASN2093 2HD2 ASN2093 7.774 20.548 -3.726 647 H VAL2094 H VAL2094 2.229 18.607 -2.079 648 HA VAL2094 HA VAL2094 1.308 16.051 -1.890 649 HB VAL2094 HB VAL2094 0.696 18.379 -3.669 650 HG11 VAL2094 1HG1 VAL2094 0.330 16.362 -5.062 651 HG12 VAL2094 2HG1 VAL2094 -0.756 15.715 -3.808 652 HG13 VAL2094 3HG1 VAL2094 -1.186 17.210 -4.674 653 HG21 VAL2094 3HG2 VAL2094 -1.585 17.897 -2.415 654 HG22 VAL2094 1HG2 VAL2094 -0.519 17.025 -1.288 655 HG23 VAL2094 2HG2 VAL2094 -0.252 18.756 -1.605 656 H LYS2095 H LYS2095 3.412 17.509 -4.386 657 HA LYS2095 HA LYS2095 3.199 15.644 -6.370 658 HB2 LYS2095 1HB LYS2095 4.446 17.720 -6.553 659 HB3 LYS2095 2HB LYS2095 5.675 17.119 -5.427 660 HG2 LYS2095 1HG LYS2095 6.215 15.286 -6.992 661 HG3 LYS2095 2HG LYS2095 4.960 15.845 -8.112 662 HD2 LYS2095 1HD LYS2095 6.415 17.294 -9.032 663 HD3 LYS2095 2HD LYS2095 6.676 18.074 -7.463 664 HE2 LYS2095 1HE LYS2095 8.824 17.344 -7.807 665 HE3 LYS2095 2HE LYS2095 8.194 15.840 -7.116 666 HZ1 LYS2095 2HZ LYS2095 9.228 15.238 -9.135 667 HZ3 LYS2095 1HZ LYS2095 8.609 16.489 -9.973 668 H ASP2096 H ASP2096 5.379 15.554 -3.471 669 HA ASP2096 HA ASP2096 6.474 13.095 -4.114 670 HB2 ASP2096 1HB ASP2096 6.185 14.757 -1.621 671 HB3 ASP2096 2HB ASP2096 6.741 13.088 -1.436 672 HD2 ASP2096 HD ASP2096 9.830 14.607 -1.701 673 H LEU2097 H LEU2097 3.538 14.136 -2.328 674 HA LEU2097 HA LEU2097 2.945 11.666 -1.140 675 HB2 LEU2097 1HB LEU2097 1.998 13.636 -0.279 676 HB3 LEU2097 2HB LEU2097 1.293 14.085 -1.844 677 HG LEU2097 HG LEU2097 -0.356 12.366 -1.674 678 HD11 LEU2097 1HD1 LEU2097 1.532 11.182 0.215 679 HD12 LEU2097 2HD1 LEU2097 -0.149 11.147 0.797 680 HD13 LEU2097 3HD1 LEU2097 0.263 10.421 -0.776 681 HD21 LEU2097 3HD2 LEU2097 -0.936 12.981 1.001 682 HD22 LEU2097 1HD2 LEU2097 -0.040 14.383 0.370 683 HD23 LEU2097 2HD2 LEU2097 -1.510 13.822 -0.460 684 H THR2098 H THR2098 1.928 13.196 -4.258 685 HA THR2098 HA THR2098 0.225 11.131 -5.056 686 HB THR2098 HB THR2098 1.890 13.189 -6.595 687 HG1 THR2098 1HG THR2098 -0.155 14.299 -6.401 688 HG21 THR2098 3HG2 THR2098 1.027 11.257 -8.050 689 HG22 THR2098 1HG2 THR2098 -0.612 11.683 -7.504 690 HG23 THR2098 2HG2 THR2098 0.341 12.849 -8.450 691 H GLN2099 H GLN2099 3.770 11.580 -5.482 692 HA GLN2099 HA GLN2099 4.120 9.467 -7.211 693 HB2 GLN2099 1HB GLN2099 5.742 11.278 -5.682 694 HB3 GLN2099 2HB GLN2099 6.406 9.647 -5.483 695 HG2 GLN2099 1HG GLN2099 5.616 10.637 -8.227 696 HG3 GLN2099 2HG GLN2099 7.161 11.148 -7.530 697 HE21 GLN2099 1HE2 GLN2099 5.251 8.543 -8.797 698 HE22 GLN2099 2HE2 GLN2099 6.497 7.345 -8.924 699 H ALA2100 H ALA2100 4.192 9.589 -3.593 700 HA ALA2100 HA ALA2100 4.899 6.914 -3.218 701 HB1 ALA2100 3HB ALA2100 3.334 7.644 -1.031 702 HB2 ALA2100 1HB ALA2100 5.084 7.916 -1.203 703 HB3 ALA2100 2HB ALA2100 3.935 9.201 -1.649 704 H TRP2101 H TRP2101 1.723 8.567 -3.635 705 HA TRP2101 HA TRP2101 0.125 6.360 -3.040 706 HB2 TRP2101 1HB TRP2101 -0.178 9.021 -4.091 707 HB3 TRP2101 2HB TRP2101 -1.192 7.893 -4.994 708 HD1 TRP2101 HD TRP2101 -1.325 9.964 -1.959 709 HE1 TRP2101 1HE TRP2101 -3.271 9.309 -0.300 710 HE3 TRP2101 3HE TRP2101 -2.331 5.459 -4.088 711 HZ2 TRP2101 2HZ TRP2101 -4.973 7.031 -0.071 712 HZ3 TRP2101 3HZ TRP2101 -4.149 4.079 -3.086 713 HH2 TRP2101 HH TRP2101 -5.451 4.799 -1.146 714 H ASP2102 H ASP2102 1.750 7.502 -6.049 715 HA ASP2102 HA ASP2102 0.547 5.774 -7.796 716 HB2 ASP2102 1HB ASP2102 2.752 7.582 -7.766 717 HB3 ASP2102 2HB ASP2102 3.369 6.064 -8.434 718 HD2 ASP2102 HD ASP2102 1.941 8.320 -11.001 719 H LEU2103 H LEU2103 3.613 5.451 -5.860 720 HA LEU2103 HA LEU2103 4.383 2.962 -6.764 721 HB2 LEU2103 1HB LEU2103 4.837 4.582 -4.313 722 HB3 LEU2103 2HB LEU2103 5.355 2.887 -4.307 723 HG LEU2103 HG LEU2103 6.503 3.609 -6.590 724 HD11 LEU2103 1HD1 LEU2103 5.613 5.862 -6.663 725 HD12 LEU2103 2HD1 LEU2103 6.318 6.224 -5.071 726 HD13 LEU2103 3HD1 LEU2103 7.380 5.911 -6.464 727 HD21 LEU2103 3HD2 LEU2103 8.526 4.341 -5.138 728 HD22 LEU2103 1HD2 LEU2103 7.466 3.950 -3.762 729 HD23 LEU2103 2HD2 LEU2103 7.870 2.696 -4.958 730 H TYR2104 H TYR2104 2.343 3.796 -3.877 731 HA TYR2104 HA TYR2104 1.842 1.211 -3.061 732 HB2 TYR2104 1HB TYR2104 0.279 3.851 -3.104 733 HB3 TYR2104 2HB TYR2104 -0.357 2.442 -2.251 734 HD1 TYR2104 1HD TYR2104 2.232 1.379 -1.111 735 HD2 TYR2104 2HD TYR2104 0.671 5.355 -1.338 736 HE1 TYR2104 1HE TYR2104 3.585 2.036 0.938 737 HE2 TYR2104 2HE TYR2104 2.029 5.997 0.712 738 HH TYR2104 HH TYR2104 4.375 4.932 1.721 739 H TYR2105 H TYR2105 -0.263 3.309 -5.167 740 HA TYR2105 HA TYR2105 -2.215 1.476 -5.696 741 HB2 TYR2105 1HB TYR2105 -1.516 4.024 -6.427 742 HB3 TYR2105 2HB TYR2105 -1.056 3.194 -7.917 743 HD1 TYR2105 2HD TYR2105 -3.260 1.105 -7.941 744 HD2 TYR2105 1HD TYR2105 -3.345 5.313 -7.178 745 HE1 TYR2105 2HE TYR2105 -5.678 1.204 -8.720 746 HE2 TYR2105 1HE TYR2105 -5.764 5.398 -7.958 747 HH TYR2105 HH TYR2105 -7.459 4.283 -8.682 748 H HIS2106 H HIS2106 1.080 1.692 -7.063 749 HA HIS2106 HA HIS2106 0.627 0.014 -9.247 750 HB2 HIS2106 1HB HIS2106 2.699 1.540 -8.282 751 HB3 HIS2106 2HB HIS2106 3.312 -0.103 -8.063 752 HD1 HIS2106 1HD HIS2106 2.438 2.437 -10.677 753 HD2 HIS2106 2HD HIS2106 3.729 -1.549 -10.490 754 HE1 HIS2106 1HE HIS2106 3.193 1.819 -13.036 755 HE2 HIS2106 2HE HIS2106 3.977 -0.649 -12.865 756 H VAL2107 H VAL2107 1.942 -0.654 -5.929 757 HA VAL2107 HA VAL2107 2.105 -3.439 -6.381 758 HB VAL2107 HB VAL2107 2.847 -3.563 -4.200 759 HG11 VAL2107 1HG1 VAL2107 4.615 -2.240 -4.503 760 HG12 VAL2107 2HG1 VAL2107 3.711 -1.362 -5.762 761 HG13 VAL2107 3HG1 VAL2107 3.654 -0.804 -4.074 762 HG21 VAL2107 3HG2 VAL2107 1.436 -0.986 -3.453 763 HG22 VAL2107 1HG2 VAL2107 0.720 -2.602 -3.232 764 HG23 VAL2107 2HG2 VAL2107 2.213 -2.164 -2.369 765 H PHE2108 H PHE2108 -0.316 -1.260 -4.817 766 HA PHE2108 HA PHE2108 -1.997 -3.323 -3.951 767 HB2 PHE2108 1HB PHE2108 -2.128 -0.355 -4.574 768 HB3 PHE2108 2HB PHE2108 -3.656 -1.189 -4.274 769 HD1 PHE2108 1HD PHE2108 -0.283 -0.681 -2.768 770 HD2 PHE2108 2HD PHE2108 -4.412 -1.387 -2.094 771 HE1 PHE2108 1HE PHE2108 0.076 -0.420 -0.296 772 HE2 PHE2108 2HE PHE2108 -4.054 -1.127 0.377 773 HZ PHE2108 HZ PHE2108 -1.814 -0.647 1.246 774 H ARG2109 H ARG2109 -1.551 -1.715 -7.086 775 HA ARG2109 HA ARG2109 -4.050 -2.585 -8.083 776 HB2 ARG2109 1HB ARG2109 -3.089 -0.606 -9.056 777 HB3 ARG2109 2HB ARG2109 -1.548 -1.419 -9.386 778 HG2 ARG2109 1HG ARG2109 -2.779 -2.945 -10.971 779 HG3 ARG2109 2HG ARG2109 -4.239 -1.971 -10.721 780 HD2 ARG2109 1HD ARG2109 -1.902 -0.317 -11.372 781 HD3 ARG2109 2HD ARG2109 -2.221 -1.517 -12.632 782 HE ARG2109 HE ARG2109 -3.854 0.800 -11.963 783 HH11 ARG2109 2HH2 ARG2109 -3.979 -2.473 -13.314 784 HH12 ARG2109 1HH2 ARG2109 -5.423 -2.176 -14.225 785 H ARG2110 H ARG2110 -0.676 -3.761 -8.032 786 HA ARG2110 HA ARG2110 -0.999 -5.664 -10.041 787 HB2 ARG2110 1HB ARG2110 1.207 -4.852 -9.247 788 HB3 ARG2110 2HB ARG2110 0.939 -5.615 -7.670 789 HG2 ARG2110 1HG ARG2110 2.246 -7.208 -8.771 790 HG3 ARG2110 2HG ARG2110 0.612 -7.814 -9.096 791 HD2 ARG2110 1HD ARG2110 0.916 -6.140 -11.219 792 HD3 ARG2110 2HD ARG2110 2.611 -6.578 -10.957 793 HE ARG2110 HE ARG2110 0.818 -8.882 -10.930 794 HH11 ARG2110 2HH2 ARG2110 2.658 -6.713 -13.042 795 HH12 ARG2110 1HH2 ARG2110 2.761 -7.859 -14.337 796 H ILE2111 H ILE2111 -1.077 -5.855 -6.410 797 HA ILE2111 HA ILE2111 -1.439 -8.513 -6.063 798 HB ILE2111 HB ILE2111 -2.842 -7.818 -4.061 799 HG12 ILE2111 1HG1 ILE2111 -2.119 -5.050 -5.044 800 HG13 ILE2111 2HG1 ILE2111 -3.751 -5.742 -5.052 801 HG21 ILE2111 1HG2 ILE2111 -0.906 -6.893 -2.891 802 HG22 ILE2111 2HG2 ILE2111 -0.435 -8.236 -3.960 803 HG23 ILE2111 3HG2 ILE2111 -0.113 -6.555 -4.448 804 HD11 ILE2111 3HD1 ILE2111 -3.225 -6.163 -2.473 805 HD12 ILE2111 1HD1 ILE2111 -2.042 -4.857 -2.726 806 HD13 ILE2111 2HD1 ILE2111 -3.771 -4.564 -3.035 807 H SER2112 H SER2112 -3.834 -6.093 -7.189 808 HA SER2112 HA SER2112 -5.911 -8.052 -7.160 809 HB2 SER2112 1HB SER2112 -5.783 -5.254 -7.149 810 HB3 SER2112 2HB SER2112 -6.450 -5.639 -8.746 811 HG SER2112 HG SER2112 -8.101 -6.896 -7.682 812 H LYS2113 H LYS2113 -4.088 -6.143 -9.665 813 HA LYS2113 HA LYS2113 -5.174 -7.052 -11.937 814 HB2 LYS2113 1HB LYS2113 -2.673 -5.924 -11.113 815 HB3 LYS2113 2HB LYS2113 -2.373 -7.144 -12.364 816 HG2 LYS2113 1HG LYS2113 -4.609 -5.139 -12.701 817 HG3 LYS2113 2HG LYS2113 -2.942 -4.652 -13.052 818 HD2 LYS2113 1HD LYS2113 -3.678 -7.256 -14.222 819 HD3 LYS2113 2HD LYS2113 -4.682 -5.926 -14.821 820 HE2 LYS2113 1HE LYS2113 -2.633 -4.662 -15.422 821 HE3 LYS2113 2HE LYS2113 -1.625 -5.982 -14.811 822 HZ1 LYS2113 2HZ LYS2113 -1.951 -6.117 -17.226 823 HZ3 LYS2113 1HZ LYS2113 -3.567 -6.216 -17.049 824 H GLN2114 H GLN2114 -5.337 -8.922 -13.115 825 HA GLN2114 HA GLN2114 -3.620 -11.113 -12.395 826 HB2 GLN2114 1HB GLN2114 -5.581 -12.671 -12.146 827 HB3 GLN2114 2HB GLN2114 -5.434 -11.489 -10.835 828 HG2 GLN2114 1HG GLN2114 -7.230 -10.173 -11.696 829 HG3 GLN2114 2HG GLN2114 -7.193 -10.987 -13.268 830 HE21 GLN2114 1HE2 GLN2114 -9.509 -11.172 -12.791 831 HE22 GLN2114 2HE2 GLN2114 -10.084 -12.532 -11.887 Start of MODEL 28 1 H MET2014 H MET2014 -6.956 -15.769 -17.851 2 HA MET2014 HA MET2014 -9.141 -16.296 -15.989 3 HB2 MET2014 1HB MET2014 -7.332 -18.003 -17.680 4 HB3 MET2014 2HB MET2014 -7.766 -18.663 -16.092 5 HG2 MET2014 1HG MET2014 -9.977 -18.955 -16.685 6 HG3 MET2014 2HG MET2014 -10.013 -17.518 -17.709 7 HE1 MET2014 3HE MET2014 -9.950 -17.921 -20.557 8 HE2 MET2014 1HE MET2014 -8.532 -17.293 -19.686 9 HE3 MET2014 2HE MET2014 -8.329 -18.560 -20.919 10 H GLU2015 H GLU2015 -8.707 -16.237 -13.812 11 HA GLU2015 HA GLU2015 -5.876 -16.197 -13.101 12 HB2 GLU2015 1HB GLU2015 -6.423 -14.649 -11.286 13 HB3 GLU2015 2HB GLU2015 -6.951 -13.972 -12.836 14 HG2 GLU2015 1HG GLU2015 -8.988 -15.638 -11.482 15 HG3 GLU2015 2HG GLU2015 -8.525 -14.199 -10.561 16 HE2 GLU2015 HE GLU2015 -11.152 -13.654 -13.216 17 H LEU2016 H LEU2016 -8.748 -17.939 -12.978 18 HA LEU2016 HA LEU2016 -9.428 -19.689 -11.816 19 HB2 LEU2016 1HB LEU2016 -6.600 -19.748 -11.663 20 HB3 LEU2016 2HB LEU2016 -7.238 -20.278 -10.097 21 HG LEU2016 HG LEU2016 -6.804 -22.154 -11.603 22 HD11 LEU2016 1HD1 LEU2016 -9.776 -21.764 -11.166 23 HD12 LEU2016 2HD1 LEU2016 -8.912 -23.310 -11.352 24 HD13 LEU2016 3HD1 LEU2016 -8.614 -22.288 -9.924 25 HD21 LEU2016 3HD2 LEU2016 -7.277 -22.137 -13.772 26 HD22 LEU2016 1HD2 LEU2016 -8.999 -21.816 -13.448 27 HD23 LEU2016 2HD2 LEU2016 -7.851 -20.463 -13.586 28 H ILE2017 H ILE2017 -10.018 -20.460 -9.543 29 HA ILE2017 HA ILE2017 -11.283 -18.539 -8.157 30 HB ILE2017 HB ILE2017 -11.392 -21.051 -7.925 31 HG12 ILE2017 1HG1 ILE2017 -11.343 -19.660 -5.258 32 HG13 ILE2017 2HG1 ILE2017 -12.552 -19.253 -6.488 33 HG21 ILE2017 1HG2 ILE2017 -8.761 -20.704 -6.953 34 HG22 ILE2017 2HG2 ILE2017 -9.755 -21.225 -5.572 35 HG23 ILE2017 3HG2 ILE2017 -9.710 -22.205 -7.058 36 HD11 ILE2017 3HD1 ILE2017 -13.427 -20.965 -4.943 37 HD12 ILE2017 1HD1 ILE2017 -13.232 -21.657 -6.570 38 HD13 ILE2017 2HD1 ILE2017 -12.039 -22.021 -5.300 39 H ARG2018 H ARG2018 -10.888 -17.206 -6.327 40 HA ARG2018 HA ARG2018 -8.065 -16.949 -5.688 41 HB2 ARG2018 1HB ARG2018 -8.482 -15.074 -7.106 42 HB3 ARG2018 2HB ARG2018 -10.072 -14.766 -6.386 43 HG2 ARG2018 1HG ARG2018 -9.164 -13.442 -4.800 44 HG3 ARG2018 2HG ARG2018 -7.964 -14.669 -4.359 45 HD2 ARG2018 1HD ARG2018 -7.002 -12.477 -5.207 46 HD3 ARG2018 2HD ARG2018 -6.450 -13.905 -6.099 47 HE ARG2018 HE ARG2018 -7.651 -13.160 -7.985 48 HH11 ARG2018 2HH2 ARG2018 -8.544 -11.216 -5.161 49 HH12 ARG2018 1HH2 ARG2018 -9.410 -10.038 -6.090 50 H VAL2019 H VAL2019 -7.726 -17.168 -3.494 51 HA VAL2019 HA VAL2019 -9.582 -17.779 -1.666 52 HB VAL2019 HB VAL2019 -7.005 -16.237 -1.368 53 HG11 VAL2019 1HG1 VAL2019 -7.084 -16.356 0.936 54 HG12 VAL2019 2HG1 VAL2019 -8.794 -16.041 0.558 55 HG13 VAL2019 3HG1 VAL2019 -8.257 -17.695 0.939 56 HG21 VAL2019 3HG2 VAL2019 -6.026 -18.349 -0.806 57 HG22 VAL2019 1HG2 VAL2019 -7.619 -19.140 -0.744 58 HG23 VAL2019 2HG2 VAL2019 -6.966 -18.579 -2.302 59 HA PRO2020 HA PRO2020 -11.918 -14.216 -0.917 60 HB2 PRO2020 1HB PRO2020 -13.076 -14.890 1.463 61 HB3 PRO2020 2HB PRO2020 -13.671 -15.460 -0.093 62 HG2 PRO2020 1HG PRO2020 -12.094 -16.868 1.966 63 HG3 PRO2020 2HG PRO2020 -13.094 -17.569 0.641 64 HD2 PRO2020 1HD PRO2020 -10.243 -17.369 0.805 65 HD3 PRO2020 2HD PRO2020 -11.182 -17.920 -0.588 66 H ILE2021 H ILE2021 -10.795 -15.197 2.286 67 HA ILE2021 HA ILE2021 -10.055 -12.419 2.725 68 HB ILE2021 HB ILE2021 -9.850 -13.074 5.055 69 HG12 ILE2021 1HG1 ILE2021 -10.983 -15.616 5.195 70 HG13 ILE2021 2HG1 ILE2021 -9.744 -15.752 3.936 71 HG21 ILE2021 1HG2 ILE2021 -12.443 -14.327 4.412 72 HG22 ILE2021 2HG2 ILE2021 -12.063 -12.905 5.414 73 HG23 ILE2021 3HG2 ILE2021 -12.149 -12.750 3.643 74 HD11 ILE2021 3HD1 ILE2021 -8.474 -16.160 5.849 75 HD12 ILE2021 1HD1 ILE2021 -8.282 -14.396 5.709 76 HD13 ILE2021 2HD1 ILE2021 -9.460 -15.074 6.860 77 H LEU2022 H LEU2022 -8.017 -11.707 2.430 78 HA LEU2022 HA LEU2022 -5.794 -13.306 3.179 79 HB2 LEU2022 1HB LEU2022 -4.763 -13.352 0.919 80 HB3 LEU2022 2HB LEU2022 -6.110 -14.476 1.165 81 HG LEU2022 HG LEU2022 -5.822 -13.020 -1.042 82 HD11 LEU2022 1HD1 LEU2022 -8.115 -14.205 0.353 83 HD12 LEU2022 2HD1 LEU2022 -8.561 -12.978 -0.857 84 HD13 LEU2022 3HD1 LEU2022 -7.573 -14.381 -1.333 85 HD21 LEU2022 3HD2 LEU2022 -5.831 -10.841 -0.111 86 HD22 LEU2022 1HD2 LEU2022 -7.404 -11.057 -0.916 87 HD23 LEU2022 2HD2 LEU2022 -7.288 -11.178 0.856 88 H TRP2023 H TRP2023 -3.679 -12.062 2.440 89 HA TRP2023 HA TRP2023 -3.714 -9.595 3.586 90 HB2 TRP2023 1HB TRP2023 -1.889 -11.067 1.788 91 HB3 TRP2023 2HB TRP2023 -1.642 -9.323 1.881 92 HD1 TRP2023 HD TRP2023 -2.843 -10.894 5.116 93 HE1 TRP2023 1HE TRP2023 -0.928 -11.029 6.928 94 HE3 TRP2023 3HE TRP2023 0.950 -9.672 1.958 95 HZ2 TRP2023 2HZ TRP2023 1.894 -10.620 6.838 96 HZ3 TRP2023 3HZ TRP2023 3.256 -9.562 2.901 97 HH2 TRP2023 HH TRP2023 3.757 -10.012 5.251 98 H HIS2024 H HIS2024 -3.956 -10.441 0.060 99 HA HIS2024 HA HIS2024 -4.052 -7.976 -1.016 100 HB2 HIS2024 1HB HIS2024 -6.011 -10.066 -1.911 101 HB3 HIS2024 2HB HIS2024 -5.054 -8.942 -2.884 102 HD1 HIS2024 1HD HIS2024 -5.201 -12.199 -3.070 103 HD2 HIS2024 2HD HIS2024 -2.095 -9.862 -1.492 104 HE1 HIS2024 1HE HIS2024 -3.097 -13.634 -3.188 105 HE2 HIS2024 2HE HIS2024 -1.212 -12.150 -2.204 106 H GLU2025 H GLU2025 -6.393 -9.462 1.144 107 HA GLU2025 HA GLU2025 -8.556 -7.830 0.414 108 HB2 GLU2025 1HB GLU2025 -8.661 -10.031 1.656 109 HB3 GLU2025 2HB GLU2025 -8.083 -9.184 3.102 110 HG2 GLU2025 1HG GLU2025 -10.391 -9.085 3.401 111 HG3 GLU2025 2HG GLU2025 -10.102 -7.544 2.581 112 HE2 GLU2025 HE GLU2025 -11.834 -8.470 -0.242 113 H MET2026 H MET2026 -5.834 -7.547 2.724 114 HA MET2026 HA MET2026 -6.910 -5.337 4.082 115 HB2 MET2026 1HB MET2026 -5.228 -6.354 5.322 116 HB3 MET2026 2HB MET2026 -4.292 -6.808 3.887 117 HG2 MET2026 1HG MET2026 -4.537 -3.894 4.680 118 HG3 MET2026 2HG MET2026 -3.385 -4.930 5.528 119 HE1 MET2026 3HE MET2026 -1.071 -3.324 4.230 120 HE2 MET2026 1HE MET2026 -1.362 -4.834 5.123 121 HE3 MET2026 2HE MET2026 -0.454 -4.867 3.593 122 H TRP2027 H TRP2027 -4.756 -5.754 1.237 123 HA TRP2027 HA TRP2027 -3.985 -3.056 1.048 124 HB2 TRP2027 1HB TRP2027 -4.136 -5.216 -1.053 125 HB3 TRP2027 2HB TRP2027 -3.325 -3.661 -1.248 126 HD1 TRP2027 HD TRP2027 -3.048 -6.758 1.128 127 HE1 TRP2027 1HE TRP2027 -0.532 -7.176 1.806 128 HE3 TRP2027 3HE TRP2027 -1.173 -2.702 -1.296 129 HZ2 TRP2027 2HZ TRP2027 1.904 -5.795 1.266 130 HZ3 TRP2027 3HZ TRP2027 1.286 -2.307 -1.169 131 HH2 TRP2027 HH TRP2027 2.808 -3.774 0.055 132 H HIS2028 H HIS2028 -6.643 -5.040 -0.407 133 HA HIS2028 HA HIS2028 -7.675 -2.983 -1.981 134 HB2 HIS2028 1HB HIS2028 -8.299 -5.698 -1.305 135 HB3 HIS2028 2HB HIS2028 -9.776 -4.732 -1.214 136 HD1 HIS2028 1HD HIS2028 -10.950 -4.341 -3.395 137 HD2 HIS2028 2HD HIS2028 -6.913 -5.355 -3.922 138 HE1 HIS2028 1HE HIS2028 -10.592 -4.565 -5.910 139 HE2 HIS2028 2HE HIS2028 -8.090 -5.191 -6.182 140 H GLU2029 H GLU2029 -8.809 -4.269 1.229 141 HA GLU2029 HA GLU2029 -10.721 -2.307 1.572 142 HB2 GLU2029 1HB GLU2029 -9.208 -4.105 3.479 143 HB3 GLU2029 2HB GLU2029 -10.418 -2.958 4.078 144 HG2 GLU2029 1HG GLU2029 -11.341 -4.538 1.765 145 HG3 GLU2029 2HG GLU2029 -10.924 -5.544 3.159 146 HE2 GLU2029 HE GLU2029 -14.327 -3.705 3.136 147 H GLY2030 H GLY2030 -7.248 -2.461 2.526 148 HA2 GLY2030 2HA GLY2030 -7.060 -0.265 4.167 149 HA3 GLY2030 3HA GLY2030 -5.801 -0.836 3.089 150 H LEU2031 H LEU2031 -6.307 -0.263 0.604 151 HA LEU2031 HA LEU2031 -6.151 2.494 0.402 152 HB2 LEU2031 1HB LEU2031 -6.919 0.486 -1.709 153 HB3 LEU2031 2HB LEU2031 -6.328 2.131 -1.997 154 HG LEU2031 HG LEU2031 -4.867 -0.343 -1.217 155 HD11 LEU2031 1HD1 LEU2031 -4.262 0.068 -3.337 156 HD12 LEU2031 2HD1 LEU2031 -4.718 1.787 -3.248 157 HD13 LEU2031 3HD1 LEU2031 -3.146 1.249 -2.608 158 HD21 LEU2031 3HD2 LEU2031 -4.216 0.798 0.692 159 HD22 LEU2031 1HD2 LEU2031 -2.937 1.220 -0.470 160 HD23 LEU2031 2HD2 LEU2031 -4.236 2.383 -0.117 161 H GLU2032 H GLU2032 -8.938 0.288 0.419 162 HA GLU2032 HA GLU2032 -10.802 1.881 -0.758 163 HB2 GLU2032 1HB GLU2032 -10.746 -0.496 0.780 164 HB3 GLU2032 2HB GLU2032 -11.946 0.547 1.562 165 HG2 GLU2032 1HG GLU2032 -11.854 -0.172 -1.400 166 HG3 GLU2032 2HG GLU2032 -12.962 -0.878 -0.213 167 HE2 GLU2032 HE GLU2032 -15.110 1.792 -0.312 168 H GLU2033 H GLU2033 -9.897 1.742 2.761 169 HA GLU2033 HA GLU2033 -11.598 3.909 3.375 170 HB2 GLU2033 1HB GLU2033 -11.069 2.203 5.036 171 HB3 GLU2033 2HB GLU2033 -9.343 2.595 4.953 172 HG2 GLU2033 1HG GLU2033 -9.582 4.445 6.270 173 HG3 GLU2033 2HG GLU2033 -11.123 4.907 5.530 174 HE2 GLU2033 HE GLU2033 -11.540 3.717 9.012 175 H ALA2034 H ALA2034 -8.025 3.488 2.957 176 HA ALA2034 HA ALA2034 -7.232 6.031 3.630 177 HB1 ALA2034 3HB ALA2034 -5.366 5.495 1.894 178 HB2 ALA2034 1HB ALA2034 -5.557 4.410 3.292 179 HB3 ALA2034 2HB ALA2034 -6.203 3.936 1.704 180 H SER2035 H SER2035 -8.330 4.753 0.418 181 HA SER2035 HA SER2035 -7.967 7.125 -0.937 182 HB2 SER2035 1HB SER2035 -8.287 5.226 -2.268 183 HB3 SER2035 2HB SER2035 -9.711 4.690 -1.360 184 HG SER2035 HG SER2035 -9.476 6.571 -3.468 185 H ARG2036 H ARG2036 -10.869 5.754 0.749 186 HA ARG2036 HA ARG2036 -12.680 7.629 0.060 187 HB2 ARG2036 1HB ARG2036 -12.515 5.520 1.891 188 HB3 ARG2036 2HB ARG2036 -12.866 6.916 2.924 189 HG2 ARG2036 1HG ARG2036 -14.858 7.434 1.658 190 HG3 ARG2036 2HG ARG2036 -14.448 6.255 0.401 191 HD2 ARG2036 1HD ARG2036 -14.963 4.419 1.796 192 HD3 ARG2036 2HD ARG2036 -14.812 5.370 3.282 193 HE ARG2036 HE ARG2036 -17.192 5.026 1.707 194 HH11 ARG2036 2HH2 ARG2036 -15.464 7.515 3.544 195 HH12 ARG2036 1HH2 ARG2036 -16.897 8.421 3.902 196 H LEU2037 H LEU2037 -10.026 7.819 2.450 197 HA LEU2037 HA LEU2037 -10.954 10.205 3.678 198 HB2 LEU2037 1HB LEU2037 -8.239 8.896 3.629 199 HB3 LEU2037 2HB LEU2037 -8.708 10.242 4.681 200 HG LEU2037 HG LEU2037 -10.454 7.869 4.846 201 HD11 LEU2037 1HD1 LEU2037 -8.286 7.158 6.494 202 HD12 LEU2037 2HD1 LEU2037 -8.905 6.298 5.064 203 HD13 LEU2037 3HD1 LEU2037 -7.598 7.493 4.888 204 HD21 LEU2037 3HD2 LEU2037 -9.669 10.114 6.446 205 HD22 LEU2037 1HD2 LEU2037 -10.980 8.941 6.713 206 HD23 LEU2037 2HD2 LEU2037 -9.350 8.610 7.346 207 H TYR2038 H TYR2038 -8.479 9.433 1.150 208 HA TYR2038 HA TYR2038 -7.562 11.997 0.737 209 HB2 TYR2038 1HB TYR2038 -6.670 9.852 -0.222 210 HB3 TYR2038 2HB TYR2038 -8.145 9.646 -1.169 211 HD1 TYR2038 1HD TYR2038 -5.261 11.990 -0.696 212 HD2 TYR2038 2HD TYR2038 -8.218 10.436 -3.370 213 HE1 TYR2038 1HE TYR2038 -4.187 13.247 -2.627 214 HE2 TYR2038 2HE TYR2038 -7.132 11.698 -5.291 215 HH TYR2038 HH TYR2038 -4.116 12.850 -5.215 216 H PHE2039 H PHE2039 -10.215 10.266 -1.055 217 HA PHE2039 HA PHE2039 -10.909 12.629 -2.475 218 HB2 PHE2039 1HB PHE2039 -12.123 9.864 -1.960 219 HB3 PHE2039 2HB PHE2039 -12.949 11.042 -2.986 220 HD1 PHE2039 1HD PHE2039 -10.100 8.772 -2.692 221 HD2 PHE2039 2HD PHE2039 -12.049 11.607 -5.174 222 HE1 PHE2039 1HE PHE2039 -8.744 7.988 -4.652 223 HE2 PHE2039 2HE PHE2039 -10.693 10.823 -7.135 224 HZ PHE2039 HZ PHE2039 -9.056 9.022 -6.851 225 H GLY2040 H GLY2040 -11.938 11.045 0.547 226 HA2 GLY2040 2HA GLY2040 -14.441 12.085 0.950 227 HA3 GLY2040 3HA GLY2040 -13.264 11.780 2.212 228 H GLU2041 H GLU2041 -11.445 13.549 2.396 229 HA GLU2041 HA GLU2041 -12.443 16.147 1.636 230 HB2 GLU2041 1HB GLU2041 -12.060 16.986 4.003 231 HB3 GLU2041 2HB GLU2041 -13.482 15.951 3.791 232 HG2 GLU2041 1HG GLU2041 -11.139 14.335 4.376 233 HG3 GLU2041 2HG GLU2041 -11.314 15.595 5.608 234 HE2 GLU2041 HE GLU2041 -13.366 12.563 6.298 235 H ARG2042 H ARG2042 -10.372 15.094 0.343 236 HA ARG2042 HA ARG2042 -8.193 14.994 0.057 237 HB2 ARG2042 1HB ARG2042 -8.702 17.862 0.931 238 HB3 ARG2042 2HB ARG2042 -7.127 17.359 0.293 239 HG2 ARG2042 1HG ARG2042 -9.798 17.036 -1.141 240 HG3 ARG2042 2HG ARG2042 -8.634 18.334 -1.463 241 HD2 ARG2042 1HD ARG2042 -6.974 16.247 -1.771 242 HD3 ARG2042 2HD ARG2042 -8.483 15.400 -2.135 243 HE ARG2042 HE ARG2042 -8.643 16.613 -4.138 244 HH11 ARG2042 2HH2 ARG2042 -6.214 18.133 -2.053 245 HH12 ARG2042 1HH2 ARG2042 -5.657 19.218 -3.283 246 H ASN2043 H ASN2043 -8.780 13.907 2.623 247 HA ASN2043 HA ASN2043 -6.669 15.041 4.275 248 HB2 ASN2043 1HB ASN2043 -9.180 13.452 4.859 249 HB3 ASN2043 2HB ASN2043 -7.847 13.400 6.020 250 HD21 ASN2043 1HD2 ASN2043 -9.579 14.350 7.366 251 HD22 ASN2043 2HD2 ASN2043 -9.761 16.073 7.401 252 H VAL2044 H VAL2044 -4.894 13.911 3.215 253 HA VAL2044 HA VAL2044 -5.030 11.132 2.679 254 HB VAL2044 HB VAL2044 -2.645 11.380 2.194 255 HG11 VAL2044 1HG1 VAL2044 -3.489 12.022 0.224 256 HG12 VAL2044 2HG1 VAL2044 -4.789 12.955 1.005 257 HG13 VAL2044 3HG1 VAL2044 -3.194 13.700 0.741 258 HG21 VAL2044 3HG2 VAL2044 -2.669 13.378 4.105 259 HG22 VAL2044 1HG2 VAL2044 -1.336 13.025 2.978 260 HG23 VAL2044 2HG2 VAL2044 -2.528 14.286 2.581 261 H LYS2045 H LYS2045 -4.599 13.016 5.545 262 HA LYS2045 HA LYS2045 -2.788 11.565 6.998 263 HB2 LYS2045 1HB LYS2045 -4.392 12.269 8.951 264 HB3 LYS2045 2HB LYS2045 -3.476 13.487 8.046 265 HG2 LYS2045 1HG LYS2045 -6.112 12.770 6.882 266 HG3 LYS2045 2HG LYS2045 -6.200 13.558 8.467 267 HD2 LYS2045 1HD LYS2045 -4.349 14.735 6.421 268 HD3 LYS2045 2HD LYS2045 -6.087 14.948 6.151 269 HE2 LYS2045 1HE LYS2045 -6.278 16.431 7.871 270 HE3 LYS2045 2HE LYS2045 -5.226 15.489 8.938 271 HZ1 LYS2045 2HZ LYS2045 -3.427 16.682 8.265 272 HZ3 LYS2045 1HZ LYS2045 -4.509 17.810 7.810 273 H GLY2046 H GLY2046 -6.291 10.906 6.424 274 HA2 GLY2046 2HA GLY2046 -6.645 8.765 8.121 275 HA3 GLY2046 3HA GLY2046 -7.470 8.999 6.594 276 H MET2047 H MET2047 -5.598 8.689 4.633 277 HA MET2047 HA MET2047 -5.325 5.991 4.440 278 HB2 MET2047 1HB MET2047 -5.152 7.321 2.461 279 HB3 MET2047 2HB MET2047 -3.888 8.355 3.151 280 HG2 MET2047 1HG MET2047 -3.331 5.408 2.827 281 HG3 MET2047 2HG MET2047 -3.306 6.423 1.382 282 HE1 MET2047 3HE MET2047 -0.788 8.935 1.762 283 HE2 MET2047 1HE MET2047 -2.566 8.820 1.740 284 HE3 MET2047 2HE MET2047 -1.727 9.359 3.213 285 H PHE2048 H PHE2048 -2.786 8.423 5.360 286 HA PHE2048 HA PHE2048 -0.681 6.706 5.657 287 HB2 PHE2048 1HB PHE2048 -1.656 9.208 7.126 288 HB3 PHE2048 2HB PHE2048 -0.085 8.498 7.515 289 HD1 PHE2048 2HD PHE2048 0.708 7.697 4.712 290 HD2 PHE2048 1HD PHE2048 -0.993 11.272 6.237 291 HE1 PHE2048 2HE PHE2048 1.740 8.991 2.825 292 HE2 PHE2048 1HE PHE2048 0.039 12.568 4.351 293 HZ PHE2048 HZ PHE2048 1.394 11.412 2.667 294 H GLU2049 H GLU2049 -3.342 7.451 7.971 295 HA GLU2049 HA GLU2049 -2.138 5.905 10.018 296 HB2 GLU2049 1HB GLU2049 -4.989 6.939 9.757 297 HB3 GLU2049 2HB GLU2049 -4.239 6.340 11.249 298 HG2 GLU2049 1HG GLU2049 -2.684 8.175 11.296 299 HG3 GLU2049 2HG GLU2049 -3.105 8.673 9.650 300 HE2 GLU2049 HE GLU2049 -5.958 10.352 10.654 301 H VAL2050 H VAL2050 -3.925 5.201 7.161 302 HA VAL2050 HA VAL2050 -5.127 2.797 8.235 303 HB VAL2050 HB VAL2050 -5.173 4.277 5.627 304 HG11 VAL2050 1HG1 VAL2050 -6.305 1.489 6.034 305 HG12 VAL2050 2HG1 VAL2050 -6.444 2.497 4.574 306 HG13 VAL2050 3HG1 VAL2050 -4.855 1.874 5.079 307 HG21 VAL2050 3HG2 VAL2050 -6.774 4.336 7.872 308 HG22 VAL2050 1HG2 VAL2050 -7.244 4.891 6.248 309 HG23 VAL2050 2HG2 VAL2050 -7.668 3.248 6.785 310 H LEU2051 H LEU2051 -2.473 3.823 6.021 311 HA LEU2051 HA LEU2051 -1.736 1.111 5.480 312 HB2 LEU2051 1HB LEU2051 0.084 3.402 4.968 313 HB3 LEU2051 2HB LEU2051 -0.257 1.973 3.979 314 HG LEU2051 HG LEU2051 -1.723 4.580 4.171 315 HD11 LEU2051 1HD1 LEU2051 -1.535 4.621 1.833 316 HD12 LEU2051 2HD1 LEU2051 0.028 3.991 2.408 317 HD13 LEU2051 3HD1 LEU2051 -1.190 2.878 1.738 318 HD21 LEU2051 3HD2 LEU2051 -3.474 3.166 2.686 319 HD22 LEU2051 1HD2 LEU2051 -2.980 1.915 3.853 320 HD23 LEU2051 2HD2 LEU2051 -3.660 3.453 4.434 321 H GLU2052 H GLU2052 -0.687 3.763 7.662 322 HA GLU2052 HA GLU2052 1.668 2.891 8.525 323 HB2 GLU2052 1HB GLU2052 -0.538 4.441 9.637 324 HB3 GLU2052 2HB GLU2052 0.347 3.591 10.916 325 HG2 GLU2052 1HG GLU2052 2.055 4.876 8.857 326 HG3 GLU2052 2HG GLU2052 1.096 6.011 9.817 327 HE2 GLU2052 HE GLU2052 4.318 5.129 11.435 328 HA PRO2053 HA PRO2053 -0.374 -0.280 11.395 329 HB2 PRO2053 1HB PRO2053 -3.064 -0.734 11.250 330 HB3 PRO2053 2HB PRO2053 -2.334 0.355 12.424 331 HG2 PRO2053 1HG PRO2053 -3.797 0.956 9.935 332 HG3 PRO2053 2HG PRO2053 -3.488 2.035 11.344 333 HD2 PRO2053 1HD PRO2053 -2.222 2.053 8.776 334 HD3 PRO2053 2HD PRO2053 -1.770 3.028 10.181 335 H LEU2054 H LEU2054 -2.326 -0.257 8.450 336 HA LEU2054 HA LEU2054 -2.439 -2.954 8.062 337 HB2 LEU2054 1HB LEU2054 -2.382 -0.593 6.235 338 HB3 LEU2054 2HB LEU2054 -2.409 -2.231 5.560 339 HG LEU2054 HG LEU2054 -4.493 -0.844 7.249 340 HD11 LEU2054 1HD1 LEU2054 -5.840 -1.893 5.191 341 HD12 LEU2054 2HD1 LEU2054 -5.058 -0.298 5.122 342 HD13 LEU2054 3HD1 LEU2054 -4.248 -1.715 4.416 343 HD21 LEU2054 3HD2 LEU2054 -4.806 -2.828 8.266 344 HD22 LEU2054 1HD2 LEU2054 -5.625 -3.254 6.744 345 HD23 LEU2054 2HD2 LEU2054 -3.932 -3.736 7.010 346 H HIS2055 H HIS2055 0.120 -0.685 6.833 347 HA HIS2055 HA HIS2055 1.687 -2.698 5.732 348 HB2 HIS2055 1HB HIS2055 2.299 0.094 6.701 349 HB3 HIS2055 2HB HIS2055 3.519 -0.933 5.938 350 HD1 HIS2055 1HD HIS2055 2.668 1.731 4.621 351 HD2 HIS2055 2HD HIS2055 0.934 -1.985 3.738 352 HE1 HIS2055 1HE HIS2055 1.642 1.957 2.297 353 HE2 HIS2055 2HE HIS2055 0.584 -0.358 1.800 354 H ALA2056 H ALA2056 1.936 -0.994 8.931 355 HA ALA2056 HA ALA2056 4.117 -2.308 9.916 356 HB1 ALA2056 3HB ALA2056 1.591 -1.380 11.341 357 HB2 ALA2056 1HB ALA2056 3.123 -1.787 12.149 358 HB3 ALA2056 2HB ALA2056 3.050 -0.412 11.022 359 H MET2057 H MET2057 0.640 -3.324 10.042 360 HA MET2057 HA MET2057 0.970 -5.573 11.532 361 HB2 MET2057 1HB MET2057 -1.258 -5.685 11.057 362 HB3 MET2057 2HB MET2057 -1.038 -4.353 9.910 363 HG2 MET2057 1HG MET2057 -0.520 -5.985 8.116 364 HG3 MET2057 2HG MET2057 -0.679 -7.320 9.261 365 HE1 MET2057 3HE MET2057 -3.829 -6.904 6.648 366 HE2 MET2057 1HE MET2057 -2.188 -6.256 6.416 367 HE3 MET2057 2HE MET2057 -2.413 -7.930 6.979 368 H MET2058 H MET2058 1.527 -5.082 8.014 369 HA MET2058 HA MET2058 1.893 -7.814 7.477 370 HB2 MET2058 1HB MET2058 2.777 -5.257 6.044 371 HB3 MET2058 2HB MET2058 2.924 -6.871 5.325 372 HG2 MET2058 1HG MET2058 0.233 -6.529 6.331 373 HG3 MET2058 2HG MET2058 0.640 -5.126 5.337 374 HE1 MET2058 3HE MET2058 -1.126 -8.379 5.052 375 HE2 MET2058 1HE MET2058 -1.625 -6.740 4.567 376 HE3 MET2058 2HE MET2058 -1.425 -8.011 3.336 377 H GLU2059 H GLU2059 3.957 -5.227 8.726 378 HA GLU2059 HA GLU2059 6.374 -6.561 8.074 379 HB2 GLU2059 1HB GLU2059 5.933 -4.346 10.108 380 HB3 GLU2059 2HB GLU2059 7.457 -4.767 9.310 381 HG2 GLU2059 1HG GLU2059 5.023 -3.372 8.205 382 HG3 GLU2059 2HG GLU2059 6.729 -2.929 8.040 383 HE2 GLU2059 HE GLU2059 5.001 -5.385 5.438 384 H ARG2060 H ARG2060 4.781 -5.748 11.250 385 HA ARG2060 HA ARG2060 6.408 -7.616 12.588 386 HB2 ARG2060 1HB ARG2060 5.017 -7.046 14.562 387 HB3 ARG2060 2HB ARG2060 5.512 -5.577 13.702 388 HG2 ARG2060 1HG ARG2060 3.286 -5.627 12.510 389 HG3 ARG2060 2HG ARG2060 2.801 -6.973 13.554 390 HD2 ARG2060 1HD ARG2060 3.904 -4.692 15.056 391 HD3 ARG2060 2HD ARG2060 2.473 -4.249 14.114 392 HE ARG2060 HE ARG2060 1.800 -6.658 15.361 393 HH11 ARG2060 2HH2 ARG2060 2.863 -3.467 16.478 394 HH12 ARG2060 1HH2 ARG2060 2.030 -3.585 17.993 395 H GLY2061 H GLY2061 3.402 -7.744 10.816 396 HA2 GLY2061 2HA GLY2061 2.777 -10.387 11.990 397 HA3 GLY2061 3HA GLY2061 1.591 -9.280 11.330 398 HA PRO2062 HA PRO2062 4.065 -11.140 7.717 399 HB2 PRO2062 1HB PRO2062 5.672 -13.291 8.215 400 HB3 PRO2062 2HB PRO2062 6.278 -11.639 8.104 401 HG2 PRO2062 1HG PRO2062 5.793 -13.326 10.476 402 HG3 PRO2062 2HG PRO2062 6.839 -11.867 10.331 403 HD2 PRO2062 1HD PRO2062 4.260 -12.095 11.559 404 HD3 PRO2062 2HD PRO2062 5.179 -10.606 11.300 405 H GLN2063 H GLN2063 4.421 -13.760 6.825 406 HA GLN2063 HA GLN2063 1.993 -15.031 7.762 407 HB2 GLN2063 1HB GLN2063 2.203 -13.627 5.282 408 HB3 GLN2063 2HB GLN2063 2.119 -15.356 4.899 409 HG2 GLN2063 1HG GLN2063 0.231 -14.315 6.982 410 HG3 GLN2063 2HG GLN2063 -0.083 -13.826 5.310 411 HE21 GLN2063 1HE2 GLN2063 -0.256 -16.278 7.666 412 HE22 GLN2063 2HE2 GLN2063 -0.893 -17.563 6.696 413 H THR2064 H THR2064 4.574 -15.343 5.207 414 HA THR2064 HA THR2064 5.914 -17.448 6.405 415 HB THR2064 HB THR2064 3.938 -18.831 6.208 416 HG1 THR2064 1HG THR2064 5.370 -20.248 5.291 417 HG21 THR2064 3HG2 THR2064 2.740 -19.135 4.073 418 HG22 THR2064 1HG2 THR2064 2.715 -17.408 4.498 419 HG23 THR2064 2HG2 THR2064 3.845 -18.005 3.259 420 H LEU2065 H LEU2065 7.335 -18.659 4.742 421 HA LEU2065 HA LEU2065 8.766 -16.789 3.340 422 HB2 LEU2065 1HB LEU2065 9.144 -19.317 4.058 423 HB3 LEU2065 2HB LEU2065 8.754 -19.589 2.350 424 HG LEU2065 HG LEU2065 11.171 -19.456 2.769 425 HD11 LEU2065 1HD1 LEU2065 11.432 -18.644 0.719 426 HD12 LEU2065 2HD1 LEU2065 9.720 -18.162 0.762 427 HD13 LEU2065 3HD1 LEU2065 10.983 -17.003 1.240 428 HD21 LEU2065 3HD2 LEU2065 12.188 -17.873 3.974 429 HD22 LEU2065 1HD2 LEU2065 11.264 -16.560 3.209 430 HD23 LEU2065 2HD2 LEU2065 10.560 -17.470 4.566 431 H LYS2066 H LYS2066 5.816 -18.517 2.448 432 HA LYS2066 HA LYS2066 6.053 -18.056 -0.338 433 HB2 LYS2066 1HB LYS2066 4.689 -19.837 0.768 434 HB3 LYS2066 2HB LYS2066 3.541 -18.584 1.270 435 HG2 LYS2066 1HG LYS2066 3.084 -18.000 -1.044 436 HG3 LYS2066 2HG LYS2066 4.376 -19.065 -1.626 437 HD2 LYS2066 1HD LYS2066 3.111 -21.003 -0.586 438 HD3 LYS2066 2HD LYS2066 1.776 -19.886 -0.254 439 HE2 LYS2066 1HE LYS2066 1.016 -20.262 -2.342 440 HE3 LYS2066 2HE LYS2066 2.476 -19.503 -2.991 441 HZ1 LYS2066 2HZ LYS2066 1.762 -22.173 -3.187 442 HZ3 LYS2066 1HZ LYS2066 3.025 -22.158 -2.163 443 H GLU2067 H GLU2067 4.776 -16.236 2.457 444 HA GLU2067 HA GLU2067 3.639 -14.272 0.699 445 HB2 GLU2067 1HB GLU2067 3.559 -14.908 3.595 446 HB3 GLU2067 2HB GLU2067 3.474 -13.179 3.216 447 HG2 GLU2067 1HG GLU2067 1.690 -15.347 2.027 448 HG3 GLU2067 2HG GLU2067 1.214 -14.249 3.331 449 HE2 GLU2067 HE GLU2067 0.352 -13.062 -0.132 450 H THR2068 H THR2068 6.668 -14.960 2.251 451 HA THR2068 HA THR2068 7.617 -12.386 2.760 452 HB THR2068 HB THR2068 8.958 -15.027 1.993 453 HG1 THR2068 1HG THR2068 9.206 -14.983 4.346 454 HG21 THR2068 3HG2 THR2068 10.607 -13.241 1.581 455 HG22 THR2068 1HG2 THR2068 10.146 -12.426 3.093 456 HG23 THR2068 2HG2 THR2068 10.975 -14.002 3.148 457 H SER2069 H SER2069 7.163 -14.148 -0.274 458 HA SER2069 HA SER2069 8.893 -12.456 -1.728 459 HB2 SER2069 1HB SER2069 7.934 -13.556 -3.707 460 HB3 SER2069 2HB SER2069 8.342 -14.755 -2.468 461 HG SER2069 HG SER2069 5.833 -13.964 -3.499 462 H PHE2070 H PHE2070 5.433 -12.499 -0.844 463 HA PHE2070 HA PHE2070 4.578 -10.593 -2.717 464 HB2 PHE2070 1HB PHE2070 3.078 -12.107 -1.455 465 HB3 PHE2070 2HB PHE2070 3.662 -11.468 0.085 466 HD1 PHE2070 2HD PHE2070 2.978 -9.203 0.803 467 HD2 PHE2070 1HD PHE2070 1.389 -10.989 -2.703 468 HE1 PHE2070 2HE PHE2070 1.109 -7.529 0.796 469 HE2 PHE2070 1HE PHE2070 -0.480 -9.314 -2.710 470 HZ PHE2070 HZ PHE2070 -0.598 -7.603 -0.960 471 H ASN2071 H ASN2071 5.701 -10.338 0.717 472 HA ASN2071 HA ASN2071 5.261 -7.567 0.801 473 HB2 ASN2071 1HB ASN2071 5.454 -9.200 2.778 474 HB3 ASN2071 2HB ASN2071 7.205 -9.177 2.529 475 HD21 ASN2071 1HD2 ASN2071 8.234 -7.863 3.806 476 HD22 ASN2071 2HD2 ASN2071 7.677 -6.351 4.444 477 H GLN2072 H GLN2072 7.864 -9.734 -0.256 478 HA GLN2072 HA GLN2072 9.875 -7.727 -0.159 479 HB2 GLN2072 1HB GLN2072 9.673 -10.581 -1.043 480 HB3 GLN2072 2HB GLN2072 10.998 -9.617 -1.718 481 HG2 GLN2072 1HG GLN2072 11.424 -8.916 0.768 482 HG3 GLN2072 2HG GLN2072 10.429 -10.322 1.180 483 HE21 GLN2072 1HE2 GLN2072 12.946 -10.277 2.054 484 HE22 GLN2072 2HE2 GLN2072 13.963 -11.385 1.196 485 H ALA2073 H ALA2073 8.076 -9.467 -2.799 486 HA ALA2073 HA ALA2073 9.110 -8.311 -4.987 487 HB1 ALA2073 3HB ALA2073 6.928 -8.686 -6.032 488 HB2 ALA2073 1HB ALA2073 7.293 -10.014 -4.907 489 HB3 ALA2073 2HB ALA2073 6.145 -8.739 -4.434 490 H TYR2074 H TYR2074 6.736 -6.842 -2.701 491 HA TYR2074 HA TYR2074 6.917 -4.345 -4.213 492 HB2 TYR2074 1HB TYR2074 5.245 -5.224 -1.786 493 HB3 TYR2074 2HB TYR2074 4.932 -3.797 -2.780 494 HD1 TYR2074 2HD TYR2074 5.153 -4.862 -5.514 495 HD2 TYR2074 1HD TYR2074 3.393 -6.611 -2.027 496 HE1 TYR2074 2HE TYR2074 3.604 -6.246 -6.980 497 HE2 TYR2074 1HE TYR2074 1.850 -7.989 -3.503 498 HH TYR2074 HH TYR2074 1.745 -7.470 -6.976 499 H GLY2075 H GLY2075 8.135 -5.960 -1.372 500 HA2 GLY2075 2HA GLY2075 8.438 -4.118 0.558 501 HA3 GLY2075 3HA GLY2075 9.701 -5.244 0.102 502 H ARG2076 H ARG2076 9.945 -4.059 -2.680 503 HA ARG2076 HA ARG2076 11.830 -2.086 -1.940 504 HB2 ARG2076 1HB ARG2076 11.704 -3.861 -3.975 505 HB3 ARG2076 2HB ARG2076 11.032 -2.453 -4.820 506 HG2 ARG2076 1HG ARG2076 13.142 -1.258 -3.658 507 HG3 ARG2076 2HG ARG2076 13.795 -2.904 -3.720 508 HD2 ARG2076 1HD ARG2076 12.530 -1.593 -6.151 509 HD3 ARG2076 2HD ARG2076 14.237 -1.327 -5.753 510 HE ARG2076 HE ARG2076 13.496 -4.151 -5.776 511 HH11 ARG2076 2HH2 ARG2076 14.496 -1.439 -7.825 512 HH12 ARG2076 1HH2 ARG2076 15.142 -2.456 -9.070 513 H ASP2077 H ASP2077 8.692 -2.183 -3.748 514 HA ASP2077 HA ASP2077 8.677 0.478 -4.471 515 HB2 ASP2077 1HB ASP2077 6.335 -1.357 -3.808 516 HB3 ASP2077 2HB ASP2077 6.207 0.154 -4.723 517 HD2 ASP2077 HD ASP2077 7.439 -1.261 -7.639 518 H LEU2078 H LEU2078 6.972 -1.262 -1.751 519 HA LEU2078 HA LEU2078 5.854 0.924 -0.533 520 HB2 LEU2078 1HB LEU2078 6.795 -1.744 0.438 521 HB3 LEU2078 2HB LEU2078 6.131 -0.558 1.576 522 HG LEU2078 HG LEU2078 4.054 -0.506 0.165 523 HD11 LEU2078 1HD1 LEU2078 3.833 -2.710 -1.246 524 HD12 LEU2078 2HD1 LEU2078 4.563 -1.246 -1.948 525 HD13 LEU2078 3HD1 LEU2078 5.603 -2.567 -1.362 526 HD21 LEU2078 3HD2 LEU2078 4.577 -2.013 2.249 527 HD22 LEU2078 1HD2 LEU2078 3.089 -2.254 1.304 528 HD23 LEU2078 2HD2 LEU2078 4.481 -3.334 1.061 529 H MET2079 H MET2079 9.162 -0.470 -0.128 530 HA MET2079 HA MET2079 9.992 1.058 1.947 531 HB2 MET2079 1HB MET2079 11.200 -0.366 -0.364 532 HB3 MET2079 2HB MET2079 12.240 0.914 0.285 533 HG2 MET2079 1HG MET2079 10.981 -1.345 1.912 534 HG3 MET2079 2HG MET2079 12.662 -1.304 1.371 535 HE1 MET2079 3HE MET2079 14.250 1.525 3.387 536 HE2 MET2079 1HE MET2079 14.544 -0.042 2.597 537 HE3 MET2079 2HE MET2079 13.840 1.304 1.670 538 H GLU2080 H GLU2080 10.170 1.864 -1.589 539 HA GLU2080 HA GLU2080 11.291 4.392 -1.080 540 HB2 GLU2080 1HB GLU2080 11.660 3.243 -3.196 541 HB3 GLU2080 2HB GLU2080 9.924 3.243 -3.551 542 HG2 GLU2080 1HG GLU2080 9.886 5.553 -3.970 543 HG3 GLU2080 2HG GLU2080 11.350 5.861 -3.024 544 HE2 GLU2080 HE GLU2080 11.920 5.831 -6.716 545 H ALA2081 H ALA2081 7.971 3.217 -1.933 546 HA ALA2081 HA ALA2081 6.723 5.660 -2.129 547 HB1 ALA2081 3HB ALA2081 5.192 3.504 -0.785 548 HB2 ALA2081 1HB ALA2081 4.852 4.379 -2.299 549 HB3 ALA2081 2HB ALA2081 6.003 3.020 -2.294 550 H GLN2082 H GLN2082 7.505 3.675 0.778 551 HA GLN2082 HA GLN2082 6.098 5.273 2.560 552 HB2 GLN2082 1HB GLN2082 6.787 3.039 3.168 553 HB3 GLN2082 2HB GLN2082 8.498 3.438 2.943 554 HG2 GLN2082 1HG GLN2082 8.640 4.206 5.057 555 HG3 GLN2082 2HG GLN2082 7.289 5.318 4.800 556 HE21 GLN2082 1HE2 GLN2082 6.067 5.074 6.532 557 HE22 GLN2082 2HE2 GLN2082 5.396 3.588 7.120 558 H GLU2083 H GLU2083 9.453 5.409 1.274 559 HA GLU2083 HA GLU2083 10.439 7.272 3.038 560 HB2 GLU2083 1HB GLU2083 12.268 6.897 1.806 561 HB3 GLU2083 2HB GLU2083 11.289 5.970 0.655 562 HG2 GLU2083 1HG GLU2083 10.797 8.014 -0.611 563 HG3 GLU2083 2HG GLU2083 11.660 9.001 0.580 564 HE2 GLU2083 HE GLU2083 13.713 6.733 -2.017 565 H TRP2084 H TRP2084 8.502 7.648 0.036 566 HA TRP2084 HA TRP2084 8.772 10.471 -0.062 567 HB2 TRP2084 1HB TRP2084 6.812 8.565 -1.338 568 HB3 TRP2084 2HB TRP2084 6.875 10.297 -1.675 569 HD1 TRP2084 HD TRP2084 8.594 7.033 -2.582 570 HE1 TRP2084 1HE TRP2084 10.469 7.372 -4.407 571 HE3 TRP2084 3HE TRP2084 8.605 12.113 -2.378 572 HZ2 TRP2084 2HZ TRP2084 11.719 9.676 -5.536 573 HZ3 TRP2084 3HZ TRP2084 10.182 13.332 -3.876 574 HH2 TRP2084 HH TRP2084 11.702 12.194 -5.417 575 H CYS2085 H CYS2085 6.665 8.109 1.574 576 HA CYS2085 HA CYS2085 4.620 9.924 2.224 577 HB2 CYS2085 1HB CYS2085 4.046 7.656 2.302 578 HB3 CYS2085 2HB CYS2085 5.440 7.227 3.310 579 HG CYS2085 HG CYS2085 3.359 9.533 4.332 580 H ARG2086 H ARG2086 7.324 8.463 4.189 581 HA ARG2086 HA ARG2086 6.905 10.102 6.366 582 HB2 ARG2086 1HB ARG2086 9.298 9.446 6.961 583 HB3 ARG2086 2HB ARG2086 8.222 8.082 6.611 584 HG2 ARG2086 1HG ARG2086 9.216 8.648 4.111 585 HG3 ARG2086 2HG ARG2086 10.602 9.080 5.125 586 HD2 ARG2086 1HD ARG2086 9.761 6.677 6.236 587 HD3 ARG2086 2HD ARG2086 9.449 6.419 4.510 588 HE ARG2086 HE ARG2086 11.972 7.469 4.473 589 HH11 ARG2086 2HH2 ARG2086 10.561 4.864 6.417 590 HH12 ARG2086 1HH2 ARG2086 12.057 4.008 6.583 591 H LYS2087 H LYS2087 8.820 10.492 3.367 592 HA LYS2087 HA LYS2087 10.316 12.717 4.246 593 HB2 LYS2087 1HB LYS2087 11.105 11.384 2.438 594 HB3 LYS2087 2HB LYS2087 9.628 11.656 1.494 595 HG2 LYS2087 1HG LYS2087 10.836 14.182 2.314 596 HG3 LYS2087 2HG LYS2087 12.011 13.186 1.436 597 HD2 LYS2087 1HD LYS2087 9.480 13.012 0.083 598 HD3 LYS2087 2HD LYS2087 9.817 14.725 0.383 599 HE2 LYS2087 1HE LYS2087 12.100 13.073 -0.610 600 HE3 LYS2087 2HE LYS2087 10.787 13.348 -1.765 601 HZ1 LYS2087 2HZ LYS2087 12.789 15.100 -1.249 602 HZ3 LYS2087 1HZ LYS2087 11.590 15.720 -0.338 603 H TYR2088 H TYR2088 7.046 12.261 2.937 604 HA TYR2088 HA TYR2088 6.689 15.043 2.349 605 HB2 TYR2088 1HB TYR2088 5.347 13.529 1.086 606 HB3 TYR2088 2HB TYR2088 5.136 12.430 2.454 607 HD1 TYR2088 2HD TYR2088 3.668 13.378 4.435 608 HD2 TYR2088 1HD TYR2088 3.585 14.886 0.433 609 HE1 TYR2088 2HE TYR2088 1.366 14.375 4.851 610 HE2 TYR2088 1HE TYR2088 1.283 15.876 0.861 611 HH TYR2088 HH TYR2088 -0.691 14.984 3.002 612 H MET2089 H MET2089 6.113 12.835 5.096 613 HA MET2089 HA MET2089 4.364 14.597 6.423 614 HB2 MET2089 1HB MET2089 6.097 12.242 7.320 615 HB3 MET2089 2HB MET2089 4.947 13.044 8.404 616 HG2 MET2089 1HG MET2089 3.333 12.561 6.251 617 HG3 MET2089 2HG MET2089 4.449 11.204 6.095 618 HE1 MET2089 3HE MET2089 1.022 10.440 7.364 619 HE2 MET2089 1HE MET2089 0.949 11.844 8.455 620 HE3 MET2089 2HE MET2089 1.473 12.056 6.768 621 H LYS2090 H LYS2090 7.902 14.131 6.323 622 HA LYS2090 HA LYS2090 8.277 15.938 8.554 623 HB2 LYS2090 1HB LYS2090 9.654 13.756 7.633 624 HB3 LYS2090 2HB LYS2090 10.641 15.095 7.025 625 HG2 LYS2090 1HG LYS2090 9.642 15.044 9.886 626 HG3 LYS2090 2HG LYS2090 11.119 14.178 9.428 627 HD2 LYS2090 1HD LYS2090 12.305 16.117 9.106 628 HD3 LYS2090 2HD LYS2090 10.904 17.011 8.488 629 HE2 LYS2090 1HE LYS2090 10.698 17.990 10.509 630 HE3 LYS2090 2HE LYS2090 10.343 16.409 11.223 631 HZ1 LYS2090 2HZ LYS2090 13.150 16.866 10.737 632 HZ3 LYS2090 1HZ LYS2090 12.419 16.316 12.086 633 H SER2091 H SER2091 7.993 15.990 5.079 634 HA SER2091 HA SER2091 9.132 18.675 5.096 635 HB2 SER2091 1HB SER2091 10.263 17.056 3.588 636 HB3 SER2091 2HB SER2091 8.733 16.782 2.735 637 HG SER2091 HG SER2091 10.088 18.325 1.632 638 H GLY2092 H GLY2092 6.827 16.873 2.934 639 HA2 GLY2092 2HA GLY2092 4.469 17.299 3.021 640 HA3 GLY2092 3HA GLY2092 4.804 18.950 3.500 641 H ASN2093 H ASN2093 4.107 16.875 0.876 642 HA ASN2093 HA ASN2093 4.159 19.031 -0.915 643 HB2 ASN2093 1HB ASN2093 6.588 17.542 -0.732 644 HB3 ASN2093 2HB ASN2093 5.813 17.016 -2.235 645 HD21 ASN2093 1HD2 ASN2093 8.193 18.351 -2.258 646 HD22 ASN2093 2HD2 ASN2093 8.008 19.941 -2.919 647 H VAL2094 H VAL2094 2.214 18.544 -1.945 648 HA VAL2094 HA VAL2094 0.996 16.075 -1.897 649 HB VAL2094 HB VAL2094 0.164 18.481 -2.454 650 HG11 VAL2094 1HG1 VAL2094 1.563 18.719 -4.496 651 HG12 VAL2094 2HG1 VAL2094 0.625 17.412 -5.260 652 HG13 VAL2094 3HG1 VAL2094 -0.175 18.939 -4.813 653 HG21 VAL2094 3HG2 VAL2094 -1.200 16.432 -4.151 654 HG22 VAL2094 1HG2 VAL2094 -1.040 16.104 -2.407 655 HG23 VAL2094 2HG2 VAL2094 -1.877 17.574 -2.964 656 H LYS2095 H LYS2095 3.139 17.563 -4.392 657 HA LYS2095 HA LYS2095 2.869 15.705 -6.374 658 HB2 LYS2095 1HB LYS2095 5.262 16.320 -6.926 659 HB3 LYS2095 2HB LYS2095 4.107 17.663 -6.810 660 HG2 LYS2095 1HG LYS2095 5.575 18.609 -5.378 661 HG3 LYS2095 2HG LYS2095 5.068 17.391 -4.193 662 HD2 LYS2095 1HD LYS2095 7.133 16.500 -4.230 663 HD3 LYS2095 2HD LYS2095 6.986 16.176 -5.965 664 HE2 LYS2095 1HE LYS2095 7.588 18.990 -5.118 665 HE3 LYS2095 2HE LYS2095 8.892 17.803 -4.949 666 HZ1 LYS2095 2HZ LYS2095 8.889 18.879 -7.145 667 HZ3 LYS2095 1HZ LYS2095 7.388 18.330 -7.459 668 H ASP2096 H ASP2096 4.990 15.571 -3.447 669 HA ASP2096 HA ASP2096 6.197 13.180 -4.130 670 HB2 ASP2096 1HB ASP2096 7.286 14.227 -2.386 671 HB3 ASP2096 2HB ASP2096 5.783 14.788 -1.635 672 HD2 ASP2096 HD ASP2096 5.378 11.599 -0.038 673 H LEU2097 H LEU2097 3.189 14.031 -2.324 674 HA LEU2097 HA LEU2097 2.605 11.517 -1.303 675 HB2 LEU2097 1HB LEU2097 1.564 13.974 -1.092 676 HB3 LEU2097 2HB LEU2097 0.366 13.245 -2.174 677 HG LEU2097 HG LEU2097 1.183 12.213 0.556 678 HD11 LEU2097 1HD1 LEU2097 -1.323 12.799 0.983 679 HD12 LEU2097 2HD1 LEU2097 -0.084 14.078 1.048 680 HD13 LEU2097 3HD1 LEU2097 -1.106 13.902 -0.399 681 HD21 LEU2097 3HD2 LEU2097 0.445 10.539 -1.287 682 HD22 LEU2097 1HD2 LEU2097 -0.301 10.450 0.327 683 HD23 LEU2097 2HD2 LEU2097 -1.177 11.218 -1.017 684 H THR2098 H THR2098 1.745 13.049 -4.465 685 HA THR2098 HA THR2098 0.195 10.914 -5.401 686 HB THR2098 HB THR2098 1.820 13.123 -6.761 687 HG1 THR2098 1HG THR2098 -0.130 14.166 -6.416 688 HG21 THR2098 3HG2 THR2098 0.241 10.866 -7.899 689 HG22 THR2098 1HG2 THR2098 -0.293 12.475 -8.438 690 HG23 THR2098 2HG2 THR2098 1.388 11.960 -8.706 691 H GLN2099 H GLN2099 3.729 11.573 -5.624 692 HA GLN2099 HA GLN2099 4.269 9.472 -7.335 693 HB2 GLN2099 1HB GLN2099 5.707 11.468 -5.961 694 HB3 GLN2099 2HB GLN2099 6.438 9.941 -5.438 695 HG2 GLN2099 1HG GLN2099 7.288 9.503 -7.516 696 HG3 GLN2099 2HG GLN2099 5.863 10.131 -8.354 697 HE21 GLN2099 1HE2 GLN2099 8.938 10.505 -8.389 698 HE22 GLN2099 2HE2 GLN2099 9.160 12.219 -8.505 699 H ALA2100 H ALA2100 4.314 9.666 -3.714 700 HA ALA2100 HA ALA2100 5.174 7.059 -3.269 701 HB1 ALA2100 3HB ALA2100 4.817 7.584 -1.064 702 HB2 ALA2100 1HB ALA2100 4.704 9.229 -1.733 703 HB3 ALA2100 2HB ALA2100 3.223 8.307 -1.381 704 H TRP2101 H TRP2101 1.832 8.451 -3.505 705 HA TRP2101 HA TRP2101 0.475 6.075 -3.039 706 HB2 TRP2101 1HB TRP2101 -0.119 8.751 -3.809 707 HB3 TRP2101 2HB TRP2101 -0.986 7.663 -4.893 708 HD1 TRP2101 HD TRP2101 -1.505 9.333 -1.696 709 HE1 TRP2101 1HE TRP2101 -3.382 8.251 -0.189 710 HE3 TRP2101 3HE TRP2101 -1.766 4.950 -4.258 711 HZ2 TRP2101 2HZ TRP2101 -4.735 5.739 -0.239 712 HZ3 TRP2101 3HZ TRP2101 -3.392 3.235 -3.463 713 HH2 TRP2101 HH TRP2101 -4.845 3.574 -1.527 714 H ASP2102 H ASP2102 2.142 7.402 -5.898 715 HA ASP2102 HA ASP2102 0.965 5.822 -7.816 716 HB2 ASP2102 1HB ASP2102 2.968 7.727 -7.712 717 HB3 ASP2102 2HB ASP2102 3.886 6.273 -8.132 718 HD2 ASP2102 HD ASP2102 2.705 8.049 -11.121 719 H LEU2103 H LEU2103 4.000 5.369 -5.853 720 HA LEU2103 HA LEU2103 4.772 2.939 -6.897 721 HB2 LEU2103 1HB LEU2103 5.172 4.326 -4.282 722 HB3 LEU2103 2HB LEU2103 5.787 2.681 -4.517 723 HG LEU2103 HG LEU2103 6.935 3.677 -6.625 724 HD11 LEU2103 1HD1 LEU2103 7.508 6.059 -6.447 725 HD12 LEU2103 2HD1 LEU2103 5.759 5.808 -6.660 726 HD13 LEU2103 3HD1 LEU2103 6.412 6.217 -5.055 727 HD21 LEU2103 3HD2 LEU2103 7.962 4.536 -3.910 728 HD22 LEU2103 1HD2 LEU2103 8.038 2.869 -4.527 729 HD23 LEU2103 2HD2 LEU2103 8.910 4.171 -5.371 730 H TYR2104 H TYR2104 2.669 3.617 -4.017 731 HA TYR2104 HA TYR2104 2.166 0.996 -3.335 732 HB2 TYR2104 1HB TYR2104 0.644 3.652 -3.280 733 HB3 TYR2104 2HB TYR2104 -0.095 2.207 -2.581 734 HD1 TYR2104 2HD TYR2104 2.240 0.924 -1.279 735 HD2 TYR2104 1HD TYR2104 1.099 5.042 -1.465 736 HE1 TYR2104 2HE TYR2104 3.475 1.371 0.898 737 HE2 TYR2104 1HE TYR2104 2.338 5.477 0.712 738 HH TYR2104 HH TYR2104 4.357 3.017 2.159 739 H TYR2105 H TYR2105 0.144 3.173 -5.436 740 HA TYR2105 HA TYR2105 -1.824 1.417 -6.087 741 HB2 TYR2105 1HB TYR2105 -1.031 3.935 -6.769 742 HB3 TYR2105 2HB TYR2105 -0.467 3.107 -8.225 743 HD1 TYR2105 1HD TYR2105 -2.803 1.028 -8.197 744 HD2 TYR2105 2HD TYR2105 -2.666 5.294 -7.899 745 HE1 TYR2105 1HE TYR2105 -5.148 1.178 -9.167 746 HE2 TYR2105 2HE TYR2105 -5.011 5.430 -8.869 747 HH TYR2105 HH TYR2105 -7.073 2.947 -8.955 748 H HIS2106 H HIS2106 1.525 1.549 -7.358 749 HA HIS2106 HA HIS2106 1.095 -0.149 -9.528 750 HB2 HIS2106 1HB HIS2106 3.202 1.308 -8.432 751 HB3 HIS2106 2HB HIS2106 3.752 -0.370 -8.357 752 HD1 HIS2106 1HD HIS2106 5.179 1.566 -10.251 753 HD2 HIS2106 2HD HIS2106 1.896 -0.782 -11.392 754 HE1 HIS2106 1HE HIS2106 5.305 1.347 -12.790 755 HE2 HIS2106 2HE HIS2106 3.259 -0.108 -13.443 756 H VAL2107 H VAL2107 2.371 -0.817 -6.191 757 HA VAL2107 HA VAL2107 2.452 -3.608 -6.611 758 HB VAL2107 HB VAL2107 3.181 -3.730 -4.429 759 HG11 VAL2107 1HG1 VAL2107 4.032 -0.980 -4.312 760 HG12 VAL2107 2HG1 VAL2107 4.974 -2.434 -4.716 761 HG13 VAL2107 3HG1 VAL2107 4.100 -1.555 -5.994 762 HG21 VAL2107 3HG2 VAL2107 1.722 -1.154 -3.751 763 HG22 VAL2107 1HG2 VAL2107 1.113 -2.794 -3.417 764 HG23 VAL2107 2HG2 VAL2107 2.600 -2.217 -2.624 765 H PHE2108 H PHE2108 0.105 -1.380 -4.983 766 HA PHE2108 HA PHE2108 -1.639 -3.368 -4.137 767 HB2 PHE2108 1HB PHE2108 -1.700 -0.414 -4.828 768 HB3 PHE2108 2HB PHE2108 -3.250 -1.205 -4.520 769 HD1 PHE2108 2HD PHE2108 0.061 -0.461 -3.030 770 HD2 PHE2108 1HD PHE2108 -3.960 -1.614 -2.314 771 HE1 PHE2108 2HE PHE2108 0.410 -0.151 -0.563 772 HE2 PHE2108 1HE PHE2108 -3.611 -1.305 0.152 773 HZ PHE2108 HZ PHE2108 -1.430 -0.578 0.998 774 H ARG2109 H ARG2109 -1.141 -1.845 -7.306 775 HA ARG2109 HA ARG2109 -3.653 -2.616 -8.313 776 HB2 ARG2109 1HB ARG2109 -2.599 -0.799 -9.425 777 HB3 ARG2109 2HB ARG2109 -1.051 -1.649 -9.559 778 HG2 ARG2109 1HG ARG2109 -1.990 -3.181 -11.209 779 HG3 ARG2109 2HG ARG2109 -3.610 -2.494 -10.995 780 HD2 ARG2109 1HD ARG2109 -1.689 -0.395 -11.607 781 HD3 ARG2109 2HD ARG2109 -1.601 -1.668 -12.836 782 HE ARG2109 HE ARG2109 -4.319 -0.768 -12.109 783 HH11 ARG2109 2HH2 ARG2109 -1.598 -0.429 -14.352 784 HH12 ARG2109 1HH2 ARG2109 -2.558 0.281 -15.606 785 H ARG2110 H ARG2110 -0.334 -3.997 -8.271 786 HA ARG2110 HA ARG2110 -0.795 -5.986 -10.137 787 HB2 ARG2110 1HB ARG2110 1.128 -5.728 -7.794 788 HB3 ARG2110 2HB ARG2110 1.168 -7.139 -8.866 789 HG2 ARG2110 1HG ARG2110 1.281 -4.302 -9.937 790 HG3 ARG2110 2HG ARG2110 2.749 -5.145 -9.411 791 HD2 ARG2110 1HD ARG2110 2.558 -6.774 -11.116 792 HD3 ARG2110 2HD ARG2110 0.839 -6.445 -11.380 793 HE ARG2110 HE ARG2110 2.450 -4.105 -11.937 794 HH11 ARG2110 2HH2 ARG2110 1.497 -7.228 -13.312 795 HH12 ARG2110 1HH2 ARG2110 1.734 -6.719 -14.951 796 H ILE2111 H ILE2111 -0.943 -6.002 -6.504 797 HA ILE2111 HA ILE2111 -1.545 -8.624 -6.087 798 HB ILE2111 HB ILE2111 -2.790 -7.765 -4.064 799 HG12 ILE2111 1HG1 ILE2111 -1.895 -5.076 -5.123 800 HG13 ILE2111 2HG1 ILE2111 -3.572 -5.646 -5.082 801 HG21 ILE2111 1HG2 ILE2111 -0.088 -6.470 -4.301 802 HG22 ILE2111 2HG2 ILE2111 -0.817 -7.334 -2.926 803 HG23 ILE2111 3HG2 ILE2111 -0.258 -8.240 -4.353 804 HD11 ILE2111 3HD1 ILE2111 -3.450 -4.429 -3.089 805 HD12 ILE2111 1HD1 ILE2111 -3.027 -6.059 -2.510 806 HD13 ILE2111 2HD1 ILE2111 -1.745 -4.860 -2.810 807 H SER2112 H SER2112 -3.587 -6.044 -7.432 808 HA SER2112 HA SER2112 -5.911 -7.720 -7.239 809 HB2 SER2112 1HB SER2112 -6.248 -5.365 -6.864 810 HB3 SER2112 2HB SER2112 -5.431 -4.935 -8.378 811 HG SER2112 HG SER2112 -8.065 -5.498 -7.938 812 H LYS2113 H LYS2113 -4.074 -6.017 -9.889 813 HA LYS2113 HA LYS2113 -5.273 -7.028 -12.061 814 HB2 LYS2113 1HB LYS2113 -3.622 -5.541 -12.552 815 HB3 LYS2113 2HB LYS2113 -2.454 -6.266 -11.434 816 HG2 LYS2113 1HG LYS2113 -1.750 -6.708 -13.719 817 HG3 LYS2113 2HG LYS2113 -2.276 -8.238 -12.997 818 HD2 LYS2113 1HD LYS2113 -4.605 -7.615 -14.050 819 HD3 LYS2113 2HD LYS2113 -3.663 -6.518 -15.073 820 HE2 LYS2113 1HE LYS2113 -3.025 -8.244 -16.377 821 HE3 LYS2113 2HE LYS2113 -2.353 -9.105 -14.982 822 HZ1 LYS2113 2HZ LYS2113 -4.030 -10.541 -15.463 823 HZ3 LYS2113 1HZ LYS2113 -4.920 -9.452 -16.284 824 H GLN2114 H GLN2114 -3.294 -8.793 -9.713 825 HA GLN2114 HA GLN2114 -4.107 -11.218 -11.031 826 HB2 GLN2114 1HB GLN2114 -1.800 -10.509 -11.908 827 HB3 GLN2114 2HB GLN2114 -1.182 -10.858 -10.284 828 HG2 GLN2114 1HG GLN2114 -0.922 -12.979 -11.040 829 HG3 GLN2114 2HG GLN2114 -2.675 -13.130 -10.856 830 HE21 GLN2114 1HE2 GLN2114 -3.523 -14.089 -12.529 831 HE22 GLN2114 2HE2 GLN2114 -3.130 -13.843 -14.198 Start of MODEL 29 1 H MET2014 H MET2014 -17.301 -4.641 3.045 2 HA MET2014 HA MET2014 -17.200 -5.278 0.969 3 HB2 MET2014 1HB MET2014 -14.790 -3.451 1.182 4 HB3 MET2014 2HB MET2014 -15.060 -4.314 -0.340 5 HG2 MET2014 1HG MET2014 -16.235 -2.326 -0.718 6 HG3 MET2014 2HG MET2014 -17.528 -3.358 -0.097 7 HE1 MET2014 3HE MET2014 -17.498 -0.424 -0.377 8 HE2 MET2014 1HE MET2014 -17.668 0.477 1.147 9 HE3 MET2014 2HE MET2014 -16.059 0.248 0.424 10 H GLU2015 H GLU2015 -16.981 -7.537 1.351 11 HA GLU2015 HA GLU2015 -14.242 -8.487 1.023 12 HB2 GLU2015 1HB GLU2015 -16.527 -9.750 2.584 13 HB3 GLU2015 2HB GLU2015 -14.957 -10.525 2.311 14 HG2 GLU2015 1HG GLU2015 -14.071 -9.395 4.048 15 HG3 GLU2015 2HG GLU2015 -14.531 -7.845 3.326 16 HE2 GLU2015 HE GLU2015 -17.240 -7.439 5.398 17 H LEU2016 H LEU2016 -17.187 -8.065 -0.490 18 HA LEU2016 HA LEU2016 -17.676 -10.562 -1.645 19 HB2 LEU2016 1HB LEU2016 -18.662 -7.898 -1.784 20 HB3 LEU2016 2HB LEU2016 -18.422 -8.494 -3.436 21 HG LEU2016 HG LEU2016 -20.707 -8.859 -2.613 22 HD11 LEU2016 1HD1 LEU2016 -20.676 -11.455 -2.934 23 HD12 LEU2016 2HD1 LEU2016 -20.209 -10.378 -4.272 24 HD13 LEU2016 3HD1 LEU2016 -18.955 -11.193 -3.307 25 HD21 LEU2016 3HD2 LEU2016 -19.642 -10.872 -0.636 26 HD22 LEU2016 1HD2 LEU2016 -19.909 -9.170 -0.188 27 HD23 LEU2016 2HD2 LEU2016 -21.271 -10.163 -0.760 28 H ILE2017 H ILE2017 -16.935 -11.576 -3.509 29 HA ILE2017 HA ILE2017 -15.553 -12.074 -5.155 30 HB ILE2017 HB ILE2017 -15.667 -9.107 -5.371 31 HG12 ILE2017 1HG1 ILE2017 -16.096 -10.602 -7.788 32 HG13 ILE2017 2HG1 ILE2017 -17.041 -11.318 -6.471 33 HG21 ILE2017 1HG2 ILE2017 -14.239 -9.698 -7.599 34 HG22 ILE2017 2HG2 ILE2017 -13.541 -9.027 -6.105 35 HG23 ILE2017 3HG2 ILE2017 -13.464 -10.777 -6.415 36 HD11 ILE2017 3HD1 ILE2017 -17.025 -8.367 -7.256 37 HD12 ILE2017 1HD1 ILE2017 -18.310 -9.535 -7.642 38 HD13 ILE2017 2HD1 ILE2017 -17.995 -9.087 -5.948 39 H ARG2018 H ARG2018 -13.676 -9.163 -4.181 40 HA ARG2018 HA ARG2018 -11.295 -10.379 -4.128 41 HB2 ARG2018 1HB ARG2018 -11.432 -7.989 -3.923 42 HB3 ARG2018 2HB ARG2018 -12.368 -8.088 -2.422 43 HG2 ARG2018 1HG ARG2018 -10.074 -7.486 -1.888 44 HG3 ARG2018 2HG ARG2018 -10.363 -9.136 -1.309 45 HD2 ARG2018 1HD ARG2018 -8.325 -9.423 -2.388 46 HD3 ARG2018 2HD ARG2018 -9.421 -9.777 -3.732 47 HE ARG2018 HE ARG2018 -7.762 -7.354 -3.374 48 HH11 ARG2018 2HH2 ARG2018 -10.353 -8.931 -5.206 49 HH12 ARG2018 1HH2 ARG2018 -10.207 -7.869 -6.567 50 H VAL2019 H VAL2019 -10.868 -12.330 -3.099 51 HA VAL2019 HA VAL2019 -12.087 -13.433 -0.985 52 HB VAL2019 HB VAL2019 -10.499 -14.650 -2.231 53 HG11 VAL2019 1HG1 VAL2019 -8.337 -14.055 -2.714 54 HG12 VAL2019 2HG1 VAL2019 -9.051 -12.437 -2.513 55 HG13 VAL2019 3HG1 VAL2019 -8.118 -13.170 -1.187 56 HG21 VAL2019 3HG2 VAL2019 -9.986 -14.310 0.674 57 HG22 VAL2019 1HG2 VAL2019 -10.414 -15.765 -0.258 58 HG23 VAL2019 2HG2 VAL2019 -8.736 -15.175 -0.252 59 HA PRO2020 HA PRO2020 -11.196 -10.772 2.338 60 HB2 PRO2020 1HB PRO2020 -12.470 -12.183 4.299 61 HB3 PRO2020 2HB PRO2020 -13.301 -11.060 3.226 62 HG2 PRO2020 1HG PRO2020 -13.235 -14.010 3.200 63 HG3 PRO2020 2HG PRO2020 -14.436 -12.908 2.437 64 HD2 PRO2020 1HD PRO2020 -12.330 -14.391 1.185 65 HD3 PRO2020 2HD PRO2020 -13.383 -13.197 0.413 66 H ILE2021 H ILE2021 -10.577 -14.204 2.549 67 HA ILE2021 HA ILE2021 -8.624 -13.727 4.631 68 HB ILE2021 HB ILE2021 -9.185 -16.329 3.235 69 HG12 ILE2021 1HG1 ILE2021 -11.344 -15.434 3.843 70 HG13 ILE2021 2HG1 ILE2021 -10.922 -16.777 4.918 71 HG21 ILE2021 1HG2 ILE2021 -7.353 -16.628 4.611 72 HG22 ILE2021 2HG2 ILE2021 -7.946 -15.482 5.834 73 HG23 ILE2021 3HG2 ILE2021 -8.702 -17.085 5.680 74 HD11 ILE2021 3HD1 ILE2021 -11.358 -13.915 5.526 75 HD12 ILE2021 1HD1 ILE2021 -11.464 -15.334 6.597 76 HD13 ILE2021 2HD1 ILE2021 -9.884 -14.584 6.265 77 H LEU2022 H LEU2022 -7.235 -12.272 3.396 78 HA LEU2022 HA LEU2022 -5.038 -13.551 2.325 79 HB2 LEU2022 1HB LEU2022 -7.105 -13.589 0.493 80 HB3 LEU2022 2HB LEU2022 -6.113 -12.215 -0.024 81 HG LEU2022 HG LEU2022 -5.176 -15.070 0.370 82 HD11 LEU2022 1HD1 LEU2022 -6.037 -15.394 -1.658 83 HD12 LEU2022 2HD1 LEU2022 -6.340 -13.657 -1.899 84 HD13 LEU2022 3HD1 LEU2022 -4.739 -14.340 -2.268 85 HD21 LEU2022 3HD2 LEU2022 -3.094 -14.168 -0.807 86 HD22 LEU2022 1HD2 LEU2022 -3.690 -12.550 -0.365 87 HD23 LEU2022 2HD2 LEU2022 -3.320 -13.740 0.907 88 H TRP2023 H TRP2023 -3.330 -12.052 1.918 89 HA TRP2023 HA TRP2023 -3.461 -9.711 3.356 90 HB2 TRP2023 1HB TRP2023 -1.598 -10.984 1.481 91 HB3 TRP2023 2HB TRP2023 -1.455 -9.226 1.566 92 HD1 TRP2023 HD TRP2023 -2.426 -11.040 4.789 93 HE1 TRP2023 1HE TRP2023 -0.473 -10.989 6.564 94 HE3 TRP2023 3HE TRP2023 1.096 -9.169 1.634 95 HZ2 TRP2023 2HZ TRP2023 2.264 -10.189 6.450 96 HZ3 TRP2023 3HZ TRP2023 3.384 -8.782 2.547 97 HH2 TRP2023 HH TRP2023 3.992 -9.263 4.864 98 H HIS2024 H HIS2024 -3.929 -10.345 -0.175 99 HA HIS2024 HA HIS2024 -4.094 -7.797 -1.086 100 HB2 HIS2024 1HB HIS2024 -6.036 -9.883 -2.026 101 HB3 HIS2024 2HB HIS2024 -5.168 -8.663 -2.967 102 HD1 HIS2024 1HD HIS2024 -5.129 -12.189 -2.186 103 HD2 HIS2024 2HD HIS2024 -2.206 -9.285 -2.979 104 HE1 HIS2024 1HE HIS2024 -3.014 -13.461 -2.834 105 HE2 HIS2024 2HE HIS2024 -1.241 -11.627 -3.308 106 H GLU2025 H GLU2025 -6.246 -9.465 1.119 107 HA GLU2025 HA GLU2025 -8.522 -7.921 0.599 108 HB2 GLU2025 1HB GLU2025 -8.536 -10.116 1.763 109 HB3 GLU2025 2HB GLU2025 -7.723 -9.382 3.156 110 HG2 GLU2025 1HG GLU2025 -10.182 -9.561 3.479 111 HG3 GLU2025 2HG GLU2025 -9.644 -7.876 3.504 112 HE2 GLU2025 HE GLU2025 -11.955 -7.150 1.107 113 H MET2026 H MET2026 -5.625 -7.501 2.637 114 HA MET2026 HA MET2026 -6.753 -5.324 4.073 115 HB2 MET2026 1HB MET2026 -5.064 -6.479 5.256 116 HB3 MET2026 2HB MET2026 -4.041 -6.670 3.821 117 HG2 MET2026 1HG MET2026 -4.601 -3.934 5.017 118 HG3 MET2026 2HG MET2026 -3.304 -4.952 5.649 119 HE1 MET2026 3HE MET2026 -1.373 -4.978 5.118 120 HE2 MET2026 1HE MET2026 -0.646 -5.086 3.499 121 HE3 MET2026 2HE MET2026 -0.763 -3.511 4.318 122 H TRP2027 H TRP2027 -4.771 -5.784 1.141 123 HA TRP2027 HA TRP2027 -4.001 -3.045 0.954 124 HB2 TRP2027 1HB TRP2027 -3.997 -5.228 -1.132 125 HB3 TRP2027 2HB TRP2027 -3.177 -3.670 -1.252 126 HD1 TRP2027 HD TRP2027 -3.102 -6.230 1.709 127 HE1 TRP2027 1HE TRP2027 -0.614 -6.865 2.315 128 HE3 TRP2027 3HE TRP2027 -0.950 -3.500 -2.001 129 HZ2 TRP2027 2HZ TRP2027 1.919 -6.172 1.198 130 HZ3 TRP2027 3HZ TRP2027 1.536 -3.532 -2.174 131 HH2 TRP2027 HH TRP2027 2.961 -4.809 -0.652 132 H HIS2028 H HIS2028 -6.652 -5.158 -0.227 133 HA HIS2028 HA HIS2028 -7.689 -3.270 -2.039 134 HB2 HIS2028 1HB HIS2028 -8.507 -5.273 -2.607 135 HB3 HIS2028 2HB HIS2028 -8.428 -5.907 -0.958 136 HD1 HIS2028 1HD HIS2028 -10.765 -4.594 -3.485 137 HD2 HIS2028 2HD HIS2028 -10.739 -5.122 0.675 138 HE1 HIS2028 1HE HIS2028 -13.196 -4.421 -2.729 139 HE2 HIS2028 2HE HIS2028 -13.125 -4.751 -0.157 140 H GLU2029 H GLU2029 -8.811 -4.336 1.255 141 HA GLU2029 HA GLU2029 -10.692 -2.264 1.398 142 HB2 GLU2029 1HB GLU2029 -11.164 -3.072 3.568 143 HB3 GLU2029 2HB GLU2029 -10.642 -4.510 2.676 144 HG2 GLU2029 1HG GLU2029 -8.362 -4.251 3.625 145 HG3 GLU2029 2HG GLU2029 -8.889 -2.816 4.518 146 HE2 GLU2029 HE GLU2029 -9.726 -6.461 5.847 147 H GLY2030 H GLY2030 -7.253 -2.566 2.204 148 HA2 GLY2030 2HA GLY2030 -6.985 -0.472 4.035 149 HA3 GLY2030 3HA GLY2030 -5.743 -1.086 2.962 150 H LEU2031 H LEU2031 -6.167 -0.416 0.487 151 HA LEU2031 HA LEU2031 -5.926 2.367 0.416 152 HB2 LEU2031 1HB LEU2031 -5.915 0.116 -1.456 153 HB3 LEU2031 2HB LEU2031 -6.475 1.640 -2.163 154 HG LEU2031 HG LEU2031 -3.789 0.937 -1.007 155 HD11 LEU2031 1HD1 LEU2031 -2.939 1.702 -3.103 156 HD12 LEU2031 2HD1 LEU2031 -4.308 0.615 -3.438 157 HD13 LEU2031 3HD1 LEU2031 -4.519 2.378 -3.566 158 HD21 LEU2031 3HD2 LEU2031 -5.099 3.614 -1.014 159 HD22 LEU2031 1HD2 LEU2031 -3.907 2.916 0.109 160 HD23 LEU2031 2HD2 LEU2031 -3.385 3.522 -1.482 161 H GLU2032 H GLU2032 -8.697 0.161 0.115 162 HA GLU2032 HA GLU2032 -10.451 1.804 -1.168 163 HB2 GLU2032 1HB GLU2032 -10.547 -0.586 0.475 164 HB3 GLU2032 2HB GLU2032 -11.948 0.442 0.825 165 HG2 GLU2032 1HG GLU2032 -11.496 0.397 -2.028 166 HG3 GLU2032 2HG GLU2032 -11.514 -1.271 -1.437 167 HE2 GLU2032 HE GLU2032 -14.890 0.441 -2.003 168 H GLU2033 H GLU2033 -9.736 1.572 2.380 169 HA GLU2033 HA GLU2033 -11.537 3.698 2.940 170 HB2 GLU2033 1HB GLU2033 -10.667 1.648 4.414 171 HB3 GLU2033 2HB GLU2033 -9.443 2.828 4.917 172 HG2 GLU2033 1HG GLU2033 -12.466 3.016 5.172 173 HG3 GLU2033 2HG GLU2033 -11.273 3.010 6.480 174 HE2 GLU2033 HE GLU2033 -11.906 6.353 4.351 175 H ALA2034 H ALA2034 -7.960 3.250 2.729 176 HA ALA2034 HA ALA2034 -7.230 5.778 3.611 177 HB1 ALA2034 3HB ALA2034 -5.776 4.220 1.458 178 HB2 ALA2034 1HB ALA2034 -5.095 5.231 2.754 179 HB3 ALA2034 2HB ALA2034 -5.826 3.655 3.145 180 H SER2035 H SER2035 -8.143 4.552 0.341 181 HA SER2035 HA SER2035 -7.635 7.072 -0.848 182 HB2 SER2035 1HB SER2035 -8.495 6.067 -2.875 183 HB3 SER2035 2HB SER2035 -7.479 4.869 -2.053 184 HG SER2035 HG SER2035 -9.227 3.639 -1.611 185 H ARG2036 H ARG2036 -10.556 5.184 0.163 186 HA ARG2036 HA ARG2036 -12.468 6.828 -0.806 187 HB2 ARG2036 1HB ARG2036 -13.111 4.751 0.193 188 HB3 ARG2036 2HB ARG2036 -12.343 5.156 1.739 189 HG2 ARG2036 1HG ARG2036 -14.471 7.019 0.778 190 HG3 ARG2036 2HG ARG2036 -15.020 5.406 1.267 191 HD2 ARG2036 1HD ARG2036 -14.115 5.684 3.480 192 HD3 ARG2036 2HD ARG2036 -13.210 7.132 3.013 193 HE ARG2036 HE ARG2036 -15.794 7.866 2.473 194 HH11 ARG2036 2HH2 ARG2036 -14.313 6.407 5.343 195 HH12 ARG2036 1HH2 ARG2036 -15.444 7.122 6.442 196 H LEU2037 H LEU2037 -10.665 7.045 2.326 197 HA LEU2037 HA LEU2037 -12.097 9.330 3.211 198 HB2 LEU2037 1HB LEU2037 -10.731 9.278 5.067 199 HB3 LEU2037 2HB LEU2037 -10.897 7.575 4.597 200 HG LEU2037 HG LEU2037 -8.625 8.030 3.346 201 HD11 LEU2037 1HD1 LEU2037 -8.769 10.290 5.338 202 HD12 LEU2037 2HD1 LEU2037 -7.220 9.610 4.785 203 HD13 LEU2037 3HD1 LEU2037 -8.341 10.341 3.610 204 HD21 LEU2037 3HD2 LEU2037 -8.524 7.820 6.355 205 HD22 LEU2037 1HD2 LEU2037 -9.150 6.506 5.329 206 HD23 LEU2037 2HD2 LEU2037 -7.468 7.057 5.140 207 H TYR2038 H TYR2038 -8.933 8.750 1.573 208 HA TYR2038 HA TYR2038 -7.952 11.315 1.642 209 HB2 TYR2038 1HB TYR2038 -6.800 9.257 0.801 210 HB3 TYR2038 2HB TYR2038 -7.960 9.122 -0.524 211 HD1 TYR2038 2HD TYR2038 -5.745 11.837 0.848 212 HD2 TYR2038 1HD TYR2038 -7.050 9.640 -2.584 213 HE1 TYR2038 2HE TYR2038 -4.206 13.218 -0.629 214 HE2 TYR2038 1HE TYR2038 -5.504 11.029 -4.050 215 HH TYR2038 HH TYR2038 -3.073 12.990 -2.754 216 H PHE2039 H PHE2039 -10.035 9.798 -0.926 217 HA PHE2039 HA PHE2039 -10.246 12.220 -2.369 218 HB2 PHE2039 1HB PHE2039 -11.650 9.511 -2.240 219 HB3 PHE2039 2HB PHE2039 -12.260 10.755 -3.336 220 HD1 PHE2039 2HD PHE2039 -8.983 9.188 -2.434 221 HD2 PHE2039 1HD PHE2039 -11.530 10.620 -5.510 222 HE1 PHE2039 2HE PHE2039 -7.308 8.467 -4.157 223 HE2 PHE2039 1HE PHE2039 -9.854 9.898 -7.234 224 HZ PHE2039 HZ PHE2039 -7.763 8.830 -6.536 225 H GLY2040 H GLY2040 -12.127 10.649 0.231 226 HA2 GLY2040 2HA GLY2040 -14.455 12.260 -0.059 227 HA3 GLY2040 3HA GLY2040 -14.010 11.264 1.312 228 H GLU2041 H GLU2041 -11.320 12.587 1.633 229 HA GLU2041 HA GLU2041 -11.983 15.317 2.166 230 HB2 GLU2041 1HB GLU2041 -11.595 15.253 4.551 231 HB3 GLU2041 2HB GLU2041 -12.863 14.074 4.173 232 HG2 GLU2041 1HG GLU2041 -10.383 12.699 3.936 233 HG3 GLU2041 2HG GLU2041 -10.267 13.657 5.420 234 HE2 GLU2041 HE GLU2041 -13.076 10.795 5.123 235 H ARG2042 H ARG2042 -10.108 16.634 2.326 236 HA ARG2042 HA ARG2042 -7.808 15.451 1.246 237 HB2 ARG2042 1HB ARG2042 -8.823 17.972 1.272 238 HB3 ARG2042 2HB ARG2042 -7.610 18.149 2.552 239 HG2 ARG2042 1HG ARG2042 -6.502 18.743 0.528 240 HG3 ARG2042 2HG ARG2042 -5.933 17.105 0.895 241 HD2 ARG2042 1HD ARG2042 -6.552 16.607 -1.233 242 HD3 ARG2042 2HD ARG2042 -8.217 16.633 -0.633 243 HE ARG2042 HE ARG2042 -7.466 19.309 -1.235 244 HH11 ARG2042 2HH2 ARG2042 -8.036 16.265 -2.957 245 HH12 ARG2042 1HH2 ARG2042 -8.518 17.044 -4.428 246 H ASN2043 H ASN2043 -7.956 13.848 3.318 247 HA ASN2043 HA ASN2043 -6.177 15.005 5.318 248 HB2 ASN2043 1HB ASN2043 -8.390 12.926 5.579 249 HB3 ASN2043 2HB ASN2043 -7.159 13.135 6.834 250 HD21 ASN2043 1HD2 ASN2043 -8.102 14.103 8.468 251 HD22 ASN2043 2HD2 ASN2043 -9.064 15.542 8.414 252 H VAL2044 H VAL2044 -4.335 14.268 3.961 253 HA VAL2044 HA VAL2044 -4.101 11.640 3.031 254 HB VAL2044 HB VAL2044 -1.934 13.620 3.759 255 HG11 VAL2044 1HG1 VAL2044 -1.636 11.751 1.467 256 HG12 VAL2044 2HG1 VAL2044 -0.434 12.327 2.648 257 HG13 VAL2044 3HG1 VAL2044 -1.565 11.026 3.093 258 HG21 VAL2044 3HG2 VAL2044 -2.331 14.799 1.868 259 HG22 VAL2044 1HG2 VAL2044 -2.828 13.361 0.944 260 HG23 VAL2044 2HG2 VAL2044 -3.976 14.149 2.053 261 H LYS2045 H LYS2045 -4.102 12.912 6.216 262 HA LYS2045 HA LYS2045 -2.202 11.145 7.360 263 HB2 LYS2045 1HB LYS2045 -3.235 11.870 9.492 264 HB3 LYS2045 2HB LYS2045 -2.719 13.214 8.460 265 HG2 LYS2045 1HG LYS2045 -4.806 14.039 8.694 266 HG3 LYS2045 2HG LYS2045 -5.370 12.711 7.664 267 HD2 LYS2045 1HD LYS2045 -6.610 12.042 9.425 268 HD3 LYS2045 2HD LYS2045 -5.099 11.540 10.203 269 HE2 LYS2045 1HE LYS2045 -4.986 13.469 11.516 270 HE3 LYS2045 2HE LYS2045 -5.955 14.432 10.390 271 HZ1 LYS2045 2HZ LYS2045 -7.854 13.717 11.377 272 HZ3 LYS2045 1HZ LYS2045 -6.915 13.309 12.643 273 H GLY2046 H GLY2046 -5.731 11.054 6.720 274 HA2 GLY2046 2HA GLY2046 -6.420 8.835 8.231 275 HA3 GLY2046 3HA GLY2046 -7.192 9.348 6.744 276 H MET2047 H MET2047 -5.476 8.944 4.712 277 HA MET2047 HA MET2047 -5.509 6.209 4.391 278 HB2 MET2047 1HB MET2047 -3.566 7.172 2.610 279 HB3 MET2047 2HB MET2047 -5.308 7.134 2.291 280 HG2 MET2047 1HG MET2047 -5.581 9.411 2.964 281 HG3 MET2047 2HG MET2047 -4.011 9.455 3.772 282 HE1 MET2047 3HE MET2047 -1.441 9.844 1.226 283 HE2 MET2047 1HE MET2047 -1.927 9.041 2.739 284 HE3 MET2047 2HE MET2047 -1.960 8.143 1.202 285 H PHE2048 H PHE2048 -2.867 8.446 5.390 286 HA PHE2048 HA PHE2048 -0.794 6.593 5.259 287 HB2 PHE2048 1HB PHE2048 -1.478 9.137 6.782 288 HB3 PHE2048 2HB PHE2048 0.012 8.285 7.203 289 HD1 PHE2048 1HD PHE2048 0.446 7.362 4.228 290 HD2 PHE2048 2HD PHE2048 -0.289 11.114 6.069 291 HE1 PHE2048 1HE PHE2048 1.625 8.520 2.339 292 HE2 PHE2048 2HE PHE2048 0.891 12.272 4.180 293 HZ PHE2048 HZ PHE2048 1.833 10.961 2.337 294 H GLU2049 H GLU2049 -3.128 7.418 7.882 295 HA GLU2049 HA GLU2049 -1.826 5.744 9.746 296 HB2 GLU2049 1HB GLU2049 -3.763 6.206 11.177 297 HB3 GLU2049 2HB GLU2049 -3.195 7.703 10.417 298 HG2 GLU2049 1HG GLU2049 -5.022 7.779 8.928 299 HG3 GLU2049 2HG GLU2049 -5.387 6.058 9.120 300 HE2 GLU2049 HE GLU2049 -6.753 6.729 12.397 301 H VAL2050 H VAL2050 -3.823 5.162 7.025 302 HA VAL2050 HA VAL2050 -5.126 2.833 8.116 303 HB VAL2050 HB VAL2050 -5.053 4.252 5.472 304 HG11 VAL2050 1HG1 VAL2050 -6.591 2.520 4.565 305 HG12 VAL2050 2HG1 VAL2050 -4.947 1.906 4.865 306 HG13 VAL2050 3HG1 VAL2050 -6.263 1.518 5.998 307 HG21 VAL2050 3HG2 VAL2050 -7.642 3.490 6.581 308 HG22 VAL2050 1HG2 VAL2050 -6.671 4.439 7.734 309 HG23 VAL2050 2HG2 VAL2050 -7.024 5.093 6.116 310 H LEU2051 H LEU2051 -2.468 3.615 5.786 311 HA LEU2051 HA LEU2051 -1.878 0.840 5.406 312 HB2 LEU2051 1HB LEU2051 0.064 2.934 4.651 313 HB3 LEU2051 2HB LEU2051 -0.507 1.521 3.747 314 HG LEU2051 HG LEU2051 -1.700 4.270 3.976 315 HD11 LEU2051 1HD1 LEU2051 -0.120 3.714 2.144 316 HD12 LEU2051 2HD1 LEU2051 -1.254 2.462 1.586 317 HD13 LEU2051 3HD1 LEU2051 -1.741 4.175 1.569 318 HD21 LEU2051 3HD2 LEU2051 -3.188 1.730 3.798 319 HD22 LEU2051 1HD2 LEU2051 -3.727 3.356 4.280 320 HD23 LEU2051 2HD2 LEU2051 -3.604 2.936 2.556 321 H GLU2052 H GLU2052 -0.540 3.610 7.281 322 HA GLU2052 HA GLU2052 1.779 2.731 8.126 323 HB2 GLU2052 1HB GLU2052 -0.343 4.369 9.247 324 HB3 GLU2052 2HB GLU2052 0.540 3.540 10.540 325 HG2 GLU2052 1HG GLU2052 2.205 5.039 10.322 326 HG3 GLU2052 2HG GLU2052 2.487 4.482 8.665 327 HE2 GLU2052 HE GLU2052 1.097 7.286 7.276 328 HA PRO2053 HA PRO2053 -0.176 -0.305 11.200 329 HB2 PRO2053 1HB PRO2053 -2.862 -0.788 11.119 330 HB3 PRO2053 2HB PRO2053 -2.123 0.362 12.231 331 HG2 PRO2053 1HG PRO2053 -3.634 0.836 9.742 332 HG3 PRO2053 2HG PRO2053 -3.311 1.979 11.095 333 HD2 PRO2053 1HD PRO2053 -2.085 1.890 8.507 334 HD3 PRO2053 2HD PRO2053 -1.622 2.933 9.858 335 H LEU2054 H LEU2054 -2.203 -0.446 8.309 336 HA LEU2054 HA LEU2054 -2.290 -3.154 8.042 337 HB2 LEU2054 1HB LEU2054 -2.215 -0.915 6.049 338 HB3 LEU2054 2HB LEU2054 -2.370 -2.603 5.533 339 HG LEU2054 HG LEU2054 -4.288 -0.958 7.193 340 HD11 LEU2054 1HD1 LEU2054 -5.100 -0.524 5.162 341 HD12 LEU2054 2HD1 LEU2054 -4.130 -1.806 4.398 342 HD13 LEU2054 3HD1 LEU2054 -5.685 -2.205 5.168 343 HD21 LEU2054 3HD2 LEU2054 -5.564 -3.351 6.833 344 HD22 LEU2054 1HD2 LEU2054 -3.894 -3.872 7.162 345 HD23 LEU2054 2HD2 LEU2054 -4.746 -2.834 8.328 346 H HIS2055 H HIS2055 0.241 -0.924 6.689 347 HA HIS2055 HA HIS2055 1.803 -2.988 5.659 348 HB2 HIS2055 1HB HIS2055 2.367 -0.134 6.436 349 HB3 HIS2055 2HB HIS2055 3.626 -1.181 5.770 350 HD1 HIS2055 1HD HIS2055 2.416 1.436 4.372 351 HD2 HIS2055 2HD HIS2055 1.421 -2.543 3.490 352 HE1 HIS2055 1HE HIS2055 1.510 1.437 1.985 353 HE2 HIS2055 2HE HIS2055 0.909 -1.037 1.491 354 H ALA2056 H ALA2056 1.886 -1.228 8.818 355 HA ALA2056 HA ALA2056 4.167 -2.403 9.834 356 HB1 ALA2056 3HB ALA2056 3.151 -1.820 12.047 357 HB2 ALA2056 1HB ALA2056 3.063 -0.490 10.865 358 HB3 ALA2056 2HB ALA2056 1.618 -1.471 11.212 359 H MET2057 H MET2057 0.715 -3.496 9.999 360 HA MET2057 HA MET2057 1.091 -5.669 11.585 361 HB2 MET2057 1HB MET2057 -1.136 -5.789 11.117 362 HB3 MET2057 2HB MET2057 -0.921 -4.590 9.828 363 HG2 MET2057 1HG MET2057 -0.479 -6.344 8.199 364 HG3 MET2057 2HG MET2057 -0.415 -7.579 9.458 365 HE1 MET2057 3HE MET2057 -3.658 -7.970 7.152 366 HE2 MET2057 1HE MET2057 -2.766 -6.510 6.659 367 HE3 MET2057 2HE MET2057 -1.880 -8.000 7.060 368 H MET2058 H MET2058 1.705 -5.301 8.067 369 HA MET2058 HA MET2058 2.059 -8.014 7.554 370 HB2 MET2058 1HB MET2058 3.352 -5.594 6.197 371 HB3 MET2058 2HB MET2058 3.126 -7.188 5.458 372 HG2 MET2058 1HG MET2058 0.599 -6.168 6.498 373 HG3 MET2058 2HG MET2058 1.327 -4.985 5.407 374 HE1 MET2058 3HE MET2058 -1.544 -7.185 3.965 375 HE2 MET2058 1HE MET2058 -0.934 -8.486 5.016 376 HE3 MET2058 2HE MET2058 -1.130 -6.838 5.661 377 H GLU2059 H GLU2059 4.368 -5.374 8.436 378 HA GLU2059 HA GLU2059 6.669 -6.842 8.131 379 HB2 GLU2059 1HB GLU2059 6.311 -4.772 10.308 380 HB3 GLU2059 2HB GLU2059 7.754 -5.097 9.331 381 HG2 GLU2059 1HG GLU2059 5.200 -3.666 8.571 382 HG3 GLU2059 2HG GLU2059 6.871 -3.121 8.371 383 HE2 GLU2059 HE GLU2059 5.322 -4.426 5.231 384 H ARG2060 H ARG2060 4.907 -6.120 11.239 385 HA ARG2060 HA ARG2060 6.429 -7.910 12.702 386 HB2 ARG2060 1HB ARG2060 4.584 -7.683 14.407 387 HB3 ARG2060 2HB ARG2060 5.153 -6.123 13.794 388 HG2 ARG2060 1HG ARG2060 3.235 -6.242 12.104 389 HG3 ARG2060 2HG ARG2060 2.610 -7.618 13.028 390 HD2 ARG2060 1HD ARG2060 3.201 -5.578 14.923 391 HD3 ARG2060 2HD ARG2060 2.370 -4.771 13.583 392 HE ARG2060 HE ARG2060 0.413 -5.979 14.102 393 HH11 ARG2060 2HH2 ARG2060 3.150 -7.314 15.915 394 HH12 ARG2060 1HH2 ARG2060 2.155 -8.312 16.922 395 H GLY2061 H GLY2061 3.447 -8.240 10.767 396 HA2 GLY2061 2HA GLY2061 3.418 -11.131 11.404 397 HA3 GLY2061 3HA GLY2061 1.960 -10.178 11.204 398 HA PRO2062 HA PRO2062 4.083 -10.762 6.976 399 HB2 PRO2062 1HB PRO2062 5.804 -12.871 6.741 400 HB3 PRO2062 2HB PRO2062 6.341 -11.212 6.996 401 HG2 PRO2062 1HG PRO2062 6.181 -13.466 8.893 402 HG3 PRO2062 2HG PRO2062 7.157 -11.959 9.019 403 HD2 PRO2062 1HD PRO2062 4.745 -12.640 10.405 404 HD3 PRO2062 2HD PRO2062 5.581 -11.082 10.444 405 H GLN2063 H GLN2063 4.667 -14.126 7.400 406 HA GLN2063 HA GLN2063 2.091 -15.027 7.422 407 HB2 GLN2063 1HB GLN2063 2.718 -13.833 4.911 408 HB3 GLN2063 2HB GLN2063 2.651 -15.584 4.640 409 HG2 GLN2063 1HG GLN2063 0.489 -14.460 6.351 410 HG3 GLN2063 2HG GLN2063 0.456 -13.929 4.664 411 HE21 GLN2063 1HE2 GLN2063 -0.524 -16.230 6.828 412 HE22 GLN2063 2HE2 GLN2063 -0.908 -17.540 5.762 413 H THR2064 H THR2064 4.522 -15.951 4.911 414 HA THR2064 HA THR2064 5.665 -17.969 6.624 415 HB THR2064 HB THR2064 4.941 -19.701 4.714 416 HG1 THR2064 1HG THR2064 3.865 -17.630 3.733 417 HG21 THR2064 3HG2 THR2064 3.144 -20.454 6.071 418 HG22 THR2064 1HG2 THR2064 4.130 -19.538 7.238 419 HG23 THR2064 2HG2 THR2064 2.675 -18.799 6.528 420 H LEU2065 H LEU2065 6.899 -19.551 4.715 421 HA LEU2065 HA LEU2065 8.935 -17.773 3.875 422 HB2 LEU2065 1HB LEU2065 8.843 -20.358 4.553 423 HB3 LEU2065 2HB LEU2065 8.809 -20.525 2.789 424 HG LEU2065 HG LEU2065 11.072 -20.714 3.627 425 HD11 LEU2065 1HD1 LEU2065 11.361 -18.041 2.448 426 HD12 LEU2065 2HD1 LEU2065 11.950 -19.623 1.883 427 HD13 LEU2065 3HD1 LEU2065 10.276 -19.121 1.541 428 HD21 LEU2065 3HD2 LEU2065 12.077 -19.358 5.132 429 HD22 LEU2065 1HD2 LEU2065 11.256 -17.895 4.537 430 HD23 LEU2065 2HD2 LEU2065 10.393 -19.027 5.606 431 H LYS2066 H LYS2066 5.999 -19.085 2.431 432 HA LYS2066 HA LYS2066 6.833 -18.539 -0.254 433 HB2 LYS2066 1HB LYS2066 5.259 -20.352 0.398 434 HB3 LYS2066 2HB LYS2066 4.057 -19.119 0.815 435 HG2 LYS2066 1HG LYS2066 4.464 -18.221 -1.595 436 HG3 LYS2066 2HG LYS2066 5.233 -19.786 -1.906 437 HD2 LYS2066 1HD LYS2066 3.183 -20.963 -1.326 438 HD3 LYS2066 2HD LYS2066 2.409 -19.460 -0.793 439 HE2 LYS2066 1HE LYS2066 1.835 -18.897 -2.914 440 HE3 LYS2066 2HE LYS2066 3.441 -19.287 -3.551 441 HZ1 LYS2066 2HZ LYS2066 1.742 -21.537 -2.786 442 HZ3 LYS2066 1HZ LYS2066 2.776 -21.411 -4.039 443 H GLU2067 H GLU2067 4.269 -17.134 1.914 444 HA GLU2067 HA GLU2067 3.706 -15.004 0.308 445 HB2 GLU2067 1HB GLU2067 2.730 -15.934 2.635 446 HB3 GLU2067 2HB GLU2067 3.656 -14.565 3.275 447 HG2 GLU2067 1HG GLU2067 1.434 -13.766 2.814 448 HG3 GLU2067 2HG GLU2067 2.476 -13.103 1.546 449 HE2 GLU2067 HE GLU2067 0.709 -14.636 -0.937 450 H THR2068 H THR2068 6.574 -15.657 2.162 451 HA THR2068 HA THR2068 7.423 -13.104 2.839 452 HB THR2068 HB THR2068 8.535 -15.828 2.476 453 HG1 THR2068 1HG THR2068 8.731 -15.236 4.599 454 HG21 THR2068 3HG2 THR2068 10.094 -14.405 0.994 455 HG22 THR2068 1HG2 THR2068 10.440 -13.435 2.447 456 HG23 THR2068 2HG2 THR2068 10.873 -15.162 2.406 457 H SER2069 H SER2069 7.146 -14.641 -0.317 458 HA SER2069 HA SER2069 8.988 -12.915 -1.569 459 HB2 SER2069 1HB SER2069 7.509 -15.213 -2.251 460 HB3 SER2069 2HB SER2069 6.923 -13.958 -3.355 461 HG SER2069 HG SER2069 9.340 -15.311 -3.321 462 H PHE2070 H PHE2070 5.433 -12.949 -1.011 463 HA PHE2070 HA PHE2070 4.811 -10.815 -2.701 464 HB2 PHE2070 1HB PHE2070 3.262 -12.509 -1.602 465 HB3 PHE2070 2HB PHE2070 3.578 -11.751 -0.038 466 HD1 PHE2070 2HD PHE2070 2.783 -9.402 0.340 467 HD2 PHE2070 1HD PHE2070 1.650 -11.641 -3.081 468 HE1 PHE2070 2HE PHE2070 0.869 -7.828 -0.056 469 HE2 PHE2070 1HE PHE2070 -0.264 -10.068 -3.477 470 HZ PHE2070 HZ PHE2070 -0.634 -8.181 -1.960 471 H ASN2071 H ASN2071 5.485 -10.932 0.867 472 HA ASN2071 HA ASN2071 5.122 -8.216 1.247 473 HB2 ASN2071 1HB ASN2071 5.266 -10.060 3.015 474 HB3 ASN2071 2HB ASN2071 7.025 -10.031 2.814 475 HD21 ASN2071 1HD2 ASN2071 6.611 -9.571 5.200 476 HD22 ASN2071 2HD2 ASN2071 6.547 -7.908 5.680 477 H GLN2072 H GLN2072 7.810 -10.203 0.038 478 HA GLN2072 HA GLN2072 9.771 -8.189 0.445 479 HB2 GLN2072 1HB GLN2072 9.648 -10.938 -0.693 480 HB3 GLN2072 2HB GLN2072 10.925 -9.897 -1.347 481 HG2 GLN2072 1HG GLN2072 11.530 -9.368 1.094 482 HG3 GLN2072 2HG GLN2072 10.454 -10.694 1.556 483 HE21 GLN2072 1HE2 GLN2072 13.554 -9.810 0.775 484 HE22 GLN2072 2HE2 GLN2072 14.246 -11.350 0.391 485 H ALA2073 H ALA2073 8.004 -9.574 -2.408 486 HA ALA2073 HA ALA2073 9.106 -8.192 -4.435 487 HB1 ALA2073 3HB ALA2073 6.319 -8.066 -4.888 488 HB2 ALA2073 1HB ALA2073 7.440 -9.355 -5.395 489 HB3 ALA2073 2HB ALA2073 6.576 -9.485 -3.843 490 H TYR2074 H TYR2074 6.474 -6.983 -2.245 491 HA TYR2074 HA TYR2074 6.882 -4.313 -3.348 492 HB2 TYR2074 1HB TYR2074 4.947 -5.471 -1.256 493 HB3 TYR2074 2HB TYR2074 4.761 -3.912 -2.062 494 HD1 TYR2074 2HD TYR2074 5.071 -4.390 -4.852 495 HD2 TYR2074 1HD TYR2074 3.311 -6.956 -1.915 496 HE1 TYR2074 2HE TYR2074 3.676 -5.510 -6.658 497 HE2 TYR2074 1HE TYR2074 1.922 -8.069 -3.731 498 HH TYR2074 HH TYR2074 2.014 -8.419 -6.104 499 H GLY2075 H GLY2075 7.958 -6.293 -0.749 500 HA2 GLY2075 2HA GLY2075 8.018 -4.842 1.506 501 HA3 GLY2075 3HA GLY2075 9.387 -5.772 0.931 502 H ARG2076 H ARG2076 10.266 -4.373 -1.316 503 HA ARG2076 HA ARG2076 11.449 -2.142 -0.026 504 HB2 ARG2076 1HB ARG2076 12.088 -3.884 -2.178 505 HB3 ARG2076 2HB ARG2076 11.987 -2.267 -2.896 506 HG2 ARG2076 1HG ARG2076 13.787 -3.268 -0.676 507 HG3 ARG2076 2HG ARG2076 14.250 -2.461 -2.184 508 HD2 ARG2076 1HD ARG2076 12.633 -0.564 -0.995 509 HD3 ARG2076 2HD ARG2076 13.399 -1.303 0.420 510 HE ARG2076 HE ARG2076 14.716 0.257 -1.712 511 HH11 ARG2076 2HH2 ARG2076 15.159 -1.926 1.044 512 HH12 ARG2076 1HH2 ARG2076 16.812 -1.474 1.294 513 H ASP2077 H ASP2077 9.224 -2.726 -2.824 514 HA ASP2077 HA ASP2077 9.043 -0.233 -3.812 515 HB2 ASP2077 1HB ASP2077 6.871 -2.320 -3.376 516 HB3 ASP2077 2HB ASP2077 6.610 -0.870 -4.356 517 HD2 ASP2077 HD ASP2077 8.528 -2.068 -7.001 518 H LEU2078 H LEU2078 6.856 -1.725 -1.293 519 HA LEU2078 HA LEU2078 5.426 0.554 -0.692 520 HB2 LEU2078 1HB LEU2078 6.139 -1.890 0.901 521 HB3 LEU2078 2HB LEU2078 5.066 -0.627 1.529 522 HG LEU2078 HG LEU2078 4.614 -2.340 -0.929 523 HD11 LEU2078 1HD1 LEU2078 4.088 -3.792 0.743 524 HD12 LEU2078 2HD1 LEU2078 3.696 -2.500 1.904 525 HD13 LEU2078 3HD1 LEU2078 2.538 -2.928 0.622 526 HD21 LEU2078 3HD2 LEU2078 2.980 -0.079 0.239 527 HD22 LEU2078 1HD2 LEU2078 3.662 -0.215 -1.400 528 HD23 LEU2078 2HD2 LEU2078 2.326 -1.281 -0.899 529 H MET2079 H MET2079 8.647 -0.542 0.410 530 HA MET2079 HA MET2079 8.898 1.215 2.524 531 HB2 MET2079 1HB MET2079 10.380 -0.790 1.673 532 HB3 MET2079 2HB MET2079 11.203 0.428 0.683 533 HG2 MET2079 1HG MET2079 12.469 0.945 2.486 534 HG3 MET2079 2HG MET2079 11.018 1.539 3.299 535 HE1 MET2079 3HE MET2079 9.894 -1.297 5.541 536 HE2 MET2079 1HE MET2079 9.940 0.460 5.266 537 HE3 MET2079 2HE MET2079 9.191 -0.610 4.056 538 H GLU2080 H GLU2080 9.609 1.599 -0.991 539 HA GLU2080 HA GLU2080 10.874 4.058 -0.746 540 HB2 GLU2080 1HB GLU2080 10.912 2.521 -2.740 541 HB3 GLU2080 2HB GLU2080 9.263 3.043 -3.128 542 HG2 GLU2080 1HG GLU2080 9.949 5.176 -3.748 543 HG3 GLU2080 2HG GLU2080 11.364 5.159 -2.686 544 HE2 GLU2080 HE GLU2080 13.330 3.446 -5.023 545 H ALA2081 H ALA2081 7.453 3.243 -1.687 546 HA ALA2081 HA ALA2081 6.523 5.814 -1.928 547 HB1 ALA2081 3HB ALA2081 4.980 3.457 -0.785 548 HB2 ALA2081 1HB ALA2081 4.335 4.833 -1.712 549 HB3 ALA2081 2HB ALA2081 5.376 3.628 -2.512 550 H GLN2082 H GLN2082 6.856 3.744 1.010 551 HA GLN2082 HA GLN2082 5.561 5.446 2.739 552 HB2 GLN2082 1HB GLN2082 6.202 3.108 3.245 553 HB3 GLN2082 2HB GLN2082 7.907 3.585 3.324 554 HG2 GLN2082 1HG GLN2082 7.666 4.304 5.446 555 HG3 GLN2082 2HG GLN2082 6.278 5.317 5.017 556 HE21 GLN2082 1HE2 GLN2082 7.318 2.802 6.858 557 HE22 GLN2082 2HE2 GLN2082 5.829 1.973 7.171 558 H GLU2083 H GLU2083 8.992 5.348 1.638 559 HA GLU2083 HA GLU2083 9.976 7.193 3.421 560 HB2 GLU2083 1HB GLU2083 11.862 6.688 2.323 561 HB3 GLU2083 2HB GLU2083 10.907 5.764 1.151 562 HG2 GLU2083 1HG GLU2083 10.607 7.770 -0.226 563 HG3 GLU2083 2HG GLU2083 11.446 8.766 0.974 564 HE2 GLU2083 HE GLU2083 13.636 7.471 -1.783 565 H TRP2084 H TRP2084 8.266 7.604 0.292 566 HA TRP2084 HA TRP2084 8.737 10.384 0.097 567 HB2 TRP2084 1HB TRP2084 6.681 8.568 -1.157 568 HB3 TRP2084 2HB TRP2084 6.855 10.277 -1.552 569 HD1 TRP2084 HD TRP2084 8.384 6.891 -2.319 570 HE1 TRP2084 1HE TRP2084 10.322 7.054 -4.100 571 HE3 TRP2084 3HE TRP2084 8.727 11.963 -2.249 572 HZ2 TRP2084 2HZ TRP2084 11.751 9.240 -5.255 573 HZ3 TRP2084 3HZ TRP2084 10.421 13.032 -3.734 574 HH2 TRP2084 HH TRP2084 11.901 11.757 -5.200 575 H CYS2085 H CYS2085 6.377 8.277 1.746 576 HA CYS2085 HA CYS2085 4.412 10.170 2.226 577 HB2 CYS2085 1HB CYS2085 5.213 7.834 3.978 578 HB3 CYS2085 2HB CYS2085 3.655 8.683 4.011 579 HG CYS2085 HG CYS2085 3.783 8.256 1.113 580 H ARG2086 H ARG2086 7.153 9.031 4.344 581 HA ARG2086 HA ARG2086 6.726 10.853 6.339 582 HB2 ARG2086 1HB ARG2086 9.299 9.543 5.362 583 HB3 ARG2086 2HB ARG2086 9.189 10.431 6.890 584 HG2 ARG2086 1HG ARG2086 8.309 8.632 7.915 585 HG3 ARG2086 2HG ARG2086 7.011 8.517 6.713 586 HD2 ARG2086 1HD ARG2086 8.255 6.438 6.684 587 HD3 ARG2086 2HD ARG2086 8.643 7.306 5.191 588 HE ARG2086 HE ARG2086 10.600 8.133 6.980 589 HH11 ARG2086 2HH2 ARG2086 9.494 4.967 5.835 590 HH12 ARG2086 1HH2 ARG2086 11.040 4.214 6.037 591 H LYS2087 H LYS2087 8.543 11.099 3.253 592 HA LYS2087 HA LYS2087 9.886 13.488 3.833 593 HB2 LYS2087 1HB LYS2087 10.667 12.130 2.070 594 HB3 LYS2087 2HB LYS2087 9.094 12.126 1.253 595 HG2 LYS2087 1HG LYS2087 9.995 14.851 1.682 596 HG3 LYS2087 2HG LYS2087 11.263 13.929 0.858 597 HD2 LYS2087 1HD LYS2087 10.060 13.801 -1.063 598 HD3 LYS2087 2HD LYS2087 8.557 13.409 -0.212 599 HE2 LYS2087 1HE LYS2087 7.907 15.496 -0.846 600 HE3 LYS2087 2HE LYS2087 8.927 16.062 0.486 601 HZ1 LYS2087 2HZ LYS2087 10.454 15.581 -1.877 602 HZ3 LYS2087 1HZ LYS2087 10.342 16.951 -1.003 603 H TYR2088 H TYR2088 6.579 12.738 2.730 604 HA TYR2088 HA TYR2088 6.004 15.455 2.034 605 HB2 TYR2088 1HB TYR2088 4.735 13.747 0.926 606 HB3 TYR2088 2HB TYR2088 4.607 12.769 2.390 607 HD1 TYR2088 1HD TYR2088 2.902 13.303 4.101 608 HD2 TYR2088 2HD TYR2088 3.144 15.487 0.428 609 HE1 TYR2088 1HE TYR2088 0.568 14.234 4.491 610 HE2 TYR2088 2HE TYR2088 0.810 16.408 0.832 611 HH TYR2088 HH TYR2088 -0.595 16.657 3.477 612 H MET2089 H MET2089 5.224 13.233 4.789 613 HA MET2089 HA MET2089 3.603 14.996 6.138 614 HB2 MET2089 1HB MET2089 5.457 12.736 7.007 615 HB3 MET2089 2HB MET2089 4.432 13.575 8.183 616 HG2 MET2089 1HG MET2089 2.528 13.030 6.386 617 HG3 MET2089 2HG MET2089 3.651 11.756 5.902 618 HE1 MET2089 3HE MET2089 0.830 12.323 7.166 619 HE2 MET2089 1HE MET2089 0.577 10.684 7.811 620 HE3 MET2089 2HE MET2089 0.674 12.072 8.922 621 H LYS2090 H LYS2090 7.144 14.805 5.896 622 HA LYS2090 HA LYS2090 7.448 16.733 8.051 623 HB2 LYS2090 1HB LYS2090 8.928 14.568 7.286 624 HB3 LYS2090 2HB LYS2090 9.836 15.897 6.545 625 HG2 LYS2090 1HG LYS2090 8.885 16.250 9.368 626 HG3 LYS2090 2HG LYS2090 10.231 15.128 9.100 627 HD2 LYS2090 1HD LYS2090 11.615 16.903 9.036 628 HD3 LYS2090 2HD LYS2090 10.814 17.442 7.549 629 HE2 LYS2090 1HE LYS2090 9.213 18.756 8.834 630 HE3 LYS2090 2HE LYS2090 9.819 18.100 10.362 631 HZ1 LYS2090 2HZ LYS2090 10.725 20.366 9.100 632 HZ3 LYS2090 1HZ LYS2090 11.906 19.283 8.807 633 H SER2091 H SER2091 8.355 16.368 4.548 634 HA SER2091 HA SER2091 9.053 19.084 4.361 635 HB2 SER2091 1HB SER2091 9.813 17.080 2.911 636 HB3 SER2091 2HB SER2091 8.299 17.301 2.019 637 HG SER2091 HG SER2091 9.111 19.045 1.059 638 H GLY2092 H GLY2092 6.359 17.194 2.785 639 HA2 GLY2092 2HA GLY2092 4.112 17.819 2.823 640 HA3 GLY2092 3HA GLY2092 4.556 19.458 3.254 641 H ASN2093 H ASN2093 4.251 17.100 0.608 642 HA ASN2093 HA ASN2093 3.940 19.274 -1.207 643 HB2 ASN2093 1HB ASN2093 6.455 17.790 -1.053 644 HB3 ASN2093 2HB ASN2093 5.703 17.550 -2.637 645 HD21 ASN2093 1HD2 ASN2093 5.672 19.154 -4.088 646 HD22 ASN2093 2HD2 ASN2093 6.350 20.731 -3.862 647 H VAL2094 H VAL2094 2.246 18.631 -2.559 648 HA VAL2094 HA VAL2094 1.164 16.053 -2.352 649 HB VAL2094 HB VAL2094 0.069 18.298 -2.923 650 HG11 VAL2094 1HG1 VAL2094 0.888 17.488 -5.732 651 HG12 VAL2094 2HG1 VAL2094 -0.142 18.864 -5.275 652 HG13 VAL2094 3HG1 VAL2094 1.579 18.849 -4.816 653 HG21 VAL2094 3HG2 VAL2094 -1.697 17.181 -4.284 654 HG22 VAL2094 1HG2 VAL2094 -0.613 15.782 -4.478 655 HG23 VAL2094 2HG2 VAL2094 -1.195 16.236 -2.860 656 H LYS2095 H LYS2095 3.326 17.650 -4.742 657 HA LYS2095 HA LYS2095 3.247 15.805 -6.752 658 HB2 LYS2095 1HB LYS2095 4.414 17.790 -7.121 659 HB3 LYS2095 2HB LYS2095 5.444 17.579 -5.696 660 HG2 LYS2095 1HG LYS2095 6.784 17.052 -7.618 661 HG3 LYS2095 2HG LYS2095 6.404 15.505 -6.840 662 HD2 LYS2095 1HD LYS2095 4.288 15.714 -8.539 663 HD3 LYS2095 2HD LYS2095 5.503 16.609 -9.472 664 HE2 LYS2095 1HE LYS2095 6.842 14.316 -8.503 665 HE3 LYS2095 2HE LYS2095 5.252 13.727 -9.013 666 HZ1 LYS2095 2HZ LYS2095 5.899 13.966 -11.138 667 HZ3 LYS2095 1HZ LYS2095 7.398 14.375 -10.649 668 H ASP2096 H ASP2096 5.357 15.766 -3.800 669 HA ASP2096 HA ASP2096 6.537 13.336 -4.461 670 HB2 ASP2096 1HB ASP2096 7.680 13.619 -2.499 671 HB3 ASP2096 2HB ASP2096 6.994 15.248 -2.584 672 HD2 ASP2096 HD ASP2096 5.341 14.879 0.355 673 H LEU2097 H LEU2097 3.596 14.320 -2.649 674 HA LEU2097 HA LEU2097 3.069 11.861 -1.421 675 HB2 LEU2097 1HB LEU2097 2.128 14.155 -0.936 676 HB3 LEU2097 2HB LEU2097 1.018 13.889 -2.290 677 HG LEU2097 HG LEU2097 1.205 12.320 0.292 678 HD11 LEU2097 1HD1 LEU2097 -1.397 13.375 -0.456 679 HD12 LEU2097 2HD1 LEU2097 -0.471 13.569 1.051 680 HD13 LEU2097 3HD1 LEU2097 -0.173 14.659 -0.324 681 HD21 LEU2097 3HD2 LEU2097 -0.062 11.629 -2.314 682 HD22 LEU2097 1HD2 LEU2097 0.648 10.581 -1.061 683 HD23 LEU2097 2HD2 LEU2097 -0.975 11.273 -0.828 684 H THR2098 H THR2098 2.091 13.258 -4.607 685 HA THR2098 HA THR2098 0.430 11.129 -5.353 686 HB THR2098 HB THR2098 2.023 13.258 -6.860 687 HG1 THR2098 1HG THR2098 0.221 14.054 -5.692 688 HG21 THR2098 3HG2 THR2098 -0.104 12.507 -8.484 689 HG22 THR2098 1HG2 THR2098 1.587 12.018 -8.756 690 HG23 THR2098 2HG2 THR2098 0.474 10.932 -7.891 691 H GLN2099 H GLN2099 3.955 11.705 -5.898 692 HA GLN2099 HA GLN2099 4.388 9.551 -7.512 693 HB2 GLN2099 1HB GLN2099 5.931 11.473 -6.122 694 HB3 GLN2099 2HB GLN2099 6.611 9.902 -5.667 695 HG2 GLN2099 1HG GLN2099 5.962 10.161 -8.544 696 HG3 GLN2099 2HG GLN2099 7.202 11.297 -7.991 697 HE21 GLN2099 1HE2 GLN2099 6.571 8.242 -9.131 698 HE22 GLN2099 2HE2 GLN2099 8.034 7.426 -8.692 699 H ALA2100 H ALA2100 4.517 9.738 -3.890 700 HA ALA2100 HA ALA2100 5.275 7.117 -3.436 701 HB1 ALA2100 3HB ALA2100 3.336 8.513 -1.609 702 HB2 ALA2100 1HB ALA2100 4.812 7.602 -1.216 703 HB3 ALA2100 2HB ALA2100 4.934 9.247 -1.884 704 H TRP2101 H TRP2101 1.993 8.588 -3.834 705 HA TRP2101 HA TRP2101 0.555 6.255 -3.326 706 HB2 TRP2101 1HB TRP2101 0.034 8.922 -4.049 707 HB3 TRP2101 2HB TRP2101 -0.751 7.922 -5.273 708 HD1 TRP2101 HD TRP2101 -1.316 9.234 -1.834 709 HE1 TRP2101 1HE TRP2101 -3.420 8.174 -0.650 710 HE3 TRP2101 3HE TRP2101 -1.931 5.440 -5.162 711 HZ2 TRP2101 2HZ TRP2101 -5.070 5.915 -1.223 712 HZ3 TRP2101 3HZ TRP2101 -3.813 3.851 -4.777 713 HH2 TRP2101 HH TRP2101 -5.353 4.043 -2.888 714 H ASP2102 H ASP2102 2.238 7.546 -6.212 715 HA ASP2102 HA ASP2102 1.095 5.953 -8.114 716 HB2 ASP2102 1HB ASP2102 3.197 7.776 -7.958 717 HB3 ASP2102 2HB ASP2102 4.023 6.279 -8.411 718 HD2 ASP2102 HD ASP2102 3.317 6.985 -11.655 719 H LEU2103 H LEU2103 4.016 5.417 -6.012 720 HA LEU2103 HA LEU2103 4.717 2.931 -7.036 721 HB2 LEU2103 1HB LEU2103 5.191 4.378 -4.463 722 HB3 LEU2103 2HB LEU2103 5.739 2.704 -4.658 723 HG LEU2103 HG LEU2103 6.872 3.649 -6.832 724 HD11 LEU2103 1HD1 LEU2103 6.601 6.168 -5.165 725 HD12 LEU2103 2HD1 LEU2103 7.609 5.974 -6.620 726 HD13 LEU2103 3HD1 LEU2103 5.836 5.860 -6.742 727 HD21 LEU2103 3HD2 LEU2103 8.893 3.746 -5.696 728 HD22 LEU2103 1HD2 LEU2103 8.168 4.487 -4.250 729 HD23 LEU2103 2HD2 LEU2103 7.877 2.769 -4.608 730 H TYR2104 H TYR2104 2.677 3.785 -4.156 731 HA TYR2104 HA TYR2104 2.059 1.210 -3.396 732 HB2 TYR2104 1HB TYR2104 0.638 3.923 -3.411 733 HB3 TYR2104 2HB TYR2104 -0.122 2.530 -2.634 734 HD1 TYR2104 2HD TYR2104 2.318 1.257 -1.415 735 HD2 TYR2104 1HD TYR2104 1.072 5.347 -1.593 736 HE1 TYR2104 2HE TYR2104 3.622 1.754 0.711 737 HE2 TYR2104 1HE TYR2104 2.379 5.830 0.533 738 HH TYR2104 HH TYR2104 3.189 4.616 2.462 739 H TYR2105 H TYR2105 0.074 3.424 -5.499 740 HA TYR2105 HA TYR2105 -1.941 1.689 -6.092 741 HB2 TYR2105 1HB TYR2105 -1.258 4.203 -6.746 742 HB3 TYR2105 2HB TYR2105 -0.560 3.449 -8.181 743 HD1 TYR2105 2HD TYR2105 -3.005 1.264 -7.904 744 HD2 TYR2105 1HD TYR2105 -2.662 5.498 -8.408 745 HE1 TYR2105 2HE TYR2105 -5.287 1.322 -9.024 746 HE2 TYR2105 1HE TYR2105 -4.944 5.541 -9.528 747 HH TYR2105 HH TYR2105 -6.948 2.658 -9.646 748 H HIS2106 H HIS2106 1.372 1.807 -7.452 749 HA HIS2106 HA HIS2106 0.870 0.132 -9.628 750 HB2 HIS2106 1HB HIS2106 3.076 1.475 -8.431 751 HB3 HIS2106 2HB HIS2106 3.550 -0.210 -8.690 752 HD1 HIS2106 1HD HIS2106 3.842 -1.003 -11.133 753 HD2 HIS2106 2HD HIS2106 2.530 2.966 -10.787 754 HE1 HIS2106 1HE HIS2106 4.060 0.026 -13.457 755 HE2 HIS2106 2HE HIS2106 3.245 2.473 -13.190 756 H VAL2107 H VAL2107 2.012 -0.531 -6.256 757 HA VAL2107 HA VAL2107 2.097 -3.349 -6.737 758 HB VAL2107 HB VAL2107 2.850 -3.515 -4.533 759 HG11 VAL2107 1HG1 VAL2107 4.633 -1.902 -4.367 760 HG12 VAL2107 2HG1 VAL2107 4.368 -2.269 -6.089 761 HG13 VAL2107 3HG1 VAL2107 3.752 -0.749 -5.399 762 HG21 VAL2107 3HG2 VAL2107 0.916 -2.195 -3.566 763 HG22 VAL2107 1HG2 VAL2107 2.488 -1.948 -2.771 764 HG23 VAL2107 2HG2 VAL2107 1.859 -0.722 -3.897 765 H PHE2108 H PHE2108 -0.191 -0.963 -5.359 766 HA PHE2108 HA PHE2108 -1.935 -2.901 -4.274 767 HB2 PHE2108 1HB PHE2108 -1.842 0.035 -4.959 768 HB3 PHE2108 2HB PHE2108 -3.460 -0.648 -4.766 769 HD1 PHE2108 1HD PHE2108 -3.988 -1.819 -2.566 770 HD2 PHE2108 2HD PHE2108 -0.565 0.632 -3.101 771 HE1 PHE2108 1HE PHE2108 -3.783 -1.561 -0.078 772 HE2 PHE2108 2HE PHE2108 -0.359 0.889 -0.613 773 HZ PHE2108 HZ PHE2108 -1.972 -0.211 0.869 774 H ARG2109 H ARG2109 -1.539 -1.393 -7.481 775 HA ARG2109 HA ARG2109 -4.081 -2.331 -8.349 776 HB2 ARG2109 1HB ARG2109 -3.549 -1.289 -10.445 777 HB3 ARG2109 2HB ARG2109 -2.864 -0.227 -9.203 778 HG2 ARG2109 1HG ARG2109 -0.913 -0.393 -10.326 779 HG3 ARG2109 2HG ARG2109 -0.804 -2.057 -9.729 780 HD2 ARG2109 1HD ARG2109 -2.528 -2.279 -11.904 781 HD3 ARG2109 2HD ARG2109 -1.378 -1.050 -12.453 782 HE ARG2109 HE ARG2109 -0.109 -3.376 -11.206 783 HH11 ARG2109 2HH2 ARG2109 -1.360 -2.053 -14.246 784 HH12 ARG2109 1HH2 ARG2109 -0.388 -3.087 -15.240 785 H ARG2110 H ARG2110 -0.748 -3.466 -8.227 786 HA ARG2110 HA ARG2110 -0.978 -5.292 -10.347 787 HB2 ARG2110 1HB ARG2110 1.154 -4.317 -9.225 788 HB3 ARG2110 2HB ARG2110 0.933 -5.567 -7.988 789 HG2 ARG2110 1HG ARG2110 0.942 -6.281 -10.930 790 HG3 ARG2110 2HG ARG2110 2.473 -6.063 -10.064 791 HD2 ARG2110 1HD ARG2110 0.635 -7.724 -8.524 792 HD3 ARG2110 2HD ARG2110 0.857 -8.396 -10.147 793 HE ARG2110 HE ARG2110 3.383 -7.596 -8.963 794 HH11 ARG2110 2HH2 ARG2110 0.958 -10.180 -8.938 795 HH12 ARG2110 1HH2 ARG2110 2.081 -11.398 -8.426 796 H ILE2111 H ILE2111 -1.059 -5.587 -6.722 797 HA ILE2111 HA ILE2111 -1.350 -8.245 -6.422 798 HB ILE2111 HB ILE2111 -2.821 -7.644 -4.446 799 HG12 ILE2111 1HG1 ILE2111 -2.378 -4.892 -5.600 800 HG13 ILE2111 2HG1 ILE2111 -3.915 -5.667 -5.181 801 HG21 ILE2111 1HG2 ILE2111 -0.969 -6.677 -3.209 802 HG22 ILE2111 2HG2 ILE2111 -0.378 -7.925 -4.332 803 HG23 ILE2111 3HG2 ILE2111 -0.171 -6.200 -4.728 804 HD11 ILE2111 3HD1 ILE2111 -3.028 -5.741 -2.758 805 HD12 ILE2111 1HD1 ILE2111 -1.749 -4.635 -3.312 806 HD13 ILE2111 2HD1 ILE2111 -3.455 -4.137 -3.400 807 H SER2112 H SER2112 -3.640 -5.987 -7.889 808 HA SER2112 HA SER2112 -5.741 -7.937 -7.791 809 HB2 SER2112 1HB SER2112 -5.665 -5.271 -9.254 810 HB3 SER2112 2HB SER2112 -7.110 -6.217 -8.858 811 HG SER2112 HG SER2112 -5.296 -4.935 -6.996 812 H LYS2113 H LYS2113 -3.796 -6.175 -10.312 813 HA LYS2113 HA LYS2113 -4.783 -7.398 -12.538 814 HB2 LYS2113 1HB LYS2113 -2.648 -5.710 -11.869 815 HB3 LYS2113 2HB LYS2113 -1.916 -7.063 -12.750 816 HG2 LYS2113 1HG LYS2113 -2.519 -5.666 -14.507 817 HG3 LYS2113 2HG LYS2113 -3.971 -6.678 -14.399 818 HD2 LYS2113 1HD LYS2113 -4.340 -4.562 -12.545 819 HD3 LYS2113 2HD LYS2113 -3.685 -3.806 -14.007 820 HE2 LYS2113 1HE LYS2113 -5.819 -3.853 -14.772 821 HE3 LYS2113 2HE LYS2113 -5.566 -5.586 -15.032 822 HZ1 LYS2113 2HZ LYS2113 -6.619 -4.406 -12.514 823 HZ3 LYS2113 1HZ LYS2113 -6.490 -5.996 -12.839 824 H GLN2114 H GLN2114 -3.765 -9.119 -13.938 825 HA GLN2114 HA GLN2114 -3.555 -11.303 -14.122 826 HB2 GLN2114 1HB GLN2114 -1.165 -10.143 -13.781 827 HB3 GLN2114 2HB GLN2114 -1.100 -11.238 -12.389 828 HG2 GLN2114 1HG GLN2114 -0.791 -13.046 -13.718 829 HG3 GLN2114 2HG GLN2114 -2.091 -12.571 -14.821 830 HE21 GLN2114 1HE2 GLN2114 0.614 -13.660 -15.285 831 HE22 GLN2114 2HE2 GLN2114 1.420 -12.559 -16.351 Start of MODEL 30 1 H MET2014 H MET2014 -4.070 -18.845 -9.809 2 HA MET2014 HA MET2014 -5.040 -21.092 -10.883 3 HB2 MET2014 1HB MET2014 -3.328 -20.451 -8.850 4 HB3 MET2014 2HB MET2014 -4.656 -21.136 -7.897 5 HG2 MET2014 1HG MET2014 -3.676 -23.145 -8.339 6 HG3 MET2014 2HG MET2014 -4.389 -22.989 -9.948 7 HE1 MET2014 3HE MET2014 -2.592 -24.149 -11.525 8 HE2 MET2014 1HE MET2014 -3.273 -22.572 -11.992 9 HE3 MET2014 2HE MET2014 -1.539 -22.895 -12.223 10 H GLU2015 H GLU2015 -6.363 -19.449 -7.923 11 HA GLU2015 HA GLU2015 -8.620 -21.242 -8.029 12 HB2 GLU2015 1HB GLU2015 -7.216 -19.852 -5.976 13 HB3 GLU2015 2HB GLU2015 -8.871 -19.219 -5.978 14 HG2 GLU2015 1HG GLU2015 -8.206 -22.190 -6.003 15 HG3 GLU2015 2HG GLU2015 -8.458 -21.277 -4.506 16 HE2 GLU2015 HE GLU2015 -11.539 -22.727 -6.314 17 H LEU2016 H LEU2016 -7.715 -17.843 -8.628 18 HA LEU2016 HA LEU2016 -9.685 -17.305 -10.404 19 HB2 LEU2016 1HB LEU2016 -10.796 -17.501 -7.796 20 HB3 LEU2016 2HB LEU2016 -10.885 -15.808 -8.311 21 HG LEU2016 HG LEU2016 -11.733 -17.607 -10.427 22 HD11 LEU2016 1HD1 LEU2016 -12.841 -18.068 -7.691 23 HD12 LEU2016 2HD1 LEU2016 -13.958 -18.085 -9.076 24 HD13 LEU2016 3HD1 LEU2016 -12.578 -19.207 -9.033 25 HD21 LEU2016 3HD2 LEU2016 -12.169 -15.164 -10.265 26 HD22 LEU2016 1HD2 LEU2016 -13.635 -16.140 -10.522 27 HD23 LEU2016 2HD2 LEU2016 -13.272 -15.486 -8.907 28 H ILE2017 H ILE2017 -10.263 -14.626 -10.048 29 HA ILE2017 HA ILE2017 -7.960 -13.379 -10.753 30 HB ILE2017 HB ILE2017 -10.617 -12.563 -9.785 31 HG12 ILE2017 1HG1 ILE2017 -9.620 -10.919 -11.854 32 HG13 ILE2017 2HG1 ILE2017 -9.069 -12.566 -12.208 33 HG21 ILE2017 1HG2 ILE2017 -8.321 -10.586 -9.748 34 HG22 ILE2017 2HG2 ILE2017 -10.047 -10.202 -9.556 35 HG23 ILE2017 3HG2 ILE2017 -9.212 -11.182 -8.328 36 HD11 ILE2017 3HD1 ILE2017 -11.341 -12.002 -13.162 37 HD12 ILE2017 1HD1 ILE2017 -11.355 -13.410 -12.073 38 HD13 ILE2017 2HD1 ILE2017 -11.945 -11.832 -11.497 39 H ARG2018 H ARG2018 -9.407 -13.520 -7.428 40 HA ARG2018 HA ARG2018 -6.815 -13.613 -6.326 41 HB2 ARG2018 1HB ARG2018 -6.962 -11.524 -4.997 42 HB3 ARG2018 2HB ARG2018 -6.963 -11.162 -6.733 43 HG2 ARG2018 1HG ARG2018 -8.733 -9.839 -6.077 44 HG3 ARG2018 2HG ARG2018 -9.627 -11.341 -6.372 45 HD2 ARG2018 1HD ARG2018 -9.686 -11.868 -4.034 46 HD3 ARG2018 2HD ARG2018 -8.465 -10.648 -3.640 47 HE ARG2018 HE ARG2018 -11.312 -10.221 -3.910 48 HH11 ARG2018 2HH2 ARG2018 -8.196 -8.643 -4.506 49 HH12 ARG2018 1HH2 ARG2018 -8.844 -7.042 -4.386 50 H VAL2019 H VAL2019 -7.250 -13.047 -3.676 51 HA VAL2019 HA VAL2019 -9.627 -14.661 -3.053 52 HB VAL2019 HB VAL2019 -7.848 -15.960 -2.409 53 HG11 VAL2019 1HG1 VAL2019 -6.054 -14.409 -2.965 54 HG12 VAL2019 2HG1 VAL2019 -6.393 -13.454 -1.502 55 HG13 VAL2019 3HG1 VAL2019 -5.772 -15.115 -1.355 56 HG21 VAL2019 3HG2 VAL2019 -8.584 -14.215 -0.048 57 HG22 VAL2019 1HG2 VAL2019 -9.232 -15.813 -0.490 58 HG23 VAL2019 2HG2 VAL2019 -7.561 -15.663 0.106 59 HA PRO2020 HA PRO2020 -10.970 -11.033 -1.058 60 HB2 PRO2020 1HB PRO2020 -13.343 -11.998 -0.109 61 HB3 PRO2020 2HB PRO2020 -13.142 -11.370 -1.745 62 HG2 PRO2020 1HG PRO2020 -13.327 -14.157 -0.791 63 HG3 PRO2020 2HG PRO2020 -13.608 -13.516 -2.450 64 HD2 PRO2020 1HD PRO2020 -11.343 -14.960 -1.458 65 HD3 PRO2020 2HD PRO2020 -11.501 -14.213 -3.052 66 H ILE2021 H ILE2021 -10.445 -14.056 0.455 67 HA ILE2021 HA ILE2021 -10.351 -12.649 3.032 68 HB ILE2021 HB ILE2021 -10.442 -15.112 3.872 69 HG12 ILE2021 1HG1 ILE2021 -10.299 -15.838 1.355 70 HG13 ILE2021 2HG1 ILE2021 -11.285 -16.751 2.511 71 HG21 ILE2021 1HG2 ILE2021 -12.925 -14.987 3.902 72 HG22 ILE2021 2HG2 ILE2021 -12.124 -13.477 4.401 73 HG23 ILE2021 3HG2 ILE2021 -12.834 -13.614 2.773 74 HD11 ILE2021 3HD1 ILE2021 -12.509 -14.460 0.959 75 HD12 ILE2021 1HD1 ILE2021 -12.305 -16.047 0.181 76 HD13 ILE2021 2HD1 ILE2021 -13.300 -15.895 1.649 77 H LEU2022 H LEU2022 -8.224 -11.791 2.406 78 HA LEU2022 HA LEU2022 -6.163 -13.440 3.384 79 HB2 LEU2022 1HB LEU2022 -6.736 -13.976 0.763 80 HB3 LEU2022 2HB LEU2022 -5.424 -12.791 0.629 81 HG LEU2022 HG LEU2022 -4.546 -14.592 2.572 82 HD11 LEU2022 1HD1 LEU2022 -5.564 -16.254 0.271 83 HD12 LEU2022 2HD1 LEU2022 -4.904 -16.783 1.836 84 HD13 LEU2022 3HD1 LEU2022 -6.512 -16.026 1.758 85 HD21 LEU2022 3HD2 LEU2022 -2.746 -14.806 1.207 86 HD22 LEU2022 1HD2 LEU2022 -3.731 -15.053 -0.254 87 HD23 LEU2022 2HD2 LEU2022 -3.512 -13.415 0.406 88 H TRP2023 H TRP2023 -3.932 -12.120 2.314 89 HA TRP2023 HA TRP2023 -4.009 -9.725 3.741 90 HB2 TRP2023 1HB TRP2023 -2.110 -11.112 1.941 91 HB3 TRP2023 2HB TRP2023 -1.863 -9.380 2.170 92 HD1 TRP2023 HD TRP2023 -3.238 -10.957 5.283 93 HE1 TRP2023 1HE TRP2023 -1.402 -11.315 7.145 94 HE3 TRP2023 3HE TRP2023 0.751 -10.050 2.263 95 HZ2 TRP2023 2HZ TRP2023 1.448 -11.183 7.144 96 HZ3 TRP2023 3HZ TRP2023 3.027 -10.185 3.273 97 HH2 TRP2023 HH TRP2023 3.409 -10.729 5.625 98 H HIS2024 H HIS2024 -4.149 -10.466 0.190 99 HA HIS2024 HA HIS2024 -4.192 -7.954 -0.802 100 HB2 HIS2024 1HB HIS2024 -6.085 -10.037 -1.851 101 HB3 HIS2024 2HB HIS2024 -5.123 -8.854 -2.746 102 HD1 HIS2024 1HD HIS2024 -5.201 -12.134 -2.990 103 HD2 HIS2024 2HD HIS2024 -2.174 -9.728 -1.366 104 HE1 HIS2024 1HE HIS2024 -3.052 -13.506 -3.116 105 HE2 HIS2024 2HE HIS2024 -1.218 -11.979 -2.101 106 H GLU2025 H GLU2025 -6.593 -9.515 1.222 107 HA GLU2025 HA GLU2025 -8.760 -7.916 0.452 108 HB2 GLU2025 1HB GLU2025 -8.847 -10.124 1.688 109 HB3 GLU2025 2HB GLU2025 -8.332 -9.266 3.149 110 HG2 GLU2025 1HG GLU2025 -10.827 -9.579 2.948 111 HG3 GLU2025 2HG GLU2025 -10.337 -7.885 3.116 112 HE2 GLU2025 HE GLU2025 -12.396 -7.371 0.403 113 H MET2026 H MET2026 -6.155 -7.615 2.905 114 HA MET2026 HA MET2026 -7.326 -5.362 4.136 115 HB2 MET2026 1HB MET2026 -5.384 -5.403 5.498 116 HB3 MET2026 2HB MET2026 -5.515 -7.096 4.997 117 HG2 MET2026 1HG MET2026 -3.293 -6.748 4.467 118 HG3 MET2026 2HG MET2026 -3.997 -6.173 2.952 119 HE1 MET2026 3HE MET2026 -1.411 -5.749 3.661 120 HE2 MET2026 1HE MET2026 -1.183 -4.055 3.167 121 HE3 MET2026 2HE MET2026 -0.923 -4.531 4.862 122 H TRP2027 H TRP2027 -5.126 -5.914 1.397 123 HA TRP2027 HA TRP2027 -4.089 -3.294 1.272 124 HB2 TRP2027 1HB TRP2027 -4.326 -5.524 -0.739 125 HB3 TRP2027 2HB TRP2027 -3.558 -3.977 -1.105 126 HD1 TRP2027 HD TRP2027 -3.099 -6.937 1.400 127 HE1 TRP2027 1HE TRP2027 -0.557 -7.216 2.050 128 HE3 TRP2027 3HE TRP2027 -1.455 -2.864 -1.160 129 HZ2 TRP2027 2HZ TRP2027 1.804 -5.736 1.434 130 HZ3 TRP2027 3HZ TRP2027 0.982 -2.350 -1.084 131 HH2 TRP2027 HH TRP2027 2.592 -3.709 0.156 132 H HIS2028 H HIS2028 -6.835 -5.025 -0.348 133 HA HIS2028 HA HIS2028 -7.642 -2.780 -1.829 134 HB2 HIS2028 1HB HIS2028 -8.554 -4.566 -2.806 135 HB3 HIS2028 2HB HIS2028 -8.577 -5.513 -1.315 136 HD1 HIS2028 1HD HIS2028 -10.691 -3.321 -3.488 137 HD2 HIS2028 2HD HIS2028 -10.970 -5.234 0.236 138 HE1 HIS2028 1HE HIS2028 -13.156 -3.251 -2.831 139 HE2 HIS2028 2HE HIS2028 -13.275 -4.440 -0.531 140 H GLU2029 H GLU2029 -8.611 -4.151 1.365 141 HA GLU2029 HA GLU2029 -10.702 -2.360 1.763 142 HB2 GLU2029 1HB GLU2029 -10.901 -4.090 3.233 143 HB3 GLU2029 2HB GLU2029 -9.150 -4.307 3.399 144 HG2 GLU2029 1HG GLU2029 -8.983 -2.720 5.091 145 HG3 GLU2029 2HG GLU2029 -10.397 -1.810 4.539 146 HE2 GLU2029 HE GLU2029 -10.944 -5.109 6.777 147 H GLY2030 H GLY2030 -7.220 -2.320 2.745 148 HA2 GLY2030 2HA GLY2030 -7.199 -0.062 4.325 149 HA3 GLY2030 3HA GLY2030 -5.870 -0.620 3.330 150 H LEU2031 H LEU2031 -6.478 -0.232 0.757 151 HA LEU2031 HA LEU2031 -6.345 2.543 0.454 152 HB2 LEU2031 1HB LEU2031 -6.996 0.446 -1.610 153 HB3 LEU2031 2HB LEU2031 -6.389 2.082 -1.918 154 HG LEU2031 HG LEU2031 -4.966 -0.374 -1.040 155 HD11 LEU2031 1HD1 LEU2031 -4.311 0.075 -3.152 156 HD12 LEU2031 2HD1 LEU2031 -4.654 1.815 -3.012 157 HD13 LEU2031 3HD1 LEU2031 -3.152 1.147 -2.330 158 HD21 LEU2031 3HD2 LEU2031 -4.427 0.760 0.910 159 HD22 LEU2031 1HD2 LEU2031 -3.081 1.183 -0.176 160 HD23 LEU2031 2HD2 LEU2031 -4.397 2.348 0.105 161 H GLU2032 H GLU2032 -9.044 0.228 0.481 162 HA GLU2032 HA GLU2032 -10.932 1.684 -0.822 163 HB2 GLU2032 1HB GLU2032 -10.833 -0.554 0.991 164 HB3 GLU2032 2HB GLU2032 -12.216 0.468 1.423 165 HG2 GLU2032 1HG GLU2032 -12.146 0.293 -1.428 166 HG3 GLU2032 2HG GLU2032 -11.914 -1.350 -0.814 167 HE2 GLU2032 HE GLU2032 -15.038 -1.114 0.975 168 H GLU2033 H GLU2033 -10.110 1.766 2.718 169 HA GLU2033 HA GLU2033 -11.891 3.950 3.113 170 HB2 GLU2033 1HB GLU2033 -11.094 2.027 4.754 171 HB3 GLU2033 2HB GLU2033 -9.787 3.165 5.129 172 HG2 GLU2033 1HG GLU2033 -11.172 4.432 6.380 173 HG3 GLU2033 2HG GLU2033 -12.365 4.536 5.076 174 HE2 GLU2033 HE GLU2033 -12.719 1.720 7.910 175 H ALA2034 H ALA2034 -8.298 3.452 3.124 176 HA ALA2034 HA ALA2034 -7.553 6.032 3.729 177 HB1 ALA2034 3HB ALA2034 -6.315 3.802 2.099 178 HB2 ALA2034 1HB ALA2034 -5.483 5.361 2.307 179 HB3 ALA2034 2HB ALA2034 -5.884 4.369 3.731 180 H SER2035 H SER2035 -8.241 4.533 0.498 181 HA SER2035 HA SER2035 -7.742 6.930 -0.872 182 HB2 SER2035 1HB SER2035 -8.418 5.766 -2.810 183 HB3 SER2035 2HB SER2035 -7.736 4.504 -1.771 184 HG SER2035 HG SER2035 -10.421 4.978 -2.568 185 H ARG2036 H ARG2036 -10.631 5.367 0.566 186 HA ARG2036 HA ARG2036 -12.577 6.809 -0.664 187 HB2 ARG2036 1HB ARG2036 -13.319 5.056 0.715 188 HB3 ARG2036 2HB ARG2036 -12.313 5.557 2.084 189 HG2 ARG2036 1HG ARG2036 -13.761 7.462 2.515 190 HG3 ARG2036 2HG ARG2036 -14.694 7.158 1.040 191 HD2 ARG2036 1HD ARG2036 -14.472 4.945 3.065 192 HD3 ARG2036 2HD ARG2036 -15.531 6.309 3.454 193 HE ARG2036 HE ARG2036 -16.103 5.487 0.791 194 HH11 ARG2036 2HH2 ARG2036 -16.402 4.208 4.082 195 HH12 ARG2036 1HH2 ARG2036 -17.767 3.213 3.704 196 H LEU2037 H LEU2037 -10.814 7.555 2.431 197 HA LEU2037 HA LEU2037 -12.100 10.070 2.732 198 HB2 LEU2037 1HB LEU2037 -10.760 10.342 4.627 199 HB3 LEU2037 2HB LEU2037 -11.205 8.628 4.562 200 HG LEU2037 HG LEU2037 -8.767 8.703 3.251 201 HD11 LEU2037 1HD1 LEU2037 -8.507 11.075 3.972 202 HD12 LEU2037 2HD1 LEU2037 -8.537 10.521 5.664 203 HD13 LEU2037 3HD1 LEU2037 -7.233 9.988 4.576 204 HD21 LEU2037 3HD2 LEU2037 -9.426 8.090 6.144 205 HD22 LEU2037 1HD2 LEU2037 -9.412 6.962 4.767 206 HD23 LEU2037 2HD2 LEU2037 -7.888 7.673 5.350 207 H TYR2038 H TYR2038 -8.979 8.907 1.372 208 HA TYR2038 HA TYR2038 -7.794 11.396 1.012 209 HB2 TYR2038 1HB TYR2038 -6.726 9.138 0.782 210 HB3 TYR2038 2HB TYR2038 -7.771 8.765 -0.592 211 HD1 TYR2038 2HD TYR2038 -5.556 11.661 0.340 212 HD2 TYR2038 1HD TYR2038 -6.585 8.706 -2.579 213 HE1 TYR2038 2HE TYR2038 -3.796 12.594 -1.239 214 HE2 TYR2038 1HE TYR2038 -4.822 9.650 -4.147 215 HH TYR2038 HH TYR2038 -3.587 11.526 -4.541 216 H PHE2039 H PHE2039 -9.679 9.389 -1.369 217 HA PHE2039 HA PHE2039 -9.651 11.423 -3.319 218 HB2 PHE2039 1HB PHE2039 -11.212 8.868 -2.717 219 HB3 PHE2039 2HB PHE2039 -11.654 9.848 -4.120 220 HD1 PHE2039 2HD PHE2039 -8.554 8.429 -2.576 221 HD2 PHE2039 1HD PHE2039 -10.756 9.179 -6.125 222 HE1 PHE2039 2HE PHE2039 -6.779 7.273 -3.923 223 HE2 PHE2039 1HE PHE2039 -8.982 8.023 -7.472 224 HZ PHE2039 HZ PHE2039 -7.015 7.083 -6.353 225 H GLY2040 H GLY2040 -12.110 10.311 -0.904 226 HA2 GLY2040 2HA GLY2040 -14.143 12.090 -1.729 227 HA3 GLY2040 3HA GLY2040 -14.030 11.247 -0.196 228 H GLU2041 H GLU2041 -12.146 12.165 1.314 229 HA GLU2041 HA GLU2041 -10.976 14.441 1.322 230 HB2 GLU2041 1HB GLU2041 -12.603 15.880 0.499 231 HB3 GLU2041 2HB GLU2041 -13.925 15.065 1.350 232 HG2 GLU2041 1HG GLU2041 -13.280 16.039 3.451 233 HG3 GLU2041 2HG GLU2041 -11.731 16.602 2.803 234 HE2 GLU2041 HE GLU2041 -13.100 19.583 1.901 235 H ARG2042 H ARG2042 -10.070 14.761 3.357 236 HA ARG2042 HA ARG2042 -11.383 14.624 5.718 237 HB2 ARG2042 1HB ARG2042 -11.644 12.151 4.931 238 HB3 ARG2042 2HB ARG2042 -9.925 11.979 5.320 239 HG2 ARG2042 1HG ARG2042 -12.280 12.441 7.130 240 HG3 ARG2042 2HG ARG2042 -10.896 11.354 7.350 241 HD2 ARG2042 1HD ARG2042 -9.442 13.335 7.771 242 HD3 ARG2042 2HD ARG2042 -10.843 14.402 7.587 243 HE ARG2042 HE ARG2042 -10.157 12.817 9.919 244 HH11 ARG2042 2HH2 ARG2042 -12.913 14.125 8.118 245 HH12 ARG2042 1HH2 ARG2042 -13.964 14.140 9.495 246 H ASN2043 H ASN2043 -8.379 13.322 4.134 247 HA ASN2043 HA ASN2043 -6.646 15.174 4.675 248 HB2 ASN2043 1HB ASN2043 -7.494 14.026 7.241 249 HB3 ASN2043 2HB ASN2043 -5.746 13.853 7.018 250 HD21 ASN2043 1HD2 ASN2043 -7.523 15.565 8.752 251 HD22 ASN2043 2HD2 ASN2043 -6.965 17.189 8.535 252 H VAL2044 H VAL2044 -4.280 14.274 4.857 253 HA VAL2044 HA VAL2044 -4.204 11.758 3.450 254 HB VAL2044 HB VAL2044 -1.946 12.302 2.997 255 HG11 VAL2044 1HG1 VAL2044 -3.989 14.435 2.747 256 HG12 VAL2044 2HG1 VAL2044 -2.304 14.948 2.497 257 HG13 VAL2044 3HG1 VAL2044 -2.991 13.643 1.502 258 HG21 VAL2044 3HG2 VAL2044 -2.052 14.628 4.934 259 HG22 VAL2044 1HG2 VAL2044 -1.447 13.017 5.392 260 HG23 VAL2044 2HG2 VAL2044 -0.635 13.939 4.104 261 H LYS2045 H LYS2045 -4.220 12.800 6.701 262 HA LYS2045 HA LYS2045 -2.327 10.974 7.749 263 HB2 LYS2045 1HB LYS2045 -3.306 11.562 9.902 264 HB3 LYS2045 2HB LYS2045 -2.971 13.007 8.931 265 HG2 LYS2045 1HG LYS2045 -5.113 13.610 9.298 266 HG3 LYS2045 2HG LYS2045 -5.600 12.284 8.227 267 HD2 LYS2045 1HD LYS2045 -5.957 10.805 10.051 268 HD3 LYS2045 2HD LYS2045 -5.039 11.817 11.179 269 HE2 LYS2045 1HE LYS2045 -7.618 12.727 9.837 270 HE3 LYS2045 2HE LYS2045 -7.598 11.904 11.405 271 HZ1 LYS2045 2HZ LYS2045 -7.309 13.982 12.209 272 HZ3 LYS2045 1HZ LYS2045 -6.879 14.618 10.772 273 H GLY2046 H GLY2046 -5.816 10.866 6.958 274 HA2 GLY2046 2HA GLY2046 -6.494 8.525 8.315 275 HA3 GLY2046 3HA GLY2046 -7.272 9.158 6.879 276 H MET2047 H MET2047 -5.523 8.970 4.832 277 HA MET2047 HA MET2047 -5.499 6.248 4.305 278 HB2 MET2047 1HB MET2047 -3.695 7.358 2.503 279 HB3 MET2047 2HB MET2047 -5.455 7.386 2.290 280 HG2 MET2047 1HG MET2047 -5.623 9.609 3.128 281 HG3 MET2047 2HG MET2047 -4.028 9.547 3.885 282 HE1 MET2047 3HE MET2047 -1.619 9.599 0.883 283 HE2 MET2047 1HE MET2047 -1.755 10.285 2.521 284 HE3 MET2047 2HE MET2047 -2.071 8.553 2.250 285 H PHE2048 H PHE2048 -2.965 8.513 5.468 286 HA PHE2048 HA PHE2048 -0.833 6.690 5.147 287 HB2 PHE2048 1HB PHE2048 -1.473 9.261 6.633 288 HB3 PHE2048 2HB PHE2048 0.026 8.423 7.050 289 HD1 PHE2048 2HD PHE2048 0.764 7.428 4.314 290 HD2 PHE2048 1HD PHE2048 -0.658 11.205 5.621 291 HE1 PHE2048 2HE PHE2048 1.907 8.530 2.372 292 HE2 PHE2048 1HE PHE2048 0.484 12.309 3.679 293 HZ PHE2048 HZ PHE2048 1.754 10.958 2.076 294 H GLU2049 H GLU2049 -3.070 7.516 7.850 295 HA GLU2049 HA GLU2049 -1.659 5.885 9.682 296 HB2 GLU2049 1HB GLU2049 -3.371 6.459 11.239 297 HB3 GLU2049 2HB GLU2049 -3.130 7.902 10.238 298 HG2 GLU2049 1HG GLU2049 -5.103 7.371 8.914 299 HG3 GLU2049 2HG GLU2049 -5.292 5.808 9.725 300 HE2 GLU2049 HE GLU2049 -7.527 7.496 11.730 301 H VAL2050 H VAL2050 -3.769 5.247 7.061 302 HA VAL2050 HA VAL2050 -4.997 2.922 8.242 303 HB VAL2050 HB VAL2050 -5.044 4.258 5.547 304 HG11 VAL2050 1HG1 VAL2050 -6.546 1.713 6.226 305 HG12 VAL2050 2HG1 VAL2050 -6.482 2.564 4.664 306 HG13 VAL2050 3HG1 VAL2050 -5.031 1.744 5.292 307 HG21 VAL2050 3HG2 VAL2050 -6.483 4.699 7.854 308 HG22 VAL2050 1HG2 VAL2050 -6.995 5.154 6.210 309 HG23 VAL2050 2HG2 VAL2050 -7.561 3.627 6.928 310 H LEU2051 H LEU2051 -2.439 3.712 5.812 311 HA LEU2051 HA LEU2051 -1.853 0.943 5.393 312 HB2 LEU2051 1HB LEU2051 -0.433 3.469 4.566 313 HB3 LEU2051 2HB LEU2051 0.005 1.837 4.033 314 HG LEU2051 HG LEU2051 -1.599 1.801 2.469 315 HD11 LEU2051 1HD1 LEU2051 -3.334 1.594 4.274 316 HD12 LEU2051 2HD1 LEU2051 -3.532 3.362 4.195 317 HD13 LEU2051 3HD1 LEU2051 -3.894 2.362 2.768 318 HD21 LEU2051 3HD2 LEU2051 -2.456 4.540 2.466 319 HD22 LEU2051 1HD2 LEU2051 -0.723 4.460 2.867 320 HD23 LEU2051 2HD2 LEU2051 -1.325 3.706 1.372 321 H GLU2052 H GLU2052 -0.414 3.706 7.216 322 HA GLU2052 HA GLU2052 1.909 2.797 7.999 323 HB2 GLU2052 1HB GLU2052 -0.136 4.489 9.155 324 HB3 GLU2052 2HB GLU2052 0.710 3.620 10.448 325 HG2 GLU2052 1HG GLU2052 2.888 4.369 9.445 326 HG3 GLU2052 2HG GLU2052 1.987 5.319 8.253 327 HE2 GLU2052 HE GLU2052 1.392 7.877 10.447 328 HA PRO2053 HA PRO2053 0.037 -0.204 11.155 329 HB2 PRO2053 1HB PRO2053 -2.662 -0.609 11.231 330 HB3 PRO2053 2HB PRO2053 -1.825 0.515 12.299 331 HG2 PRO2053 1HG PRO2053 -3.465 1.038 9.903 332 HG3 PRO2053 2HG PRO2053 -3.031 2.169 11.235 333 HD2 PRO2053 1HD PRO2053 -1.963 2.051 8.579 334 HD3 PRO2053 2HD PRO2053 -1.391 3.076 9.904 335 H LEU2054 H LEU2054 -2.102 -0.254 8.346 336 HA LEU2054 HA LEU2054 -2.319 -2.959 8.085 337 HB2 LEU2054 1HB LEU2054 -2.368 -0.649 6.217 338 HB3 LEU2054 2HB LEU2054 -2.345 -2.284 5.531 339 HG LEU2054 HG LEU2054 -4.409 -1.150 7.439 340 HD11 LEU2054 1HD1 LEU2054 -5.383 -0.317 5.631 341 HD12 LEU2054 2HD1 LEU2054 -4.152 -1.044 4.571 342 HD13 LEU2054 3HD1 LEU2054 -5.597 -1.978 5.027 343 HD21 LEU2054 3HD2 LEU2054 -5.036 -3.221 7.919 344 HD22 LEU2054 1HD2 LEU2054 -5.269 -3.566 6.189 345 HD23 LEU2054 2HD2 LEU2054 -3.686 -3.858 6.950 346 H HIS2055 H HIS2055 0.214 -0.843 6.565 347 HA HIS2055 HA HIS2055 1.655 -2.959 5.493 348 HB2 HIS2055 1HB HIS2055 2.398 -0.138 6.256 349 HB3 HIS2055 2HB HIS2055 3.546 -1.240 5.487 350 HD1 HIS2055 1HD HIS2055 2.345 1.471 4.232 351 HD2 HIS2055 2HD HIS2055 1.145 -2.449 3.339 352 HE1 HIS2055 1HE HIS2055 1.278 1.559 1.915 353 HE2 HIS2055 2HE HIS2055 0.555 -0.878 1.411 354 H ALA2056 H ALA2056 2.098 -1.120 8.590 355 HA ALA2056 HA ALA2056 4.325 -2.424 9.507 356 HB1 ALA2056 3HB ALA2056 1.917 -1.190 10.870 357 HB2 ALA2056 1HB ALA2056 3.268 -1.875 11.806 358 HB3 ALA2056 2HB ALA2056 3.558 -0.523 10.685 359 H MET2057 H MET2057 0.840 -3.350 9.883 360 HA MET2057 HA MET2057 1.187 -5.518 11.472 361 HB2 MET2057 1HB MET2057 -1.061 -5.565 11.097 362 HB3 MET2057 2HB MET2057 -0.852 -4.371 9.806 363 HG2 MET2057 1HG MET2057 -0.458 -6.189 8.177 364 HG3 MET2057 2HG MET2057 -0.578 -7.397 9.460 365 HE1 MET2057 3HE MET2057 -2.746 -6.180 6.554 366 HE2 MET2057 1HE MET2057 -1.974 -7.709 7.035 367 HE3 MET2057 2HE MET2057 -3.747 -7.552 7.086 368 H MET2058 H MET2058 1.636 -5.240 7.917 369 HA MET2058 HA MET2058 1.885 -7.985 7.475 370 HB2 MET2058 1HB MET2058 2.956 -5.541 5.978 371 HB3 MET2058 2HB MET2058 2.974 -7.179 5.306 372 HG2 MET2058 1HG MET2058 0.328 -6.397 6.344 373 HG3 MET2058 2HG MET2058 0.895 -5.312 5.073 374 HE1 MET2058 3HE MET2058 -1.513 -7.003 5.234 375 HE2 MET2058 1HE MET2058 -1.674 -8.086 3.832 376 HE3 MET2058 2HE MET2058 -1.134 -8.733 5.400 377 H GLU2059 H GLU2059 4.166 -5.432 8.480 378 HA GLU2059 HA GLU2059 6.456 -7.008 7.975 379 HB2 GLU2059 1HB GLU2059 6.308 -4.668 9.893 380 HB3 GLU2059 2HB GLU2059 7.691 -5.196 8.918 381 HG2 GLU2059 1HG GLU2059 5.143 -3.818 8.012 382 HG3 GLU2059 2HG GLU2059 6.810 -3.261 7.809 383 HE2 GLU2059 HE GLU2059 7.310 -5.103 4.946 384 H ARG2060 H ARG2060 4.972 -5.812 11.082 385 HA ARG2060 HA ARG2060 6.473 -7.619 12.596 386 HB2 ARG2060 1HB ARG2060 5.031 -6.877 14.475 387 HB3 ARG2060 2HB ARG2060 5.574 -5.490 13.517 388 HG2 ARG2060 1HG ARG2060 3.404 -5.508 12.301 389 HG3 ARG2060 2HG ARG2060 2.860 -6.874 13.292 390 HD2 ARG2060 1HD ARG2060 3.259 -5.397 15.335 391 HD3 ARG2060 2HD ARG2060 3.520 -4.043 14.226 392 HE ARG2060 HE ARG2060 1.210 -3.990 13.796 393 HH11 ARG2060 2HH2 ARG2060 2.015 -7.012 15.462 394 HH12 ARG2060 1HH2 ARG2060 0.361 -7.458 15.714 395 H GLY2061 H GLY2061 3.579 -7.902 10.697 396 HA2 GLY2061 2HA GLY2061 2.848 -10.408 12.090 397 HA3 GLY2061 3HA GLY2061 1.711 -9.355 11.273 398 HA PRO2062 HA PRO2062 4.327 -11.523 7.947 399 HB2 PRO2062 1HB PRO2062 5.996 -13.550 8.698 400 HB3 PRO2062 2HB PRO2062 6.546 -11.897 8.434 401 HG2 PRO2062 1HG PRO2062 6.059 -13.354 10.953 402 HG3 PRO2062 2HG PRO2062 7.056 -11.878 10.682 403 HD2 PRO2062 1HD PRO2062 4.458 -12.079 11.870 404 HD3 PRO2062 2HD PRO2062 5.327 -10.589 11.482 405 H GLN2063 H GLN2063 4.800 -14.205 7.337 406 HA GLN2063 HA GLN2063 2.518 -15.568 8.422 407 HB2 GLN2063 1HB GLN2063 2.203 -14.114 6.062 408 HB3 GLN2063 2HB GLN2063 2.476 -15.769 5.490 409 HG2 GLN2063 1HG GLN2063 0.477 -16.500 6.305 410 HG3 GLN2063 2HG GLN2063 0.622 -15.564 7.799 411 HE21 GLN2063 1HE2 GLN2063 -1.134 -15.972 5.086 412 HE22 GLN2063 2HE2 GLN2063 -1.834 -14.401 4.878 413 H THR2064 H THR2064 4.423 -15.955 5.357 414 HA THR2064 HA THR2064 6.071 -17.996 6.536 415 HB THR2064 HB THR2064 5.154 -19.674 4.735 416 HG1 THR2064 1HG THR2064 2.930 -17.815 5.186 417 HG21 THR2064 3HG2 THR2064 2.976 -19.080 6.733 418 HG22 THR2064 1HG2 THR2064 3.720 -20.641 6.308 419 HG23 THR2064 2HG2 THR2064 4.578 -19.507 7.379 420 H LEU2065 H LEU2065 6.922 -19.246 4.170 421 HA LEU2065 HA LEU2065 8.677 -17.270 3.220 422 HB2 LEU2065 1HB LEU2065 8.614 -19.978 3.300 423 HB3 LEU2065 2HB LEU2065 8.302 -19.686 1.580 424 HG LEU2065 HG LEU2065 10.712 -20.064 2.271 425 HD11 LEU2065 1HD1 LEU2065 10.290 -17.403 0.909 426 HD12 LEU2065 2HD1 LEU2065 11.563 -18.613 0.623 427 HD13 LEU2065 3HD1 LEU2065 9.885 -18.954 0.137 428 HD21 LEU2065 3HD2 LEU2065 10.827 -17.202 3.134 429 HD22 LEU2065 1HD2 LEU2065 10.321 -18.437 4.312 430 HD23 LEU2065 2HD2 LEU2065 11.909 -18.563 3.517 431 H LYS2066 H LYS2066 5.456 -18.328 2.259 432 HA LYS2066 HA LYS2066 5.565 -17.417 -0.399 433 HB2 LYS2066 1HB LYS2066 3.855 -18.921 1.009 434 HB3 LYS2066 2HB LYS2066 2.980 -17.380 1.070 435 HG2 LYS2066 1HG LYS2066 4.027 -17.842 -1.598 436 HG3 LYS2066 2HG LYS2066 3.080 -19.246 -1.078 437 HD2 LYS2066 1HD LYS2066 1.693 -16.839 -0.306 438 HD3 LYS2066 2HD LYS2066 2.133 -16.705 -2.018 439 HE2 LYS2066 1HE LYS2066 1.164 -19.062 -2.300 440 HE3 LYS2066 2HE LYS2066 0.507 -18.902 -0.665 441 HZ1 LYS2066 2HZ LYS2066 -0.991 -18.194 -2.575 442 HZ3 LYS2066 1HZ LYS2066 -0.035 -16.889 -2.770 443 H GLU2067 H GLU2067 4.073 -15.914 2.558 444 HA GLU2067 HA GLU2067 3.513 -13.521 1.332 445 HB2 GLU2067 1HB GLU2067 2.942 -12.751 3.455 446 HB3 GLU2067 2HB GLU2067 2.832 -14.505 3.678 447 HG2 GLU2067 1HG GLU2067 4.093 -13.874 5.535 448 HG3 GLU2067 2HG GLU2067 5.375 -14.280 4.385 449 HE2 GLU2067 HE GLU2067 6.187 -11.060 5.786 450 H THR2068 H THR2068 6.536 -14.809 2.666 451 HA THR2068 HA THR2068 7.941 -12.456 3.080 452 HB THR2068 HB THR2068 8.557 -15.344 2.457 453 HG1 THR2068 1HG THR2068 8.432 -14.871 4.645 454 HG21 THR2068 3HG2 THR2068 10.943 -14.960 2.427 455 HG22 THR2068 1HG2 THR2068 10.276 -13.882 1.179 456 HG23 THR2068 2HG2 THR2068 10.735 -13.226 2.769 457 H SER2069 H SER2069 7.232 -14.218 0.041 458 HA SER2069 HA SER2069 8.990 -12.592 -1.454 459 HB2 SER2069 1HB SER2069 6.658 -14.313 -2.384 460 HB3 SER2069 2HB SER2069 7.959 -13.692 -3.413 461 HG SER2069 HG SER2069 9.418 -14.923 -1.855 462 H PHE2070 H PHE2070 5.580 -12.474 -0.444 463 HA PHE2070 HA PHE2070 4.745 -10.570 -2.347 464 HB2 PHE2070 1HB PHE2070 3.265 -12.080 -1.001 465 HB3 PHE2070 2HB PHE2070 3.821 -11.319 0.493 466 HD1 PHE2070 1HD PHE2070 1.744 -10.911 -2.506 467 HD2 PHE2070 2HD PHE2070 2.951 -9.181 1.176 468 HE1 PHE2070 1HE PHE2070 -0.138 -9.258 -2.667 469 HE2 PHE2070 2HE PHE2070 1.068 -7.527 1.015 470 HZ PHE2070 HZ PHE2070 -0.454 -7.585 -0.905 471 H ASN2071 H ASN2071 5.717 -10.303 1.147 472 HA ASN2071 HA ASN2071 5.412 -7.557 1.244 473 HB2 ASN2071 1HB ASN2071 5.567 -8.756 3.314 474 HB3 ASN2071 2HB ASN2071 7.082 -9.542 2.848 475 HD21 ASN2071 1HD2 ASN2071 8.514 -8.874 4.276 476 HD22 ASN2071 2HD2 ASN2071 8.887 -7.231 4.676 477 H GLN2072 H GLN2072 7.994 -9.717 0.093 478 HA GLN2072 HA GLN2072 9.976 -7.673 0.084 479 HB2 GLN2072 1HB GLN2072 9.796 -10.554 -0.682 480 HB3 GLN2072 2HB GLN2072 11.056 -9.601 -1.486 481 HG2 GLN2072 1HG GLN2072 10.712 -9.399 1.506 482 HG3 GLN2072 2HG GLN2072 11.540 -10.812 0.833 483 HE21 GLN2072 1HE2 GLN2072 12.377 -8.417 2.461 484 HE22 GLN2072 2HE2 GLN2072 13.748 -7.750 1.640 485 H ALA2073 H ALA2073 8.031 -9.455 -2.411 486 HA ALA2073 HA ALA2073 8.979 -8.405 -4.690 487 HB1 ALA2073 3HB ALA2073 6.312 -9.294 -3.705 488 HB2 ALA2073 1HB ALA2073 6.314 -8.350 -5.213 489 HB3 ALA2073 2HB ALA2073 7.261 -9.853 -5.103 490 H TYR2074 H TYR2074 6.564 -6.823 -2.491 491 HA TYR2074 HA TYR2074 6.911 -4.355 -4.015 492 HB2 TYR2074 1HB TYR2074 5.108 -5.137 -1.650 493 HB3 TYR2074 2HB TYR2074 4.882 -3.723 -2.686 494 HD1 TYR2074 2HD TYR2074 5.091 -4.747 -5.383 495 HD2 TYR2074 1HD TYR2074 3.329 -6.584 -1.943 496 HE1 TYR2074 2HE TYR2074 3.568 -6.121 -6.885 497 HE2 TYR2074 1HE TYR2074 1.812 -7.950 -3.458 498 HH TYR2074 HH TYR2074 2.363 -8.281 -6.734 499 H GLY2075 H GLY2075 8.071 -5.960 -1.183 500 HA2 GLY2075 2HA GLY2075 8.313 -4.120 0.774 501 HA3 GLY2075 3HA GLY2075 9.576 -5.258 0.350 502 H ARG2076 H ARG2076 9.882 -4.062 -2.429 503 HA ARG2076 HA ARG2076 11.766 -2.103 -1.635 504 HB2 ARG2076 1HB ARG2076 12.343 -2.032 -4.041 505 HB3 ARG2076 2HB ARG2076 12.211 -3.711 -3.493 506 HG2 ARG2076 1HG ARG2076 9.793 -3.648 -4.335 507 HG3 ARG2076 2HG ARG2076 10.185 -2.102 -5.105 508 HD2 ARG2076 1HD ARG2076 11.847 -4.602 -5.575 509 HD3 ARG2076 2HD ARG2076 10.405 -4.259 -6.544 510 HE ARG2076 HE ARG2076 11.539 -2.437 -7.555 511 HH11 ARG2076 2HH2 ARG2076 13.496 -3.822 -4.948 512 HH12 ARG2076 1HH2 ARG2076 14.937 -2.977 -5.412 513 H ASP2077 H ASP2077 8.668 -2.195 -3.507 514 HA ASP2077 HA ASP2077 8.693 0.468 -4.246 515 HB2 ASP2077 1HB ASP2077 6.360 -1.410 -3.680 516 HB3 ASP2077 2HB ASP2077 6.201 0.140 -4.521 517 HD2 ASP2077 HD ASP2077 7.436 -3.098 -6.439 518 H LEU2078 H LEU2078 6.919 -1.274 -1.572 519 HA LEU2078 HA LEU2078 5.751 0.905 -0.390 520 HB2 LEU2078 1HB LEU2078 6.684 -1.756 0.600 521 HB3 LEU2078 2HB LEU2078 6.007 -0.574 1.734 522 HG LEU2078 HG LEU2078 3.943 -0.514 0.309 523 HD11 LEU2078 1HD1 LEU2078 3.749 -2.720 -1.121 524 HD12 LEU2078 2HD1 LEU2078 4.448 -1.234 -1.807 525 HD13 LEU2078 3HD1 LEU2078 5.516 -2.538 -1.237 526 HD21 LEU2078 3HD2 LEU2078 4.301 -3.360 1.137 527 HD22 LEU2078 1HD2 LEU2078 4.510 -2.092 2.369 528 HD23 LEU2078 2HD2 LEU2078 2.976 -2.221 1.472 529 H MET2079 H MET2079 9.065 -0.445 0.083 530 HA MET2079 HA MET2079 9.814 1.124 2.178 531 HB2 MET2079 1HB MET2079 11.155 -0.264 -0.119 532 HB3 MET2079 2HB MET2079 12.149 0.926 0.738 533 HG2 MET2079 1HG MET2079 10.610 -1.296 2.149 534 HG3 MET2079 2HG MET2079 12.282 -1.486 1.612 535 HE1 MET2079 3HE MET2079 14.283 0.925 3.781 536 HE2 MET2079 1HE MET2079 14.286 -0.448 2.648 537 HE3 MET2079 2HE MET2079 13.749 1.158 2.099 538 H GLU2080 H GLU2080 10.102 1.832 -1.372 539 HA GLU2080 HA GLU2080 11.233 4.363 -0.909 540 HB2 GLU2080 1HB GLU2080 11.618 3.133 -2.985 541 HB3 GLU2080 2HB GLU2080 9.891 3.182 -3.379 542 HG2 GLU2080 1HG GLU2080 9.938 5.491 -3.827 543 HG3 GLU2080 2HG GLU2080 11.413 5.755 -2.885 544 HE2 GLU2080 HE GLU2080 13.148 5.694 -5.828 545 H ALA2081 H ALA2081 7.914 3.179 -1.732 546 HA ALA2081 HA ALA2081 6.686 5.621 -2.052 547 HB1 ALA2081 3HB ALA2081 4.763 4.375 -2.090 548 HB2 ALA2081 1HB ALA2081 5.926 3.033 -2.195 549 HB3 ALA2081 2HB ALA2081 5.198 3.459 -0.627 550 H GLN2082 H GLN2082 7.373 3.735 0.952 551 HA GLN2082 HA GLN2082 5.992 5.448 2.640 552 HB2 GLN2082 1HB GLN2082 6.613 3.217 3.340 553 HB3 GLN2082 2HB GLN2082 8.339 3.573 3.152 554 HG2 GLN2082 1HG GLN2082 8.362 4.209 5.314 555 HG3 GLN2082 2HG GLN2082 7.335 5.585 4.881 556 HE21 GLN2082 1HE2 GLN2082 5.093 5.430 5.102 557 HE22 GLN2082 2HE2 GLN2082 4.337 4.274 6.149 558 H GLU2083 H GLU2083 9.340 5.465 1.357 559 HA GLU2083 HA GLU2083 10.351 7.374 3.079 560 HB2 GLU2083 1HB GLU2083 12.200 6.878 1.915 561 HB3 GLU2083 2HB GLU2083 11.222 5.927 0.786 562 HG2 GLU2083 1HG GLU2083 10.813 7.942 -0.574 563 HG3 GLU2083 2HG GLU2083 11.717 8.935 0.580 564 HE2 GLU2083 HE GLU2083 13.603 6.966 -2.245 565 H TRP2084 H TRP2084 8.423 7.630 0.073 566 HA TRP2084 HA TRP2084 8.791 10.452 -0.158 567 HB2 TRP2084 1HB TRP2084 6.882 8.514 -1.460 568 HB3 TRP2084 2HB TRP2084 6.958 10.235 -1.846 569 HD1 TRP2084 HD TRP2084 8.647 6.953 -2.654 570 HE1 TRP2084 1HE TRP2084 10.630 7.240 -4.374 571 HE3 TRP2084 3HE TRP2084 8.814 12.029 -2.414 572 HZ2 TRP2084 2HZ TRP2084 12.011 9.507 -5.418 573 HZ3 TRP2084 3HZ TRP2084 10.509 13.203 -3.817 574 HH2 TRP2084 HH TRP2084 12.073 12.025 -5.281 575 H CYS2085 H CYS2085 6.730 8.213 1.621 576 HA CYS2085 HA CYS2085 4.593 10.008 2.040 577 HB2 CYS2085 1HB CYS2085 4.001 7.795 2.327 578 HB3 CYS2085 2HB CYS2085 5.449 7.399 3.269 579 HG CYS2085 HG CYS2085 3.243 7.281 4.749 580 H ARG2086 H ARG2086 7.287 8.791 4.179 581 HA ARG2086 HA ARG2086 6.760 10.638 6.180 582 HB2 ARG2086 1HB ARG2086 8.852 9.894 7.158 583 HB3 ARG2086 2HB ARG2086 8.100 8.482 6.396 584 HG2 ARG2086 1HG ARG2086 9.598 9.510 4.322 585 HG3 ARG2086 2HG ARG2086 10.617 9.911 5.715 586 HD2 ARG2086 1HD ARG2086 10.299 7.458 6.444 587 HD3 ARG2086 2HD ARG2086 9.628 7.166 4.831 588 HE ARG2086 HE ARG2086 11.985 8.406 4.237 589 HH11 ARG2086 2HH2 ARG2086 11.260 5.720 6.429 590 HH12 ARG2086 1HH2 ARG2086 12.818 4.987 6.247 591 H LYS2087 H LYS2087 8.608 10.775 3.162 592 HA LYS2087 HA LYS2087 10.230 12.983 3.864 593 HB2 LYS2087 1HB LYS2087 10.972 11.563 2.135 594 HB3 LYS2087 2HB LYS2087 9.450 11.701 1.240 595 HG2 LYS2087 1HG LYS2087 10.854 14.263 1.820 596 HG3 LYS2087 2HG LYS2087 11.694 13.180 0.696 597 HD2 LYS2087 1HD LYS2087 9.064 13.081 -0.195 598 HD3 LYS2087 2HD LYS2087 9.223 14.769 0.323 599 HE2 LYS2087 1HE LYS2087 11.377 13.493 -1.372 600 HE3 LYS2087 2HE LYS2087 9.889 14.069 -2.143 601 HZ1 LYS2087 2HZ LYS2087 10.810 16.062 -0.399 602 HZ3 LYS2087 1HZ LYS2087 10.742 16.128 -2.025 603 H TYR2088 H TYR2088 6.970 12.568 2.435 604 HA TYR2088 HA TYR2088 6.697 15.336 1.798 605 HB2 TYR2088 1HB TYR2088 5.256 13.954 0.553 606 HB3 TYR2088 2HB TYR2088 5.157 12.747 1.838 607 HD1 TYR2088 2HD TYR2088 3.641 13.249 3.839 608 HD2 TYR2088 1HD TYR2088 3.523 15.506 0.205 609 HE1 TYR2088 2HE TYR2088 1.325 14.109 4.439 610 HE2 TYR2088 1HE TYR2088 1.207 16.357 0.818 611 HH TYR2088 HH TYR2088 -0.499 16.111 2.167 612 H MET2089 H MET2089 5.807 13.199 4.548 613 HA MET2089 HA MET2089 4.154 15.075 5.785 614 HB2 MET2089 1HB MET2089 5.748 12.654 6.743 615 HB3 MET2089 2HB MET2089 4.705 13.564 7.849 616 HG2 MET2089 1HG MET2089 2.933 13.184 5.851 617 HG3 MET2089 2HG MET2089 3.968 11.789 5.530 618 HE1 MET2089 3HE MET2089 1.091 12.539 6.367 619 HE2 MET2089 1HE MET2089 0.648 10.985 7.114 620 HE3 MET2089 2HE MET2089 0.695 12.465 8.100 621 H LYS2090 H LYS2090 7.676 14.489 5.822 622 HA LYS2090 HA LYS2090 8.028 16.381 7.992 623 HB2 LYS2090 1HB LYS2090 9.337 14.091 7.285 624 HB3 LYS2090 2HB LYS2090 10.412 15.331 6.617 625 HG2 LYS2090 1HG LYS2090 9.322 15.411 9.457 626 HG3 LYS2090 2HG LYS2090 10.862 14.636 9.046 627 HD2 LYS2090 1HD LYS2090 11.925 16.634 8.811 628 HD3 LYS2090 2HD LYS2090 10.562 17.379 7.957 629 HE2 LYS2090 1HE LYS2090 9.934 18.439 9.846 630 HE3 LYS2090 2HE LYS2090 9.809 16.900 10.715 631 HZ1 LYS2090 2HZ LYS2090 11.745 17.352 11.746 632 HZ3 LYS2090 1HZ LYS2090 11.698 18.859 11.130 633 H SER2091 H SER2091 8.421 16.079 4.450 634 HA SER2091 HA SER2091 9.629 18.690 4.365 635 HB2 SER2091 1HB SER2091 10.354 16.738 2.909 636 HB3 SER2091 2HB SER2091 8.826 16.912 2.026 637 HG SER2091 HG SER2091 11.036 18.752 2.214 638 H GLY2092 H GLY2092 6.951 17.125 2.453 639 HA2 GLY2092 2HA GLY2092 4.706 17.936 2.588 640 HA3 GLY2092 3HA GLY2092 5.320 19.543 2.924 641 H ASN2093 H ASN2093 4.497 17.200 0.451 642 HA ASN2093 HA ASN2093 4.507 19.225 -1.496 643 HB2 ASN2093 1HB ASN2093 6.975 17.943 -1.212 644 HB3 ASN2093 2HB ASN2093 6.219 17.035 -2.532 645 HD21 ASN2093 1HD2 ASN2093 8.513 18.669 -2.732 646 HD22 ASN2093 2HD2 ASN2093 8.177 19.994 -3.796 647 H VAL2094 H VAL2094 2.601 18.655 -2.552 648 HA VAL2094 HA VAL2094 1.364 16.203 -2.284 649 HB VAL2094 HB VAL2094 0.524 18.532 -3.047 650 HG11 VAL2094 1HG1 VAL2094 2.056 18.505 -5.086 651 HG12 VAL2094 2HG1 VAL2094 0.928 17.322 -5.792 652 HG13 VAL2094 3HG1 VAL2094 0.359 18.955 -5.373 653 HG21 VAL2094 3HG2 VAL2094 -0.475 15.860 -4.044 654 HG22 VAL2094 1HG2 VAL2094 -1.076 16.851 -2.693 655 HG23 VAL2094 2HG2 VAL2094 -1.361 17.370 -4.372 656 H LYS2095 H LYS2095 3.654 17.420 -4.775 657 HA LYS2095 HA LYS2095 3.374 15.412 -6.629 658 HB2 LYS2095 1HB LYS2095 4.662 17.484 -6.922 659 HB3 LYS2095 2HB LYS2095 5.915 16.865 -5.833 660 HG2 LYS2095 1HG LYS2095 5.854 14.786 -7.494 661 HG3 LYS2095 2HG LYS2095 5.176 15.974 -8.622 662 HD2 LYS2095 1HD LYS2095 7.370 16.396 -9.078 663 HD3 LYS2095 2HD LYS2095 7.294 17.391 -7.612 664 HE2 LYS2095 1HE LYS2095 8.658 15.979 -6.471 665 HE3 LYS2095 2HE LYS2095 7.800 14.539 -7.040 666 HZ1 LYS2095 2HZ LYS2095 10.165 15.799 -8.124 667 HZ3 LYS2095 1HZ LYS2095 9.083 15.369 -9.262 668 H ASP2096 H ASP2096 5.444 15.510 -3.661 669 HA ASP2096 HA ASP2096 6.558 13.003 -4.124 670 HB2 ASP2096 1HB ASP2096 6.070 14.379 -1.449 671 HB3 ASP2096 2HB ASP2096 7.287 13.135 -1.775 672 HD2 ASP2096 HD ASP2096 8.940 16.334 -1.737 673 H LEU2097 H LEU2097 3.584 14.204 -2.529 674 HA LEU2097 HA LEU2097 2.949 11.849 -1.132 675 HB2 LEU2097 1HB LEU2097 1.996 13.894 -0.472 676 HB3 LEU2097 2HB LEU2097 1.334 14.207 -2.086 677 HG LEU2097 HG LEU2097 -0.250 12.358 -1.795 678 HD11 LEU2097 1HD1 LEU2097 -0.019 10.761 -0.272 679 HD12 LEU2097 2HD1 LEU2097 1.524 11.506 0.208 680 HD13 LEU2097 3HD1 LEU2097 0.021 11.950 1.052 681 HD21 LEU2097 3HD2 LEU2097 -0.172 14.736 -0.056 682 HD22 LEU2097 1HD2 LEU2097 -1.439 14.153 -1.161 683 HD23 LEU2097 2HD2 LEU2097 -1.292 13.456 0.469 684 H THR2098 H THR2098 1.950 13.128 -4.374 685 HA THR2098 HA THR2098 0.302 10.959 -5.021 686 HB THR2098 HB THR2098 1.855 13.050 -6.620 687 HG1 THR2098 1HG THR2098 0.003 13.674 -5.279 688 HG21 THR2098 3HG2 THR2098 1.184 10.794 -7.887 689 HG22 THR2098 1HG2 THR2098 -0.465 11.450 -7.737 690 HG23 THR2098 2HG2 THR2098 0.784 12.371 -8.611 691 H GLN2099 H GLN2099 3.813 11.536 -5.649 692 HA GLN2099 HA GLN2099 4.253 9.345 -7.192 693 HB2 GLN2099 1HB GLN2099 5.798 11.277 -5.779 694 HB3 GLN2099 2HB GLN2099 6.491 9.691 -5.395 695 HG2 GLN2099 1HG GLN2099 7.261 9.390 -7.515 696 HG3 GLN2099 2HG GLN2099 5.791 10.044 -8.255 697 HE21 GLN2099 1HE2 GLN2099 5.541 12.305 -8.439 698 HE22 GLN2099 2HE2 GLN2099 6.901 13.375 -8.490 699 H ALA2100 H ALA2100 4.436 9.598 -3.574 700 HA ALA2100 HA ALA2100 5.179 6.999 -3.058 701 HB1 ALA2100 3HB ALA2100 3.227 8.577 -1.359 702 HB2 ALA2100 1HB ALA2100 4.506 7.457 -0.834 703 HB3 ALA2100 2HB ALA2100 4.936 9.048 -1.505 704 H TRP2101 H TRP2101 1.854 8.412 -3.392 705 HA TRP2101 HA TRP2101 0.475 6.049 -2.915 706 HB2 TRP2101 1HB TRP2101 -0.096 8.715 -3.674 707 HB3 TRP2101 2HB TRP2101 -0.919 7.657 -4.825 708 HD1 TRP2101 HD TRP2101 -1.694 9.318 -1.724 709 HE1 TRP2101 1HE TRP2101 -3.599 8.183 -0.291 710 HE3 TRP2101 3HE TRP2101 -1.573 4.846 -4.141 711 HZ2 TRP2101 2HZ TRP2101 -4.812 5.602 -0.329 712 HZ3 TRP2101 3HZ TRP2101 -3.152 3.073 -3.379 713 HH2 TRP2101 HH TRP2101 -4.732 3.394 -1.544 714 H ASP2102 H ASP2102 2.147 7.363 -5.786 715 HA ASP2102 HA ASP2102 1.006 5.765 -7.695 716 HB2 ASP2102 1HB ASP2102 2.936 7.684 -7.653 717 HB3 ASP2102 2HB ASP2102 3.958 6.255 -7.876 718 HD2 ASP2102 HD ASP2102 1.341 7.158 -10.786 719 H LEU2103 H LEU2103 3.979 5.293 -5.646 720 HA LEU2103 HA LEU2103 4.745 2.840 -6.671 721 HB2 LEU2103 1HB LEU2103 5.127 4.236 -4.052 722 HB3 LEU2103 2HB LEU2103 5.754 2.597 -4.300 723 HG LEU2103 HG LEU2103 6.919 3.602 -6.381 724 HD11 LEU2103 1HD1 LEU2103 5.698 5.717 -6.439 725 HD12 LEU2103 2HD1 LEU2103 6.355 6.152 -4.843 726 HD13 LEU2103 3HD1 LEU2103 7.445 5.988 -6.240 727 HD21 LEU2103 3HD2 LEU2103 7.865 2.926 -4.040 728 HD22 LEU2103 1HD2 LEU2103 8.864 3.866 -5.175 729 HD23 LEU2103 2HD2 LEU2103 8.045 4.683 -3.820 730 H TYR2104 H TYR2104 2.626 3.586 -3.820 731 HA TYR2104 HA TYR2104 2.074 0.952 -3.156 732 HB2 TYR2104 1HB TYR2104 0.561 3.619 -3.034 733 HB3 TYR2104 2HB TYR2104 -0.069 2.173 -2.238 734 HD1 TYR2104 1HD TYR2104 2.457 1.012 -1.143 735 HD2 TYR2104 2HD TYR2104 1.071 5.058 -1.260 736 HE1 TYR2104 1HE TYR2104 3.852 1.557 0.910 737 HE2 TYR2104 2HE TYR2104 2.472 5.590 0.794 738 HH TYR2104 HH TYR2104 4.931 3.734 1.825 739 H TYR2105 H TYR2105 0.097 3.255 -5.165 740 HA TYR2105 HA TYR2105 -1.947 1.573 -5.807 741 HB2 TYR2105 1HB TYR2105 -1.361 4.077 -6.371 742 HB3 TYR2105 2HB TYR2105 -0.464 3.436 -7.748 743 HD1 TYR2105 1HD TYR2105 -3.031 1.196 -7.495 744 HD2 TYR2105 2HD TYR2105 -2.405 5.310 -8.482 745 HE1 TYR2105 1HE TYR2105 -5.170 1.198 -8.867 746 HE2 TYR2105 2HE TYR2105 -4.547 5.300 -9.853 747 HH TYR2105 HH TYR2105 -6.056 3.984 -10.818 748 H HIS2106 H HIS2106 1.396 1.561 -7.029 749 HA HIS2106 HA HIS2106 0.842 -0.032 -9.288 750 HB2 HIS2106 1HB HIS2106 2.874 1.487 -8.702 751 HB3 HIS2106 2HB HIS2106 3.511 0.043 -7.904 752 HD1 HIS2106 1HD HIS2106 4.766 -1.553 -9.376 753 HD2 HIS2106 2HD HIS2106 2.270 1.004 -11.571 754 HE1 HIS2106 1HE HIS2106 5.248 -2.023 -11.838 755 HE2 HIS2106 2HE HIS2106 3.688 -0.417 -13.148 756 H VAL2107 H VAL2107 2.248 -0.773 -6.020 757 HA VAL2107 HA VAL2107 2.329 -3.545 -6.471 758 HB VAL2107 HB VAL2107 3.062 -3.692 -4.296 759 HG11 VAL2107 1HG1 VAL2107 3.790 -0.876 -4.187 760 HG12 VAL2107 2HG1 VAL2107 4.814 -2.310 -4.446 761 HG13 VAL2107 3HG1 VAL2107 3.989 -1.544 -5.826 762 HG21 VAL2107 3HG2 VAL2107 0.960 -2.824 -3.276 763 HG22 VAL2107 1HG2 VAL2107 2.432 -2.255 -2.454 764 HG23 VAL2107 2HG2 VAL2107 1.550 -1.167 -3.553 765 H PHE2108 H PHE2108 -0.066 -1.369 -4.846 766 HA PHE2108 HA PHE2108 -1.785 -3.418 -4.050 767 HB2 PHE2108 1HB PHE2108 -1.870 -0.438 -4.621 768 HB3 PHE2108 2HB PHE2108 -3.414 -1.257 -4.351 769 HD1 PHE2108 1HD PHE2108 -0.102 -0.579 -2.820 770 HD2 PHE2108 2HD PHE2108 -4.136 -1.725 -2.167 771 HE1 PHE2108 1HE PHE2108 0.239 -0.367 -0.342 772 HE2 PHE2108 2HE PHE2108 -3.795 -1.513 0.312 773 HZ PHE2108 HZ PHE2108 -1.610 -0.837 1.194 774 H ARG2109 H ARG2109 -1.295 -1.767 -7.155 775 HA ARG2109 HA ARG2109 -3.798 -2.529 -8.194 776 HB2 ARG2109 1HB ARG2109 -2.803 -0.654 -9.243 777 HB3 ARG2109 2HB ARG2109 -1.218 -1.437 -9.373 778 HG2 ARG2109 1HG ARG2109 -2.108 -2.981 -11.071 779 HG3 ARG2109 2HG ARG2109 -3.725 -2.273 -10.910 780 HD2 ARG2109 1HD ARG2109 -1.199 -0.880 -11.902 781 HD3 ARG2109 2HD ARG2109 -2.600 -1.331 -12.885 782 HE ARG2109 HE ARG2109 -3.652 0.281 -10.873 783 HH11 ARG2109 2HH2 ARG2109 -1.122 0.697 -13.321 784 HH12 ARG2109 1HH2 ARG2109 -1.354 2.409 -13.447 785 H ARG2110 H ARG2110 -0.540 -3.950 -7.997 786 HA ARG2110 HA ARG2110 -0.951 -5.846 -10.018 787 HB2 ARG2110 1HB ARG2110 1.009 -5.576 -7.716 788 HB3 ARG2110 2HB ARG2110 1.041 -7.004 -8.762 789 HG2 ARG2110 1HG ARG2110 1.087 -4.200 -9.909 790 HG3 ARG2110 2HG ARG2110 2.583 -4.978 -9.359 791 HD2 ARG2110 1HD ARG2110 0.850 -6.643 -11.119 792 HD3 ARG2110 2HD ARG2110 1.545 -5.215 -11.900 793 HE ARG2110 HE ARG2110 3.680 -6.361 -10.534 794 HH11 ARG2110 2HH2 ARG2110 1.383 -7.528 -12.966 795 HH12 ARG2110 1HH2 ARG2110 2.493 -8.672 -13.646 796 H ILE2111 H ILE2111 -1.041 -5.967 -6.385 797 HA ILE2111 HA ILE2111 -1.570 -8.592 -5.996 798 HB ILE2111 HB ILE2111 -2.908 -7.784 -3.998 799 HG12 ILE2111 1HG1 ILE2111 -2.038 -5.076 -5.033 800 HG13 ILE2111 2HG1 ILE2111 -3.707 -5.675 -5.007 801 HG21 ILE2111 1HG2 ILE2111 -0.310 -8.145 -4.312 802 HG22 ILE2111 2HG2 ILE2111 -0.267 -6.385 -4.051 803 HG23 ILE2111 3HG2 ILE2111 -0.980 -7.451 -2.816 804 HD11 ILE2111 3HD1 ILE2111 -3.618 -4.447 -3.017 805 HD12 ILE2111 1HD1 ILE2111 -3.192 -6.075 -2.432 806 HD13 ILE2111 2HD1 ILE2111 -1.914 -4.867 -2.714 807 H SER2112 H SER2112 -3.698 -6.104 -7.372 808 HA SER2112 HA SER2112 -5.952 -7.875 -7.217 809 HB2 SER2112 1HB SER2112 -5.758 -5.178 -7.130 810 HB3 SER2112 2HB SER2112 -6.074 -5.379 -8.864 811 HG SER2112 HG SER2112 -8.046 -5.137 -7.660 812 H LYS2113 H LYS2113 -3.778 -6.383 -9.696 813 HA LYS2113 HA LYS2113 -4.919 -7.185 -11.995 814 HB2 LYS2113 1HB LYS2113 -2.563 -6.073 -11.301 815 HB3 LYS2113 2HB LYS2113 -1.996 -7.665 -11.833 816 HG2 LYS2113 1HG LYS2113 -2.468 -7.218 -14.011 817 HG3 LYS2113 2HG LYS2113 -4.028 -6.474 -13.626 818 HD2 LYS2113 1HD LYS2113 -2.474 -4.526 -12.682 819 HD3 LYS2113 2HD LYS2113 -1.287 -5.223 -13.798 820 HE2 LYS2113 1HE LYS2113 -2.372 -3.609 -15.118 821 HE3 LYS2113 2HE LYS2113 -3.231 -5.094 -15.561 822 HZ1 LYS2113 2HZ LYS2113 -4.698 -3.161 -15.002 823 HZ3 LYS2113 1HZ LYS2113 -4.182 -3.226 -13.458 824 H GLN2114 H GLN2114 -5.238 -9.056 -13.171 825 HA GLN2114 HA GLN2114 -5.585 -11.385 -11.903 826 HB2 GLN2114 1HB GLN2114 -6.249 -10.705 -14.271 827 HB3 GLN2114 2HB GLN2114 -4.642 -11.237 -14.794 828 HG2 GLN2114 1HG GLN2114 -5.325 -13.437 -13.438 829 HG3 GLN2114 2HG GLN2114 -6.967 -12.858 -13.761 830 HE21 GLN2114 1HE2 GLN2114 -3.990 -14.081 -15.069 831 HE22 GLN2114 2HE2 GLN2114 -4.535 -14.415 -16.680 Start of MODEL 31 1 H MET2014 H MET2014 -13.631 -6.982 -16.854 2 HA MET2014 HA MET2014 -14.704 -6.617 -14.475 3 HB2 MET2014 1HB MET2014 -14.397 -9.057 -14.106 4 HB3 MET2014 2HB MET2014 -14.740 -8.746 -15.817 5 HG2 MET2014 1HG MET2014 -11.931 -8.559 -15.590 6 HG3 MET2014 2HG MET2014 -12.364 -9.935 -14.571 7 HE1 MET2014 3HE MET2014 -14.828 -11.655 -16.353 8 HE2 MET2014 1HE MET2014 -13.354 -12.628 -16.581 9 HE3 MET2014 2HE MET2014 -13.599 -11.722 -15.068 10 H GLU2015 H GLU2015 -14.092 -7.226 -12.210 11 HA GLU2015 HA GLU2015 -11.303 -6.510 -11.764 12 HB2 GLU2015 1HB GLU2015 -12.041 -5.730 -9.533 13 HB3 GLU2015 2HB GLU2015 -12.903 -4.891 -10.834 14 HG2 GLU2015 1HG GLU2015 -14.887 -5.638 -10.065 15 HG3 GLU2015 2HG GLU2015 -14.328 -7.319 -10.079 16 HE2 GLU2015 HE GLU2015 -13.869 -5.152 -6.718 17 H LEU2016 H LEU2016 -13.659 -9.032 -11.561 18 HA LEU2016 HA LEU2016 -13.613 -11.085 -10.754 19 HB2 LEU2016 1HB LEU2016 -10.871 -10.429 -11.322 20 HB3 LEU2016 2HB LEU2016 -10.969 -11.572 -9.973 21 HG LEU2016 HG LEU2016 -12.730 -12.401 -12.097 22 HD11 LEU2016 1HD1 LEU2016 -11.508 -12.392 -13.991 23 HD12 LEU2016 2HD1 LEU2016 -10.729 -10.983 -13.231 24 HD13 LEU2016 3HD1 LEU2016 -9.963 -12.586 -13.128 25 HD21 LEU2016 3HD2 LEU2016 -11.759 -13.782 -10.252 26 HD22 LEU2016 1HD2 LEU2016 -11.577 -14.485 -11.878 27 HD23 LEU2016 2HD2 LEU2016 -10.189 -13.699 -11.088 28 H ILE2017 H ILE2017 -13.934 -12.186 -8.783 29 HA ILE2017 HA ILE2017 -14.284 -10.555 -6.557 30 HB ILE2017 HB ILE2017 -15.364 -12.792 -7.233 31 HG12 ILE2017 1HG1 ILE2017 -14.725 -12.670 -4.312 32 HG13 ILE2017 2HG1 ILE2017 -15.591 -11.320 -5.067 33 HG21 ILE2017 1HG2 ILE2017 -12.819 -13.769 -6.859 34 HG22 ILE2017 2HG2 ILE2017 -13.639 -14.219 -5.346 35 HG23 ILE2017 3HG2 ILE2017 -14.313 -14.735 -6.909 36 HD11 ILE2017 3HD1 ILE2017 -17.295 -12.933 -5.926 37 HD12 ILE2017 1HD1 ILE2017 -16.421 -14.259 -5.119 38 HD13 ILE2017 2HD1 ILE2017 -17.179 -12.971 -4.150 39 H ARG2018 H ARG2018 -13.271 -11.382 -4.295 40 HA ARG2018 HA ARG2018 -10.464 -11.891 -4.648 41 HB2 ARG2018 1HB ARG2018 -10.725 -9.394 -4.685 42 HB3 ARG2018 2HB ARG2018 -11.473 -9.466 -3.078 43 HG2 ARG2018 1HG ARG2018 -9.299 -9.069 -2.437 44 HG3 ARG2018 2HG ARG2018 -9.207 -10.836 -2.538 45 HD2 ARG2018 1HD ARG2018 -8.666 -9.206 -5.015 46 HD3 ARG2018 2HD ARG2018 -7.410 -9.278 -3.768 47 HE ARG2018 HE ARG2018 -8.172 -11.928 -4.138 48 HH11 ARG2018 2HH2 ARG2018 -6.981 -9.373 -6.284 49 HH12 ARG2018 1HH2 ARG2018 -6.220 -10.477 -7.381 50 H VAL2019 H VAL2019 -9.763 -13.290 -3.038 51 HA VAL2019 HA VAL2019 -11.387 -14.588 -1.353 52 HB VAL2019 HB VAL2019 -9.197 -15.357 -1.715 53 HG11 VAL2019 1HG1 VAL2019 -8.035 -13.302 -2.188 54 HG12 VAL2019 2HG1 VAL2019 -8.232 -12.745 -0.510 55 HG13 VAL2019 3HG1 VAL2019 -7.177 -14.133 -0.869 56 HG21 VAL2019 3HG2 VAL2019 -8.247 -15.508 0.664 57 HG22 VAL2019 1HG2 VAL2019 -9.634 -14.508 1.154 58 HG23 VAL2019 2HG2 VAL2019 -9.907 -16.101 0.408 59 HA PRO2020 HA PRO2020 -12.558 -11.748 1.702 60 HB2 PRO2020 1HB PRO2020 -13.673 -13.473 3.503 61 HB3 PRO2020 2HB PRO2020 -14.529 -12.875 2.083 62 HG2 PRO2020 1HG PRO2020 -13.280 -15.502 2.579 63 HG3 PRO2020 2HG PRO2020 -14.539 -15.069 1.367 64 HD2 PRO2020 1HD PRO2020 -11.747 -15.553 0.942 65 HD3 PRO2020 2HD PRO2020 -12.913 -14.974 -0.257 66 H ILE2021 H ILE2021 -10.778 -14.591 2.716 67 HA ILE2021 HA ILE2021 -9.569 -12.891 4.786 68 HB ILE2021 HB ILE2021 -9.082 -14.963 5.986 69 HG12 ILE2021 1HG1 ILE2021 -10.807 -16.843 4.883 70 HG13 ILE2021 2HG1 ILE2021 -9.939 -16.184 3.486 71 HG21 ILE2021 1HG2 ILE2021 -12.021 -15.101 5.467 72 HG22 ILE2021 2HG2 ILE2021 -11.124 -15.069 7.004 73 HG23 ILE2021 3HG2 ILE2021 -11.332 -13.571 6.065 74 HD11 ILE2021 3HD1 ILE2021 -8.330 -17.695 4.088 75 HD12 ILE2021 1HD1 ILE2021 -7.893 -16.475 5.308 76 HD13 ILE2021 2HD1 ILE2021 -8.951 -17.836 5.751 77 H LEU2022 H LEU2022 -7.884 -11.967 3.625 78 HA LEU2022 HA LEU2022 -5.628 -13.593 3.223 79 HB2 LEU2022 1HB LEU2022 -7.356 -13.822 1.144 80 HB3 LEU2022 2HB LEU2022 -6.335 -12.482 0.596 81 HG LEU2022 HG LEU2022 -4.510 -14.361 1.505 82 HD11 LEU2022 1HD1 LEU2022 -5.087 -16.501 0.784 83 HD12 LEU2022 2HD1 LEU2022 -6.551 -15.926 1.618 84 HD13 LEU2022 3HD1 LEU2022 -6.478 -15.917 -0.161 85 HD21 LEU2022 3HD2 LEU2022 -4.734 -14.812 -1.238 86 HD22 LEU2022 1HD2 LEU2022 -5.341 -13.155 -1.001 87 HD23 LEU2022 2HD2 LEU2022 -3.716 -13.600 -0.426 88 H TRP2023 H TRP2023 -3.970 -12.091 1.753 89 HA TRP2023 HA TRP2023 -3.801 -9.699 3.311 90 HB2 TRP2023 1HB TRP2023 -2.094 -11.259 1.515 91 HB3 TRP2023 2HB TRP2023 -1.860 -9.515 1.379 92 HD1 TRP2023 HD TRP2023 -2.780 -10.786 4.851 93 HE1 TRP2023 1HE TRP2023 -0.737 -10.664 6.517 94 HE3 TRP2023 3HE TRP2023 0.715 -9.711 1.317 95 HZ2 TRP2023 2HZ TRP2023 2.047 -10.143 6.179 96 HZ3 TRP2023 3HZ TRP2023 3.072 -9.412 2.068 97 HH2 TRP2023 HH TRP2023 3.761 -9.612 4.406 98 H HIS2024 H HIS2024 -4.284 -10.560 -0.186 99 HA HIS2024 HA HIS2024 -4.436 -8.061 -1.227 100 HB2 HIS2024 1HB HIS2024 -6.356 -10.202 -2.090 101 HB3 HIS2024 2HB HIS2024 -5.489 -9.022 -3.078 102 HD1 HIS2024 1HD HIS2024 -5.535 -12.370 -3.073 103 HD2 HIS2024 2HD HIS2024 -2.412 -9.750 -2.080 104 HE1 HIS2024 1HE HIS2024 -3.372 -13.689 -3.378 105 HE2 HIS2024 2HE HIS2024 -1.478 -12.030 -2.751 106 H GLU2025 H GLU2025 -6.607 -9.597 1.044 107 HA GLU2025 HA GLU2025 -8.855 -8.021 0.395 108 HB2 GLU2025 1HB GLU2025 -9.029 -10.204 1.530 109 HB3 GLU2025 2HB GLU2025 -8.178 -9.558 2.944 110 HG2 GLU2025 1HG GLU2025 -10.578 -9.540 3.367 111 HG3 GLU2025 2HG GLU2025 -10.020 -7.866 3.214 112 HE2 GLU2025 HE GLU2025 -12.834 -7.756 1.143 113 H MET2026 H MET2026 -6.055 -7.729 2.602 114 HA MET2026 HA MET2026 -7.138 -5.569 4.045 115 HB2 MET2026 1HB MET2026 -5.049 -5.583 5.158 116 HB3 MET2026 2HB MET2026 -5.151 -7.253 4.576 117 HG2 MET2026 1HG MET2026 -3.006 -6.686 3.867 118 HG3 MET2026 2HG MET2026 -3.930 -6.229 2.433 119 HE1 MET2026 3HE MET2026 -0.921 -4.601 4.297 120 HE2 MET2026 1HE MET2026 -1.311 -5.466 2.790 121 HE3 MET2026 2HE MET2026 -1.091 -3.699 2.772 122 H TRP2027 H TRP2027 -5.249 -5.918 1.045 123 HA TRP2027 HA TRP2027 -4.443 -3.196 0.920 124 HB2 TRP2027 1HB TRP2027 -4.622 -5.329 -1.209 125 HB3 TRP2027 2HB TRP2027 -3.850 -3.755 -1.410 126 HD1 TRP2027 HD TRP2027 -3.311 -7.139 0.358 127 HE1 TRP2027 1HE TRP2027 -0.809 -7.415 1.151 128 HE3 TRP2027 3HE TRP2027 -1.886 -2.386 -0.747 129 HZ2 TRP2027 2HZ TRP2027 1.435 -5.654 1.226 130 HZ3 TRP2027 3HZ TRP2027 0.477 -1.744 -0.284 131 HH2 TRP2027 HH TRP2027 2.115 -3.289 0.669 132 H HIS2028 H HIS2028 -7.031 -5.204 -0.660 133 HA HIS2028 HA HIS2028 -8.169 -3.211 -2.151 134 HB2 HIS2028 1HB HIS2028 -9.107 -5.158 -2.730 135 HB3 HIS2028 2HB HIS2028 -8.957 -5.845 -1.109 136 HD1 HIS2028 1HD HIS2028 -11.346 -4.155 -3.414 137 HD2 HIS2028 2HD HIS2028 -11.178 -5.245 0.634 138 HE1 HIS2028 1HE HIS2028 -13.730 -3.975 -2.523 139 HE2 HIS2028 2HE HIS2028 -13.573 -4.658 -0.027 140 H GLU2029 H GLU2029 -9.222 -4.327 1.151 141 HA GLU2029 HA GLU2029 -10.991 -2.179 1.433 142 HB2 GLU2029 1HB GLU2029 -11.421 -3.035 3.585 143 HB3 GLU2029 2HB GLU2029 -10.961 -4.470 2.651 144 HG2 GLU2029 1HG GLU2029 -8.611 -4.192 3.520 145 HG3 GLU2029 2HG GLU2029 -9.181 -2.866 4.545 146 HE2 GLU2029 HE GLU2029 -9.762 -5.244 6.943 147 H GLY2030 H GLY2030 -7.540 -2.659 2.116 148 HA2 GLY2030 2HA GLY2030 -7.098 -0.638 3.980 149 HA3 GLY2030 3HA GLY2030 -5.936 -1.255 2.824 150 H LEU2031 H LEU2031 -6.382 -0.463 0.415 151 HA LEU2031 HA LEU2031 -6.083 2.313 0.441 152 HB2 LEU2031 1HB LEU2031 -6.159 0.133 -1.506 153 HB3 LEU2031 2HB LEU2031 -6.720 1.687 -2.149 154 HG LEU2031 HG LEU2031 -4.016 0.965 -1.017 155 HD11 LEU2031 1HD1 LEU2031 -4.600 2.376 -3.612 156 HD12 LEU2031 2HD1 LEU2031 -3.165 1.438 -3.133 157 HD13 LEU2031 3HD1 LEU2031 -4.698 0.604 -3.478 158 HD21 LEU2031 3HD2 LEU2031 -4.108 2.999 -0.010 159 HD22 LEU2031 1HD2 LEU2031 -3.625 3.531 -1.639 160 HD23 LEU2031 2HD2 LEU2031 -5.331 3.635 -1.137 161 H GLU2032 H GLU2032 -8.912 0.191 0.194 162 HA GLU2032 HA GLU2032 -10.670 1.885 -1.014 163 HB2 GLU2032 1HB GLU2032 -11.911 0.053 -0.662 164 HB3 GLU2032 2HB GLU2032 -10.773 -0.538 0.561 165 HG2 GLU2032 1HG GLU2032 -11.901 0.843 2.274 166 HG3 GLU2032 2HG GLU2032 -13.024 1.468 1.056 167 HE2 GLU2032 HE GLU2032 -13.948 -1.783 2.911 168 H GLU2033 H GLU2033 -9.840 1.610 2.505 169 HA GLU2033 HA GLU2033 -11.597 3.695 3.211 170 HB2 GLU2033 1HB GLU2033 -10.383 1.708 4.584 171 HB3 GLU2033 2HB GLU2033 -9.285 3.036 4.993 172 HG2 GLU2033 1HG GLU2033 -10.936 4.220 6.131 173 HG3 GLU2033 2HG GLU2033 -12.257 3.511 5.189 174 HE2 GLU2033 HE GLU2033 -11.419 2.012 8.656 175 H ALA2034 H ALA2034 -8.002 3.434 2.805 176 HA ALA2034 HA ALA2034 -7.364 6.026 3.507 177 HB1 ALA2034 3HB ALA2034 -5.426 5.538 1.793 178 HB2 ALA2034 1HB ALA2034 -5.562 4.565 3.275 179 HB3 ALA2034 2HB ALA2034 -6.153 3.916 1.727 180 H SER2035 H SER2035 -8.293 4.647 0.288 181 HA SER2035 HA SER2035 -7.951 6.960 -1.143 182 HB2 SER2035 1HB SER2035 -8.279 5.005 -2.394 183 HB3 SER2035 2HB SER2035 -9.718 4.527 -1.474 184 HG SER2035 HG SER2035 -9.986 6.982 -2.791 185 H ARG2036 H ARG2036 -10.870 5.680 0.585 186 HA ARG2036 HA ARG2036 -12.642 7.574 -0.191 187 HB2 ARG2036 1HB ARG2036 -12.644 5.456 1.567 188 HB3 ARG2036 2HB ARG2036 -12.808 6.815 2.693 189 HG2 ARG2036 1HG ARG2036 -14.920 7.294 1.987 190 HG3 ARG2036 2HG ARG2036 -14.540 6.990 0.283 191 HD2 ARG2036 1HD ARG2036 -14.372 4.469 1.557 192 HD3 ARG2036 2HD ARG2036 -15.812 5.233 2.247 193 HE ARG2036 HE ARG2036 -16.044 5.710 -0.476 194 HH11 ARG2036 2HH2 ARG2036 -15.605 2.781 1.470 195 HH12 ARG2036 1HH2 ARG2036 -16.433 1.759 0.343 196 H LEU2037 H LEU2037 -10.106 7.706 2.347 197 HA LEU2037 HA LEU2037 -11.001 10.153 3.464 198 HB2 LEU2037 1HB LEU2037 -8.315 8.791 3.599 199 HB3 LEU2037 2HB LEU2037 -8.865 10.117 4.638 200 HG LEU2037 HG LEU2037 -10.601 7.726 4.613 201 HD11 LEU2037 1HD1 LEU2037 -8.605 7.004 6.446 202 HD12 LEU2037 2HD1 LEU2037 -9.039 6.181 4.929 203 HD13 LEU2037 3HD1 LEU2037 -7.747 7.406 4.939 204 HD21 LEU2037 3HD2 LEU2037 -11.104 9.512 6.118 205 HD22 LEU2037 1HD2 LEU2037 -10.510 8.138 7.083 206 HD23 LEU2037 2HD2 LEU2037 -9.443 9.525 6.755 207 H TYR2038 H TYR2038 -8.778 9.192 0.832 208 HA TYR2038 HA TYR2038 -7.716 11.818 0.504 209 HB2 TYR2038 1HB TYR2038 -6.647 9.601 -0.139 210 HB3 TYR2038 2HB TYR2038 -7.939 9.336 -1.315 211 HD1 TYR2038 2HD TYR2038 -5.480 12.053 -0.460 212 HD2 TYR2038 1HD TYR2038 -7.366 9.732 -3.520 213 HE1 TYR2038 2HE TYR2038 -4.105 13.253 -2.229 214 HE2 TYR2038 1HE TYR2038 -5.985 10.940 -5.278 215 HH TYR2038 HH TYR2038 -3.951 13.670 -4.410 216 H PHE2039 H PHE2039 -10.032 9.777 -1.423 217 HA PHE2039 HA PHE2039 -10.673 11.949 -3.132 218 HB2 PHE2039 1HB PHE2039 -11.754 9.167 -2.478 219 HB3 PHE2039 2HB PHE2039 -12.608 10.191 -3.636 220 HD1 PHE2039 2HD PHE2039 -9.200 8.832 -2.951 221 HD2 PHE2039 1HD PHE2039 -12.036 10.035 -5.870 222 HE1 PHE2039 2HE PHE2039 -7.671 8.022 -4.769 223 HE2 PHE2039 1HE PHE2039 -10.506 9.226 -7.687 224 HZ PHE2039 HZ PHE2039 -8.342 8.229 -7.115 225 H GLY2040 H GLY2040 -12.321 10.302 -0.359 226 HA2 GLY2040 2HA GLY2040 -14.684 11.839 -0.472 227 HA3 GLY2040 3HA GLY2040 -14.093 10.904 0.887 228 H GLU2041 H GLU2041 -11.786 12.045 1.728 229 HA GLU2041 HA GLU2041 -12.577 14.815 2.188 230 HB2 GLU2041 1HB GLU2041 -12.340 12.807 4.063 231 HB3 GLU2041 2HB GLU2041 -10.755 13.591 4.176 232 HG2 GLU2041 1HG GLU2041 -11.666 15.615 4.884 233 HG3 GLU2041 2HG GLU2041 -13.225 15.323 4.097 234 HE2 GLU2041 HE GLU2041 -13.608 14.893 7.690 235 H ARG2042 H ARG2042 -10.000 15.310 3.654 236 HA ARG2042 HA ARG2042 -8.164 15.066 1.418 237 HB2 ARG2042 1HB ARG2042 -7.407 17.384 1.759 238 HB3 ARG2042 2HB ARG2042 -9.150 17.372 1.437 239 HG2 ARG2042 1HG ARG2042 -8.116 17.272 4.277 240 HG3 ARG2042 2HG ARG2042 -8.195 18.824 3.425 241 HD2 ARG2042 1HD ARG2042 -10.509 18.837 3.401 242 HD3 ARG2042 2HD ARG2042 -10.639 17.072 3.334 243 HE ARG2042 HE ARG2042 -9.505 17.863 5.851 244 HH11 ARG2042 2HH2 ARG2042 -12.596 17.897 4.120 245 HH12 ARG2042 1HH2 ARG2042 -13.548 17.871 5.567 246 H ASN2043 H ASN2043 -8.807 14.104 4.451 247 HA ASN2043 HA ASN2043 -6.506 14.900 5.850 248 HB2 ASN2043 1HB ASN2043 -8.819 13.088 6.242 249 HB3 ASN2043 2HB ASN2043 -7.345 12.510 7.036 250 HD21 ASN2043 1HD2 ASN2043 -9.203 13.024 8.722 251 HD22 ASN2043 2HD2 ASN2043 -9.038 14.544 9.539 252 H VAL2044 H VAL2044 -4.724 14.368 4.360 253 HA VAL2044 HA VAL2044 -4.403 11.841 3.210 254 HB VAL2044 HB VAL2044 -2.600 14.164 3.824 255 HG11 VAL2044 1HG1 VAL2044 -1.808 11.404 3.004 256 HG12 VAL2044 2HG1 VAL2044 -1.019 12.767 2.177 257 HG13 VAL2044 3HG1 VAL2044 -0.918 12.623 3.949 258 HG21 VAL2044 3HG2 VAL2044 -2.781 14.680 1.576 259 HG22 VAL2044 1HG2 VAL2044 -3.144 13.004 1.106 260 HG23 VAL2044 2HG2 VAL2044 -4.389 13.992 1.906 261 H LYS2045 H LYS2045 -4.277 12.844 6.482 262 HA LYS2045 HA LYS2045 -2.206 11.099 7.344 263 HB2 LYS2045 1HB LYS2045 -3.354 11.563 9.607 264 HB3 LYS2045 2HB LYS2045 -2.563 12.906 8.760 265 HG2 LYS2045 1HG LYS2045 -5.420 12.451 8.060 266 HG3 LYS2045 2HG LYS2045 -5.136 12.976 9.728 267 HD2 LYS2045 1HD LYS2045 -3.623 14.441 7.618 268 HD3 LYS2045 2HD LYS2045 -5.377 14.685 7.603 269 HE2 LYS2045 1HE LYS2045 -5.375 15.567 9.813 270 HE3 LYS2045 2HE LYS2045 -3.764 14.926 10.171 271 HZ1 LYS2045 2HZ LYS2045 -3.856 16.757 7.934 272 HZ3 LYS2045 1HZ LYS2045 -2.810 16.713 9.180 273 H GLY2046 H GLY2046 -5.784 10.910 7.018 274 HA2 GLY2046 2HA GLY2046 -6.253 8.546 8.375 275 HA3 GLY2046 3HA GLY2046 -7.167 9.139 7.002 276 H MET2047 H MET2047 -5.627 8.967 4.810 277 HA MET2047 HA MET2047 -5.597 6.282 4.246 278 HB2 MET2047 1HB MET2047 -3.816 7.391 2.421 279 HB3 MET2047 2HB MET2047 -5.578 7.461 2.255 280 HG2 MET2047 1HG MET2047 -5.682 9.671 3.099 281 HG3 MET2047 2HG MET2047 -4.104 9.556 3.882 282 HE1 MET2047 3HE MET2047 -2.138 8.803 2.621 283 HE2 MET2047 1HE MET2047 -2.314 8.309 0.918 284 HE3 MET2047 2HE MET2047 -1.545 9.863 1.319 285 H PHE2048 H PHE2048 -2.843 8.506 5.043 286 HA PHE2048 HA PHE2048 -0.839 6.595 4.745 287 HB2 PHE2048 1HB PHE2048 -1.324 9.224 6.163 288 HB3 PHE2048 2HB PHE2048 0.123 8.330 6.642 289 HD1 PHE2048 1HD PHE2048 0.890 7.184 3.992 290 HD2 PHE2048 2HD PHE2048 -0.439 11.072 5.053 291 HE1 PHE2048 1HE PHE2048 2.113 8.141 2.021 292 HE2 PHE2048 2HE PHE2048 0.784 12.028 3.082 293 HZ PHE2048 HZ PHE2048 2.047 10.552 1.588 294 H GLU2049 H GLU2049 -3.027 7.384 7.468 295 HA GLU2049 HA GLU2049 -1.534 5.822 9.304 296 HB2 GLU2049 1HB GLU2049 -4.338 6.999 9.418 297 HB3 GLU2049 2HB GLU2049 -3.548 6.199 10.788 298 HG2 GLU2049 1HG GLU2049 -2.036 8.381 9.393 299 HG3 GLU2049 2HG GLU2049 -3.417 8.873 10.385 300 HE2 GLU2049 HE GLU2049 -0.083 7.496 12.075 301 H VAL2050 H VAL2050 -3.709 5.130 6.737 302 HA VAL2050 HA VAL2050 -4.804 2.756 7.966 303 HB VAL2050 HB VAL2050 -5.133 4.244 5.395 304 HG11 VAL2050 1HG1 VAL2050 -6.457 2.457 4.419 305 HG12 VAL2050 2HG1 VAL2050 -4.808 1.870 4.743 306 HG13 VAL2050 3HG1 VAL2050 -6.143 1.412 5.826 307 HG21 VAL2050 3HG2 VAL2050 -7.292 4.587 6.099 308 HG22 VAL2050 1HG2 VAL2050 -7.362 3.055 7.003 309 HG23 VAL2050 2HG2 VAL2050 -6.477 4.445 7.675 310 H LEU2051 H LEU2051 -2.376 3.701 5.475 311 HA LEU2051 HA LEU2051 -1.752 0.966 4.902 312 HB2 LEU2051 1HB LEU2051 0.091 3.140 4.134 313 HB3 LEU2051 2HB LEU2051 -0.519 1.769 3.192 314 HG LEU2051 HG LEU2051 -1.766 4.465 3.680 315 HD11 LEU2051 1HD1 LEU2051 -1.914 4.564 1.285 316 HD12 LEU2051 2HD1 LEU2051 -0.257 4.092 1.735 317 HD13 LEU2051 3HD1 LEU2051 -1.401 2.866 1.135 318 HD21 LEU2051 3HD2 LEU2051 -3.172 1.882 3.310 319 HD22 LEU2051 1HD2 LEU2051 -3.722 3.403 4.053 320 HD23 LEU2051 2HD2 LEU2051 -3.716 3.231 2.283 321 H GLU2052 H GLU2052 -0.326 3.677 6.805 322 HA GLU2052 HA GLU2052 2.056 2.776 7.448 323 HB2 GLU2052 1HB GLU2052 0.046 4.413 8.731 324 HB3 GLU2052 2HB GLU2052 0.945 3.515 9.964 325 HG2 GLU2052 1HG GLU2052 2.677 4.617 7.857 326 HG3 GLU2052 2HG GLU2052 1.766 5.876 8.699 327 HE2 GLU2052 HE GLU2052 3.857 5.732 11.380 328 HA PRO2053 HA PRO2053 0.302 -0.346 10.559 329 HB2 PRO2053 1HB PRO2053 -2.384 -0.842 10.620 330 HB3 PRO2053 2HB PRO2053 -1.585 0.282 11.720 331 HG2 PRO2053 1HG PRO2053 -3.239 0.811 9.334 332 HG3 PRO2053 2HG PRO2053 -2.844 1.922 10.696 333 HD2 PRO2053 1HD PRO2053 -1.770 1.908 8.041 334 HD3 PRO2053 2HD PRO2053 -1.233 2.917 9.392 335 H LEU2054 H LEU2054 -1.868 -0.411 7.771 336 HA LEU2054 HA LEU2054 -1.973 -3.112 7.438 337 HB2 LEU2054 1HB LEU2054 -2.127 -0.760 5.627 338 HB3 LEU2054 2HB LEU2054 -2.047 -2.375 4.901 339 HG LEU2054 HG LEU2054 -4.183 -2.818 5.402 340 HD11 LEU2054 1HD1 LEU2054 -5.240 -2.094 7.625 341 HD12 LEU2054 2HD1 LEU2054 -3.935 -3.303 7.677 342 HD13 LEU2054 3HD1 LEU2054 -3.596 -1.608 8.101 343 HD21 LEU2054 3HD2 LEU2054 -5.110 -0.250 6.299 344 HD22 LEU2054 1HD2 LEU2054 -3.874 -0.035 5.035 345 HD23 LEU2054 2HD2 LEU2054 -5.309 -1.038 4.715 346 H HIS2055 H HIS2055 0.473 -0.854 5.980 347 HA HIS2055 HA HIS2055 1.986 -2.902 4.849 348 HB2 HIS2055 1HB HIS2055 2.709 -0.084 5.671 349 HB3 HIS2055 2HB HIS2055 3.773 -1.140 4.735 350 HD1 HIS2055 1HD HIS2055 2.484 1.632 3.749 351 HD2 HIS2055 2HD HIS2055 1.156 -2.225 2.773 352 HE1 HIS2055 1HE HIS2055 1.197 1.853 1.556 353 HE2 HIS2055 2HE HIS2055 0.396 -0.550 1.000 354 H ALA2056 H ALA2056 2.285 -1.129 7.993 355 HA ALA2056 HA ALA2056 4.611 -2.315 8.870 356 HB1 ALA2056 3HB ALA2056 2.183 -1.096 10.165 357 HB2 ALA2056 1HB ALA2056 3.393 -1.906 11.188 358 HB3 ALA2056 2HB ALA2056 3.872 -0.532 10.162 359 H MET2057 H MET2057 1.174 -3.395 9.312 360 HA MET2057 HA MET2057 1.669 -5.584 10.837 361 HB2 MET2057 1HB MET2057 -0.586 -5.748 10.538 362 HB3 MET2057 2HB MET2057 -0.484 -4.472 9.314 363 HG2 MET2057 1HG MET2057 -0.083 -6.169 7.564 364 HG3 MET2057 2HG MET2057 -0.087 -7.455 8.773 365 HE1 MET2057 3HE MET2057 -1.573 -7.456 6.282 366 HE2 MET2057 1HE MET2057 -3.347 -7.445 6.439 367 HE3 MET2057 2HE MET2057 -2.472 -5.931 6.102 368 H MET2058 H MET2058 2.020 -5.184 7.290 369 HA MET2058 HA MET2058 2.316 -7.902 6.736 370 HB2 MET2058 1HB MET2058 3.399 -5.421 5.304 371 HB3 MET2058 2HB MET2058 3.285 -7.030 4.572 372 HG2 MET2058 1HG MET2058 0.732 -6.209 5.745 373 HG3 MET2058 2HG MET2058 1.300 -5.010 4.580 374 HE1 MET2058 3HE MET2058 -0.866 -8.310 4.647 375 HE2 MET2058 1HE MET2058 -1.191 -6.562 4.561 376 HE3 MET2058 2HE MET2058 -1.404 -7.580 3.117 377 H GLU2059 H GLU2059 4.634 -5.288 7.596 378 HA GLU2059 HA GLU2059 6.920 -6.788 7.051 379 HB2 GLU2059 1HB GLU2059 6.788 -4.621 9.156 380 HB3 GLU2059 2HB GLU2059 8.119 -5.001 8.050 381 HG2 GLU2059 1HG GLU2059 5.518 -3.561 7.507 382 HG3 GLU2059 2HG GLU2059 7.166 -3.058 7.099 383 HE2 GLU2059 HE GLU2059 5.251 -4.472 4.215 384 H ARG2060 H ARG2060 5.487 -5.859 10.272 385 HA ARG2060 HA ARG2060 7.079 -7.663 11.654 386 HB2 ARG2060 1HB ARG2060 5.481 -7.232 13.547 387 HB3 ARG2060 2HB ARG2060 6.036 -5.737 12.769 388 HG2 ARG2060 1HG ARG2060 3.892 -5.974 11.305 389 HG3 ARG2060 2HG ARG2060 3.338 -7.120 12.540 390 HD2 ARG2060 1HD ARG2060 4.377 -4.787 13.868 391 HD3 ARG2060 2HD ARG2060 3.268 -4.239 12.603 392 HE ARG2060 HE ARG2060 1.966 -6.368 13.891 393 HH11 ARG2060 2HH2 ARG2060 3.234 -3.201 14.850 394 HH12 ARG2060 1HH2 ARG2060 2.083 -2.990 16.128 395 H GLY2061 H GLY2061 3.778 -7.844 10.239 396 HA2 GLY2061 2HA GLY2061 3.667 -10.700 11.008 397 HA3 GLY2061 3HA GLY2061 2.270 -9.653 10.864 398 HA PRO2062 HA PRO2062 3.920 -10.575 6.496 399 HB2 PRO2062 1HB PRO2062 5.726 -12.602 6.202 400 HB3 PRO2062 2HB PRO2062 6.188 -10.902 6.276 401 HG2 PRO2062 1HG PRO2062 6.387 -13.012 8.329 402 HG3 PRO2062 2HG PRO2062 7.276 -11.451 8.234 403 HD2 PRO2062 1HD PRO2062 5.086 -12.152 9.941 404 HD3 PRO2062 2HD PRO2062 5.823 -10.554 9.773 405 H GLN2063 H GLN2063 4.752 -13.865 7.083 406 HA GLN2063 HA GLN2063 2.254 -14.891 7.471 407 HB2 GLN2063 1HB GLN2063 2.527 -13.869 4.821 408 HB3 GLN2063 2HB GLN2063 2.525 -15.636 4.692 409 HG2 GLN2063 1HG GLN2063 0.518 -14.614 6.588 410 HG3 GLN2063 2HG GLN2063 0.275 -13.993 4.950 411 HE21 GLN2063 1HE2 GLN2063 -1.389 -15.795 6.438 412 HE22 GLN2063 2HE2 GLN2063 -1.490 -17.288 5.567 413 H THR2064 H THR2064 4.440 -15.881 4.765 414 HA THR2064 HA THR2064 5.901 -17.687 6.466 415 HB THR2064 HB THR2064 3.761 -18.928 6.101 416 HG1 THR2064 1HG THR2064 5.930 -19.825 4.344 417 HG21 THR2064 3HG2 THR2064 4.384 -19.368 3.216 418 HG22 THR2064 1HG2 THR2064 2.802 -19.246 4.023 419 HG23 THR2064 2HG2 THR2064 3.696 -17.768 3.588 420 H LEU2065 H LEU2065 7.499 -19.002 5.114 421 HA LEU2065 HA LEU2065 9.090 -17.311 3.706 422 HB2 LEU2065 1HB LEU2065 9.221 -19.865 4.574 423 HB3 LEU2065 2HB LEU2065 9.154 -20.121 2.822 424 HG LEU2065 HG LEU2065 11.451 -20.007 3.870 425 HD11 LEU2065 1HD1 LEU2065 10.797 -19.553 1.411 426 HD12 LEU2065 2HD1 LEU2065 11.133 -17.848 1.798 427 HD13 LEU2065 3HD1 LEU2065 12.415 -19.070 1.973 428 HD21 LEU2065 3HD2 LEU2065 12.307 -18.140 4.837 429 HD22 LEU2065 1HD2 LEU2065 11.301 -17.035 3.867 430 HD23 LEU2065 2HD2 LEU2065 10.594 -17.893 5.257 431 H LYS2066 H LYS2066 6.173 -18.992 2.644 432 HA LYS2066 HA LYS2066 6.715 -18.677 -0.136 433 HB2 LYS2066 1HB LYS2066 5.241 -20.420 0.987 434 HB3 LYS2066 2HB LYS2066 4.017 -19.148 1.141 435 HG2 LYS2066 1HG LYS2066 4.944 -18.986 -1.525 436 HG3 LYS2066 2HG LYS2066 4.783 -20.722 -1.201 437 HD2 LYS2066 1HD LYS2066 2.460 -20.322 -0.390 438 HD3 LYS2066 2HD LYS2066 2.626 -18.600 -0.771 439 HE2 LYS2066 1HE LYS2066 2.806 -19.051 -3.123 440 HE3 LYS2066 2HE LYS2066 3.032 -20.786 -2.855 441 HZ1 LYS2066 2HZ LYS2066 0.766 -20.970 -2.170 442 HZ3 LYS2066 1HZ LYS2066 0.724 -20.080 -3.534 443 H GLU2067 H GLU2067 4.918 -16.864 2.399 444 HA GLU2067 HA GLU2067 4.030 -14.959 0.469 445 HB2 GLU2067 1HB GLU2067 2.883 -15.749 2.693 446 HB3 GLU2067 2HB GLU2067 3.915 -14.530 3.461 447 HG2 GLU2067 1HG GLU2067 2.117 -13.184 2.980 448 HG3 GLU2067 2HG GLU2067 2.940 -13.038 1.420 449 HE2 GLU2067 HE GLU2067 0.003 -14.083 0.001 450 H THR2068 H THR2068 6.853 -15.508 2.416 451 HA THR2068 HA THR2068 7.663 -12.902 2.970 452 HB THR2068 HB THR2068 9.122 -15.535 2.449 453 HG1 THR2068 1HG THR2068 7.680 -15.130 4.357 454 HG21 THR2068 3HG2 THR2068 11.087 -14.507 3.541 455 HG22 THR2068 1HG2 THR2068 10.698 -13.591 2.065 456 HG23 THR2068 2HG2 THR2068 10.234 -12.948 3.659 457 H SER2069 H SER2069 7.548 -14.681 -0.070 458 HA SER2069 HA SER2069 9.456 -13.112 -1.381 459 HB2 SER2069 1HB SER2069 8.653 -15.354 -2.137 460 HB3 SER2069 2HB SER2069 7.092 -14.634 -2.567 461 HG SER2069 HG SER2069 9.654 -14.349 -3.802 462 H PHE2070 H PHE2070 5.822 -13.054 -1.299 463 HA PHE2070 HA PHE2070 5.567 -10.810 -2.945 464 HB2 PHE2070 1HB PHE2070 3.741 -12.393 -2.435 465 HB3 PHE2070 2HB PHE2070 3.885 -12.075 -0.703 466 HD1 PHE2070 2HD PHE2070 3.405 -9.623 0.031 467 HD2 PHE2070 1HD PHE2070 2.160 -11.264 -3.680 468 HE1 PHE2070 2HE PHE2070 1.644 -7.843 -0.168 469 HE2 PHE2070 1HE PHE2070 0.401 -9.485 -3.877 470 HZ PHE2070 HZ PHE2070 0.164 -7.795 -2.118 471 H ASN2071 H ASN2071 5.419 -11.141 0.676 472 HA ASN2071 HA ASN2071 4.946 -8.565 1.285 473 HB2 ASN2071 1HB ASN2071 5.044 -10.244 3.024 474 HB3 ASN2071 2HB ASN2071 6.733 -10.626 2.665 475 HD21 ASN2071 1HD2 ASN2071 4.701 -7.785 3.394 476 HD22 ASN2071 2HD2 ASN2071 5.758 -7.052 4.554 477 H GLN2072 H GLN2072 7.992 -10.156 0.256 478 HA GLN2072 HA GLN2072 9.581 -7.878 0.865 479 HB2 GLN2072 1HB GLN2072 9.999 -10.602 -0.271 480 HB3 GLN2072 2HB GLN2072 11.183 -9.371 -0.749 481 HG2 GLN2072 1HG GLN2072 10.987 -8.893 1.943 482 HG3 GLN2072 2HG GLN2072 10.693 -10.639 1.906 483 HE21 GLN2072 1HE2 GLN2072 12.698 -10.744 3.090 484 HE22 GLN2072 2HE2 GLN2072 14.214 -10.741 2.253 485 H ALA2073 H ALA2073 8.503 -9.541 -2.186 486 HA ALA2073 HA ALA2073 9.576 -7.908 -4.040 487 HB1 ALA2073 3HB ALA2073 7.464 -9.825 -3.862 488 HB2 ALA2073 1HB ALA2073 6.850 -8.436 -4.789 489 HB3 ALA2073 2HB ALA2073 8.329 -9.272 -5.315 490 H TYR2074 H TYR2074 6.661 -7.288 -2.015 491 HA TYR2074 HA TYR2074 6.372 -4.671 -3.259 492 HB2 TYR2074 1HB TYR2074 4.886 -6.411 -1.214 493 HB3 TYR2074 2HB TYR2074 4.363 -4.757 -1.554 494 HD1 TYR2074 1HD TYR2074 5.379 -7.739 -3.612 495 HD2 TYR2074 2HD TYR2074 2.502 -4.652 -2.917 496 HE1 TYR2074 1HE TYR2074 3.988 -8.588 -5.564 497 HE2 TYR2074 2HE TYR2074 1.119 -5.511 -4.872 498 HH TYR2074 HH TYR2074 0.806 -7.634 -6.056 499 H GLY2075 H GLY2075 7.403 -6.249 -0.226 500 HA2 GLY2075 2HA GLY2075 7.292 -4.256 1.611 501 HA3 GLY2075 3HA GLY2075 8.601 -5.414 1.495 502 H ARG2076 H ARG2076 9.293 -4.385 -1.319 503 HA ARG2076 HA ARG2076 11.068 -2.381 -0.369 504 HB2 ARG2076 1HB ARG2076 11.672 -4.187 -2.043 505 HB3 ARG2076 2HB ARG2076 10.651 -3.363 -3.236 506 HG2 ARG2076 1HG ARG2076 12.312 -1.350 -2.162 507 HG3 ARG2076 2HG ARG2076 13.380 -2.748 -2.370 508 HD2 ARG2076 1HD ARG2076 11.542 -1.597 -4.518 509 HD3 ARG2076 2HD ARG2076 13.280 -1.279 -4.408 510 HE ARG2076 HE ARG2076 11.978 -3.783 -5.272 511 HH11 ARG2076 2HH2 ARG2076 14.996 -2.226 -4.258 512 HH12 ARG2076 1HH2 ARG2076 16.005 -3.444 -4.960 513 H ASP2077 H ASP2077 8.117 -2.614 -2.381 514 HA ASP2077 HA ASP2077 8.292 -0.080 -3.507 515 HB2 ASP2077 1HB ASP2077 6.030 -2.010 -2.931 516 HB3 ASP2077 2HB ASP2077 5.681 -0.418 -3.624 517 HD2 ASP2077 HD ASP2077 6.695 -3.346 -5.954 518 H LEU2078 H LEU2078 6.209 -1.371 -0.795 519 HA LEU2078 HA LEU2078 5.161 1.034 0.026 520 HB2 LEU2078 1HB LEU2078 5.853 -1.367 1.716 521 HB3 LEU2078 2HB LEU2078 4.692 -0.092 2.128 522 HG LEU2078 HG LEU2078 3.122 -1.406 1.264 523 HD11 LEU2078 1HD1 LEU2078 4.427 -1.176 -1.450 524 HD12 LEU2078 2HD1 LEU2078 2.695 -1.297 -1.051 525 HD13 LEU2078 3HD1 LEU2078 3.597 0.187 -0.662 526 HD21 LEU2078 3HD2 LEU2078 5.466 -3.049 0.395 527 HD22 LEU2078 1HD2 LEU2078 4.126 -3.452 1.494 528 HD23 LEU2078 2HD2 LEU2078 3.856 -3.424 -0.265 529 H MET2079 H MET2079 8.248 -0.580 0.986 530 HA MET2079 HA MET2079 8.976 1.113 2.980 531 HB2 MET2079 1HB MET2079 10.271 -0.726 1.058 532 HB3 MET2079 2HB MET2079 11.369 0.558 1.593 533 HG2 MET2079 1HG MET2079 10.242 -0.168 3.982 534 HG3 MET2079 2HG MET2079 10.181 -1.714 3.129 535 HE1 MET2079 3HE MET2079 13.664 0.869 4.340 536 HE2 MET2079 1HE MET2079 13.417 1.006 2.582 537 HE3 MET2079 2HE MET2079 12.083 1.378 3.701 538 H GLU2080 H GLU2080 9.631 1.458 -0.575 539 HA GLU2080 HA GLU2080 11.048 3.827 -0.318 540 HB2 GLU2080 1HB GLU2080 11.152 2.429 -2.317 541 HB3 GLU2080 2HB GLU2080 9.441 2.730 -2.667 542 HG2 GLU2080 1HG GLU2080 9.920 4.690 -3.679 543 HG3 GLU2080 2HG GLU2080 10.911 5.238 -2.318 544 HE2 GLU2080 HE GLU2080 12.595 3.690 -5.564 545 H ALA2081 H ALA2081 7.592 3.247 -1.309 546 HA ALA2081 HA ALA2081 6.858 5.897 -1.520 547 HB1 ALA2081 3HB ALA2081 5.666 3.463 -1.869 548 HB2 ALA2081 1HB ALA2081 4.845 4.025 -0.395 549 HB3 ALA2081 2HB ALA2081 4.789 5.013 -1.875 550 H GLN2082 H GLN2082 7.051 3.738 1.355 551 HA GLN2082 HA GLN2082 5.747 5.355 3.128 552 HB2 GLN2082 1HB GLN2082 6.346 3.104 3.717 553 HB3 GLN2082 2HB GLN2082 8.076 3.435 3.518 554 HG2 GLN2082 1HG GLN2082 8.181 4.009 5.692 555 HG3 GLN2082 2HG GLN2082 7.068 5.353 5.387 556 HE21 GLN2082 1HE2 GLN2082 5.017 5.250 6.065 557 HE22 GLN2082 2HE2 GLN2082 4.306 3.928 6.930 558 H GLU2083 H GLU2083 9.210 5.366 2.102 559 HA GLU2083 HA GLU2083 9.996 7.319 3.922 560 HB2 GLU2083 1HB GLU2083 11.984 6.701 3.099 561 HB3 GLU2083 2HB GLU2083 11.178 5.765 1.829 562 HG2 GLU2083 1HG GLU2083 11.103 7.734 0.379 563 HG3 GLU2083 2HG GLU2083 11.761 8.758 1.663 564 HE2 GLU2083 HE GLU2083 14.152 6.322 -0.421 565 H TRP2084 H TRP2084 8.469 7.442 0.705 566 HA TRP2084 HA TRP2084 9.020 10.155 0.183 567 HB2 TRP2084 1HB TRP2084 7.062 8.139 -0.856 568 HB3 TRP2084 2HB TRP2084 6.932 9.835 -1.330 569 HD1 TRP2084 HD TRP2084 8.974 6.707 -2.026 570 HE1 TRP2084 1HE TRP2084 10.757 7.091 -3.933 571 HE3 TRP2084 3HE TRP2084 8.435 11.758 -2.236 572 HZ2 TRP2084 2HZ TRP2084 11.720 9.412 -5.285 573 HZ3 TRP2084 3HZ TRP2084 9.834 13.009 -3.876 574 HH2 TRP2084 HH TRP2084 11.432 11.916 -5.369 575 H CYS2085 H CYS2085 6.532 8.359 2.027 576 HA CYS2085 HA CYS2085 4.742 10.488 2.311 577 HB2 CYS2085 1HB CYS2085 3.956 8.298 2.731 578 HB3 CYS2085 2HB CYS2085 5.209 7.979 3.942 579 HG CYS2085 HG CYS2085 3.165 10.546 4.177 580 H ARG2086 H ARG2086 7.383 9.165 4.439 581 HA ARG2086 HA ARG2086 7.103 10.931 6.481 582 HB2 ARG2086 1HB ARG2086 9.449 9.419 5.325 583 HB3 ARG2086 2HB ARG2086 9.735 10.544 6.663 584 HG2 ARG2086 1HG ARG2086 9.042 8.958 8.100 585 HG3 ARG2086 2HG ARG2086 7.434 8.987 7.353 586 HD2 ARG2086 1HD ARG2086 7.916 6.794 6.905 587 HD3 ARG2086 2HD ARG2086 8.797 7.470 5.525 588 HE ARG2086 HE ARG2086 10.820 6.924 6.587 589 HH11 ARG2086 2HH2 ARG2086 8.167 6.647 8.920 590 HH12 ARG2086 1HH2 ARG2086 9.149 5.903 10.136 591 H LYS2087 H LYS2087 8.856 11.268 3.354 592 HA LYS2087 HA LYS2087 10.124 13.700 4.013 593 HB2 LYS2087 1HB LYS2087 11.077 12.397 2.308 594 HB3 LYS2087 2HB LYS2087 9.549 12.260 1.420 595 HG2 LYS2087 1HG LYS2087 10.060 15.039 1.721 596 HG3 LYS2087 2HG LYS2087 11.604 14.312 1.247 597 HD2 LYS2087 1HD LYS2087 9.302 13.262 -0.266 598 HD3 LYS2087 2HD LYS2087 9.518 15.008 -0.474 599 HE2 LYS2087 1HE LYS2087 11.956 13.263 -0.639 600 HE3 LYS2087 2HE LYS2087 10.821 13.199 -1.997 601 HZ1 LYS2087 2HZ LYS2087 11.005 15.764 -1.866 602 HZ3 LYS2087 1HZ LYS2087 12.244 14.950 -2.540 603 H TYR2088 H TYR2088 6.908 12.797 2.792 604 HA TYR2088 HA TYR2088 6.253 15.477 2.010 605 HB2 TYR2088 1HB TYR2088 5.099 13.712 0.879 606 HB3 TYR2088 2HB TYR2088 4.965 12.734 2.344 607 HD1 TYR2088 1HD TYR2088 3.486 15.466 0.375 608 HD2 TYR2088 2HD TYR2088 3.133 13.097 3.922 609 HE1 TYR2088 1HE TYR2088 1.096 16.277 0.687 610 HE2 TYR2088 2HE TYR2088 0.744 13.917 4.221 611 HH TYR2088 HH TYR2088 -0.697 15.524 3.595 612 H MET2089 H MET2089 5.419 13.264 4.761 613 HA MET2089 HA MET2089 3.680 14.990 6.004 614 HB2 MET2089 1HB MET2089 5.604 12.881 7.106 615 HB3 MET2089 2HB MET2089 4.316 13.612 8.081 616 HG2 MET2089 1HG MET2089 3.973 11.969 5.531 617 HG3 MET2089 2HG MET2089 3.553 11.454 7.168 618 HE1 MET2089 3HE MET2089 1.730 11.448 8.037 619 HE2 MET2089 1HE MET2089 0.421 12.655 8.036 620 HE3 MET2089 2HE MET2089 0.435 11.357 6.818 621 H LYS2090 H LYS2090 7.249 14.836 6.033 622 HA LYS2090 HA LYS2090 7.390 16.807 8.149 623 HB2 LYS2090 1HB LYS2090 9.000 14.710 7.339 624 HB3 LYS2090 2HB LYS2090 9.886 16.141 6.785 625 HG2 LYS2090 1HG LYS2090 8.705 16.056 9.566 626 HG3 LYS2090 2HG LYS2090 10.244 15.240 9.244 627 HD2 LYS2090 1HD LYS2090 11.380 17.210 8.995 628 HD3 LYS2090 2HD LYS2090 10.027 18.023 8.191 629 HE2 LYS2090 1HE LYS2090 8.887 18.009 10.519 630 HE3 LYS2090 2HE LYS2090 10.481 17.597 11.171 631 HZ1 LYS2090 2HZ LYS2090 11.070 19.686 9.605 632 HZ3 LYS2090 1HZ LYS2090 10.690 19.851 11.180 633 H SER2091 H SER2091 8.436 16.499 4.682 634 HA SER2091 HA SER2091 9.023 19.248 4.541 635 HB2 SER2091 1HB SER2091 9.944 17.280 3.127 636 HB3 SER2091 2HB SER2091 8.473 17.459 2.151 637 HG SER2091 HG SER2091 10.608 19.354 2.578 638 H GLY2092 H GLY2092 6.545 17.262 2.745 639 HA2 GLY2092 2HA GLY2092 4.254 17.768 2.700 640 HA3 GLY2092 3HA GLY2092 4.599 19.425 3.150 641 H ASN2093 H ASN2093 4.619 17.042 0.495 642 HA ASN2093 HA ASN2093 4.415 19.258 -1.334 643 HB2 ASN2093 1HB ASN2093 6.836 17.783 -1.028 644 HB3 ASN2093 2HB ASN2093 6.109 17.193 -2.530 645 HD21 ASN2093 1HD2 ASN2093 8.249 18.280 -3.148 646 HD22 ASN2093 2HD2 ASN2093 8.162 19.931 -3.667 647 H VAL2094 H VAL2094 2.740 18.756 -2.770 648 HA VAL2094 HA VAL2094 1.356 16.344 -2.566 649 HB VAL2094 HB VAL2094 0.598 18.660 -3.339 650 HG11 VAL2094 1HG1 VAL2094 1.563 17.603 -6.017 651 HG12 VAL2094 2HG1 VAL2094 0.650 19.105 -5.733 652 HG13 VAL2094 3HG1 VAL2094 2.308 18.938 -5.106 653 HG21 VAL2094 3HG2 VAL2094 -0.451 16.626 -5.257 654 HG22 VAL2094 1HG2 VAL2094 -0.565 16.258 -3.520 655 HG23 VAL2094 2HG2 VAL2094 -1.319 17.734 -4.168 656 H LYS2095 H LYS2095 3.832 17.532 -4.902 657 HA LYS2095 HA LYS2095 3.665 15.494 -6.739 658 HB2 LYS2095 1HB LYS2095 5.088 17.710 -6.580 659 HB3 LYS2095 2HB LYS2095 6.345 16.601 -6.000 660 HG2 LYS2095 1HG LYS2095 5.083 15.372 -8.252 661 HG3 LYS2095 2HG LYS2095 5.418 17.052 -8.704 662 HD2 LYS2095 1HD LYS2095 7.441 16.084 -9.262 663 HD3 LYS2095 2HD LYS2095 7.788 16.498 -7.574 664 HE2 LYS2095 1HE LYS2095 6.962 14.153 -6.968 665 HE3 LYS2095 2HE LYS2095 6.949 13.789 -8.699 666 HZ1 LYS2095 2HZ LYS2095 9.408 14.957 -7.683 667 HZ3 LYS2095 1HZ LYS2095 9.213 13.735 -8.740 668 H ASP2096 H ASP2096 5.525 15.646 -3.643 669 HA ASP2096 HA ASP2096 6.715 13.160 -3.991 670 HB2 ASP2096 1HB ASP2096 7.742 14.429 -2.344 671 HB3 ASP2096 2HB ASP2096 6.209 15.042 -1.701 672 HD2 ASP2096 HD ASP2096 7.219 12.976 0.917 673 H LEU2097 H LEU2097 3.670 14.315 -2.430 674 HA LEU2097 HA LEU2097 2.966 11.895 -1.215 675 HB2 LEU2097 1HB LEU2097 1.892 13.730 -0.392 676 HB3 LEU2097 2HB LEU2097 1.549 14.408 -1.992 677 HG LEU2097 HG LEU2097 -0.269 12.919 -2.331 678 HD11 LEU2097 1HD1 LEU2097 1.191 11.141 -0.719 679 HD12 LEU2097 2HD1 LEU2097 -0.343 11.428 0.140 680 HD13 LEU2097 3HD1 LEU2097 -0.360 10.847 -1.544 681 HD21 LEU2097 3HD2 LEU2097 -1.280 13.215 0.256 682 HD22 LEU2097 1HD2 LEU2097 -0.128 14.557 0.055 683 HD23 LEU2097 2HD2 LEU2097 -1.457 14.344 -1.110 684 H THR2098 H THR2098 2.240 13.297 -4.464 685 HA THR2098 HA THR2098 0.518 11.267 -5.305 686 HB THR2098 HB THR2098 2.385 13.219 -6.736 687 HG1 THR2098 1HG THR2098 0.586 14.435 -6.315 688 HG21 THR2098 3HG2 THR2098 -0.003 11.901 -8.049 689 HG22 THR2098 1HG2 THR2098 1.421 12.651 -8.808 690 HG23 THR2098 2HG2 THR2098 1.554 11.039 -8.065 691 H GLN2099 H GLN2099 4.106 11.577 -5.625 692 HA GLN2099 HA GLN2099 4.462 9.316 -7.123 693 HB2 GLN2099 1HB GLN2099 6.078 11.162 -5.597 694 HB3 GLN2099 2HB GLN2099 6.681 9.515 -5.339 695 HG2 GLN2099 1HG GLN2099 6.051 9.814 -8.127 696 HG3 GLN2099 2HG GLN2099 7.014 11.219 -7.642 697 HE21 GLN2099 1HE2 GLN2099 8.416 10.049 -9.264 698 HE22 GLN2099 2HE2 GLN2099 9.565 8.907 -8.654 699 H ALA2100 H ALA2100 4.313 9.718 -3.532 700 HA ALA2100 HA ALA2100 4.961 7.115 -2.845 701 HB1 ALA2100 3HB ALA2100 4.120 9.498 -1.584 702 HB2 ALA2100 1HB ALA2100 2.941 8.257 -1.098 703 HB3 ALA2100 2HB ALA2100 4.678 8.002 -0.800 704 H TRP2101 H TRP2101 1.811 8.618 -3.762 705 HA TRP2101 HA TRP2101 0.279 6.313 -3.231 706 HB2 TRP2101 1HB TRP2101 -0.152 8.972 -4.044 707 HB3 TRP2101 2HB TRP2101 -0.853 7.953 -5.303 708 HD1 TRP2101 HD TRP2101 -1.739 9.421 -2.031 709 HE1 TRP2101 1HE TRP2101 -3.912 8.378 -0.955 710 HE3 TRP2101 3HE TRP2101 -1.961 5.381 -5.111 711 HZ2 TRP2101 2HZ TRP2101 -5.446 6.034 -1.502 712 HZ3 TRP2101 3HZ TRP2101 -3.828 3.764 -4.773 713 HH2 TRP2101 HH TRP2101 -5.532 4.039 -3.042 714 H ASP2102 H ASP2102 2.342 7.428 -5.898 715 HA ASP2102 HA ASP2102 1.294 5.865 -7.906 716 HB2 ASP2102 1HB ASP2102 3.347 7.665 -7.655 717 HB3 ASP2102 2HB ASP2102 4.265 6.159 -7.826 718 HD2 ASP2102 HD ASP2102 3.086 7.932 -11.008 719 H LEU2103 H LEU2103 4.016 5.288 -5.557 720 HA LEU2103 HA LEU2103 4.683 2.741 -6.461 721 HB2 LEU2103 1HB LEU2103 4.943 3.863 -3.676 722 HB3 LEU2103 2HB LEU2103 5.867 2.520 -4.371 723 HG LEU2103 HG LEU2103 6.015 5.139 -5.777 724 HD11 LEU2103 1HD1 LEU2103 7.666 4.760 -3.285 725 HD12 LEU2103 2HD1 LEU2103 7.411 6.230 -4.258 726 HD13 LEU2103 3HD1 LEU2103 6.091 5.590 -3.246 727 HD21 LEU2103 3HD2 LEU2103 7.559 3.914 -6.813 728 HD22 LEU2103 1HD2 LEU2103 8.562 4.122 -5.360 729 HD23 LEU2103 2HD2 LEU2103 7.546 2.671 -5.539 730 H TYR2104 H TYR2104 2.495 3.790 -3.760 731 HA TYR2104 HA TYR2104 1.729 1.255 -2.966 732 HB2 TYR2104 1HB TYR2104 0.340 3.988 -3.141 733 HB3 TYR2104 2HB TYR2104 -0.366 2.645 -2.239 734 HD1 TYR2104 1HD TYR2104 2.218 1.552 -1.052 735 HD2 TYR2104 2HD TYR2104 0.700 5.537 -1.388 736 HE1 TYR2104 1HE TYR2104 3.563 2.244 0.993 737 HE2 TYR2104 2HE TYR2104 2.047 6.215 0.659 738 HH TYR2104 HH TYR2104 4.121 5.431 1.786 739 H TYR2105 H TYR2105 0.137 3.489 -5.349 740 HA TYR2105 HA TYR2105 -2.037 1.995 -5.982 741 HB2 TYR2105 1HB TYR2105 -1.285 4.282 -6.829 742 HB3 TYR2105 2HB TYR2105 -0.074 3.481 -7.836 743 HD1 TYR2105 2HD TYR2105 -3.009 1.506 -7.722 744 HD2 TYR2105 1HD TYR2105 -1.374 5.010 -9.553 745 HE1 TYR2105 2HE TYR2105 -4.711 1.326 -9.603 746 HE2 TYR2105 1HE TYR2105 -3.080 4.817 -11.428 747 HH TYR2105 HH TYR2105 -5.659 2.434 -11.281 748 H HIS2106 H HIS2106 1.312 1.650 -7.311 749 HA HIS2106 HA HIS2106 0.655 -0.321 -9.163 750 HB2 HIS2106 1HB HIS2106 3.002 0.997 -8.152 751 HB3 HIS2106 2HB HIS2106 3.317 -0.737 -8.304 752 HD1 HIS2106 1HD HIS2106 5.010 0.357 -10.229 753 HD2 HIS2106 2HD HIS2106 0.898 0.278 -11.052 754 HE1 HIS2106 1HE HIS2106 4.782 0.634 -12.754 755 HE2 HIS2106 2HE HIS2106 2.230 0.578 -13.211 756 H VAL2107 H VAL2107 1.677 -0.473 -5.709 757 HA VAL2107 HA VAL2107 1.921 -3.258 -5.605 758 HB VAL2107 HB VAL2107 1.649 -1.002 -3.689 759 HG11 VAL2107 1HG1 VAL2107 0.343 -2.231 -2.309 760 HG12 VAL2107 2HG1 VAL2107 0.747 -3.766 -3.116 761 HG13 VAL2107 3HG1 VAL2107 1.871 -3.061 -1.929 762 HG21 VAL2107 3HG2 VAL2107 3.869 -1.322 -3.997 763 HG22 VAL2107 1HG2 VAL2107 3.651 -2.606 -2.784 764 HG23 VAL2107 2HG2 VAL2107 3.663 -3.011 -4.518 765 H PHE2108 H PHE2108 -0.801 -1.094 -4.533 766 HA PHE2108 HA PHE2108 -2.535 -3.218 -3.996 767 HB2 PHE2108 1HB PHE2108 -2.753 -0.244 -4.665 768 HB3 PHE2108 2HB PHE2108 -4.219 -1.187 -4.371 769 HD1 PHE2108 1HD PHE2108 -1.101 0.066 -2.852 770 HD2 PHE2108 2HD PHE2108 -4.848 -1.799 -2.156 771 HE1 PHE2108 1HE PHE2108 -0.828 0.438 -0.385 772 HE2 PHE2108 2HE PHE2108 -4.576 -1.428 0.311 773 HZ PHE2108 HZ PHE2108 -2.568 -0.315 1.166 774 H ARG2109 H ARG2109 -1.613 -1.575 -6.989 775 HA ARG2109 HA ARG2109 -3.933 -2.383 -8.383 776 HB2 ARG2109 1HB ARG2109 -2.815 -0.448 -9.223 777 HB3 ARG2109 2HB ARG2109 -1.232 -1.243 -9.210 778 HG2 ARG2109 1HG ARG2109 -1.543 -1.977 -11.318 779 HG3 ARG2109 2HG ARG2109 -3.077 -2.749 -10.878 780 HD2 ARG2109 1HD ARG2109 -3.338 0.162 -11.017 781 HD3 ARG2109 2HD ARG2109 -2.724 -0.491 -12.543 782 HE ARG2109 HE ARG2109 -4.858 -2.160 -11.757 783 HH11 ARG2109 2HH2 ARG2109 -4.426 1.247 -12.629 784 HH12 ARG2109 1HH2 ARG2109 -6.037 1.421 -13.243 785 H ARG2110 H ARG2110 -0.522 -3.528 -8.064 786 HA ARG2110 HA ARG2110 -0.639 -5.460 -10.015 787 HB2 ARG2110 1HB ARG2110 1.353 -4.540 -8.571 788 HB3 ARG2110 2HB ARG2110 0.940 -5.845 -7.444 789 HG2 ARG2110 1HG ARG2110 2.304 -7.123 -8.726 790 HG3 ARG2110 2HG ARG2110 0.964 -7.162 -9.886 791 HD2 ARG2110 1HD ARG2110 2.328 -6.156 -11.376 792 HD3 ARG2110 2HD ARG2110 2.313 -4.707 -10.359 793 HE ARG2110 HE ARG2110 4.442 -5.298 -9.526 794 HH11 ARG2110 2HH2 ARG2110 3.122 -7.965 -11.449 795 HH12 ARG2110 1HH2 ARG2110 4.616 -8.839 -11.491 796 H ILE2111 H ILE2111 -1.195 -5.693 -6.427 797 HA ILE2111 HA ILE2111 -1.653 -8.340 -6.162 798 HB ILE2111 HB ILE2111 -3.281 -7.657 -4.353 799 HG12 ILE2111 1HG1 ILE2111 -2.444 -4.859 -5.130 800 HG13 ILE2111 2HG1 ILE2111 -4.027 -5.560 -5.514 801 HG21 ILE2111 1HG2 ILE2111 -1.559 -7.124 -2.907 802 HG22 ILE2111 2HG2 ILE2111 -0.687 -7.886 -4.258 803 HG23 ILE2111 3HG2 ILE2111 -0.717 -6.113 -4.107 804 HD11 ILE2111 3HD1 ILE2111 -4.096 -6.086 -2.920 805 HD12 ILE2111 1HD1 ILE2111 -2.853 -4.813 -2.828 806 HD13 ILE2111 2HD1 ILE2111 -4.461 -4.442 -3.496 807 H SER2112 H SER2112 -3.692 -5.926 -7.785 808 HA SER2112 HA SER2112 -5.889 -7.745 -7.938 809 HB2 SER2112 1HB SER2112 -5.323 -4.982 -9.044 810 HB3 SER2112 2HB SER2112 -6.774 -5.881 -9.522 811 HG SER2112 HG SER2112 -7.068 -6.093 -7.056 812 H LYS2113 H LYS2113 -3.469 -6.255 -10.199 813 HA LYS2113 HA LYS2113 -4.310 -7.399 -12.535 814 HB2 LYS2113 1HB LYS2113 -1.974 -6.070 -11.522 815 HB3 LYS2113 2HB LYS2113 -1.482 -7.394 -12.593 816 HG2 LYS2113 1HG LYS2113 -3.780 -5.833 -13.599 817 HG3 LYS2113 2HG LYS2113 -2.307 -4.865 -13.411 818 HD2 LYS2113 1HD LYS2113 -1.827 -5.674 -15.487 819 HD3 LYS2113 2HD LYS2113 -1.288 -7.114 -14.607 820 HE2 LYS2113 1HE LYS2113 -4.011 -7.551 -14.834 821 HE3 LYS2113 2HE LYS2113 -3.653 -6.724 -16.359 822 HZ1 LYS2113 2HZ LYS2113 -1.647 -8.627 -15.896 823 HZ3 LYS2113 1HZ LYS2113 -2.769 -8.643 -17.078 824 H GLN2114 H GLN2114 -4.597 -9.452 -13.203 825 HA GLN2114 HA GLN2114 -4.157 -11.605 -11.633 826 HB2 GLN2114 1HB GLN2114 -5.181 -11.113 -14.178 827 HB3 GLN2114 2HB GLN2114 -3.863 -12.256 -14.488 828 HG2 GLN2114 1HG GLN2114 -5.615 -12.879 -12.158 829 HG3 GLN2114 2HG GLN2114 -6.392 -12.998 -13.744 830 HE21 GLN2114 1HE2 GLN2114 -4.213 -14.359 -11.490 831 HE22 GLN2114 2HE2 GLN2114 -3.713 -15.753 -12.389 Start of MODEL 32 1 H MET2014 H MET2014 7.516 -14.306 -8.125 2 HA MET2014 HA MET2014 7.536 -16.996 -7.928 3 HB2 MET2014 1HB MET2014 8.282 -15.777 -5.424 4 HB3 MET2014 2HB MET2014 6.669 -16.476 -5.205 5 HG2 MET2014 1HG MET2014 7.478 -18.663 -5.968 6 HG3 MET2014 2HG MET2014 9.060 -17.985 -6.368 7 HE1 MET2014 3HE MET2014 11.087 -18.384 -4.393 8 HE2 MET2014 1HE MET2014 10.466 -16.780 -4.847 9 HE3 MET2014 2HE MET2014 10.714 -17.186 -3.131 10 H GLU2015 H GLU2015 5.481 -17.628 -8.481 11 HA GLU2015 HA GLU2015 3.389 -15.675 -7.917 12 HB2 GLU2015 1HB GLU2015 2.219 -16.593 -9.890 13 HB3 GLU2015 2HB GLU2015 3.831 -15.994 -10.321 14 HG2 GLU2015 1HG GLU2015 3.791 -18.832 -9.504 15 HG3 GLU2015 2HG GLU2015 2.812 -18.509 -10.942 16 HE2 GLU2015 HE GLU2015 6.757 -18.461 -11.140 17 H LEU2016 H LEU2016 4.646 -18.565 -6.827 18 HA LEU2016 HA LEU2016 2.099 -19.894 -6.447 19 HB2 LEU2016 1HB LEU2016 4.966 -20.584 -6.186 20 HB3 LEU2016 2HB LEU2016 3.831 -21.431 -5.120 21 HG LEU2016 HG LEU2016 2.593 -21.704 -7.531 22 HD11 LEU2016 1HD1 LEU2016 4.449 -20.586 -8.711 23 HD12 LEU2016 2HD1 LEU2016 5.559 -21.852 -8.135 24 HD13 LEU2016 3HD1 LEU2016 4.221 -22.273 -9.232 25 HD21 LEU2016 3HD2 LEU2016 3.497 -24.001 -7.549 26 HD22 LEU2016 1HD2 LEU2016 4.687 -23.524 -6.315 27 HD23 LEU2016 2HD2 LEU2016 2.950 -23.487 -5.935 28 H ILE2017 H ILE2017 1.603 -20.719 -4.158 29 HA ILE2017 HA ILE2017 1.050 -20.259 -2.072 30 HB ILE2017 HB ILE2017 3.729 -18.873 -2.083 31 HG12 ILE2017 1HG1 ILE2017 3.926 -21.114 -0.527 32 HG13 ILE2017 2HG1 ILE2017 2.826 -21.660 -1.806 33 HG21 ILE2017 1HG2 ILE2017 1.657 -18.681 -0.137 34 HG22 ILE2017 2HG2 ILE2017 2.958 -19.693 0.536 35 HG23 ILE2017 3HG2 ILE2017 3.322 -18.058 -0.065 36 HD11 ILE2017 3HD1 ILE2017 5.694 -20.784 -1.972 37 HD12 ILE2017 1HD1 ILE2017 4.852 -22.087 -2.844 38 HD13 ILE2017 2HD1 ILE2017 4.638 -20.395 -3.349 39 H ARG2018 H ARG2018 -0.307 -18.815 -1.013 40 HA ARG2018 HA ARG2018 -0.108 -16.050 -1.750 41 HB2 ARG2018 1HB ARG2018 -2.105 -17.869 -2.873 42 HB3 ARG2018 2HB ARG2018 -2.889 -16.563 -1.969 43 HG2 ARG2018 1HG ARG2018 -0.657 -15.645 -3.666 44 HG3 ARG2018 2HG ARG2018 -1.959 -16.410 -4.595 45 HD2 ARG2018 1HD ARG2018 -2.597 -14.348 -2.472 46 HD3 ARG2018 2HD ARG2018 -2.068 -13.822 -4.078 47 HE ARG2018 HE ARG2018 -4.632 -15.070 -3.374 48 HH11 ARG2018 2HH2 ARG2018 -2.373 -14.353 -6.008 49 HH12 ARG2018 1HH2 ARG2018 -3.581 -14.477 -7.244 50 H VAL2019 H VAL2019 -1.960 -14.774 -0.474 51 HA VAL2019 HA VAL2019 -1.615 -15.222 2.209 52 HB VAL2019 HB VAL2019 -2.314 -13.118 1.769 53 HG11 VAL2019 1HG1 VAL2019 -2.855 -12.903 -0.422 54 HG12 VAL2019 2HG1 VAL2019 -3.832 -14.390 -0.442 55 HG13 VAL2019 3HG1 VAL2019 -4.518 -12.884 0.213 56 HG21 VAL2019 3HG2 VAL2019 -4.072 -14.556 3.279 57 HG22 VAL2019 1HG2 VAL2019 -4.143 -12.791 3.057 58 HG23 VAL2019 2HG2 VAL2019 -5.164 -13.857 2.061 59 HA PRO2020 HA PRO2020 -4.284 -18.527 3.050 60 HB2 PRO2020 1HB PRO2020 -4.317 -18.386 5.777 61 HB3 PRO2020 2HB PRO2020 -3.023 -19.166 4.868 62 HG2 PRO2020 1HG PRO2020 -3.083 -16.537 6.208 63 HG3 PRO2020 2HG PRO2020 -1.653 -17.514 5.717 64 HD2 PRO2020 1HD PRO2020 -2.725 -15.171 4.469 65 HD3 PRO2020 2HD PRO2020 -1.412 -16.187 3.854 66 H ILE2021 H ILE2021 -4.940 -15.492 4.689 67 HA ILE2021 HA ILE2021 -7.756 -16.231 4.757 68 HB ILE2021 HB ILE2021 -6.355 -13.816 5.904 69 HG12 ILE2021 1HG1 ILE2021 -5.392 -15.721 6.941 70 HG13 ILE2021 2HG1 ILE2021 -6.566 -15.041 8.082 71 HG21 ILE2021 1HG2 ILE2021 -8.659 -13.327 5.658 72 HG22 ILE2021 2HG2 ILE2021 -9.141 -14.942 6.231 73 HG23 ILE2021 3HG2 ILE2021 -8.420 -13.774 7.364 74 HD11 ILE2021 3HD1 ILE2021 -8.211 -16.755 7.441 75 HD12 ILE2021 1HD1 ILE2021 -7.104 -17.385 6.197 76 HD13 ILE2021 2HD1 ILE2021 -6.688 -17.540 7.922 77 H LEU2022 H LEU2022 -6.247 -13.005 4.186 78 HA LEU2022 HA LEU2022 -6.691 -12.824 1.484 79 HB2 LEU2022 1HB LEU2022 -9.118 -13.094 2.695 80 HB3 LEU2022 2HB LEU2022 -8.965 -11.331 2.581 81 HG LEU2022 HG LEU2022 -8.669 -13.246 0.252 82 HD11 LEU2022 1HD1 LEU2022 -10.958 -12.044 -0.331 83 HD12 LEU2022 2HD1 LEU2022 -10.896 -13.523 0.660 84 HD13 LEU2022 3HD1 LEU2022 -11.071 -11.933 1.442 85 HD21 LEU2022 3HD2 LEU2022 -7.684 -10.746 0.399 86 HD22 LEU2022 1HD2 LEU2022 -8.300 -11.476 -1.102 87 HD23 LEU2022 2HD2 LEU2022 -9.337 -10.385 -0.151 88 H TRP2023 H TRP2023 -4.762 -11.656 1.647 89 HA TRP2023 HA TRP2023 -4.614 -9.406 3.422 90 HB2 TRP2023 1HB TRP2023 -2.796 -10.757 1.480 91 HB3 TRP2023 2HB TRP2023 -2.436 -9.101 1.975 92 HD1 TRP2023 HD TRP2023 -3.981 -11.177 4.732 93 HE1 TRP2023 1HE TRP2023 -2.217 -11.888 6.560 94 HE3 TRP2023 3HE TRP2023 0.119 -9.755 2.082 95 HZ2 TRP2023 2HZ TRP2023 0.631 -11.779 6.692 96 HZ3 TRP2023 3HZ TRP2023 2.354 -10.091 3.134 97 HH2 TRP2023 HH TRP2023 2.648 -11.065 5.357 98 H HIS2024 H HIS2024 -4.898 -10.043 -0.133 99 HA HIS2024 HA HIS2024 -4.755 -7.495 -1.055 100 HB2 HIS2024 1HB HIS2024 -6.762 -9.472 -2.116 101 HB3 HIS2024 2HB HIS2024 -5.831 -8.265 -3.007 102 HD1 HIS2024 1HD HIS2024 -5.714 -11.099 -4.046 103 HD2 HIS2024 2HD HIS2024 -3.069 -9.649 -1.128 104 HE1 HIS2024 1HE HIS2024 -3.651 -12.599 -4.140 105 HE2 HIS2024 2HE HIS2024 -2.055 -11.667 -2.323 106 H GLU2025 H GLU2025 -7.217 -8.947 0.970 107 HA GLU2025 HA GLU2025 -9.317 -7.253 0.272 108 HB2 GLU2025 1HB GLU2025 -9.618 -9.362 1.501 109 HB3 GLU2025 2HB GLU2025 -8.752 -8.700 2.898 110 HG2 GLU2025 1HG GLU2025 -10.988 -8.364 3.495 111 HG3 GLU2025 2HG GLU2025 -10.571 -6.795 2.787 112 HE2 GLU2025 HE GLU2025 -12.849 -7.114 0.258 113 H MET2026 H MET2026 -6.509 -6.928 2.438 114 HA MET2026 HA MET2026 -7.565 -4.624 3.726 115 HB2 MET2026 1HB MET2026 -5.684 -4.835 5.074 116 HB3 MET2026 2HB MET2026 -5.650 -6.461 4.371 117 HG2 MET2026 1HG MET2026 -3.927 -5.883 2.847 118 HG3 MET2026 2HG MET2026 -4.231 -4.151 3.003 119 HE1 MET2026 3HE MET2026 -1.383 -4.529 3.137 120 HE2 MET2026 1HE MET2026 -2.166 -3.053 3.752 121 HE3 MET2026 2HE MET2026 -0.897 -3.852 4.710 122 H TRP2027 H TRP2027 -5.402 -5.335 0.967 123 HA TRP2027 HA TRP2027 -4.397 -2.715 0.691 124 HB2 TRP2027 1HB TRP2027 -4.655 -4.964 -1.307 125 HB3 TRP2027 2HB TRP2027 -3.730 -3.482 -1.560 126 HD1 TRP2027 HD TRP2027 -3.693 -6.603 0.773 127 HE1 TRP2027 1HE TRP2027 -1.244 -7.104 1.620 128 HE3 TRP2027 3HE TRP2027 -1.567 -2.480 -1.310 129 HZ2 TRP2027 2HZ TRP2027 1.251 -5.750 1.328 130 HZ3 TRP2027 3HZ TRP2027 0.880 -2.144 -0.982 131 HH2 TRP2027 HH TRP2027 2.280 -3.697 0.284 132 H HIS2028 H HIS2028 -7.257 -4.518 -0.549 133 HA HIS2028 HA HIS2028 -8.056 -2.421 -2.281 134 HB2 HIS2028 1HB HIS2028 -8.894 -5.103 -1.590 135 HB3 HIS2028 2HB HIS2028 -10.287 -4.023 -1.702 136 HD1 HIS2028 1HD HIS2028 -11.280 -4.472 -3.955 137 HD2 HIS2028 2HD HIS2028 -7.099 -4.149 -4.099 138 HE1 HIS2028 1HE HIS2028 -10.637 -4.608 -6.420 139 HE2 HIS2028 2HE HIS2028 -8.052 -4.406 -6.455 140 H GLU2029 H GLU2029 -9.404 -3.693 0.851 141 HA GLU2029 HA GLU2029 -11.197 -1.597 1.130 142 HB2 GLU2029 1HB GLU2029 -11.723 -2.544 3.192 143 HB3 GLU2029 2HB GLU2029 -11.021 -3.931 2.338 144 HG2 GLU2029 1HG GLU2029 -9.898 -4.022 4.380 145 HG3 GLU2029 2HG GLU2029 -8.758 -3.070 3.419 146 HE2 GLU2029 HE GLU2029 -11.047 -1.138 6.111 147 H GLY2030 H GLY2030 -7.779 -2.016 2.103 148 HA2 GLY2030 2HA GLY2030 -7.568 0.120 3.895 149 HA3 GLY2030 3HA GLY2030 -6.271 -0.586 2.951 150 H LEU2031 H LEU2031 -6.449 0.017 0.431 151 HA LEU2031 HA LEU2031 -6.055 2.773 0.284 152 HB2 LEU2031 1HB LEU2031 -5.552 0.552 -1.261 153 HB3 LEU2031 2HB LEU2031 -6.697 1.476 -2.248 154 HG LEU2031 HG LEU2031 -5.223 3.399 -2.215 155 HD11 LEU2031 1HD1 LEU2031 -4.093 3.597 -0.259 156 HD12 LEU2031 2HD1 LEU2031 -3.812 1.845 -0.110 157 HD13 LEU2031 3HD1 LEU2031 -2.811 2.816 -1.217 158 HD21 LEU2031 3HD2 LEU2031 -3.093 1.619 -2.938 159 HD22 LEU2031 1HD2 LEU2031 -4.647 0.923 -3.452 160 HD23 LEU2031 2HD2 LEU2031 -4.186 2.558 -3.984 161 H GLU2032 H GLU2032 -8.930 0.728 -0.101 162 HA GLU2032 HA GLU2032 -10.489 2.434 -1.566 163 HB2 GLU2032 1HB GLU2032 -10.905 0.174 0.293 164 HB3 GLU2032 2HB GLU2032 -12.301 1.257 0.160 165 HG2 GLU2032 1HG GLU2032 -12.203 1.027 -2.322 166 HG3 GLU2032 2HG GLU2032 -10.838 -0.090 -2.162 167 HE2 GLU2032 HE GLU2032 -12.901 -2.749 -1.637 168 H GLU2033 H GLU2033 -10.130 2.199 2.043 169 HA GLU2033 HA GLU2033 -11.830 4.410 2.458 170 HB2 GLU2033 1HB GLU2033 -11.072 2.386 4.023 171 HB3 GLU2033 2HB GLU2033 -9.835 3.545 4.539 172 HG2 GLU2033 1HG GLU2033 -12.826 3.646 4.851 173 HG3 GLU2033 2HG GLU2033 -11.568 4.032 6.036 174 HE2 GLU2033 HE GLU2033 -12.944 6.820 3.545 175 H ALA2034 H ALA2034 -8.241 3.896 2.679 176 HA ALA2034 HA ALA2034 -7.550 6.460 3.409 177 HB1 ALA2034 3HB ALA2034 -6.131 4.369 1.714 178 HB2 ALA2034 1HB ALA2034 -5.349 5.857 2.303 179 HB3 ALA2034 2HB ALA2034 -5.958 4.651 3.464 180 H SER2035 H SER2035 -7.924 5.038 0.090 181 HA SER2035 HA SER2035 -7.319 7.444 -1.186 182 HB2 SER2035 1HB SER2035 -7.931 6.335 -3.196 183 HB3 SER2035 2HB SER2035 -7.278 5.062 -2.151 184 HG SER2035 HG SER2035 -9.858 5.111 -1.582 185 H ARG2036 H ARG2036 -10.288 6.011 0.159 186 HA ARG2036 HA ARG2036 -12.123 7.520 -1.224 187 HB2 ARG2036 1HB ARG2036 -12.043 5.866 1.209 188 HB3 ARG2036 2HB ARG2036 -13.224 7.181 1.344 189 HG2 ARG2036 1HG ARG2036 -14.263 6.473 -0.779 190 HG3 ARG2036 2HG ARG2036 -13.060 5.184 -0.964 191 HD2 ARG2036 1HD ARG2036 -14.514 3.854 0.155 192 HD3 ARG2036 2HD ARG2036 -14.102 4.771 1.612 193 HE ARG2036 HE ARG2036 -16.231 5.712 1.527 194 HH11 ARG2036 2HH2 ARG2036 -15.383 4.614 -1.733 195 HH12 ARG2036 1HH2 ARG2036 -16.926 5.026 -2.407 196 H LEU2037 H LEU2037 -10.565 8.087 2.015 197 HA LEU2037 HA LEU2037 -11.791 10.633 2.320 198 HB2 LEU2037 1HB LEU2037 -10.597 10.785 4.321 199 HB3 LEU2037 2HB LEU2037 -11.088 9.089 4.155 200 HG LEU2037 HG LEU2037 -8.540 9.180 3.034 201 HD11 LEU2037 1HD1 LEU2037 -8.275 11.467 3.964 202 HD12 LEU2037 2HD1 LEU2037 -8.505 10.795 5.596 203 HD13 LEU2037 3HD1 LEU2037 -7.108 10.293 4.615 204 HD21 LEU2037 3HD2 LEU2037 -7.878 7.916 5.054 205 HD22 LEU2037 1HD2 LEU2037 -9.422 8.364 5.815 206 HD23 LEU2037 2HD2 LEU2037 -9.412 7.351 4.351 207 H TYR2038 H TYR2038 -8.622 9.406 1.147 208 HA TYR2038 HA TYR2038 -7.299 11.834 0.995 209 HB2 TYR2038 1HB TYR2038 -6.381 9.503 0.668 210 HB3 TYR2038 2HB TYR2038 -7.319 9.343 -0.822 211 HD1 TYR2038 2HD TYR2038 -4.964 11.907 0.607 212 HD2 TYR2038 1HD TYR2038 -6.006 9.430 -2.723 213 HE1 TYR2038 2HE TYR2038 -3.005 12.846 -0.714 214 HE2 TYR2038 1HE TYR2038 -4.043 10.378 -4.032 215 HH TYR2038 HH TYR2038 -2.562 12.034 -4.104 216 H PHE2039 H PHE2039 -9.170 10.105 -1.604 217 HA PHE2039 HA PHE2039 -8.920 12.281 -3.393 218 HB2 PHE2039 1HB PHE2039 -10.591 9.742 -3.108 219 HB3 PHE2039 2HB PHE2039 -10.906 10.844 -4.451 220 HD1 PHE2039 2HD PHE2039 -7.973 9.181 -2.830 221 HD2 PHE2039 1HD PHE2039 -9.883 10.330 -6.442 222 HE1 PHE2039 2HE PHE2039 -6.145 8.077 -4.150 223 HE2 PHE2039 1HE PHE2039 -8.056 9.225 -7.761 224 HZ PHE2039 HZ PHE2039 -6.208 8.113 -6.599 225 H GLY2040 H GLY2040 -11.514 11.103 -1.170 226 HA2 GLY2040 2HA GLY2040 -13.466 12.980 -1.997 227 HA3 GLY2040 3HA GLY2040 -13.455 12.038 -0.519 228 H GLU2041 H GLU2041 -11.755 12.802 1.205 229 HA GLU2041 HA GLU2041 -10.474 15.016 1.432 230 HB2 GLU2041 1HB GLU2041 -11.945 16.584 0.573 231 HB3 GLU2041 2HB GLU2041 -13.381 15.773 1.223 232 HG2 GLU2041 1HG GLU2041 -12.912 16.567 3.447 233 HG3 GLU2041 2HG GLU2041 -11.295 17.123 2.989 234 HE2 GLU2041 HE GLU2041 -14.523 19.293 2.010 235 H ARG2042 H ARG2042 -9.728 15.169 3.546 236 HA ARG2042 HA ARG2042 -11.245 14.974 5.779 237 HB2 ARG2042 1HB ARG2042 -11.547 12.561 4.825 238 HB3 ARG2042 2HB ARG2042 -9.878 12.284 5.357 239 HG2 ARG2042 1HG ARG2042 -12.368 12.760 6.972 240 HG3 ARG2042 2HG ARG2042 -11.056 11.602 7.254 241 HD2 ARG2042 1HD ARG2042 -9.570 13.472 7.938 242 HD3 ARG2042 2HD ARG2042 -10.876 14.629 7.648 243 HE ARG2042 HE ARG2042 -10.551 12.911 9.965 244 HH11 ARG2042 2HH2 ARG2042 -13.002 14.473 7.940 245 HH12 ARG2042 1HH2 ARG2042 -14.197 14.506 9.196 246 H ASN2043 H ASN2043 -8.176 13.667 4.340 247 HA ASN2043 HA ASN2043 -6.437 15.403 5.187 248 HB2 ASN2043 1HB ASN2043 -7.504 14.025 7.550 249 HB3 ASN2043 2HB ASN2043 -5.751 13.818 7.436 250 HD21 ASN2043 1HD2 ASN2043 -5.602 15.083 9.341 251 HD22 ASN2043 2HD2 ASN2043 -5.686 16.812 9.292 252 H VAL2044 H VAL2044 -4.114 14.320 5.623 253 HA VAL2044 HA VAL2044 -3.957 12.060 3.842 254 HB VAL2044 HB VAL2044 -2.061 14.003 5.098 255 HG11 VAL2044 1HG1 VAL2044 -1.275 11.342 3.867 256 HG12 VAL2044 2HG1 VAL2044 -0.155 12.706 4.106 257 HG13 VAL2044 3HG1 VAL2044 -0.919 11.926 5.512 258 HG21 VAL2044 3HG2 VAL2044 -2.039 13.090 2.234 259 HG22 VAL2044 1HG2 VAL2044 -3.329 14.180 2.800 260 HG23 VAL2044 2HG2 VAL2044 -1.623 14.676 2.929 261 H LYS2045 H LYS2045 -3.841 12.777 7.307 262 HA LYS2045 HA LYS2045 -2.440 10.566 8.195 263 HB2 LYS2045 1HB LYS2045 -3.565 10.944 10.317 264 HB3 LYS2045 2HB LYS2045 -3.032 12.476 9.601 265 HG2 LYS2045 1HG LYS2045 -5.147 13.226 9.798 266 HG3 LYS2045 2HG LYS2045 -5.655 12.019 8.605 267 HD2 LYS2045 1HD LYS2045 -7.021 11.525 10.441 268 HD3 LYS2045 2HD LYS2045 -5.688 10.379 10.667 269 HE2 LYS2045 1HE LYS2045 -4.813 12.702 11.966 270 HE3 LYS2045 2HE LYS2045 -6.537 12.639 12.353 271 HZ1 LYS2045 2HZ LYS2045 -5.226 10.089 12.587 272 HZ3 LYS2045 1HZ LYS2045 -6.187 10.848 13.662 273 H GLY2046 H GLY2046 -5.787 10.908 7.010 274 HA2 GLY2046 2HA GLY2046 -6.969 8.625 7.957 275 HA3 GLY2046 3HA GLY2046 -7.280 9.344 6.391 276 H MET2047 H MET2047 -4.988 8.977 4.923 277 HA MET2047 HA MET2047 -5.162 6.253 4.323 278 HB2 MET2047 1HB MET2047 -4.649 7.660 2.498 279 HB3 MET2047 2HB MET2047 -3.481 8.616 3.426 280 HG2 MET2047 1HG MET2047 -2.019 6.499 3.483 281 HG3 MET2047 2HG MET2047 -3.122 5.807 2.292 282 HE1 MET2047 3HE MET2047 -0.033 8.954 2.153 283 HE2 MET2047 1HE MET2047 -1.552 9.880 2.072 284 HE3 MET2047 2HE MET2047 -1.275 8.740 3.412 285 H PHE2048 H PHE2048 -2.445 8.273 5.655 286 HA PHE2048 HA PHE2048 -0.609 6.268 5.966 287 HB2 PHE2048 1HB PHE2048 -1.357 8.863 7.353 288 HB3 PHE2048 2HB PHE2048 -0.084 7.883 8.094 289 HD1 PHE2048 1HD PHE2048 -1.039 9.801 5.093 290 HD2 PHE2048 2HD PHE2048 2.093 7.786 7.126 291 HE1 PHE2048 1HE PHE2048 0.633 10.814 3.520 292 HE2 PHE2048 2HE PHE2048 3.765 8.798 5.552 293 HZ PHE2048 HZ PHE2048 3.016 10.302 3.768 294 H GLU2049 H GLU2049 -3.132 7.388 8.323 295 HA GLU2049 HA GLU2049 -2.366 5.543 10.276 296 HB2 GLU2049 1HB GLU2049 -4.425 6.186 11.406 297 HB3 GLU2049 2HB GLU2049 -3.669 7.630 10.713 298 HG2 GLU2049 1HG GLU2049 -5.760 8.011 9.884 299 HG3 GLU2049 2HG GLU2049 -5.281 6.855 8.634 300 HE2 GLU2049 HE GLU2049 -6.962 4.271 10.646 301 H VAL2050 H VAL2050 -4.072 5.213 7.283 302 HA VAL2050 HA VAL2050 -5.603 2.920 8.137 303 HB VAL2050 HB VAL2050 -5.286 4.544 5.647 304 HG11 VAL2050 1HG1 VAL2050 -6.658 1.836 5.705 305 HG12 VAL2050 2HG1 VAL2050 -6.563 2.961 4.329 306 HG13 VAL2050 3HG1 VAL2050 -5.089 2.167 4.933 307 HG21 VAL2050 3HG2 VAL2050 -7.030 4.730 7.682 308 HG22 VAL2050 1HG2 VAL2050 -7.455 5.151 6.005 309 HG23 VAL2050 2HG2 VAL2050 -7.910 3.562 6.667 310 H LEU2051 H LEU2051 -2.704 3.685 6.122 311 HA LEU2051 HA LEU2051 -2.252 0.909 5.570 312 HB2 LEU2051 1HB LEU2051 -0.146 2.952 5.172 313 HB3 LEU2051 2HB LEU2051 -0.653 1.615 4.126 314 HG LEU2051 HG LEU2051 -1.796 4.383 4.394 315 HD11 LEU2051 1HD1 LEU2051 0.012 3.634 2.701 316 HD12 LEU2051 2HD1 LEU2051 -1.335 2.830 1.858 317 HD13 LEU2051 3HD1 LEU2051 -1.372 4.591 2.120 318 HD21 LEU2051 3HD2 LEU2051 -3.499 3.052 2.645 319 HD22 LEU2051 1HD2 LEU2051 -3.338 1.946 4.031 320 HD23 LEU2051 2HD2 LEU2051 -3.882 3.620 4.288 321 H GLU2052 H GLU2052 -0.955 3.433 7.787 322 HA GLU2052 HA GLU2052 1.223 2.330 8.763 323 HB2 GLU2052 1HB GLU2052 -0.901 4.022 9.824 324 HB3 GLU2052 2HB GLU2052 -0.157 3.064 11.113 325 HG2 GLU2052 1HG GLU2052 1.678 4.355 9.131 326 HG3 GLU2052 2HG GLU2052 0.851 5.436 10.263 327 HE2 GLU2052 HE GLU2052 4.036 3.973 11.586 328 HA PRO2053 HA PRO2053 -1.220 -0.753 11.414 329 HB2 PRO2053 1HB PRO2053 -3.917 -1.015 11.067 330 HB3 PRO2053 2HB PRO2053 -3.200 -0.010 12.323 331 HG2 PRO2053 1HG PRO2053 -4.439 0.754 9.756 332 HG3 PRO2053 2HG PRO2053 -4.159 1.772 11.215 333 HD2 PRO2053 1HD PRO2053 -2.713 1.766 8.744 334 HD3 PRO2053 2HD PRO2053 -2.302 2.674 10.205 335 H LEU2054 H LEU2054 -2.978 -0.532 8.356 336 HA LEU2054 HA LEU2054 -3.218 -3.209 7.886 337 HB2 LEU2054 1HB LEU2054 -2.865 -0.841 6.082 338 HB3 LEU2054 2HB LEU2054 -3.071 -2.476 5.427 339 HG LEU2054 HG LEU2054 -5.021 -0.928 7.155 340 HD11 LEU2054 1HD1 LEU2054 -4.970 -1.664 4.226 341 HD12 LEU2054 2HD1 LEU2054 -6.472 -1.226 5.077 342 HD13 LEU2054 3HD1 LEU2054 -5.135 -0.056 4.975 343 HD21 LEU2054 3HD2 LEU2054 -6.303 -3.190 6.117 344 HD22 LEU2054 1HD2 LEU2054 -4.748 -3.781 6.750 345 HD23 LEU2054 2HD2 LEU2054 -5.856 -2.878 7.810 346 H HIS2055 H HIS2055 -0.479 -1.063 6.834 347 HA HIS2055 HA HIS2055 1.036 -3.136 5.781 348 HB2 HIS2055 1HB HIS2055 1.665 -0.375 6.792 349 HB3 HIS2055 2HB HIS2055 2.953 -1.445 6.230 350 HD1 HIS2055 1HD HIS2055 3.066 0.731 4.461 351 HD2 HIS2055 2HD HIS2055 -0.047 -2.045 4.004 352 HE1 HIS2055 1HE HIS2055 2.180 1.036 2.087 353 HE2 HIS2055 2HE HIS2055 0.261 -0.695 1.859 354 H ALA2056 H ALA2056 1.100 -1.573 9.054 355 HA ALA2056 HA ALA2056 3.185 -2.991 10.127 356 HB1 ALA2056 3HB ALA2056 0.602 -2.029 11.424 357 HB2 ALA2056 1HB ALA2056 2.076 -2.498 12.305 358 HB3 ALA2056 2HB ALA2056 2.101 -1.088 11.218 359 H MET2057 H MET2057 -0.339 -3.860 10.049 360 HA MET2057 HA MET2057 -0.196 -6.168 11.454 361 HB2 MET2057 1HB MET2057 -2.392 -6.096 10.846 362 HB3 MET2057 2HB MET2057 -2.016 -4.838 9.656 363 HG2 MET2057 1HG MET2057 -1.579 -6.514 7.944 364 HG3 MET2057 2HG MET2057 -1.681 -7.827 9.123 365 HE1 MET2057 3HE MET2057 -2.841 -7.024 6.415 366 HE2 MET2057 1HE MET2057 -4.213 -8.146 6.565 367 HE3 MET2057 2HE MET2057 -4.507 -6.403 6.361 368 H MET2058 H MET2058 0.647 -5.589 8.008 369 HA MET2058 HA MET2058 0.898 -8.292 7.351 370 HB2 MET2058 1HB MET2058 2.338 -5.861 6.167 371 HB3 MET2058 2HB MET2058 2.053 -7.400 5.335 372 HG2 MET2058 1HG MET2058 -0.505 -6.669 6.127 373 HG3 MET2058 2HG MET2058 0.225 -5.101 5.773 374 HE1 MET2058 3HE MET2058 -2.185 -6.875 3.306 375 HE2 MET2058 1HE MET2058 -1.259 -8.394 3.389 376 HE3 MET2058 2HE MET2058 -1.743 -7.564 4.887 377 H GLU2059 H GLU2059 3.113 -5.880 8.788 378 HA GLU2059 HA GLU2059 5.408 -7.482 8.412 379 HB2 GLU2059 1HB GLU2059 5.146 -5.313 10.501 380 HB3 GLU2059 2HB GLU2059 6.577 -5.770 9.560 381 HG2 GLU2059 1HG GLU2059 4.150 -4.178 8.719 382 HG3 GLU2059 2HG GLU2059 5.863 -3.771 8.520 383 HE2 GLU2059 HE GLU2059 4.210 -5.087 5.421 384 H ARG2060 H ARG2060 3.601 -6.487 11.416 385 HA ARG2060 HA ARG2060 4.897 -8.463 12.928 386 HB2 ARG2060 1HB ARG2060 3.307 -7.794 14.716 387 HB3 ARG2060 2HB ARG2060 4.014 -6.368 13.932 388 HG2 ARG2060 1HG ARG2060 2.003 -6.042 12.603 389 HG3 ARG2060 2HG ARG2060 1.309 -7.569 13.177 390 HD2 ARG2060 1HD ARG2060 1.958 -6.114 15.513 391 HD3 ARG2060 2HD ARG2060 1.254 -4.916 14.415 392 HE ARG2060 HE ARG2060 -0.817 -6.011 14.598 393 HH11 ARG2060 2HH2 ARG2060 1.724 -8.095 15.922 394 HH12 ARG2060 1HH2 ARG2060 0.608 -9.243 16.584 395 H GLY2061 H GLY2061 2.443 -8.627 10.590 396 HA2 GLY2061 2HA GLY2061 1.427 -11.159 11.734 397 HA3 GLY2061 3HA GLY2061 0.368 -9.989 10.968 398 HA PRO2062 HA PRO2062 3.123 -11.627 7.494 399 HB2 PRO2062 1HB PRO2062 5.196 -13.324 8.035 400 HB3 PRO2062 2HB PRO2062 5.395 -11.581 7.866 401 HG2 PRO2062 1HG PRO2062 5.333 -13.254 10.295 402 HG3 PRO2062 2HG PRO2062 6.008 -11.597 10.088 403 HD2 PRO2062 1HD PRO2062 3.564 -12.380 11.360 404 HD3 PRO2062 2HD PRO2062 4.105 -10.727 11.042 405 H GLN2063 H GLN2063 4.085 -14.125 6.689 406 HA GLN2063 HA GLN2063 1.928 -15.834 7.628 407 HB2 GLN2063 1HB GLN2063 1.851 -14.582 5.176 408 HB3 GLN2063 2HB GLN2063 2.585 -16.139 4.754 409 HG2 GLN2063 1HG GLN2063 0.434 -16.647 6.580 410 HG3 GLN2063 2HG GLN2063 -0.178 -15.537 5.343 411 HE21 GLN2063 1HE2 GLN2063 0.418 -18.704 6.172 412 HE22 GLN2063 2HE2 GLN2063 0.333 -19.464 4.619 413 H THR2064 H THR2064 4.663 -15.934 5.223 414 HA THR2064 HA THR2064 6.293 -17.586 6.794 415 HB THR2064 HB THR2064 4.785 -19.407 6.558 416 HG1 THR2064 1HG THR2064 6.251 -20.641 5.425 417 HG21 THR2064 3HG2 THR2064 3.114 -19.335 5.004 418 HG22 THR2064 1HG2 THR2064 3.901 -17.957 4.194 419 HG23 THR2064 2HG2 THR2064 4.329 -19.624 3.734 420 H LEU2065 H LEU2065 8.165 -18.475 5.496 421 HA LEU2065 HA LEU2065 9.293 -16.475 4.017 422 HB2 LEU2065 1HB LEU2065 10.225 -18.638 5.111 423 HB3 LEU2065 2HB LEU2065 9.990 -19.341 3.502 424 HG LEU2065 HG LEU2065 12.275 -18.618 3.767 425 HD11 LEU2065 1HD1 LEU2065 10.740 -18.070 1.620 426 HD12 LEU2065 2HD1 LEU2065 11.331 -16.434 2.002 427 HD13 LEU2065 3HD1 LEU2065 12.490 -17.750 1.695 428 HD21 LEU2065 3HD2 LEU2065 11.182 -16.522 5.281 429 HD22 LEU2065 1HD2 LEU2065 12.898 -16.828 4.919 430 HD23 LEU2065 2HD2 LEU2065 11.946 -15.751 3.869 431 H LYS2066 H LYS2066 6.953 -18.934 3.043 432 HA LYS2066 HA LYS2066 7.453 -18.698 0.260 433 HB2 LYS2066 1HB LYS2066 5.479 -20.023 2.031 434 HB3 LYS2066 2HB LYS2066 4.950 -19.688 0.374 435 HG2 LYS2066 1HG LYS2066 6.014 -21.608 -0.171 436 HG3 LYS2066 2HG LYS2066 7.521 -20.695 0.009 437 HD2 LYS2066 1HD LYS2066 6.506 -21.598 2.595 438 HD3 LYS2066 2HD LYS2066 6.710 -22.965 1.487 439 HE2 LYS2066 1HE LYS2066 9.012 -22.646 1.314 440 HE3 LYS2066 2HE LYS2066 8.917 -20.915 1.670 441 HZ1 LYS2066 2HZ LYS2066 8.145 -21.779 3.984 442 HZ3 LYS2066 1HZ LYS2066 9.736 -21.816 3.636 443 H GLU2067 H GLU2067 5.203 -17.149 2.608 444 HA GLU2067 HA GLU2067 3.908 -15.687 0.559 445 HB2 GLU2067 1HB GLU2067 2.869 -16.358 2.749 446 HB3 GLU2067 2HB GLU2067 3.898 -15.167 3.563 447 HG2 GLU2067 1HG GLU2067 1.973 -13.914 3.220 448 HG3 GLU2067 2HG GLU2067 2.863 -13.517 1.742 449 HE2 GLU2067 HE GLU2067 -0.286 -14.396 0.444 450 H THR2068 H THR2068 6.842 -15.341 2.422 451 HA THR2068 HA THR2068 7.094 -12.585 2.573 452 HB THR2068 HB THR2068 9.119 -14.852 2.217 453 HG1 THR2068 1HG THR2068 8.007 -14.963 4.205 454 HG21 THR2068 3HG2 THR2068 10.817 -13.338 3.050 455 HG22 THR2068 1HG2 THR2068 10.046 -12.493 1.686 456 HG23 THR2068 2HG2 THR2068 9.616 -12.061 3.357 457 H SER2069 H SER2069 7.238 -14.726 -0.221 458 HA SER2069 HA SER2069 8.781 -13.230 -1.889 459 HB2 SER2069 1HB SER2069 6.421 -15.061 -2.303 460 HB3 SER2069 2HB SER2069 7.118 -14.216 -3.698 461 HG SER2069 HG SER2069 9.019 -15.437 -2.045 462 H PHE2070 H PHE2070 5.272 -12.921 -1.085 463 HA PHE2070 HA PHE2070 4.786 -10.862 -2.953 464 HB2 PHE2070 1HB PHE2070 2.856 -11.980 -2.183 465 HB3 PHE2070 2HB PHE2070 3.507 -12.186 -0.551 466 HD1 PHE2070 2HD PHE2070 3.330 -10.344 1.076 467 HD2 PHE2070 1HD PHE2070 1.563 -10.064 -2.773 468 HE1 PHE2070 2HE PHE2070 1.917 -8.426 1.864 469 HE2 PHE2070 1HE PHE2070 0.150 -8.146 -1.985 470 HZ PHE2070 HZ PHE2070 0.344 -7.349 0.324 471 H ASN2071 H ASN2071 5.254 -10.859 0.656 472 HA ASN2071 HA ASN2071 4.974 -8.233 1.109 473 HB2 ASN2071 1HB ASN2071 5.454 -10.003 2.827 474 HB3 ASN2071 2HB ASN2071 7.148 -10.024 2.318 475 HD21 ASN2071 1HD2 ASN2071 6.346 -9.508 4.915 476 HD22 ASN2071 2HD2 ASN2071 6.712 -7.870 5.342 477 H GLN2072 H GLN2072 7.757 -10.009 -0.307 478 HA GLN2072 HA GLN2072 9.459 -7.731 -0.231 479 HB2 GLN2072 1HB GLN2072 9.640 -10.497 -1.443 480 HB3 GLN2072 2HB GLN2072 10.883 -9.276 -1.776 481 HG2 GLN2072 1HG GLN2072 11.267 -9.030 0.667 482 HG3 GLN2072 2HG GLN2072 10.029 -10.254 0.992 483 HE21 GLN2072 1HE2 GLN2072 10.358 -12.325 -0.331 484 HE22 GLN2072 2HE2 GLN2072 11.958 -12.992 -0.345 485 H ALA2073 H ALA2073 7.509 -9.495 -2.711 486 HA ALA2073 HA ALA2073 8.288 -8.261 -4.985 487 HB1 ALA2073 3HB ALA2073 6.260 -9.001 -5.879 488 HB2 ALA2073 1HB ALA2073 6.428 -10.039 -4.442 489 HB3 ALA2073 2HB ALA2073 5.351 -8.623 -4.398 490 H TYR2074 H TYR2074 6.346 -6.915 -2.303 491 HA TYR2074 HA TYR2074 6.166 -4.393 -3.801 492 HB2 TYR2074 1HB TYR2074 4.728 -5.614 -1.369 493 HB3 TYR2074 2HB TYR2074 4.396 -3.982 -1.957 494 HD1 TYR2074 2HD TYR2074 3.744 -3.871 -4.545 495 HD2 TYR2074 1HD TYR2074 3.364 -7.344 -2.071 496 HE1 TYR2074 2HE TYR2074 2.001 -4.824 -6.134 497 HE2 TYR2074 1HE TYR2074 1.624 -8.282 -3.668 498 HH TYR2074 HH TYR2074 0.449 -6.364 -6.387 499 H GLY2075 H GLY2075 7.474 -6.024 -0.940 500 HA2 GLY2075 2HA GLY2075 7.946 -4.089 0.866 501 HA3 GLY2075 3HA GLY2075 9.111 -5.331 0.461 502 H ARG2076 H ARG2076 9.287 -4.283 -2.419 503 HA ARG2076 HA ARG2076 11.358 -2.430 -1.840 504 HB2 ARG2076 1HB ARG2076 11.584 -4.169 -3.603 505 HB3 ARG2076 2HB ARG2076 10.260 -3.428 -4.518 506 HG2 ARG2076 1HG ARG2076 12.488 -2.766 -5.391 507 HG3 ARG2076 2HG ARG2076 11.588 -1.362 -4.791 508 HD2 ARG2076 1HD ARG2076 13.200 -0.911 -3.270 509 HD3 ARG2076 2HD ARG2076 13.170 -2.570 -2.651 510 HE ARG2076 HE ARG2076 15.090 -2.995 -3.906 511 HH11 ARG2076 2HH2 ARG2076 13.436 -0.199 -5.323 512 HH12 ARG2076 1HH2 ARG2076 14.683 0.103 -6.489 513 H ASP2077 H ASP2077 8.176 -2.422 -3.570 514 HA ASP2077 HA ASP2077 8.346 0.219 -4.408 515 HB2 ASP2077 1HB ASP2077 5.878 -1.443 -3.742 516 HB3 ASP2077 2HB ASP2077 5.880 0.024 -4.733 517 HD2 ASP2077 HD ASP2077 6.875 -3.491 -6.287 518 H LEU2078 H LEU2078 6.699 -1.396 -1.591 519 HA LEU2078 HA LEU2078 5.565 0.855 -0.468 520 HB2 LEU2078 1HB LEU2078 6.438 -1.814 0.523 521 HB3 LEU2078 2HB LEU2078 5.945 -0.584 1.701 522 HG LEU2078 HG LEU2078 3.759 -0.411 0.534 523 HD11 LEU2078 1HD1 LEU2078 3.378 -2.621 -0.946 524 HD12 LEU2078 2HD1 LEU2078 3.866 -1.053 -1.633 525 HD13 LEU2078 3HD1 LEU2078 5.089 -2.308 -1.322 526 HD21 LEU2078 3HD2 LEU2078 4.457 -2.125 2.438 527 HD22 LEU2078 1HD2 LEU2078 2.833 -2.125 1.715 528 HD23 LEU2078 2HD2 LEU2078 4.045 -3.310 1.176 529 H MET2079 H MET2079 8.893 -0.480 -0.194 530 HA MET2079 HA MET2079 9.738 1.144 1.858 531 HB2 MET2079 1HB MET2079 10.967 -0.821 0.900 532 HB3 MET2079 2HB MET2079 11.303 0.107 -0.571 533 HG2 MET2079 1HG MET2079 13.103 1.071 0.404 534 HG3 MET2079 2HG MET2079 12.125 1.633 1.764 535 HE1 MET2079 3HE MET2079 11.465 -2.027 2.843 536 HE2 MET2079 1HE MET2079 11.971 -1.003 4.208 537 HE3 MET2079 2HE MET2079 10.896 -0.346 2.952 538 H GLU2080 H GLU2080 9.883 1.663 -1.730 539 HA GLU2080 HA GLU2080 11.096 4.188 -1.439 540 HB2 GLU2080 1HB GLU2080 11.261 2.691 -3.457 541 HB3 GLU2080 2HB GLU2080 9.577 3.088 -3.843 542 HG2 GLU2080 1HG GLU2080 10.091 5.290 -4.407 543 HG3 GLU2080 2HG GLU2080 11.526 5.343 -3.371 544 HE2 GLU2080 HE GLU2080 13.546 3.792 -5.783 545 H ALA2081 H ALA2081 7.731 3.055 -2.165 546 HA ALA2081 HA ALA2081 6.595 5.569 -2.473 547 HB1 ALA2081 3HB ALA2081 5.613 3.304 -3.039 548 HB2 ALA2081 1HB ALA2081 5.279 3.088 -1.305 549 HB3 ALA2081 2HB ALA2081 4.498 4.411 -2.203 550 H GLN2082 H GLN2082 7.150 3.535 0.459 551 HA GLN2082 HA GLN2082 5.783 5.236 2.182 552 HB2 GLN2082 1HB GLN2082 6.268 2.945 2.797 553 HB3 GLN2082 2HB GLN2082 8.014 3.221 2.681 554 HG2 GLN2082 1HG GLN2082 6.886 5.187 4.456 555 HG3 GLN2082 2HG GLN2082 6.286 3.595 4.950 556 HE21 GLN2082 1HE2 GLN2082 7.521 2.429 6.208 557 HE22 GLN2082 2HE2 GLN2082 9.224 2.609 6.468 558 H GLU2083 H GLU2083 9.077 5.250 0.843 559 HA GLU2083 HA GLU2083 10.137 7.023 2.736 560 HB2 GLU2083 1HB GLU2083 12.003 6.388 1.680 561 HB3 GLU2083 2HB GLU2083 11.041 5.586 0.424 562 HG2 GLU2083 1HG GLU2083 10.909 7.673 -0.849 563 HG3 GLU2083 2HG GLU2083 11.741 8.559 0.438 564 HE2 GLU2083 HE GLU2083 14.669 7.929 -1.206 565 H TRP2084 H TRP2084 8.346 7.392 -0.335 566 HA TRP2084 HA TRP2084 8.901 10.156 -0.633 567 HB2 TRP2084 1HB TRP2084 6.907 8.252 -1.823 568 HB3 TRP2084 2HB TRP2084 6.843 9.982 -2.168 569 HD1 TRP2084 HD TRP2084 8.676 6.838 -3.185 570 HE1 TRP2084 1HE TRP2084 10.505 7.294 -5.031 571 HE3 TRP2084 3HE TRP2084 8.539 11.907 -2.815 572 HZ2 TRP2084 2HZ TRP2084 11.663 9.670 -6.105 573 HZ3 TRP2084 3HZ TRP2084 10.051 13.220 -4.299 574 HH2 TRP2084 HH TRP2084 11.575 12.181 -5.903 575 H CYS2085 H CYS2085 6.481 8.146 1.071 576 HA CYS2085 HA CYS2085 4.693 10.249 1.602 577 HB2 CYS2085 1HB CYS2085 4.994 7.433 2.323 578 HB3 CYS2085 2HB CYS2085 4.309 8.406 3.636 579 HG CYS2085 HG CYS2085 2.643 9.696 1.859 580 H ARG2086 H ARG2086 7.319 8.613 3.511 581 HA ARG2086 HA ARG2086 7.044 10.158 5.759 582 HB2 ARG2086 1HB ARG2086 9.115 8.394 4.565 583 HB3 ARG2086 2HB ARG2086 9.755 9.577 5.719 584 HG2 ARG2086 1HG ARG2086 9.223 7.785 7.116 585 HG3 ARG2086 2HG ARG2086 7.746 8.756 7.235 586 HD2 ARG2086 1HD ARG2086 6.931 7.301 5.208 587 HD3 ARG2086 2HD ARG2086 8.231 6.194 5.680 588 HE ARG2086 HE ARG2086 5.724 6.691 7.109 589 HH11 ARG2086 2HH2 ARG2086 9.066 5.565 7.461 590 HH12 ARG2086 1HH2 ARG2086 8.736 4.639 8.887 591 H LYS2087 H LYS2087 9.134 10.585 2.829 592 HA LYS2087 HA LYS2087 10.512 12.827 3.705 593 HB2 LYS2087 1HB LYS2087 11.369 11.712 1.851 594 HB3 LYS2087 2HB LYS2087 9.819 11.717 0.991 595 HG2 LYS2087 1HG LYS2087 10.632 14.435 1.620 596 HG3 LYS2087 2HG LYS2087 11.945 13.600 0.770 597 HD2 LYS2087 1HD LYS2087 9.342 13.015 -0.427 598 HD3 LYS2087 2HD LYS2087 9.640 14.760 -0.378 599 HE2 LYS2087 1HE LYS2087 10.513 13.876 -2.468 600 HE3 LYS2087 2HE LYS2087 11.888 14.339 -1.455 601 HZ1 LYS2087 2HZ LYS2087 10.844 11.567 -1.517 602 HZ3 LYS2087 1HZ LYS2087 12.284 12.069 -0.947 603 H TYR2088 H TYR2088 7.283 12.452 2.187 604 HA TYR2088 HA TYR2088 6.891 15.234 1.807 605 HB2 TYR2088 1HB TYR2088 5.532 13.765 0.513 606 HB3 TYR2088 2HB TYR2088 5.339 12.619 1.844 607 HD1 TYR2088 2HD TYR2088 3.650 13.044 3.612 608 HD2 TYR2088 1HD TYR2088 4.007 15.595 0.195 609 HE1 TYR2088 2HE TYR2088 1.353 14.023 4.093 610 HE2 TYR2088 1HE TYR2088 1.710 16.563 0.687 611 HH TYR2088 HH TYR2088 0.240 16.842 2.564 612 H MET2089 H MET2089 6.086 12.880 4.414 613 HA MET2089 HA MET2089 4.406 14.543 5.833 614 HB2 MET2089 1HB MET2089 6.273 12.250 6.563 615 HB3 MET2089 2HB MET2089 5.284 13.029 7.811 616 HG2 MET2089 1HG MET2089 3.507 12.527 5.672 617 HG3 MET2089 2HG MET2089 4.511 11.077 5.764 618 HE1 MET2089 3HE MET2089 1.132 12.478 8.053 619 HE2 MET2089 1HE MET2089 1.646 12.478 6.348 620 HE3 MET2089 2HE MET2089 1.004 10.989 7.084 621 H LYS2090 H LYS2090 7.986 14.236 5.816 622 HA LYS2090 HA LYS2090 8.196 16.172 7.965 623 HB2 LYS2090 1HB LYS2090 9.753 14.011 7.016 624 HB3 LYS2090 2HB LYS2090 10.720 15.480 6.783 625 HG2 LYS2090 1HG LYS2090 9.246 14.971 9.380 626 HG3 LYS2090 2HG LYS2090 10.830 14.235 9.091 627 HD2 LYS2090 1HD LYS2090 11.933 16.250 9.219 628 HD3 LYS2090 2HD LYS2090 10.584 17.168 8.528 629 HE2 LYS2090 1HE LYS2090 9.400 17.158 10.622 630 HE3 LYS2090 2HE LYS2090 10.489 15.946 11.320 631 HZ1 LYS2090 2HZ LYS2090 12.150 17.533 11.574 632 HZ3 LYS2090 1HZ LYS2090 10.838 18.456 11.850 633 H SER2091 H SER2091 9.224 15.813 4.499 634 HA SER2091 HA SER2091 10.140 18.435 4.327 635 HB2 SER2091 1HB SER2091 10.659 16.468 2.791 636 HB3 SER2091 2HB SER2091 9.084 16.741 2.025 637 HG SER2091 HG SER2091 11.216 18.693 2.241 638 H GLY2092 H GLY2092 7.201 16.955 2.753 639 HA2 GLY2092 2HA GLY2092 5.038 17.827 2.926 640 HA3 GLY2092 3HA GLY2092 5.686 19.382 3.408 641 H ASN2093 H ASN2093 4.996 17.209 0.681 642 HA ASN2093 HA ASN2093 4.829 19.464 -1.026 643 HB2 ASN2093 1HB ASN2093 7.325 18.162 -0.933 644 HB3 ASN2093 2HB ASN2093 6.546 17.471 -2.364 645 HD21 ASN2093 1HD2 ASN2093 8.307 18.570 -3.464 646 HD22 ASN2093 2HD2 ASN2093 8.142 20.234 -3.914 647 H VAL2094 H VAL2094 2.804 18.910 -1.869 648 HA VAL2094 HA VAL2094 1.655 16.457 -1.897 649 HB VAL2094 HB VAL2094 1.349 18.907 -3.597 650 HG11 VAL2094 1HG1 VAL2094 0.693 17.318 -5.195 651 HG12 VAL2094 2HG1 VAL2094 -0.046 16.255 -3.973 652 HG13 VAL2094 3HG1 VAL2094 -0.833 17.792 -4.408 653 HG21 VAL2094 3HG2 VAL2094 0.528 19.120 -1.361 654 HG22 VAL2094 1HG2 VAL2094 -0.885 18.933 -2.426 655 HG23 VAL2094 2HG2 VAL2094 -0.315 17.554 -1.456 656 H LYS2095 H LYS2095 3.867 17.899 -4.341 657 HA LYS2095 HA LYS2095 3.588 16.065 -6.348 658 HB2 LYS2095 1HB LYS2095 5.007 18.223 -6.140 659 HB3 LYS2095 2HB LYS2095 6.292 17.142 -5.579 660 HG2 LYS2095 1HG LYS2095 6.323 15.946 -7.631 661 HG3 LYS2095 2HG LYS2095 4.743 16.572 -8.132 662 HD2 LYS2095 1HD LYS2095 5.780 18.243 -9.224 663 HD3 LYS2095 2HD LYS2095 6.452 18.831 -7.694 664 HE2 LYS2095 1HE LYS2095 8.246 16.962 -8.032 665 HE3 LYS2095 2HE LYS2095 7.689 16.927 -9.712 666 HZ1 LYS2095 2HZ LYS2095 8.538 19.016 -10.082 667 HZ3 LYS2095 1HZ LYS2095 9.580 18.574 -8.912 668 H ASP2096 H ASP2096 5.482 15.818 -3.296 669 HA ASP2096 HA ASP2096 6.677 13.393 -4.000 670 HB2 ASP2096 1HB ASP2096 6.052 14.563 -1.255 671 HB3 ASP2096 2HB ASP2096 7.181 13.232 -1.549 672 HD2 ASP2096 HD ASP2096 9.297 15.665 -3.298 673 H LEU2097 H LEU2097 3.694 14.377 -2.220 674 HA LEU2097 HA LEU2097 3.010 11.823 -1.284 675 HB2 LEU2097 1HB LEU2097 2.127 14.382 -0.946 676 HB3 LEU2097 2HB LEU2097 0.799 13.658 -1.869 677 HG LEU2097 HG LEU2097 1.872 12.875 0.844 678 HD11 LEU2097 1HD1 LEU2097 -0.172 13.517 1.695 679 HD12 LEU2097 2HD1 LEU2097 0.062 14.705 0.392 680 HD13 LEU2097 3HD1 LEU2097 -1.013 13.310 0.140 681 HD21 LEU2097 3HD2 LEU2097 1.038 11.042 -1.104 682 HD22 LEU2097 1HD2 LEU2097 1.233 10.759 0.642 683 HD23 LEU2097 2HD2 LEU2097 -0.353 11.236 -0.011 684 H THR2098 H THR2098 2.240 13.628 -4.309 685 HA THR2098 HA THR2098 0.433 11.739 -5.326 686 HB THR2098 HB THR2098 2.241 13.879 -6.547 687 HG1 THR2098 1HG THR2098 -0.618 13.455 -6.022 688 HG21 THR2098 3HG2 THR2098 0.378 11.895 -7.847 689 HG22 THR2098 1HG2 THR2098 0.272 13.590 -8.378 690 HG23 THR2098 2HG2 THR2098 1.809 12.705 -8.525 691 H GLN2099 H GLN2099 4.011 12.060 -5.685 692 HA GLN2099 HA GLN2099 4.234 9.962 -7.482 693 HB2 GLN2099 1HB GLN2099 5.951 11.768 -6.093 694 HB3 GLN2099 2HB GLN2099 6.595 10.137 -5.830 695 HG2 GLN2099 1HG GLN2099 5.738 11.015 -8.594 696 HG3 GLN2099 2HG GLN2099 7.320 11.507 -7.970 697 HE21 GLN2099 1HE2 GLN2099 7.026 9.937 -10.214 698 HE22 GLN2099 2HE2 GLN2099 7.624 8.339 -9.921 699 H ALA2100 H ALA2100 4.362 10.096 -3.878 700 HA ALA2100 HA ALA2100 5.080 7.403 -3.528 701 HB1 ALA2100 3HB ALA2100 4.896 9.602 -1.941 702 HB2 ALA2100 1HB ALA2100 3.408 8.747 -1.467 703 HB3 ALA2100 2HB ALA2100 4.987 7.941 -1.310 704 H TRP2101 H TRP2101 1.921 9.132 -3.740 705 HA TRP2101 HA TRP2101 0.331 6.922 -3.105 706 HB2 TRP2101 1HB TRP2101 -0.008 9.633 -3.905 707 HB3 TRP2101 2HB TRP2101 -1.037 8.625 -4.924 708 HD1 TRP2101 HD TRP2101 -1.064 10.279 -1.613 709 HE1 TRP2101 1HE TRP2101 -3.031 9.478 -0.049 710 HE3 TRP2101 3HE TRP2101 -2.291 6.189 -4.375 711 HZ2 TRP2101 2HZ TRP2101 -4.841 7.271 -0.139 712 HZ3 TRP2101 3HZ TRP2101 -4.170 4.764 -3.566 713 HH2 TRP2101 HH TRP2101 -5.429 5.248 -1.528 714 H ASP2102 H ASP2102 2.037 7.989 -6.037 715 HA ASP2102 HA ASP2102 0.588 6.444 -7.839 716 HB2 ASP2102 1HB ASP2102 2.603 8.304 -7.987 717 HB3 ASP2102 2HB ASP2102 3.502 6.826 -8.362 718 HD2 ASP2102 HD ASP2102 2.218 6.587 -11.521 719 H LEU2103 H LEU2103 3.721 5.948 -6.055 720 HA LEU2103 HA LEU2103 4.381 3.483 -7.093 721 HB2 LEU2103 1HB LEU2103 4.875 4.635 -4.353 722 HB3 LEU2103 2HB LEU2103 5.694 3.208 -5.017 723 HG LEU2103 HG LEU2103 5.803 5.910 -6.361 724 HD11 LEU2103 1HD1 LEU2103 8.093 6.092 -5.232 725 HD12 LEU2103 2HD1 LEU2103 6.655 6.439 -4.240 726 HD13 LEU2103 3HD1 LEU2103 7.489 4.875 -4.082 727 HD21 LEU2103 3HD2 LEU2103 7.046 3.264 -6.769 728 HD22 LEU2103 1HD2 LEU2103 6.710 4.576 -7.925 729 HD23 LEU2103 2HD2 LEU2103 8.154 4.652 -6.887 730 H TYR2104 H TYR2104 2.399 4.275 -4.159 731 HA TYR2104 HA TYR2104 1.870 1.649 -3.433 732 HB2 TYR2104 1HB TYR2104 0.484 4.370 -3.242 733 HB3 TYR2104 2HB TYR2104 -0.280 2.953 -2.516 734 HD1 TYR2104 2HD TYR2104 2.148 1.552 -1.446 735 HD2 TYR2104 1HD TYR2104 1.043 5.685 -1.384 736 HE1 TYR2104 2HE TYR2104 3.541 1.901 0.652 737 HE2 TYR2104 1HE TYR2104 2.440 6.020 0.715 738 HH TYR2104 HH TYR2104 3.841 3.302 2.398 739 H TYR2105 H TYR2105 0.074 3.892 -5.634 740 HA TYR2105 HA TYR2105 -2.154 2.379 -6.088 741 HB2 TYR2105 1HB TYR2105 -1.206 4.720 -6.944 742 HB3 TYR2105 2HB TYR2105 -0.531 3.779 -8.279 743 HD1 TYR2105 2HD TYR2105 -3.255 1.917 -7.822 744 HD2 TYR2105 1HD TYR2105 -2.341 5.958 -8.887 745 HE1 TYR2105 2HE TYR2105 -5.473 2.102 -9.050 746 HE2 TYR2105 1HE TYR2105 -4.564 6.131 -10.111 747 HH TYR2105 HH TYR2105 -7.039 4.237 -9.624 748 H HIS2106 H HIS2106 1.051 2.179 -7.776 749 HA HIS2106 HA HIS2106 0.263 0.213 -9.578 750 HB2 HIS2106 1HB HIS2106 2.576 1.691 -8.959 751 HB3 HIS2106 2HB HIS2106 3.054 -0.011 -8.871 752 HD1 HIS2106 1HD HIS2106 3.111 2.608 -11.196 753 HD2 HIS2106 2HD HIS2106 1.764 -1.359 -11.412 754 HE1 HIS2106 1HE HIS2106 3.068 2.001 -13.674 755 HE2 HIS2106 2HE HIS2106 2.229 -0.450 -13.754 756 H VAL2107 H VAL2107 1.733 0.027 -6.283 757 HA VAL2107 HA VAL2107 2.120 -2.717 -6.234 758 HB VAL2107 HB VAL2107 1.767 -0.535 -4.234 759 HG11 VAL2107 1HG1 VAL2107 1.541 -3.483 -3.627 760 HG12 VAL2107 2HG1 VAL2107 2.210 -2.341 -2.436 761 HG13 VAL2107 3HG1 VAL2107 0.546 -2.133 -3.034 762 HG21 VAL2107 3HG2 VAL2107 3.919 -2.101 -5.411 763 HG22 VAL2107 1HG2 VAL2107 3.984 -0.567 -4.509 764 HG23 VAL2107 2HG2 VAL2107 3.993 -2.116 -3.632 765 H PHE2108 H PHE2108 -0.703 -0.771 -5.021 766 HA PHE2108 HA PHE2108 -2.228 -3.034 -4.384 767 HB2 PHE2108 1HB PHE2108 -2.726 -0.084 -5.012 768 HB3 PHE2108 2HB PHE2108 -4.084 -1.144 -4.622 769 HD1 PHE2108 1HD PHE2108 -0.671 -0.488 -3.233 770 HD2 PHE2108 2HD PHE2108 -4.816 -0.958 -2.456 771 HE1 PHE2108 1HE PHE2108 -0.256 -0.096 -0.790 772 HE2 PHE2108 2HE PHE2108 -4.402 -0.566 -0.012 773 HZ PHE2108 HZ PHE2108 -2.127 -0.140 0.792 774 H ARG2109 H ARG2109 -1.630 -1.285 -7.402 775 HA ARG2109 HA ARG2109 -3.954 -2.222 -8.679 776 HB2 ARG2109 1HB ARG2109 -1.475 -0.739 -9.422 777 HB3 ARG2109 2HB ARG2109 -2.241 -1.628 -10.750 778 HG2 ARG2109 1HG ARG2109 -4.337 -0.338 -9.331 779 HG3 ARG2109 2HG ARG2109 -3.051 0.870 -9.491 780 HD2 ARG2109 1HD ARG2109 -3.804 1.220 -11.595 781 HD3 ARG2109 2HD ARG2109 -3.164 -0.378 -12.018 782 HE ARG2109 HE ARG2109 -5.616 -0.977 -10.927 783 HH11 ARG2109 2HH2 ARG2109 -4.626 1.307 -13.449 784 HH12 ARG2109 1HH2 ARG2109 -6.136 1.219 -14.295 785 H ARG2110 H ARG2110 -0.761 -3.520 -7.985 786 HA ARG2110 HA ARG2110 -0.787 -5.383 -10.113 787 HB2 ARG2110 1HB ARG2110 0.964 -4.692 -7.809 788 HB3 ARG2110 2HB ARG2110 1.033 -6.395 -8.292 789 HG2 ARG2110 1HG ARG2110 1.260 -4.144 -10.313 790 HG3 ARG2110 2HG ARG2110 2.682 -4.730 -9.430 791 HD2 ARG2110 1HD ARG2110 2.632 -6.815 -10.487 792 HD3 ARG2110 2HD ARG2110 0.894 -6.736 -10.816 793 HE ARG2110 HE ARG2110 2.037 -4.645 -12.295 794 HH11 ARG2110 2HH2 ARG2110 2.414 -8.167 -12.175 795 HH12 ARG2110 1HH2 ARG2110 2.867 -8.300 -13.842 796 H ILE2111 H ILE2111 -1.290 -5.506 -6.517 797 HA ILE2111 HA ILE2111 -1.806 -8.242 -6.379 798 HB ILE2111 HB ILE2111 -3.164 -7.322 -4.279 799 HG12 ILE2111 1HG1 ILE2111 -1.198 -5.099 -4.504 800 HG13 ILE2111 2HG1 ILE2111 -2.724 -4.936 -5.386 801 HG21 ILE2111 1HG2 ILE2111 -0.625 -8.349 -4.780 802 HG22 ILE2111 2HG2 ILE2111 -0.330 -6.893 -3.803 803 HG23 ILE2111 3HG2 ILE2111 -1.416 -8.165 -3.195 804 HD11 ILE2111 3HD1 ILE2111 -2.309 -4.346 -2.689 805 HD12 ILE2111 1HD1 ILE2111 -3.892 -4.578 -3.469 806 HD13 ILE2111 2HD1 ILE2111 -3.101 -5.940 -2.643 807 H SER2112 H SER2112 -3.734 -5.513 -7.496 808 HA SER2112 HA SER2112 -6.183 -6.954 -7.245 809 HB2 SER2112 1HB SER2112 -6.352 -4.594 -7.014 810 HB3 SER2112 2HB SER2112 -5.399 -4.290 -8.478 811 HG SER2112 HG SER2112 -7.141 -4.950 -9.758 812 H LYS2113 H LYS2113 -4.041 -5.792 -9.943 813 HA LYS2113 HA LYS2113 -5.405 -6.675 -12.092 814 HB2 LYS2113 1HB LYS2113 -2.643 -6.088 -11.424 815 HB3 LYS2113 2HB LYS2113 -2.757 -7.342 -12.672 816 HG2 LYS2113 1HG LYS2113 -4.662 -5.144 -13.094 817 HG3 LYS2113 2HG LYS2113 -2.985 -4.574 -13.066 818 HD2 LYS2113 1HD LYS2113 -2.624 -5.419 -15.122 819 HD3 LYS2113 2HD LYS2113 -3.162 -7.028 -14.614 820 HE2 LYS2113 1HE LYS2113 -5.144 -6.769 -15.672 821 HE3 LYS2113 2HE LYS2113 -5.430 -5.196 -14.913 822 HZ1 LYS2113 2HZ LYS2113 -4.312 -4.123 -16.658 823 HZ3 LYS2113 1HZ LYS2113 -5.125 -5.291 -17.452 824 H GLN2114 H GLN2114 -5.886 -8.599 -13.119 825 HA GLN2114 HA GLN2114 -6.204 -10.829 -11.666 826 HB2 GLN2114 1HB GLN2114 -6.273 -10.099 -14.479 827 HB3 GLN2114 2HB GLN2114 -5.711 -11.770 -14.289 828 HG2 GLN2114 1HG GLN2114 -7.793 -11.723 -12.514 829 HG3 GLN2114 2HG GLN2114 -8.378 -10.557 -13.709 830 HE21 GLN2114 1HE2 GLN2114 -10.007 -11.886 -14.415 831 HE22 GLN2114 2HE2 GLN2114 -9.748 -13.306 -15.374
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