data_17414 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17414 _Entry.PDB_ID 2L8L save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 17414 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LEU N N 2 122.945 124.788 -1.843 17414 2 1 1 . 1 1 2 2 LEU HA H 2 5.005 4.839 0.166 17414 3 1 1 . 1 1 2 2 LEU CA C 2 53.355 53.541 -0.186 17414 4 1 1 . 1 1 2 2 LEU CB C 2 43.858 43.558 0.300 17414 5 1 1 . 1 1 3 3 ALA N N 3 121.232 126.749 -5.517 17414 6 1 1 . 1 1 3 3 ALA HA H 3 4.730 4.755 -0.025 17414 7 1 1 . 1 1 3 3 ALA CA C 3 52.302 51.421 0.881 17414 8 1 1 . 1 1 3 3 ALA CB C 3 21.769 20.103 1.666 17414 9 1 1 . 1 1 4 4 GLU N N 4 121.283 121.675 -0.392 17414 10 1 1 . 1 1 4 4 GLU HA H 4 4.074 4.131 -0.057 17414 11 1 1 . 1 1 4 4 GLU CA C 4 57.136 58.544 -1.408 17414 12 1 1 . 1 1 4 4 GLU CB C 4 31.847 29.532 2.315 17414 13 1 1 . 1 1 5 5 GLY N N 5 119.858 115.249 4.609 17414 14 1 1 . 1 1 5 5 GLY CA C 5 44.157 45.187 -1.030 17414 15 1 1 . 1 1 6 6 THR N N 6 117.099 116.815 0.284 17414 16 1 1 . 1 1 6 6 THR HA H 6 4.301 4.306 -0.005 17414 17 1 1 . 1 1 6 6 THR CA C 6 65.228 63.878 1.350 17414 18 1 1 . 1 1 6 6 THR CB C 6 68.654 69.103 -0.449 17414 19 1 1 . 1 1 7 7 ARG N N 7 130.107 127.301 2.806 17414 20 1 1 . 1 1 7 7 ARG HA H 7 4.878 4.709 0.169 17414 21 1 1 . 1 1 7 7 ARG CA C 7 55.868 56.115 -0.247 17414 22 1 1 . 1 1 8 8 ILE N N 8 123.872 122.207 1.665 17414 23 1 1 . 1 1 8 8 ILE HA H 8 4.531 4.677 -0.146 17414 24 1 1 . 1 1 8 8 ILE CA C 8 59.240 60.489 -1.249 17414 25 1 1 . 1 1 8 8 ILE CB C 8 40.450 40.347 0.103 17414 26 1 1 . 1 1 9 9 PHE N N 9 129.317 129.585 -0.268 17414 27 1 1 . 1 1 9 9 PHE HA H 9 4.832 4.717 0.115 17414 28 1 1 . 1 1 9 9 PHE CA C 9 56.960 57.903 -0.943 17414 29 1 1 . 1 1 9 9 PHE CB C 9 40.542 39.910 0.632 17414 30 1 1 . 1 1 10 10 ASP N N 10 128.073 127.697 0.376 17414 31 1 1 . 1 1 10 10 ASP HA H 10 5.529 4.932 0.597 17414 32 1 1 . 1 1 10 10 ASP CA C 10 49.160 50.081 -0.921 17414 33 1 1 . 1 1 10 10 ASP CB C 10 43.037 42.512 0.525 17414 34 1 1 . 1 1 11 11 PRO HA H 11 3.974 4.329 -0.355 17414 35 1 1 . 1 1 11 11 PRO CA C 11 62.348 64.621 -2.273 17414 36 1 1 . 1 1 11 11 PRO CB C 11 30.977 32.153 -1.176 17414 37 1 1 . 1 1 12 12 VAL N N 12 124.105 116.621 7.484 17414 38 1 1 . 1 1 12 12 VAL HA H 12 3.591 3.668 -0.077 17414 39 1 1 . 1 1 12 12 VAL CA C 12 64.849 65.534 -0.685 17414 40 1 1 . 1 1 13 13 THR N N 13 107.133 109.417 -2.284 17414 41 1 1 . 1 1 13 13 THR HA H 13 4.228 4.258 -0.030 17414 42 1 1 . 1 1 13 13 THR CA C 13 60.944 62.825 -1.881 17414 43 1 1 . 1 1 13 13 THR CB C 13 69.447 70.289 -0.842 17414 44 1 1 . 1 1 14 14 GLY N N 14 112.897 111.606 1.291 17414 45 1 1 . 1 1 14 14 GLY CA C 14 45.650 45.600 0.050 17414 46 1 1 . 1 1 15 15 THR N N 15 117.286 116.020 1.266 17414 47 1 1 . 1 1 15 15 THR HA H 15 4.276 4.645 -0.369 17414 48 1 1 . 1 1 15 15 THR CA C 15 61.382 61.040 0.342 17414 49 1 1 . 1 1 15 15 THR CB C 15 70.037 71.312 -1.275 17414 50 1 1 . 1 1 16 16 THR N N 16 120.518 119.032 1.486 17414 51 1 1 . 1 1 16 16 THR HA H 16 4.911 4.483 0.428 17414 52 1 1 . 1 1 16 16 THR CA C 16 62.321 62.700 -0.379 17414 53 1 1 . 1 1 16 16 THR CB C 16 69.184 69.050 0.134 17414 54 1 1 . 1 1 17 17 HIS N N 17 127.011 126.417 0.594 17414 55 1 1 . 1 1 17 17 HIS HA H 17 4.586 5.065 -0.479 17414 56 1 1 . 1 1 17 17 HIS CA C 17 54.406 54.651 -0.245 17414 57 1 1 . 1 1 17 17 HIS CB C 17 35.299 32.307 2.992 17414 58 1 1 . 1 1 18 18 ARG N N 18 120.890 121.612 -0.722 17414 59 1 1 . 1 1 18 18 ARG HA H 18 4.679 4.471 0.208 17414 60 1 1 . 1 1 18 18 ARG CA C 18 54.802 55.383 -0.581 17414 61 1 1 . 1 1 18 18 ARG CB C 18 29.657 31.694 -2.037 17414 62 1 1 . 1 1 19 19 ILE N N 19 125.005 126.642 -1.637 17414 63 1 1 . 1 1 19 19 ILE HA H 19 3.696 3.894 -0.198 17414 64 1 1 . 1 1 19 19 ILE CA C 19 66.021 64.128 1.893 17414 65 1 1 . 1 1 19 19 ILE CB C 19 37.936 37.855 0.081 17414 66 1 1 . 1 1 20 20 GLU N N 20 123.813 119.480 4.333 17414 67 1 1 . 1 1 20 20 GLU HA H 20 2.787 3.448 -0.661 17414 68 1 1 . 1 1 20 20 GLU CA C 20 57.675 58.775 -1.100 17414 69 1 1 . 1 1 20 20 GLU CB C 20 28.945 29.039 -0.094 17414 70 1 1 . 1 1 21 21 ASP N N 21 123.330 120.736 2.594 17414 71 1 1 . 1 1 21 21 ASP HA H 21 4.489 4.316 0.173 17414 72 1 1 . 1 1 21 21 ASP CA C 21 55.734 56.589 -0.855 17414 73 1 1 . 1 1 21 21 ASP CB C 21 40.038 40.661 -0.623 17414 74 1 1 . 1 1 22 22 VAL N N 22 121.407 119.706 1.701 17414 75 1 1 . 1 1 22 22 VAL HA H 22 3.303 3.491 -0.188 17414 76 1 1 . 1 1 22 22 VAL CA C 22 65.768 66.412 -0.644 17414 77 1 1 . 1 1 22 22 VAL CB C 22 31.327 31.517 -0.190 17414 78 1 1 . 1 1 23 23 VAL N N 23 116.800 120.577 -3.777 17414 79 1 1 . 1 1 23 23 VAL HA H 23 3.928 3.694 0.234 17414 80 1 1 . 1 1 23 23 VAL CA C 23 66.310 66.336 -0.026 17414 81 1 1 . 1 1 24 24 GLY N N 24 120.577 108.243 12.334 17414 82 1 1 . 1 1 25 25 GLY N N 25 103.034 108.203 -5.169 17414 83 1 1 . 1 1 25 25 GLY CA C 25 43.755 44.773 -1.018 17414 84 1 1 . 1 1 26 26 ARG N N 26 122.306 115.309 6.997 17414 85 1 1 . 1 1 26 26 ARG HA H 26 1.544 3.026 -1.482 17414 86 1 1 . 1 1 26 26 ARG CA C 26 55.119 56.237 -1.118 17414 87 1 1 . 1 1 26 26 ARG CB C 26 26.620 27.867 -1.247 17414 88 1 1 . 1 1 27 27 LYS N N 27 115.887 119.038 -3.151 17414 89 1 1 . 1 1 27 27 LYS HA H 27 4.168 4.313 -0.145 17414 90 1 1 . 1 1 27 27 LYS CB C 27 33.503 32.343 1.160 17414 91 1 1 . 1 1 28 28 PRO HA H 28 5.145 4.877 0.268 17414 92 1 1 . 1 1 28 28 PRO CA C 28 61.507 62.460 -0.953 17414 93 1 1 . 1 1 28 28 PRO CB C 28 27.787 29.934 -2.147 17414 94 1 1 . 1 1 29 29 ILE N N 29 116.657 117.703 -1.046 17414 95 1 1 . 1 1 29 29 ILE HA H 29 4.443 5.347 -0.904 17414 96 1 1 . 1 1 29 29 ILE CA C 29 60.723 58.850 1.873 17414 97 1 1 . 1 1 29 29 ILE CB C 29 38.563 41.585 -3.022 17414 98 1 1 . 1 1 30 30 HIS N N 30 118.274 118.142 0.132 17414 99 1 1 . 1 1 30 30 HIS HA H 30 5.152 5.432 -0.280 17414 100 1 1 . 1 1 30 30 HIS CA C 30 55.902 54.099 1.803 17414 101 1 1 . 1 1 30 30 HIS CB C 30 30.925 34.406 -3.481 17414 102 1 1 . 1 1 31 31 VAL N N 31 107.262 115.868 -8.606 17414 103 1 1 . 1 1 31 31 VAL HA H 31 5.212 4.822 0.390 17414 104 1 1 . 1 1 31 31 VAL CA C 31 57.692 59.244 -1.552 17414 105 1 1 . 1 1 31 31 VAL CB C 31 34.153 36.360 -2.207 17414 106 1 1 . 1 1 32 32 VAL N N 32 119.900 122.780 -2.880 17414 107 1 1 . 1 1 32 32 VAL HA H 32 4.246 4.567 -0.321 17414 108 1 1 . 1 1 32 32 VAL CA C 32 62.504 61.944 0.560 17414 109 1 1 . 1 1 33 33 ALA N N 33 128.967 129.873 -0.906 17414 110 1 1 . 1 1 33 33 ALA HA H 33 4.522 5.330 -0.808 17414 111 1 1 . 1 1 33 33 ALA CA C 33 49.594 50.148 -0.554 17414 112 1 1 . 1 1 33 33 ALA CB C 33 23.635 22.894 0.741 17414 113 1 1 . 1 1 34 34 ALA N N 34 121.236 121.042 0.194 17414 114 1 1 . 1 1 34 34 ALA HA H 34 5.207 5.372 -0.165 17414 115 1 1 . 1 1 34 34 ALA CA C 34 49.704 50.628 -0.924 17414 116 1 1 . 1 1 35 35 ALA N N 35 125.943 122.823 3.120 17414 117 1 1 . 1 1 35 35 ALA HA H 35 4.633 4.752 -0.119 17414 118 1 1 . 1 1 35 35 ALA CA C 35 50.168 49.911 0.257 17414 119 1 1 . 1 1 35 35 ALA CB C 35 20.121 21.507 -1.386 17414 120 1 1 . 1 1 36 36 LYS N N 36 121.159 117.355 3.804 17414 121 1 1 . 1 1 36 36 LYS HA H 36 4.272 4.157 0.115 17414 122 1 1 . 1 1 36 36 LYS CA C 36 58.723 58.539 0.184 17414 123 1 1 . 1 1 37 37 ASP N N 37 115.815 117.443 -1.628 17414 124 1 1 . 1 1 37 37 ASP HA H 37 4.526 4.720 -0.194 17414 125 1 1 . 1 1 37 37 ASP CA C 37 52.534 54.094 -1.560 17414 126 1 1 . 1 1 37 37 ASP CB C 37 39.654 41.472 -1.818 17414 127 1 1 . 1 1 38 38 GLY N N 38 107.649 107.906 -0.257 17414 128 1 1 . 1 1 38 38 GLY CA C 38 45.025 45.939 -0.914 17414 129 1 1 . 1 1 39 39 THR N N 39 110.428 112.676 -2.248 17414 130 1 1 . 1 1 39 39 THR HA H 39 4.265 4.477 -0.212 17414 131 1 1 . 1 1 39 39 THR CA C 39 60.883 60.208 0.675 17414 132 1 1 . 1 1 39 39 THR CB C 39 70.144 70.433 -0.289 17414 133 1 1 . 1 1 40 40 LEU N N 40 120.829 125.691 -4.862 17414 134 1 1 . 1 1 40 40 LEU HA H 40 5.312 5.105 0.207 17414 135 1 1 . 1 1 40 40 LEU CA C 40 53.146 54.255 -1.109 17414 136 1 1 . 1 1 40 40 LEU CB C 40 41.870 43.011 -1.141 17414 137 1 1 . 1 1 41 41 HIS N N 41 120.175 120.754 -0.579 17414 138 1 1 . 1 1 41 41 HIS HA H 41 4.622 4.989 -0.367 17414 139 1 1 . 1 1 41 41 HIS CA C 41 54.675 54.839 -0.164 17414 140 1 1 . 1 1 41 41 HIS CB C 41 35.374 33.581 1.793 17414 141 1 1 . 1 1 42 42 ALA N N 42 125.084 126.003 -0.919 17414 142 1 1 . 1 1 42 42 ALA HA H 42 5.530 4.569 0.961 17414 143 1 1 . 1 1 42 42 ALA CA C 42 50.934 52.458 -1.524 17414 144 1 1 . 1 1 42 42 ALA CB C 42 18.920 19.566 -0.646 17414 145 1 1 . 1 1 43 43 ARG N N 43 124.440 121.744 2.696 17414 146 1 1 . 1 1 43 43 ARG HA H 43 5.177 4.888 0.289 17414 147 1 1 . 1 1 43 43 ARG CA C 43 50.736 52.730 -1.994 17414 148 1 1 . 1 1 43 43 ARG CB C 43 35.105 32.813 2.292 17414 149 1 1 . 1 1 44 44 PRO HA H 44 4.506 4.141 0.365 17414 150 1 1 . 1 1 44 44 PRO CA C 44 61.661 62.092 -0.431 17414 151 1 1 . 1 1 44 44 PRO CB C 44 32.437 32.132 0.305 17414 152 1 1 . 1 1 45 45 VAL N N 45 119.113 120.294 -1.181 17414 153 1 1 . 1 1 45 45 VAL HA H 45 4.195 4.260 -0.065 17414 154 1 1 . 1 1 45 45 VAL CA C 45 61.770 61.493 0.277 17414 155 1 1 . 1 1 45 45 VAL CB C 45 32.099 33.098 -0.999 17414 156 1 1 . 1 1 46 46 VAL N N 46 114.811 119.455 -4.644 17414 157 1 1 . 1 1 46 46 VAL HA H 46 4.117 4.354 -0.237 17414 158 1 1 . 1 1 46 46 VAL CA C 46 59.689 60.736 -1.047 17414 159 1 1 . 1 1 46 46 VAL CB C 46 33.207 33.261 -0.054 17414 160 1 1 . 1 1 47 47 SER N N 47 113.271 114.566 -1.295 17414 161 1 1 . 1 1 47 47 SER HA H 47 3.992 3.922 0.070 17414 162 1 1 . 1 1 47 47 SER CA C 47 56.916 56.714 0.202 17414 163 1 1 . 1 1 47 47 SER CB C 47 65.285 66.390 -1.105 17414 164 1 1 . 1 1 48 48 TRP N N 48 120.998 122.755 -1.757 17414 165 1 1 . 1 1 48 48 TRP HA H 48 4.518 4.972 -0.454 17414 166 1 1 . 1 1 48 48 TRP CA C 48 58.275 55.986 2.289 17414 167 1 1 . 1 1 48 48 TRP CB C 48 32.474 33.140 -0.666 17414 168 1 1 . 1 1 49 49 PHE N N 49 120.098 121.702 -1.604 17414 169 1 1 . 1 1 49 49 PHE HA H 49 5.159 5.238 -0.079 17414 170 1 1 . 1 1 49 49 PHE CA C 49 55.741 56.108 -0.367 17414 171 1 1 . 1 1 49 49 PHE CB C 49 40.992 43.641 -2.649 17414 172 1 1 . 1 1 50 50 ASP N N 50 127.259 123.582 3.677 17414 173 1 1 . 1 1 50 50 ASP HA H 50 4.829 5.830 -1.001 17414 174 1 1 . 1 1 50 50 ASP CA C 50 53.464 52.817 0.647 17414 175 1 1 . 1 1 50 50 ASP CB C 50 40.713 44.677 -3.964 17414 176 1 1 . 1 1 51 51 GLN N N 51 123.758 123.256 0.502 17414 177 1 1 . 1 1 51 51 GLN HA H 51 4.902 4.424 0.478 17414 178 1 1 . 1 1 51 51 GLN CA C 51 55.613 55.948 -0.335 17414 179 1 1 . 1 1 52 52 GLY N N 52 108.682 106.170 2.512 17414 180 1 1 . 1 1 52 52 GLY CA C 52 44.063 46.073 -2.010 17414 181 1 1 . 1 1 53 53 THR N N 53 118.925 116.705 2.220 17414 182 1 1 . 1 1 53 53 THR HA H 53 4.734 5.110 -0.376 17414 183 1 1 . 1 1 53 53 THR CA C 53 62.734 62.370 0.364 17414 184 1 1 . 1 1 53 53 THR CB C 53 67.881 70.224 -2.343 17414 185 1 1 . 1 1 54 54 ARG N N 54 125.981 123.542 2.439 17414 186 1 1 . 1 1 54 54 ARG HA H 54 4.677 4.903 -0.226 17414 187 1 1 . 1 1 54 54 ARG CA C 54 53.580 54.013 -0.433 17414 188 1 1 . 1 1 54 54 ARG CB C 54 35.619 34.464 1.155 17414 189 1 1 . 1 1 55 55 ASP N N 55 119.621 120.827 -1.206 17414 190 1 1 . 1 1 55 55 ASP HA H 55 4.973 4.948 0.025 17414 191 1 1 . 1 1 55 55 ASP CA C 55 54.236 54.599 -0.363 17414 192 1 1 . 1 1 55 55 ASP CB C 55 40.704 40.870 -0.166 17414 193 1 1 . 1 1 56 56 VAL N N 56 114.565 118.294 -3.729 17414 194 1 1 . 1 1 56 56 VAL HA H 56 4.804 4.952 -0.148 17414 195 1 1 . 1 1 56 56 VAL CA C 56 58.672 59.372 -0.700 17414 196 1 1 . 1 1 56 56 VAL CB C 56 34.813 35.980 -1.167 17414 197 1 1 . 1 1 57 57 ILE N N 57 114.855 122.483 -7.628 17414 198 1 1 . 1 1 57 57 ILE HA H 57 4.740 4.981 -0.241 17414 199 1 1 . 1 1 57 57 ILE CA C 57 58.799 59.591 -0.792 17414 200 1 1 . 1 1 57 57 ILE CB C 57 41.197 39.659 1.538 17414 201 1 1 . 1 1 58 58 GLY N N 58 107.378 109.415 -2.037 17414 202 1 1 . 1 1 58 58 GLY CA C 58 43.036 43.294 -0.258 17414 203 1 1 . 1 1 59 59 LEU N N 59 124.061 124.623 -0.562 17414 204 1 1 . 1 1 59 59 LEU HA H 59 4.677 4.726 -0.049 17414 205 1 1 . 1 1 59 59 LEU CA C 59 52.282 53.741 -1.459 17414 206 1 1 . 1 1 59 59 LEU CB C 59 42.668 43.811 -1.143 17414 207 1 1 . 1 1 60 60 ARG N N 60 124.178 125.385 -1.207 17414 208 1 1 . 1 1 60 60 ARG HA H 60 4.799 4.596 0.203 17414 209 1 1 . 1 1 61 61 ILE N N 61 128.222 127.923 0.299 17414 210 1 1 . 1 1 61 61 ILE HA H 61 4.492 4.441 0.051 17414 211 1 1 . 1 1 61 61 ILE CA C 61 58.741 60.161 -1.420 17414 212 1 1 . 1 1 61 61 ILE CB C 61 37.622 38.263 -0.641 17414 213 1 1 . 1 1 62 62 ALA N N 62 128.005 131.893 -3.888 17414 214 1 1 . 1 1 62 62 ALA HA H 62 4.108 4.001 0.107 17414 215 1 1 . 1 1 62 62 ALA CA C 62 54.129 53.374 0.755 17414 216 1 1 . 1 1 62 62 ALA CB C 62 18.002 17.939 0.063 17414 217 1 1 . 1 1 63 63 GLY CA C 63 44.912 45.473 -0.561 17414 218 1 1 . 1 1 64 64 GLY N N 64 107.906 108.295 -0.389 17414 219 1 1 . 1 1 64 64 GLY CA C 64 44.751 46.405 -1.654 17414 220 1 1 . 1 1 65 65 ALA N N 65 125.759 123.170 2.589 17414 221 1 1 . 1 1 65 65 ALA HA H 65 4.394 4.771 -0.377 17414 222 1 1 . 1 1 65 65 ALA CA C 65 51.764 51.000 0.764 17414 223 1 1 . 1 1 65 65 ALA CB C 65 19.458 21.729 -2.271 17414 224 1 1 . 1 1 66 66 ILE N N 66 118.136 118.756 -0.620 17414 225 1 1 . 1 1 66 66 ILE HA H 66 4.705 5.023 -0.318 17414 226 1 1 . 1 1 66 66 ILE CA C 66 59.670 59.670 0.000 17414 227 1 1 . 1 1 66 66 ILE CB C 66 40.415 41.736 -1.321 17414 228 1 1 . 1 1 67 67 LEU N N 67 127.715 126.793 0.922 17414 229 1 1 . 1 1 67 67 LEU HA H 67 4.728 5.090 -0.362 17414 230 1 1 . 1 1 67 67 LEU CA C 67 53.331 52.942 0.389 17414 231 1 1 . 1 1 67 67 LEU CB C 67 44.102 45.093 -0.991 17414 232 1 1 . 1 1 68 68 TRP N N 68 129.332 128.679 0.653 17414 233 1 1 . 1 1 68 68 TRP HA H 68 5.672 5.515 0.157 17414 234 1 1 . 1 1 68 68 TRP CA C 68 54.812 55.835 -1.023 17414 235 1 1 . 1 1 68 68 TRP CB C 68 29.742 30.602 -0.860 17414 236 1 1 . 1 1 69 69 ALA N N 69 124.233 125.285 -1.052 17414 237 1 1 . 1 1 69 69 ALA HA H 69 5.243 5.028 0.215 17414 238 1 1 . 1 1 69 69 ALA CA C 69 49.203 50.906 -1.703 17414 239 1 1 . 1 1 69 69 ALA CB C 69 22.138 23.675 -1.537 17414 240 1 1 . 1 1 70 70 THR N N 70 111.459 110.973 0.486 17414 241 1 1 . 1 1 70 70 THR HA H 70 5.152 4.858 0.294 17414 242 1 1 . 1 1 70 70 THR CA C 70 60.495 60.321 0.174 17414 243 1 1 . 1 1 70 70 THR CB C 70 67.570 68.950 -1.380 17414 244 1 1 . 1 1 71 71 PRO HA H 71 4.165 4.447 -0.282 17414 245 1 1 . 1 1 71 71 PRO CA C 71 64.390 65.171 -0.781 17414 246 1 1 . 1 1 72 72 ASP N N 72 112.234 117.596 -5.362 17414 247 1 1 . 1 1 72 72 ASP HA H 72 4.505 4.638 -0.133 17414 248 1 1 . 1 1 72 72 ASP CA C 72 52.827 54.952 -2.125 17414 249 1 1 . 1 1 73 73 HIS N N 73 125.389 120.907 4.482 17414 250 1 1 . 1 1 73 73 HIS HA H 73 3.796 4.515 -0.719 17414 251 1 1 . 1 1 73 73 HIS CA C 73 58.310 57.101 1.209 17414 252 1 1 . 1 1 73 73 HIS CB C 73 32.385 30.567 1.818 17414 253 1 1 . 1 1 74 74 LYS N N 74 127.412 125.874 1.538 17414 254 1 1 . 1 1 74 74 LYS HA H 74 4.661 4.653 0.008 17414 255 1 1 . 1 1 74 74 LYS CA C 74 56.845 56.184 0.661 17414 256 1 1 . 1 1 75 75 VAL N N 75 125.726 124.861 0.865 17414 257 1 1 . 1 1 75 75 VAL HA H 75 4.754 4.874 -0.120 17414 258 1 1 . 1 1 75 75 VAL CA C 75 60.739 61.165 -0.426 17414 259 1 1 . 1 1 75 75 VAL CB C 75 35.276 34.615 0.661 17414 260 1 1 . 1 1 76 76 LEU N N 76 129.759 129.695 0.064 17414 261 1 1 . 1 1 76 76 LEU HA H 76 3.514 4.322 -0.808 17414 262 1 1 . 1 1 76 76 LEU CA C 76 55.222 54.185 1.037 17414 263 1 1 . 1 1 76 76 LEU CB C 76 39.052 42.228 -3.176 17414 264 1 1 . 1 1 77 77 THR N N 77 116.138 117.125 -0.987 17414 265 1 1 . 1 1 77 77 THR HA H 77 5.295 4.875 0.420 17414 266 1 1 . 1 1 77 77 THR CA C 77 59.543 60.088 -0.545 17414 267 1 1 . 1 1 78 78 GLU N N 78 119.986 120.337 -0.351 17414 268 1 1 . 1 1 78 78 GLU HA H 78 3.558 3.717 -0.159 17414 269 1 1 . 1 1 78 78 GLU CA C 78 57.551 58.811 -1.260 17414 270 1 1 . 1 1 78 78 GLU CB C 78 28.385 28.650 -0.265 17414 271 1 1 . 1 1 79 79 TYR N N 79 117.251 115.508 1.743 17414 272 1 1 . 1 1 79 79 TYR HA H 79 4.749 4.554 0.195 17414 273 1 1 . 1 1 79 79 TYR CA C 79 55.553 57.997 -2.444 17414 274 1 1 . 1 1 79 79 TYR CB C 79 37.935 38.887 -0.952 17414 275 1 1 . 1 1 80 80 GLY N N 80 106.884 107.381 -0.497 17414 276 1 1 . 1 1 80 80 GLY CA C 80 42.757 44.323 -1.566 17414 277 1 1 . 1 1 81 81 TRP N N 81 125.593 122.186 3.407 17414 278 1 1 . 1 1 81 81 TRP HA H 81 4.884 4.837 0.047 17414 279 1 1 . 1 1 81 81 TRP CA C 81 57.790 58.675 -0.885 17414 280 1 1 . 1 1 81 81 TRP CB C 81 29.255 30.476 -1.221 17414 281 1 1 . 1 1 82 82 ARG N N 82 124.625 122.588 2.037 17414 282 1 1 . 1 1 82 82 ARG HA H 82 4.773 4.946 -0.173 17414 283 1 1 . 1 1 82 82 ARG CA C 82 53.895 53.975 -0.080 17414 284 1 1 . 1 1 83 83 ALA N N 83 125.891 126.271 -0.380 17414 285 1 1 . 1 1 83 83 ALA HA H 83 4.293 4.383 -0.090 17414 286 1 1 . 1 1 83 83 ALA CA C 83 51.686 52.622 -0.936 17414 287 1 1 . 1 1 84 84 ALA N N 84 125.790 126.140 -0.350 17414 288 1 1 . 1 1 84 84 ALA HA H 84 3.930 4.046 -0.116 17414 289 1 1 . 1 1 84 84 ALA CB C 84 17.269 18.549 -1.280 17414 290 1 1 . 1 1 85 85 GLY N N 85 102.306 105.585 -3.279 17414 291 1 1 . 1 1 86 86 GLU N N 86 117.564 118.109 -0.545 17414 292 1 1 . 1 1 86 86 GLU HA H 86 4.414 4.421 -0.007 17414 293 1 1 . 1 1 86 86 GLU CA C 86 55.233 56.250 -1.017 17414 294 1 1 . 1 1 86 86 GLU CB C 86 30.231 30.400 -0.169 17414 295 1 1 . 1 1 87 87 LEU N N 87 119.746 122.353 -2.607 17414 296 1 1 . 1 1 87 87 LEU HA H 87 4.417 4.308 0.109 17414 297 1 1 . 1 1 87 87 LEU CA C 87 54.274 54.700 -0.426 17414 298 1 1 . 1 1 87 87 LEU CB C 87 41.471 41.881 -0.410 17414 299 1 1 . 1 1 88 88 ARG N N 88 120.899 123.755 -2.856 17414 300 1 1 . 1 1 88 88 ARG HA H 88 4.627 4.929 -0.302 17414 301 1 1 . 1 1 88 88 ARG CA C 88 52.594 53.903 -1.309 17414 302 1 1 . 1 1 89 89 LYS N N 89 119.795 124.070 -4.275 17414 303 1 1 . 1 1 89 89 LYS HA H 89 3.669 4.011 -0.342 17414 304 1 1 . 1 1 89 89 LYS CA C 89 57.770 57.979 -0.209 17414 305 1 1 . 1 1 90 90 GLY N N 90 115.070 112.659 2.411 17414 306 1 1 . 1 1 90 90 GLY CA C 90 44.499 45.350 -0.851 17414 307 1 1 . 1 1 91 91 ASP N N 91 121.652 122.103 -0.451 17414 308 1 1 . 1 1 91 91 ASP HA H 91 4.716 4.842 -0.126 17414 309 1 1 . 1 1 91 91 ASP CA C 91 55.866 53.820 2.046 17414 310 1 1 . 1 1 92 92 ARG N N 92 117.826 125.821 -7.995 17414 311 1 1 . 1 1 92 92 ARG HA H 92 5.241 5.043 0.198 17414 312 1 1 . 1 1 92 92 ARG CA C 92 54.976 55.727 -0.751 17414 313 1 1 . 1 1 92 92 ARG CB C 92 31.655 31.607 0.048 17414 314 1 1 . 1 1 93 93 VAL N N 93 115.034 118.365 -3.331 17414 315 1 1 . 1 1 93 93 VAL HA H 93 4.839 4.933 -0.094 17414 316 1 1 . 1 1 93 93 VAL CA C 93 58.222 59.075 -0.853 17414 317 1 1 . 1 1 94 94 ALA N N 94 126.192 124.673 1.519 17414 318 1 1 . 1 1 94 94 ALA HA H 94 4.271 3.663 0.608 17414 319 1 1 . 1 1 94 94 ALA CA C 94 50.975 51.698 -0.723 17414 320 1 1 . 1 1 94 94 ALA CB C 94 18.748 18.762 -0.014 17414 321 1 1 . 1 1 95 95 VAL N N 95 115.179 116.385 -1.206 17414 322 1 1 . 1 1 95 95 VAL HA H 95 5.317 4.914 0.403 17414 323 1 1 . 1 1 95 95 VAL CA C 95 57.154 58.791 -1.637 17414 324 1 1 . 1 1 95 95 VAL CB C 95 35.186 35.530 -0.344 17414 325 1 1 . 1 1 96 96 ARG N N 96 119.288 122.379 -3.091 17414 326 1 1 . 1 1 96 96 ARG HA H 96 4.230 4.860 -0.630 17414 327 1 1 . 1 1 96 96 ARG CA C 96 53.613 54.493 -0.880 17414 328 1 1 . 1 1 96 96 ARG CB C 96 31.697 32.582 -0.885 17414 329 1 1 . 1 1 97 97 ASP N N 97 131.180 125.926 5.254 17414 330 1 1 . 1 1 97 97 ASP HA H 97 4.415 4.790 -0.375 17414 331 1 1 . 1 1 97 97 ASP CA C 97 53.887 52.959 0.928 17414 332 1 1 . 1 1 97 97 ASP CB C 97 42.723 42.152 0.571 17414 333 1 1 . 1 1 98 98 VAL N N 98 126.152 123.127 3.025 17414 334 1 1 . 1 1 98 98 VAL HA H 98 3.489 3.826 -0.337 17414 335 1 1 . 1 1 98 98 VAL CA C 98 64.431 64.786 -0.355 17414 336 1 1 . 1 1 98 98 VAL CB C 98 31.047 31.355 -0.308 17414 337 1 1 . 1 1 99 99 GLU N N 99 118.883 121.949 -3.066 17414 338 1 1 . 1 1 99 99 GLU HA H 99 4.127 4.060 0.067 17414 339 1 1 . 1 1 99 99 GLU CA C 99 58.178 58.973 -0.795 17414 340 1 1 . 1 1 99 99 GLU CB C 99 29.591 30.004 -0.413 17414 341 1 1 . 1 1 100 100 THR N N 100 106.301 107.832 -1.531 17414 342 1 1 . 1 1 100 100 THR HA H 100 4.316 4.392 -0.076 17414 343 1 1 . 1 1 100 100 THR CA C 100 61.407 62.166 -0.759 17414 344 1 1 . 1 1 100 100 THR CB C 100 70.856 70.571 0.285 17414 345 1 1 . 1 1 101 101 GLY N N 101 111.204 111.897 -0.693 17414 346 1 1 . 1 1 101 101 GLY CA C 101 45.284 45.506 -0.222 17414 347 1 1 . 1 1 102 102 GLU N N 102 118.458 120.617 -2.159 17414 348 1 1 . 1 1 102 102 GLU HA H 102 4.301 4.404 -0.103 17414 349 1 1 . 1 1 102 102 GLU CA C 102 55.160 55.944 -0.784 17414 350 1 1 . 1 1 102 102 GLU CB C 102 31.769 31.005 0.764 17414 351 1 1 . 1 1 103 103 LEU N N 103 121.701 120.457 1.244 17414 352 1 1 . 1 1 103 103 LEU HA H 103 4.716 4.663 0.053 17414 353 1 1 . 1 1 103 103 LEU CA C 103 54.930 54.060 0.870 17414 354 1 1 . 1 1 103 103 LEU CB C 103 42.346 42.934 -0.588 17414 355 1 1 . 1 1 104 104 ARG N N 104 127.157 119.643 7.514 17414 356 1 1 . 1 1 104 104 ARG HA H 104 4.403 4.905 -0.502 17414 357 1 1 . 1 1 104 104 ARG CA C 104 53.201 53.760 -0.559 17414 358 1 1 . 1 1 104 104 ARG CB C 104 32.989 34.448 -1.459 17414 359 1 1 . 1 1 105 105 TYR N N 105 116.202 117.489 -1.287 17414 360 1 1 . 1 1 105 105 TYR HA H 105 5.490 5.546 -0.056 17414 361 1 1 . 1 1 105 105 TYR CA C 105 56.831 56.631 0.200 17414 362 1 1 . 1 1 105 105 TYR CB C 105 40.116 42.539 -2.423 17414 363 1 1 . 1 1 106 106 SER N N 106 118.250 115.622 2.628 17414 364 1 1 . 1 1 106 106 SER HA H 106 4.807 5.071 -0.264 17414 365 1 1 . 1 1 106 106 SER CA C 106 55.888 57.532 -1.644 17414 366 1 1 . 1 1 106 106 SER CB C 106 66.301 66.837 -0.536 17414 367 1 1 . 1 1 107 107 VAL N N 107 122.160 121.890 0.270 17414 368 1 1 . 1 1 107 107 VAL HA H 107 4.423 4.580 -0.157 17414 369 1 1 . 1 1 107 107 VAL CA C 107 61.369 61.237 0.132 17414 370 1 1 . 1 1 107 107 VAL CB C 107 33.633 33.015 0.618 17414 371 1 1 . 1 1 108 108 ILE N N 108 123.427 125.562 -2.135 17414 372 1 1 . 1 1 108 108 ILE HA H 108 4.100 4.187 -0.087 17414 373 1 1 . 1 1 108 108 ILE CA C 108 61.321 61.642 -0.321 17414 374 1 1 . 1 1 108 108 ILE CB C 108 37.408 37.285 0.123 17414 375 1 1 . 1 1 109 109 ARG N N 109 130.207 129.475 0.732 17414 376 1 1 . 1 1 109 109 ARG HA H 109 4.254 4.220 0.034 17414 377 1 1 . 1 1 109 109 ARG CA C 109 55.904 58.057 -2.153 17414 378 1 1 . 1 1 110 110 GLU N N 110 116.804 117.844 -1.040 17414 379 1 1 . 1 1 110 110 GLU HA H 110 4.274 4.644 -0.370 17414 380 1 1 . 1 1 110 110 GLU CA C 110 55.889 56.099 -0.210 17414 381 1 1 . 1 1 110 110 GLU CB C 110 33.186 33.575 -0.389 17414 382 1 1 . 1 1 111 111 VAL N N 111 125.709 120.306 5.403 17414 383 1 1 . 1 1 111 111 VAL HA H 111 4.709 4.641 0.068 17414 384 1 1 . 1 1 111 111 VAL CA C 111 60.903 61.144 -0.241 17414 385 1 1 . 1 1 111 111 VAL CB C 111 31.927 33.228 -1.301 17414 386 1 1 . 1 1 112 112 LEU N N 112 132.638 126.885 5.753 17414 387 1 1 . 1 1 112 112 LEU HA H 112 4.741 4.844 -0.103 17414 388 1 1 . 1 1 112 112 LEU CA C 112 52.655 51.391 1.264 17414 389 1 1 . 1 1 112 112 LEU CB C 112 40.998 42.285 -1.287 17414 390 1 1 . 1 1 113 113 PRO HA H 113 4.532 4.561 -0.029 17414 391 1 1 . 1 1 113 113 PRO CA C 113 61.916 62.706 -0.790 17414 392 1 1 . 1 1 113 113 PRO CB C 113 32.608 32.240 0.368 17414 393 1 1 . 1 1 114 114 THR N N 114 112.542 112.577 -0.035 17414 394 1 1 . 1 1 114 114 THR HA H 114 4.973 4.619 0.354 17414 395 1 1 . 1 1 114 114 THR CA C 114 61.865 61.535 0.330 17414 396 1 1 . 1 1 114 114 THR CB C 114 69.345 70.174 -0.829 17414 397 1 1 . 1 1 115 115 ARG N N 115 123.213 120.388 2.825 17414 398 1 1 . 1 1 115 115 ARG HA H 115 4.694 5.019 -0.325 17414 399 1 1 . 1 1 115 115 ARG CA C 115 54.302 54.409 -0.107 17414 400 1 1 . 1 1 115 115 ARG CB C 115 32.684 33.880 -1.196 17414 401 1 1 . 1 1 116 116 ARG N N 116 119.004 122.753 -3.749 17414 402 1 1 . 1 1 116 116 ARG HA H 116 4.879 4.679 0.200 17414 403 1 1 . 1 1 116 116 ARG CA C 116 54.554 56.537 -1.983 17414 404 1 1 . 1 1 116 116 ARG CB C 116 30.285 30.660 -0.375 17414 405 1 1 . 1 1 117 117 ALA N N 117 124.834 124.211 0.623 17414 406 1 1 . 1 1 117 117 ALA HA H 117 4.599 4.735 -0.136 17414 407 1 1 . 1 1 117 117 ALA CA C 117 50.434 51.013 -0.579 17414 408 1 1 . 1 1 117 117 ALA CB C 117 23.139 23.013 0.126 17414 409 1 1 . 1 1 118 118 ARG N N 118 120.885 120.540 0.345 17414 410 1 1 . 1 1 118 118 ARG HA H 118 3.925 4.611 -0.686 17414 411 1 1 . 1 1 118 118 ARG CA C 118 57.559 55.797 1.762 17414 412 1 1 . 1 1 118 118 ARG CB C 118 30.409 31.054 -0.645 17414 413 1 1 . 1 1 119 119 THR N N 119 111.492 114.041 -2.549 17414 414 1 1 . 1 1 119 119 THR HA H 119 5.309 5.240 0.069 17414 415 1 1 . 1 1 119 119 THR CA C 119 60.071 59.412 0.659 17414 416 1 1 . 1 1 119 119 THR CB C 119 72.737 71.512 1.225 17414 417 1 1 . 1 1 120 120 PHE N N 120 113.949 119.918 -5.969 17414 418 1 1 . 1 1 120 120 PHE HA H 120 5.311 5.342 -0.031 17414 419 1 1 . 1 1 120 120 PHE CA C 120 57.898 56.205 1.693 17414 420 1 1 . 1 1 120 120 PHE CB C 120 46.203 43.602 2.601 17414 421 1 1 . 1 1 121 121 ASP N N 121 118.841 119.032 -0.191 17414 422 1 1 . 1 1 121 121 ASP HA H 121 5.352 5.327 0.025 17414 423 1 1 . 1 1 121 121 ASP CA C 121 55.227 53.679 1.548 17414 424 1 1 . 1 1 121 121 ASP CB C 121 47.673 45.362 2.311 17414 425 1 1 . 1 1 122 122 LEU N N 122 118.637 122.229 -3.592 17414 426 1 1 . 1 1 122 122 LEU HA H 122 4.809 5.061 -0.252 17414 427 1 1 . 1 1 122 122 LEU CB C 122 45.915 46.326 -0.411 17414 428 1 1 . 1 1 123 123 GLU N N 123 118.694 121.827 -3.133 17414 429 1 1 . 1 1 123 123 GLU HA H 123 4.515 4.899 -0.384 17414 430 1 1 . 1 1 123 123 GLU CA C 123 54.697 55.150 -0.453 17414 431 1 1 . 1 1 124 124 VAL N N 124 129.259 127.697 1.562 17414 432 1 1 . 1 1 124 124 VAL HA H 124 4.065 4.041 0.024 17414 433 1 1 . 1 1 124 124 VAL CA C 124 61.193 62.544 -1.351 17414 434 1 1 . 1 1 124 124 VAL CB C 124 33.607 31.069 2.538 17414 435 1 1 . 1 1 125 125 GLU N N 125 128.432 128.836 -0.404 17414 436 1 1 . 1 1 125 125 GLU HA H 125 3.672 4.024 -0.352 17414 437 1 1 . 1 1 125 125 GLU CA C 125 58.494 60.286 -1.792 17414 438 1 1 . 1 1 125 125 GLU CB C 125 30.552 29.381 1.171 17414 439 1 1 . 1 1 126 126 GLU N N 126 120.993 120.599 0.394 17414 440 1 1 . 1 1 126 126 GLU HA H 126 3.570 4.357 -0.787 17414 441 1 1 . 1 1 126 126 GLU CA C 126 61.229 57.339 3.890 17414 442 1 1 . 1 1 126 126 GLU CB C 126 29.621 31.890 -2.269 17414 443 1 1 . 1 1 127 127 LEU N N 127 120.945 119.507 1.438 17414 444 1 1 . 1 1 127 127 LEU HA H 127 4.205 4.407 -0.202 17414 445 1 1 . 1 1 127 127 LEU CA C 127 55.681 53.924 1.757 17414 446 1 1 . 1 1 128 128 HIS HA H 128 4.584 4.452 0.132 17414 447 1 1 . 1 1 128 128 HIS CA C 128 54.566 57.168 -2.602 17414 448 1 1 . 1 1 128 128 HIS CB C 128 26.062 29.750 -3.688 17414 449 1 1 . 1 1 129 129 THR N N 129 105.639 115.010 -9.371 17414 450 1 1 . 1 1 129 129 THR HA H 129 4.899 4.969 -0.070 17414 451 1 1 . 1 1 129 129 THR CA C 129 58.380 61.292 -2.912 17414 452 1 1 . 1 1 129 129 THR CB C 129 72.980 70.999 1.981 17414 453 1 1 . 1 1 130 130 LEU N N 130 111.598 120.722 -9.124 17414 454 1 1 . 1 1 130 130 LEU HA H 130 5.537 5.290 0.247 17414 455 1 1 . 1 1 130 130 LEU CA C 130 54.683 53.780 0.903 17414 456 1 1 . 1 1 130 130 LEU CB C 130 44.277 45.202 -0.925 17414 457 1 1 . 1 1 131 131 VAL N N 131 119.670 120.940 -1.270 17414 458 1 1 . 1 1 131 131 VAL HA H 131 4.830 4.735 0.095 17414 459 1 1 . 1 1 131 131 VAL CA C 131 61.285 60.917 0.368 17414 460 1 1 . 1 1 131 131 VAL CB C 131 30.272 33.187 -2.915 17414 461 1 1 . 1 1 132 132 ALA N N 132 134.824 129.530 5.294 17414 462 1 1 . 1 1 132 132 ALA HA H 132 4.931 4.865 0.066 17414 463 1 1 . 1 1 132 132 ALA CA C 132 49.999 50.665 -0.666 17414 464 1 1 . 1 1 132 132 ALA CB C 132 21.422 21.497 -0.075 17414 465 1 1 . 1 1 133 133 GLU N N 133 118.979 124.860 -5.881 17414 466 1 1 . 1 1 133 133 GLU HA H 133 3.826 4.068 -0.242 17414 467 1 1 . 1 1 133 133 GLU CA C 133 57.065 57.734 -0.669 17414 468 1 1 . 1 1 133 133 GLU CB C 133 26.406 28.311 -1.905 17414 469 1 1 . 1 1 134 134 GLY N N 134 100.017 104.316 -4.299 17414 470 1 1 . 1 1 134 134 GLY CA C 134 45.352 45.448 -0.096 17414 471 1 1 . 1 1 135 135 VAL N N 135 122.381 121.665 0.716 17414 472 1 1 . 1 1 135 135 VAL HA H 135 4.560 4.230 0.330 17414 473 1 1 . 1 1 135 135 VAL CA C 135 60.885 62.030 -1.145 17414 474 1 1 . 1 1 135 135 VAL CB C 135 32.542 32.782 -0.240 17414 475 1 1 . 1 1 136 136 VAL N N 136 126.302 126.431 -0.129 17414 476 1 1 . 1 1 136 136 VAL HA H 136 4.254 4.683 -0.429 17414 477 1 1 . 1 1 136 136 VAL CA C 136 63.608 61.603 2.005 17414 478 1 1 . 1 1 136 136 VAL CB C 136 30.519 32.769 -2.250 17414 479 1 1 . 1 1 137 137 VAL N N 137 118.757 120.593 -1.836 17414 480 1 1 . 1 1 137 137 VAL HA H 137 5.743 5.164 0.579 17414 481 1 1 . 1 1 137 137 VAL CA C 137 58.252 59.791 -1.539 17414 482 1 1 . 1 1 137 137 VAL CB C 137 36.378 36.020 0.358 17414 483 1 1 . 1 1 138 138 HIS N N 138 120.902 123.809 -2.907 17414 484 1 1 . 1 1 138 138 HIS HA H 138 4.434 4.246 0.188 17414 485 1 1 . 1 1 138 138 HIS CA C 138 56.439 57.533 -1.094 17414 486 1 1 . 1 1 138 138 HIS CB C 138 30.583 30.154 0.429 17414 487 1 2 . 1 1 2 2 LEU N N 2 122.945 121.431 1.514 17414 488 1 2 . 1 1 2 2 LEU HA H 2 5.005 5.172 -0.167 17414 489 1 2 . 1 1 2 2 LEU CA C 2 53.355 53.537 -0.182 17414 490 1 2 . 1 1 2 2 LEU CB C 2 43.858 45.066 -1.208 17414 491 1 2 . 1 1 3 3 ALA N N 3 121.232 127.072 -5.840 17414 492 1 2 . 1 1 3 3 ALA HA H 3 4.730 4.737 -0.007 17414 493 1 2 . 1 1 3 3 ALA CA C 3 52.302 51.228 1.074 17414 494 1 2 . 1 1 3 3 ALA CB C 3 21.769 20.286 1.483 17414 495 1 2 . 1 1 4 4 GLU N N 4 121.283 121.887 -0.604 17414 496 1 2 . 1 1 4 4 GLU HA H 4 4.074 4.065 0.009 17414 497 1 2 . 1 1 4 4 GLU CA C 4 57.136 58.499 -1.363 17414 498 1 2 . 1 1 4 4 GLU CB C 4 31.847 29.505 2.342 17414 499 1 2 . 1 1 5 5 GLY N N 5 119.858 115.105 4.753 17414 500 1 2 . 1 1 5 5 GLY CA C 5 44.157 45.165 -1.008 17414 501 1 2 . 1 1 6 6 THR N N 6 117.099 116.688 0.411 17414 502 1 2 . 1 1 6 6 THR HA H 6 4.301 4.227 0.074 17414 503 1 2 . 1 1 6 6 THR CA C 6 65.228 63.837 1.391 17414 504 1 2 . 1 1 6 6 THR CB C 6 68.654 69.215 -0.561 17414 505 1 2 . 1 1 7 7 ARG N N 7 130.107 127.260 2.847 17414 506 1 2 . 1 1 7 7 ARG HA H 7 4.878 4.681 0.197 17414 507 1 2 . 1 1 7 7 ARG CA C 7 55.868 56.214 -0.346 17414 508 1 2 . 1 1 8 8 ILE N N 8 123.872 122.521 1.351 17414 509 1 2 . 1 1 8 8 ILE HA H 8 4.531 4.683 -0.152 17414 510 1 2 . 1 1 8 8 ILE CA C 8 59.240 60.495 -1.255 17414 511 1 2 . 1 1 8 8 ILE CB C 8 40.450 40.347 0.103 17414 512 1 2 . 1 1 9 9 PHE N N 9 129.317 129.600 -0.283 17414 513 1 2 . 1 1 9 9 PHE HA H 9 4.832 4.812 0.020 17414 514 1 2 . 1 1 9 9 PHE CA C 9 56.960 57.941 -0.981 17414 515 1 2 . 1 1 9 9 PHE CB C 9 40.542 39.968 0.574 17414 516 1 2 . 1 1 10 10 ASP N N 10 128.073 127.740 0.333 17414 517 1 2 . 1 1 10 10 ASP HA H 10 5.529 4.890 0.639 17414 518 1 2 . 1 1 10 10 ASP CA C 10 49.160 50.152 -0.992 17414 519 1 2 . 1 1 10 10 ASP CB C 10 43.037 42.364 0.673 17414 520 1 2 . 1 1 11 11 PRO HA H 11 3.974 4.316 -0.342 17414 521 1 2 . 1 1 11 11 PRO CA C 11 62.348 64.562 -2.214 17414 522 1 2 . 1 1 11 11 PRO CB C 11 30.977 32.114 -1.137 17414 523 1 2 . 1 1 12 12 VAL N N 12 124.105 116.419 7.686 17414 524 1 2 . 1 1 12 12 VAL HA H 12 3.591 3.641 -0.050 17414 525 1 2 . 1 1 12 12 VAL CA C 12 64.849 65.514 -0.665 17414 526 1 2 . 1 1 13 13 THR N N 13 107.133 109.456 -2.323 17414 527 1 2 . 1 1 13 13 THR HA H 13 4.228 4.232 -0.004 17414 528 1 2 . 1 1 13 13 THR CA C 13 60.944 62.834 -1.890 17414 529 1 2 . 1 1 13 13 THR CB C 13 69.447 70.267 -0.820 17414 530 1 2 . 1 1 14 14 GLY N N 14 112.897 111.686 1.211 17414 531 1 2 . 1 1 14 14 GLY CA C 14 45.650 45.715 -0.065 17414 532 1 2 . 1 1 15 15 THR N N 15 117.286 116.163 1.123 17414 533 1 2 . 1 1 15 15 THR HA H 15 4.276 4.769 -0.493 17414 534 1 2 . 1 1 15 15 THR CA C 15 61.382 61.172 0.210 17414 535 1 2 . 1 1 15 15 THR CB C 15 70.037 71.602 -1.565 17414 536 1 2 . 1 1 16 16 THR N N 16 120.518 118.930 1.588 17414 537 1 2 . 1 1 16 16 THR HA H 16 4.911 4.583 0.328 17414 538 1 2 . 1 1 16 16 THR CA C 16 62.321 62.926 -0.605 17414 539 1 2 . 1 1 16 16 THR CB C 16 69.184 68.956 0.228 17414 540 1 2 . 1 1 17 17 HIS N N 17 127.011 126.352 0.659 17414 541 1 2 . 1 1 17 17 HIS HA H 17 4.586 5.149 -0.563 17414 542 1 2 . 1 1 17 17 HIS CA C 17 54.406 54.317 0.089 17414 543 1 2 . 1 1 17 17 HIS CB C 17 35.299 32.640 2.659 17414 544 1 2 . 1 1 18 18 ARG N N 18 120.890 121.844 -0.954 17414 545 1 2 . 1 1 18 18 ARG HA H 18 4.679 4.472 0.207 17414 546 1 2 . 1 1 18 18 ARG CA C 18 54.802 55.405 -0.603 17414 547 1 2 . 1 1 18 18 ARG CB C 18 29.657 31.768 -2.111 17414 548 1 2 . 1 1 19 19 ILE N N 19 125.005 126.576 -1.571 17414 549 1 2 . 1 1 19 19 ILE HA H 19 3.696 3.888 -0.192 17414 550 1 2 . 1 1 19 19 ILE CA C 19 66.021 64.044 1.977 17414 551 1 2 . 1 1 19 19 ILE CB C 19 37.936 37.823 0.113 17414 552 1 2 . 1 1 20 20 GLU N N 20 123.813 119.407 4.406 17414 553 1 2 . 1 1 20 20 GLU HA H 20 2.787 3.808 -1.021 17414 554 1 2 . 1 1 20 20 GLU CA C 20 57.675 58.964 -1.289 17414 555 1 2 . 1 1 20 20 GLU CB C 20 28.945 29.111 -0.166 17414 556 1 2 . 1 1 21 21 ASP N N 21 123.330 120.791 2.539 17414 557 1 2 . 1 1 21 21 ASP HA H 21 4.489 4.362 0.127 17414 558 1 2 . 1 1 21 21 ASP CA C 21 55.734 56.677 -0.943 17414 559 1 2 . 1 1 21 21 ASP CB C 21 40.038 40.683 -0.645 17414 560 1 2 . 1 1 22 22 VAL N N 22 121.407 119.808 1.599 17414 561 1 2 . 1 1 22 22 VAL HA H 22 3.303 3.549 -0.246 17414 562 1 2 . 1 1 22 22 VAL CA C 22 65.768 66.457 -0.689 17414 563 1 2 . 1 1 22 22 VAL CB C 22 31.327 31.528 -0.201 17414 564 1 2 . 1 1 23 23 VAL N N 23 116.800 120.577 -3.777 17414 565 1 2 . 1 1 23 23 VAL HA H 23 3.928 3.687 0.241 17414 566 1 2 . 1 1 23 23 VAL CA C 23 66.310 66.289 0.021 17414 567 1 2 . 1 1 24 24 GLY N N 24 120.577 108.225 12.352 17414 568 1 2 . 1 1 25 25 GLY N N 25 103.034 108.437 -5.403 17414 569 1 2 . 1 1 25 25 GLY CA C 25 43.755 44.830 -1.075 17414 570 1 2 . 1 1 26 26 ARG N N 26 122.306 114.992 7.314 17414 571 1 2 . 1 1 26 26 ARG HA H 26 1.544 3.105 -1.561 17414 572 1 2 . 1 1 26 26 ARG CA C 26 55.119 56.330 -1.211 17414 573 1 2 . 1 1 26 26 ARG CB C 26 26.620 27.903 -1.283 17414 574 1 2 . 1 1 27 27 LYS N N 27 115.887 119.072 -3.185 17414 575 1 2 . 1 1 27 27 LYS HA H 27 4.168 4.471 -0.303 17414 576 1 2 . 1 1 27 27 LYS CB C 27 33.503 32.756 0.747 17414 577 1 2 . 1 1 28 28 PRO HA H 28 5.145 4.639 0.506 17414 578 1 2 . 1 1 28 28 PRO CA C 28 61.507 63.777 -2.270 17414 579 1 2 . 1 1 28 28 PRO CB C 28 27.787 31.502 -3.715 17414 580 1 2 . 1 1 29 29 ILE N N 29 116.657 121.548 -4.891 17414 581 1 2 . 1 1 29 29 ILE HA H 29 4.443 4.117 0.326 17414 582 1 2 . 1 1 29 29 ILE CA C 29 60.723 61.597 -0.874 17414 583 1 2 . 1 1 29 29 ILE CB C 29 38.563 38.941 -0.378 17414 584 1 2 . 1 1 30 30 HIS N N 30 118.274 122.188 -3.914 17414 585 1 2 . 1 1 30 30 HIS HA H 30 5.152 5.270 -0.118 17414 586 1 2 . 1 1 30 30 HIS CA C 30 55.902 54.080 1.822 17414 587 1 2 . 1 1 30 30 HIS CB C 30 30.925 34.091 -3.166 17414 588 1 2 . 1 1 31 31 VAL N N 31 107.262 115.444 -8.182 17414 589 1 2 . 1 1 31 31 VAL HA H 31 5.212 4.811 0.401 17414 590 1 2 . 1 1 31 31 VAL CA C 31 57.692 59.170 -1.478 17414 591 1 2 . 1 1 31 31 VAL CB C 31 34.153 36.308 -2.155 17414 592 1 2 . 1 1 32 32 VAL N N 32 119.900 122.432 -2.532 17414 593 1 2 . 1 1 32 32 VAL HA H 32 4.246 4.511 -0.265 17414 594 1 2 . 1 1 32 32 VAL CA C 32 62.504 61.993 0.511 17414 595 1 2 . 1 1 33 33 ALA N N 33 128.967 129.681 -0.714 17414 596 1 2 . 1 1 33 33 ALA HA H 33 4.522 5.283 -0.761 17414 597 1 2 . 1 1 33 33 ALA CA C 33 49.594 50.010 -0.416 17414 598 1 2 . 1 1 33 33 ALA CB C 33 23.635 22.922 0.713 17414 599 1 2 . 1 1 34 34 ALA N N 34 121.236 121.521 -0.285 17414 600 1 2 . 1 1 34 34 ALA HA H 34 5.207 5.348 -0.141 17414 601 1 2 . 1 1 34 34 ALA CA C 34 49.704 50.145 -0.441 17414 602 1 2 . 1 1 35 35 ALA N N 35 125.943 123.272 2.671 17414 603 1 2 . 1 1 35 35 ALA HA H 35 4.633 4.739 -0.106 17414 604 1 2 . 1 1 35 35 ALA CA C 35 50.168 49.881 0.287 17414 605 1 2 . 1 1 35 35 ALA CB C 35 20.121 21.398 -1.277 17414 606 1 2 . 1 1 36 36 LYS N N 36 121.159 117.548 3.611 17414 607 1 2 . 1 1 36 36 LYS HA H 36 4.272 4.198 0.074 17414 608 1 2 . 1 1 36 36 LYS CA C 36 58.723 58.364 0.359 17414 609 1 2 . 1 1 37 37 ASP N N 37 115.815 116.170 -0.355 17414 610 1 2 . 1 1 37 37 ASP HA H 37 4.526 4.542 -0.016 17414 611 1 2 . 1 1 37 37 ASP CA C 37 52.534 53.535 -1.001 17414 612 1 2 . 1 1 37 37 ASP CB C 37 39.654 40.626 -0.972 17414 613 1 2 . 1 1 38 38 GLY N N 38 107.649 109.900 -2.251 17414 614 1 2 . 1 1 38 38 GLY CA C 38 45.025 46.135 -1.110 17414 615 1 2 . 1 1 39 39 THR N N 39 110.428 112.857 -2.429 17414 616 1 2 . 1 1 39 39 THR HA H 39 4.265 4.596 -0.331 17414 617 1 2 . 1 1 39 39 THR CA C 39 60.883 60.287 0.596 17414 618 1 2 . 1 1 39 39 THR CB C 39 70.144 70.483 -0.339 17414 619 1 2 . 1 1 40 40 LEU N N 40 120.829 125.964 -5.135 17414 620 1 2 . 1 1 40 40 LEU HA H 40 5.312 5.289 0.023 17414 621 1 2 . 1 1 40 40 LEU CA C 40 53.146 54.442 -1.296 17414 622 1 2 . 1 1 40 40 LEU CB C 40 41.870 43.292 -1.422 17414 623 1 2 . 1 1 41 41 HIS N N 41 120.175 124.106 -3.931 17414 624 1 2 . 1 1 41 41 HIS HA H 41 4.622 5.304 -0.682 17414 625 1 2 . 1 1 41 41 HIS CA C 41 54.675 55.234 -0.559 17414 626 1 2 . 1 1 41 41 HIS CB C 41 35.374 33.766 1.608 17414 627 1 2 . 1 1 42 42 ALA N N 42 125.084 127.515 -2.431 17414 628 1 2 . 1 1 42 42 ALA HA H 42 5.530 4.382 1.148 17414 629 1 2 . 1 1 42 42 ALA CA C 42 50.934 52.167 -1.233 17414 630 1 2 . 1 1 42 42 ALA CB C 42 18.920 19.382 -0.462 17414 631 1 2 . 1 1 43 43 ARG N N 43 124.440 121.487 2.953 17414 632 1 2 . 1 1 43 43 ARG HA H 43 5.177 4.783 0.394 17414 633 1 2 . 1 1 43 43 ARG CA C 43 50.736 52.678 -1.942 17414 634 1 2 . 1 1 43 43 ARG CB C 43 35.105 32.860 2.245 17414 635 1 2 . 1 1 44 44 PRO HA H 44 4.506 4.024 0.482 17414 636 1 2 . 1 1 44 44 PRO CA C 44 61.661 62.045 -0.384 17414 637 1 2 . 1 1 44 44 PRO CB C 44 32.437 31.949 0.488 17414 638 1 2 . 1 1 45 45 VAL N N 45 119.113 120.236 -1.123 17414 639 1 2 . 1 1 45 45 VAL HA H 45 4.195 4.212 -0.017 17414 640 1 2 . 1 1 45 45 VAL CA C 45 61.770 61.548 0.222 17414 641 1 2 . 1 1 45 45 VAL CB C 45 32.099 32.601 -0.502 17414 642 1 2 . 1 1 46 46 VAL N N 46 114.811 119.494 -4.683 17414 643 1 2 . 1 1 46 46 VAL HA H 46 4.117 4.330 -0.213 17414 644 1 2 . 1 1 46 46 VAL CA C 46 59.689 60.830 -1.141 17414 645 1 2 . 1 1 46 46 VAL CB C 46 33.207 33.292 -0.085 17414 646 1 2 . 1 1 47 47 SER N N 47 113.271 113.257 0.014 17414 647 1 2 . 1 1 47 47 SER HA H 47 3.992 3.994 -0.002 17414 648 1 2 . 1 1 47 47 SER CA C 47 56.916 56.235 0.681 17414 649 1 2 . 1 1 47 47 SER CB C 47 65.285 65.082 0.203 17414 650 1 2 . 1 1 48 48 TRP N N 48 120.998 125.565 -4.567 17414 651 1 2 . 1 1 48 48 TRP HA H 48 4.518 5.152 -0.634 17414 652 1 2 . 1 1 48 48 TRP CA C 48 58.275 55.703 2.572 17414 653 1 2 . 1 1 48 48 TRP CB C 48 32.474 32.113 0.361 17414 654 1 2 . 1 1 49 49 PHE N N 49 120.098 121.800 -1.702 17414 655 1 2 . 1 1 49 49 PHE HA H 49 5.159 5.111 0.048 17414 656 1 2 . 1 1 49 49 PHE CA C 49 55.741 56.228 -0.487 17414 657 1 2 . 1 1 49 49 PHE CB C 49 40.992 43.576 -2.584 17414 658 1 2 . 1 1 50 50 ASP N N 50 127.259 121.747 5.512 17414 659 1 2 . 1 1 50 50 ASP HA H 50 4.829 5.573 -0.744 17414 660 1 2 . 1 1 50 50 ASP CA C 50 53.464 53.200 0.264 17414 661 1 2 . 1 1 50 50 ASP CB C 50 40.713 42.071 -1.358 17414 662 1 2 . 1 1 51 51 GLN N N 51 123.758 121.208 2.550 17414 663 1 2 . 1 1 51 51 GLN HA H 51 4.902 4.577 0.325 17414 664 1 2 . 1 1 51 51 GLN CA C 51 55.613 55.350 0.263 17414 665 1 2 . 1 1 52 52 GLY N N 52 108.682 107.578 1.104 17414 666 1 2 . 1 1 52 52 GLY CA C 52 44.063 44.527 -0.464 17414 667 1 2 . 1 1 53 53 THR N N 53 118.925 116.121 2.804 17414 668 1 2 . 1 1 53 53 THR HA H 53 4.734 4.759 -0.025 17414 669 1 2 . 1 1 53 53 THR CA C 53 62.734 63.167 -0.433 17414 670 1 2 . 1 1 53 53 THR CB C 53 67.881 69.528 -1.647 17414 671 1 2 . 1 1 54 54 ARG N N 54 125.981 124.412 1.569 17414 672 1 2 . 1 1 54 54 ARG HA H 54 4.677 4.910 -0.233 17414 673 1 2 . 1 1 54 54 ARG CA C 54 53.580 54.047 -0.467 17414 674 1 2 . 1 1 54 54 ARG CB C 54 35.619 34.349 1.270 17414 675 1 2 . 1 1 55 55 ASP N N 55 119.621 120.950 -1.329 17414 676 1 2 . 1 1 55 55 ASP HA H 55 4.973 5.111 -0.138 17414 677 1 2 . 1 1 55 55 ASP CA C 55 54.236 54.753 -0.517 17414 678 1 2 . 1 1 55 55 ASP CB C 55 40.704 41.076 -0.372 17414 679 1 2 . 1 1 56 56 VAL N N 56 114.565 117.635 -3.070 17414 680 1 2 . 1 1 56 56 VAL HA H 56 4.804 4.943 -0.139 17414 681 1 2 . 1 1 56 56 VAL CA C 56 58.672 59.506 -0.834 17414 682 1 2 . 1 1 56 56 VAL CB C 56 34.813 35.929 -1.116 17414 683 1 2 . 1 1 57 57 ILE N N 57 114.855 122.741 -7.886 17414 684 1 2 . 1 1 57 57 ILE HA H 57 4.740 4.926 -0.186 17414 685 1 2 . 1 1 57 57 ILE CA C 57 58.799 59.712 -0.913 17414 686 1 2 . 1 1 57 57 ILE CB C 57 41.197 39.285 1.912 17414 687 1 2 . 1 1 58 58 GLY N N 58 107.378 109.204 -1.826 17414 688 1 2 . 1 1 58 58 GLY CA C 58 43.036 43.571 -0.535 17414 689 1 2 . 1 1 59 59 LEU N N 59 124.061 126.140 -2.079 17414 690 1 2 . 1 1 59 59 LEU HA H 59 4.677 4.815 -0.138 17414 691 1 2 . 1 1 59 59 LEU CA C 59 52.282 53.531 -1.249 17414 692 1 2 . 1 1 59 59 LEU CB C 59 42.668 42.805 -0.137 17414 693 1 2 . 1 1 60 60 ARG N N 60 124.178 125.306 -1.128 17414 694 1 2 . 1 1 60 60 ARG HA H 60 4.799 4.926 -0.127 17414 695 1 2 . 1 1 61 61 ILE N N 61 128.222 127.002 1.220 17414 696 1 2 . 1 1 61 61 ILE HA H 61 4.492 4.564 -0.072 17414 697 1 2 . 1 1 61 61 ILE CA C 61 58.741 59.784 -1.043 17414 698 1 2 . 1 1 61 61 ILE CB C 61 37.622 39.543 -1.921 17414 699 1 2 . 1 1 62 62 ALA N N 62 128.005 131.224 -3.219 17414 700 1 2 . 1 1 62 62 ALA HA H 62 4.108 4.006 0.102 17414 701 1 2 . 1 1 62 62 ALA CA C 62 54.129 53.322 0.807 17414 702 1 2 . 1 1 62 62 ALA CB C 62 18.002 17.942 0.060 17414 703 1 2 . 1 1 63 63 GLY CA C 63 44.912 45.478 -0.566 17414 704 1 2 . 1 1 64 64 GLY N N 64 107.906 108.317 -0.411 17414 705 1 2 . 1 1 64 64 GLY CA C 64 44.751 46.503 -1.752 17414 706 1 2 . 1 1 65 65 ALA N N 65 125.759 122.748 3.011 17414 707 1 2 . 1 1 65 65 ALA HA H 65 4.394 4.750 -0.356 17414 708 1 2 . 1 1 65 65 ALA CA C 65 51.764 51.046 0.718 17414 709 1 2 . 1 1 65 65 ALA CB C 65 19.458 21.707 -2.249 17414 710 1 2 . 1 1 66 66 ILE N N 66 118.136 113.171 4.965 17414 711 1 2 . 1 1 66 66 ILE HA H 66 4.705 5.343 -0.638 17414 712 1 2 . 1 1 66 66 ILE CA C 66 59.670 58.865 0.805 17414 713 1 2 . 1 1 66 66 ILE CB C 66 40.415 42.148 -1.733 17414 714 1 2 . 1 1 67 67 LEU N N 67 127.715 123.332 4.383 17414 715 1 2 . 1 1 67 67 LEU HA H 67 4.728 5.005 -0.277 17414 716 1 2 . 1 1 67 67 LEU CA C 67 53.331 53.878 -0.547 17414 717 1 2 . 1 1 67 67 LEU CB C 67 44.102 45.827 -1.725 17414 718 1 2 . 1 1 68 68 TRP N N 68 129.332 127.756 1.576 17414 719 1 2 . 1 1 68 68 TRP HA H 68 5.672 5.561 0.111 17414 720 1 2 . 1 1 68 68 TRP CA C 68 54.812 56.036 -1.224 17414 721 1 2 . 1 1 68 68 TRP CB C 68 29.742 31.291 -1.549 17414 722 1 2 . 1 1 69 69 ALA N N 69 124.233 123.571 0.662 17414 723 1 2 . 1 1 69 69 ALA HA H 69 5.243 4.907 0.336 17414 724 1 2 . 1 1 69 69 ALA CA C 69 49.203 51.375 -2.172 17414 725 1 2 . 1 1 69 69 ALA CB C 69 22.138 23.405 -1.267 17414 726 1 2 . 1 1 70 70 THR N N 70 111.459 111.043 0.416 17414 727 1 2 . 1 1 70 70 THR HA H 70 5.152 4.841 0.311 17414 728 1 2 . 1 1 70 70 THR CA C 70 60.495 60.383 0.112 17414 729 1 2 . 1 1 70 70 THR CB C 70 67.570 68.950 -1.380 17414 730 1 2 . 1 1 71 71 PRO HA H 71 4.165 4.525 -0.360 17414 731 1 2 . 1 1 71 71 PRO CA C 71 64.390 64.860 -0.470 17414 732 1 2 . 1 1 72 72 ASP N N 72 112.234 117.296 -5.062 17414 733 1 2 . 1 1 72 72 ASP HA H 72 4.505 4.644 -0.139 17414 734 1 2 . 1 1 72 72 ASP CA C 72 52.827 54.712 -1.885 17414 735 1 2 . 1 1 73 73 HIS N N 73 125.389 120.837 4.552 17414 736 1 2 . 1 1 73 73 HIS HA H 73 3.796 4.340 -0.544 17414 737 1 2 . 1 1 73 73 HIS CA C 73 58.310 57.112 1.198 17414 738 1 2 . 1 1 73 73 HIS CB C 73 32.385 30.613 1.772 17414 739 1 2 . 1 1 74 74 LYS N N 74 127.412 125.504 1.908 17414 740 1 2 . 1 1 74 74 LYS HA H 74 4.661 4.487 0.174 17414 741 1 2 . 1 1 74 74 LYS CA C 74 56.845 55.652 1.193 17414 742 1 2 . 1 1 75 75 VAL N N 75 125.726 124.130 1.596 17414 743 1 2 . 1 1 75 75 VAL HA H 75 4.754 4.671 0.083 17414 744 1 2 . 1 1 75 75 VAL CA C 75 60.739 61.116 -0.377 17414 745 1 2 . 1 1 75 75 VAL CB C 75 35.276 34.234 1.042 17414 746 1 2 . 1 1 76 76 LEU N N 76 129.759 129.907 -0.148 17414 747 1 2 . 1 1 76 76 LEU HA H 76 3.514 4.191 -0.677 17414 748 1 2 . 1 1 76 76 LEU CA C 76 55.222 54.256 0.966 17414 749 1 2 . 1 1 76 76 LEU CB C 76 39.052 42.257 -3.205 17414 750 1 2 . 1 1 77 77 THR N N 77 116.138 117.146 -1.008 17414 751 1 2 . 1 1 77 77 THR HA H 77 5.295 4.809 0.486 17414 752 1 2 . 1 1 77 77 THR CA C 77 59.543 60.162 -0.619 17414 753 1 2 . 1 1 78 78 GLU N N 78 119.986 119.642 0.344 17414 754 1 2 . 1 1 78 78 GLU HA H 78 3.558 3.958 -0.400 17414 755 1 2 . 1 1 78 78 GLU CA C 78 57.551 58.338 -0.787 17414 756 1 2 . 1 1 78 78 GLU CB C 78 28.385 28.899 -0.514 17414 757 1 2 . 1 1 79 79 TYR N N 79 117.251 118.882 -1.631 17414 758 1 2 . 1 1 79 79 TYR HA H 79 4.749 4.547 0.202 17414 759 1 2 . 1 1 79 79 TYR CA C 79 55.553 58.212 -2.659 17414 760 1 2 . 1 1 79 79 TYR CB C 79 37.935 38.987 -1.052 17414 761 1 2 . 1 1 80 80 GLY N N 80 106.884 107.209 -0.325 17414 762 1 2 . 1 1 80 80 GLY CA C 80 42.757 44.389 -1.632 17414 763 1 2 . 1 1 81 81 TRP N N 81 125.593 122.998 2.595 17414 764 1 2 . 1 1 81 81 TRP HA H 81 4.884 5.147 -0.263 17414 765 1 2 . 1 1 81 81 TRP CA C 81 57.790 57.283 0.507 17414 766 1 2 . 1 1 81 81 TRP CB C 81 29.255 30.727 -1.472 17414 767 1 2 . 1 1 82 82 ARG N N 82 124.625 122.246 2.379 17414 768 1 2 . 1 1 82 82 ARG HA H 82 4.773 4.975 -0.202 17414 769 1 2 . 1 1 82 82 ARG CA C 82 53.895 54.029 -0.134 17414 770 1 2 . 1 1 83 83 ALA N N 83 125.891 126.126 -0.235 17414 771 1 2 . 1 1 83 83 ALA HA H 83 4.293 4.438 -0.145 17414 772 1 2 . 1 1 83 83 ALA CA C 83 51.686 52.138 -0.452 17414 773 1 2 . 1 1 84 84 ALA N N 84 125.790 124.373 1.417 17414 774 1 2 . 1 1 84 84 ALA HA H 84 3.930 3.969 -0.039 17414 775 1 2 . 1 1 84 84 ALA CB C 84 17.269 18.507 -1.238 17414 776 1 2 . 1 1 85 85 GLY N N 85 102.306 105.173 -2.867 17414 777 1 2 . 1 1 86 86 GLU N N 86 117.564 118.032 -0.468 17414 778 1 2 . 1 1 86 86 GLU HA H 86 4.414 4.396 0.018 17414 779 1 2 . 1 1 86 86 GLU CA C 86 55.233 56.201 -0.968 17414 780 1 2 . 1 1 86 86 GLU CB C 86 30.231 29.656 0.575 17414 781 1 2 . 1 1 87 87 LEU N N 87 119.746 122.084 -2.338 17414 782 1 2 . 1 1 87 87 LEU HA H 87 4.417 4.549 -0.132 17414 783 1 2 . 1 1 87 87 LEU CA C 87 54.274 53.465 0.809 17414 784 1 2 . 1 1 87 87 LEU CB C 87 41.471 43.491 -2.020 17414 785 1 2 . 1 1 88 88 ARG N N 88 120.899 124.884 -3.985 17414 786 1 2 . 1 1 88 88 ARG HA H 88 4.627 5.009 -0.382 17414 787 1 2 . 1 1 88 88 ARG CA C 88 52.594 54.097 -1.503 17414 788 1 2 . 1 1 89 89 LYS N N 89 119.795 125.872 -6.077 17414 789 1 2 . 1 1 89 89 LYS HA H 89 3.669 3.993 -0.324 17414 790 1 2 . 1 1 89 89 LYS CA C 89 57.770 58.053 -0.283 17414 791 1 2 . 1 1 90 90 GLY N N 90 115.070 113.576 1.494 17414 792 1 2 . 1 1 90 90 GLY CA C 90 44.499 45.328 -0.829 17414 793 1 2 . 1 1 91 91 ASP N N 91 121.652 122.089 -0.437 17414 794 1 2 . 1 1 91 91 ASP HA H 91 4.716 4.803 -0.087 17414 795 1 2 . 1 1 91 91 ASP CA C 91 55.866 53.661 2.205 17414 796 1 2 . 1 1 92 92 ARG N N 92 117.826 125.738 -7.912 17414 797 1 2 . 1 1 92 92 ARG HA H 92 5.241 4.998 0.243 17414 798 1 2 . 1 1 92 92 ARG CA C 92 54.976 55.896 -0.920 17414 799 1 2 . 1 1 92 92 ARG CB C 92 31.655 31.627 0.028 17414 800 1 2 . 1 1 93 93 VAL N N 93 115.034 118.091 -3.057 17414 801 1 2 . 1 1 93 93 VAL HA H 93 4.839 4.962 -0.123 17414 802 1 2 . 1 1 93 93 VAL CA C 93 58.222 59.372 -1.150 17414 803 1 2 . 1 1 94 94 ALA N N 94 126.192 124.712 1.480 17414 804 1 2 . 1 1 94 94 ALA HA H 94 4.271 4.021 0.250 17414 805 1 2 . 1 1 94 94 ALA CA C 94 50.975 51.650 -0.675 17414 806 1 2 . 1 1 94 94 ALA CB C 94 18.748 18.801 -0.053 17414 807 1 2 . 1 1 95 95 VAL N N 95 115.179 116.472 -1.293 17414 808 1 2 . 1 1 95 95 VAL HA H 95 5.317 4.941 0.376 17414 809 1 2 . 1 1 95 95 VAL CA C 95 57.154 58.781 -1.627 17414 810 1 2 . 1 1 95 95 VAL CB C 95 35.186 35.575 -0.389 17414 811 1 2 . 1 1 96 96 ARG N N 96 119.288 122.226 -2.938 17414 812 1 2 . 1 1 96 96 ARG HA H 96 4.230 4.943 -0.713 17414 813 1 2 . 1 1 96 96 ARG CA C 96 53.613 54.316 -0.703 17414 814 1 2 . 1 1 96 96 ARG CB C 96 31.697 33.149 -1.452 17414 815 1 2 . 1 1 97 97 ASP N N 97 131.180 125.937 5.243 17414 816 1 2 . 1 1 97 97 ASP HA H 97 4.415 4.763 -0.348 17414 817 1 2 . 1 1 97 97 ASP CA C 97 53.887 53.051 0.836 17414 818 1 2 . 1 1 97 97 ASP CB C 97 42.723 41.947 0.776 17414 819 1 2 . 1 1 98 98 VAL N N 98 126.152 125.605 0.547 17414 820 1 2 . 1 1 98 98 VAL HA H 98 3.489 3.776 -0.287 17414 821 1 2 . 1 1 98 98 VAL CA C 98 64.431 66.184 -1.753 17414 822 1 2 . 1 1 98 98 VAL CB C 98 31.047 31.314 -0.267 17414 823 1 2 . 1 1 99 99 GLU N N 99 118.883 120.826 -1.943 17414 824 1 2 . 1 1 99 99 GLU HA H 99 4.127 4.067 0.060 17414 825 1 2 . 1 1 99 99 GLU CA C 99 58.178 59.106 -0.928 17414 826 1 2 . 1 1 99 99 GLU CB C 99 29.591 30.024 -0.433 17414 827 1 2 . 1 1 100 100 THR N N 100 106.301 107.870 -1.569 17414 828 1 2 . 1 1 100 100 THR HA H 100 4.316 4.397 -0.081 17414 829 1 2 . 1 1 100 100 THR CA C 100 61.407 62.267 -0.860 17414 830 1 2 . 1 1 100 100 THR CB C 100 70.856 70.541 0.315 17414 831 1 2 . 1 1 101 101 GLY N N 101 111.204 111.902 -0.698 17414 832 1 2 . 1 1 101 101 GLY CA C 101 45.284 45.516 -0.232 17414 833 1 2 . 1 1 102 102 GLU N N 102 118.458 120.456 -1.998 17414 834 1 2 . 1 1 102 102 GLU HA H 102 4.301 4.460 -0.159 17414 835 1 2 . 1 1 102 102 GLU CA C 102 55.160 56.018 -0.858 17414 836 1 2 . 1 1 102 102 GLU CB C 102 31.769 31.006 0.763 17414 837 1 2 . 1 1 103 103 LEU N N 103 121.701 120.351 1.350 17414 838 1 2 . 1 1 103 103 LEU HA H 103 4.716 4.766 -0.050 17414 839 1 2 . 1 1 103 103 LEU CA C 103 54.930 53.877 1.053 17414 840 1 2 . 1 1 103 103 LEU CB C 103 42.346 42.915 -0.569 17414 841 1 2 . 1 1 104 104 ARG N N 104 127.157 119.683 7.474 17414 842 1 2 . 1 1 104 104 ARG HA H 104 4.403 4.916 -0.513 17414 843 1 2 . 1 1 104 104 ARG CA C 104 53.201 53.774 -0.573 17414 844 1 2 . 1 1 104 104 ARG CB C 104 32.989 34.620 -1.631 17414 845 1 2 . 1 1 105 105 TYR N N 105 116.202 117.803 -1.601 17414 846 1 2 . 1 1 105 105 TYR HA H 105 5.490 5.586 -0.096 17414 847 1 2 . 1 1 105 105 TYR CA C 105 56.831 56.587 0.244 17414 848 1 2 . 1 1 105 105 TYR CB C 105 40.116 42.542 -2.426 17414 849 1 2 . 1 1 106 106 SER N N 106 118.250 115.613 2.637 17414 850 1 2 . 1 1 106 106 SER HA H 106 4.807 5.121 -0.314 17414 851 1 2 . 1 1 106 106 SER CA C 106 55.888 57.625 -1.737 17414 852 1 2 . 1 1 106 106 SER CB C 106 66.301 66.861 -0.560 17414 853 1 2 . 1 1 107 107 VAL N N 107 122.160 122.744 -0.584 17414 854 1 2 . 1 1 107 107 VAL HA H 107 4.423 4.483 -0.060 17414 855 1 2 . 1 1 107 107 VAL CA C 107 61.369 61.264 0.105 17414 856 1 2 . 1 1 107 107 VAL CB C 107 33.633 33.352 0.281 17414 857 1 2 . 1 1 108 108 ILE N N 108 123.427 126.973 -3.546 17414 858 1 2 . 1 1 108 108 ILE HA H 108 4.100 4.242 -0.142 17414 859 1 2 . 1 1 108 108 ILE CA C 108 61.321 61.163 0.158 17414 860 1 2 . 1 1 108 108 ILE CB C 108 37.408 38.553 -1.145 17414 861 1 2 . 1 1 109 109 ARG N N 109 130.207 126.058 4.149 17414 862 1 2 . 1 1 109 109 ARG HA H 109 4.254 4.454 -0.200 17414 863 1 2 . 1 1 109 109 ARG CA C 109 55.904 57.275 -1.371 17414 864 1 2 . 1 1 110 110 GLU N N 110 116.804 117.843 -1.039 17414 865 1 2 . 1 1 110 110 GLU HA H 110 4.274 4.612 -0.338 17414 866 1 2 . 1 1 110 110 GLU CA C 110 55.889 56.157 -0.268 17414 867 1 2 . 1 1 110 110 GLU CB C 110 33.186 33.467 -0.281 17414 868 1 2 . 1 1 111 111 VAL N N 111 125.709 126.670 -0.961 17414 869 1 2 . 1 1 111 111 VAL HA H 111 4.709 4.527 0.182 17414 870 1 2 . 1 1 111 111 VAL CA C 111 60.903 61.822 -0.919 17414 871 1 2 . 1 1 111 111 VAL CB C 111 31.927 32.778 -0.851 17414 872 1 2 . 1 1 112 112 LEU N N 112 132.638 128.848 3.790 17414 873 1 2 . 1 1 112 112 LEU HA H 112 4.741 4.829 -0.088 17414 874 1 2 . 1 1 112 112 LEU CA C 112 52.655 51.181 1.474 17414 875 1 2 . 1 1 112 112 LEU CB C 112 40.998 42.805 -1.807 17414 876 1 2 . 1 1 113 113 PRO HA H 113 4.532 4.560 -0.028 17414 877 1 2 . 1 1 113 113 PRO CA C 113 61.916 62.768 -0.852 17414 878 1 2 . 1 1 113 113 PRO CB C 113 32.608 32.251 0.357 17414 879 1 2 . 1 1 114 114 THR N N 114 112.542 112.585 -0.043 17414 880 1 2 . 1 1 114 114 THR HA H 114 4.973 4.718 0.255 17414 881 1 2 . 1 1 114 114 THR CA C 114 61.865 61.359 0.506 17414 882 1 2 . 1 1 114 114 THR CB C 114 69.345 70.404 -1.059 17414 883 1 2 . 1 1 115 115 ARG N N 115 123.213 120.297 2.916 17414 884 1 2 . 1 1 115 115 ARG HA H 115 4.694 5.022 -0.328 17414 885 1 2 . 1 1 115 115 ARG CA C 115 54.302 54.409 -0.107 17414 886 1 2 . 1 1 115 115 ARG CB C 115 32.684 33.889 -1.205 17414 887 1 2 . 1 1 116 116 ARG N N 116 119.004 123.978 -4.974 17414 888 1 2 . 1 1 116 116 ARG HA H 116 4.879 4.738 0.141 17414 889 1 2 . 1 1 116 116 ARG CA C 116 54.554 56.376 -1.822 17414 890 1 2 . 1 1 116 116 ARG CB C 116 30.285 31.009 -0.724 17414 891 1 2 . 1 1 117 117 ALA N N 117 124.834 127.215 -2.381 17414 892 1 2 . 1 1 117 117 ALA HA H 117 4.599 4.783 -0.184 17414 893 1 2 . 1 1 117 117 ALA CA C 117 50.434 51.132 -0.698 17414 894 1 2 . 1 1 117 117 ALA CB C 117 23.139 22.804 0.335 17414 895 1 2 . 1 1 118 118 ARG N N 118 120.885 120.352 0.533 17414 896 1 2 . 1 1 118 118 ARG HA H 118 3.925 4.422 -0.497 17414 897 1 2 . 1 1 118 118 ARG CA C 118 57.559 55.579 1.980 17414 898 1 2 . 1 1 118 118 ARG CB C 118 30.409 31.185 -0.776 17414 899 1 2 . 1 1 119 119 THR N N 119 111.492 113.716 -2.224 17414 900 1 2 . 1 1 119 119 THR HA H 119 5.309 5.268 0.041 17414 901 1 2 . 1 1 119 119 THR CA C 119 60.071 59.177 0.894 17414 902 1 2 . 1 1 119 119 THR CB C 119 72.737 72.058 0.679 17414 903 1 2 . 1 1 120 120 PHE N N 120 113.949 119.479 -5.530 17414 904 1 2 . 1 1 120 120 PHE HA H 120 5.311 5.422 -0.111 17414 905 1 2 . 1 1 120 120 PHE CA C 120 57.898 56.096 1.802 17414 906 1 2 . 1 1 120 120 PHE CB C 120 46.203 43.651 2.552 17414 907 1 2 . 1 1 121 121 ASP N N 121 118.841 119.332 -0.491 17414 908 1 2 . 1 1 121 121 ASP HA H 121 5.352 5.425 -0.073 17414 909 1 2 . 1 1 121 121 ASP CA C 121 55.227 53.636 1.591 17414 910 1 2 . 1 1 121 121 ASP CB C 121 47.673 44.178 3.495 17414 911 1 2 . 1 1 122 122 LEU N N 122 118.637 125.250 -6.613 17414 912 1 2 . 1 1 122 122 LEU HA H 122 4.809 4.997 -0.188 17414 913 1 2 . 1 1 122 122 LEU CB C 122 45.915 43.281 2.634 17414 914 1 2 . 1 1 123 123 GLU N N 123 118.694 125.029 -6.335 17414 915 1 2 . 1 1 123 123 GLU HA H 123 4.515 4.676 -0.161 17414 916 1 2 . 1 1 123 123 GLU CA C 123 54.697 55.786 -1.089 17414 917 1 2 . 1 1 124 124 VAL N N 124 129.259 128.148 1.111 17414 918 1 2 . 1 1 124 124 VAL HA H 124 4.065 3.935 0.130 17414 919 1 2 . 1 1 124 124 VAL CA C 124 61.193 62.715 -1.522 17414 920 1 2 . 1 1 124 124 VAL CB C 124 33.607 31.120 2.487 17414 921 1 2 . 1 1 125 125 GLU N N 125 128.432 127.838 0.594 17414 922 1 2 . 1 1 125 125 GLU HA H 125 3.672 4.096 -0.424 17414 923 1 2 . 1 1 125 125 GLU CA C 125 58.494 59.973 -1.479 17414 924 1 2 . 1 1 125 125 GLU CB C 125 30.552 29.448 1.104 17414 925 1 2 . 1 1 126 126 GLU N N 126 120.993 119.647 1.346 17414 926 1 2 . 1 1 126 126 GLU HA H 126 3.570 4.324 -0.754 17414 927 1 2 . 1 1 126 126 GLU CA C 126 61.229 57.158 4.071 17414 928 1 2 . 1 1 126 126 GLU CB C 126 29.621 33.053 -3.432 17414 929 1 2 . 1 1 127 127 LEU N N 127 120.945 120.491 0.454 17414 930 1 2 . 1 1 127 127 LEU HA H 127 4.205 4.398 -0.193 17414 931 1 2 . 1 1 127 127 LEU CA C 127 55.681 53.799 1.882 17414 932 1 2 . 1 1 128 128 HIS HA H 128 4.584 4.357 0.227 17414 933 1 2 . 1 1 128 128 HIS CA C 128 54.566 57.423 -2.857 17414 934 1 2 . 1 1 128 128 HIS CB C 128 26.062 29.560 -3.498 17414 935 1 2 . 1 1 129 129 THR N N 129 105.639 114.775 -9.136 17414 936 1 2 . 1 1 129 129 THR HA H 129 4.899 4.911 -0.012 17414 937 1 2 . 1 1 129 129 THR CA C 129 58.380 61.131 -2.751 17414 938 1 2 . 1 1 129 129 THR CB C 129 72.980 71.186 1.794 17414 939 1 2 . 1 1 130 130 LEU N N 130 111.598 119.945 -8.347 17414 940 1 2 . 1 1 130 130 LEU HA H 130 5.537 5.271 0.266 17414 941 1 2 . 1 1 130 130 LEU CA C 130 54.683 53.986 0.697 17414 942 1 2 . 1 1 130 130 LEU CB C 130 44.277 45.038 -0.761 17414 943 1 2 . 1 1 131 131 VAL N N 131 119.670 121.479 -1.809 17414 944 1 2 . 1 1 131 131 VAL HA H 131 4.830 4.546 0.284 17414 945 1 2 . 1 1 131 131 VAL CA C 131 61.285 62.578 -1.293 17414 946 1 2 . 1 1 131 131 VAL CB C 131 30.272 31.838 -1.566 17414 947 1 2 . 1 1 132 132 ALA N N 132 134.824 129.012 5.812 17414 948 1 2 . 1 1 132 132 ALA HA H 132 4.931 4.932 -0.001 17414 949 1 2 . 1 1 132 132 ALA CA C 132 49.999 50.665 -0.666 17414 950 1 2 . 1 1 132 132 ALA CB C 132 21.422 21.691 -0.269 17414 951 1 2 . 1 1 133 133 GLU N N 133 118.979 125.136 -6.157 17414 952 1 2 . 1 1 133 133 GLU HA H 133 3.826 4.078 -0.252 17414 953 1 2 . 1 1 133 133 GLU CA C 133 57.065 57.720 -0.655 17414 954 1 2 . 1 1 133 133 GLU CB C 133 26.406 28.375 -1.969 17414 955 1 2 . 1 1 134 134 GLY N N 134 100.017 104.383 -4.366 17414 956 1 2 . 1 1 134 134 GLY CA C 134 45.352 45.468 -0.116 17414 957 1 2 . 1 1 135 135 VAL N N 135 122.381 121.546 0.835 17414 958 1 2 . 1 1 135 135 VAL HA H 135 4.560 4.129 0.431 17414 959 1 2 . 1 1 135 135 VAL CA C 135 60.885 62.063 -1.178 17414 960 1 2 . 1 1 135 135 VAL CB C 135 32.542 32.800 -0.258 17414 961 1 2 . 1 1 136 136 VAL N N 136 126.302 126.474 -0.172 17414 962 1 2 . 1 1 136 136 VAL HA H 136 4.254 4.774 -0.520 17414 963 1 2 . 1 1 136 136 VAL CA C 136 63.608 61.752 1.856 17414 964 1 2 . 1 1 136 136 VAL CB C 136 30.519 32.612 -2.093 17414 965 1 2 . 1 1 137 137 VAL N N 137 118.757 120.723 -1.966 17414 966 1 2 . 1 1 137 137 VAL HA H 137 5.743 5.204 0.539 17414 967 1 2 . 1 1 137 137 VAL CA C 137 58.252 59.820 -1.568 17414 968 1 2 . 1 1 137 137 VAL CB C 137 36.378 36.205 0.173 17414 969 1 2 . 1 1 138 138 HIS N N 138 120.902 123.738 -2.836 17414 970 1 2 . 1 1 138 138 HIS HA H 138 4.434 4.340 0.094 17414 971 1 2 . 1 1 138 138 HIS CA C 138 56.439 57.511 -1.072 17414 972 1 2 . 1 1 138 138 HIS CB C 138 30.583 30.238 0.345 17414 973 1 3 . 1 1 2 2 LEU N N 2 122.945 121.857 1.088 17414 974 1 3 . 1 1 2 2 LEU HA H 2 5.005 5.055 -0.050 17414 975 1 3 . 1 1 2 2 LEU CA C 2 53.355 53.483 -0.128 17414 976 1 3 . 1 1 2 2 LEU CB C 2 43.858 44.458 -0.600 17414 977 1 3 . 1 1 3 3 ALA N N 3 121.232 127.162 -5.930 17414 978 1 3 . 1 1 3 3 ALA HA H 3 4.730 4.801 -0.071 17414 979 1 3 . 1 1 3 3 ALA CA C 3 52.302 51.301 1.001 17414 980 1 3 . 1 1 3 3 ALA CB C 3 21.769 20.387 1.382 17414 981 1 3 . 1 1 4 4 GLU N N 4 121.283 118.904 2.379 17414 982 1 3 . 1 1 4 4 GLU HA H 4 4.074 4.403 -0.329 17414 983 1 3 . 1 1 4 4 GLU CA C 4 57.136 57.363 -0.227 17414 984 1 3 . 1 1 4 4 GLU CB C 4 31.847 30.068 1.779 17414 985 1 3 . 1 1 5 5 GLY N N 5 119.858 112.684 7.174 17414 986 1 3 . 1 1 5 5 GLY CA C 5 44.157 45.170 -1.013 17414 987 1 3 . 1 1 6 6 THR N N 6 117.099 116.789 0.310 17414 988 1 3 . 1 1 6 6 THR HA H 6 4.301 4.232 0.069 17414 989 1 3 . 1 1 6 6 THR CA C 6 65.228 63.872 1.356 17414 990 1 3 . 1 1 6 6 THR CB C 6 68.654 69.097 -0.443 17414 991 1 3 . 1 1 7 7 ARG N N 7 130.107 127.239 2.868 17414 992 1 3 . 1 1 7 7 ARG HA H 7 4.878 4.681 0.197 17414 993 1 3 . 1 1 7 7 ARG CA C 7 55.868 56.195 -0.327 17414 994 1 3 . 1 1 8 8 ILE N N 8 123.872 122.493 1.379 17414 995 1 3 . 1 1 8 8 ILE HA H 8 4.531 4.667 -0.136 17414 996 1 3 . 1 1 8 8 ILE CA C 8 59.240 60.477 -1.237 17414 997 1 3 . 1 1 8 8 ILE CB C 8 40.450 40.584 -0.134 17414 998 1 3 . 1 1 9 9 PHE N N 9 129.317 129.489 -0.172 17414 999 1 3 . 1 1 9 9 PHE HA H 9 4.832 4.674 0.158 17414 1000 1 3 . 1 1 9 9 PHE CA C 9 56.960 57.787 -0.827 17414 1001 1 3 . 1 1 9 9 PHE CB C 9 40.542 39.899 0.643 17414 1002 1 3 . 1 1 10 10 ASP N N 10 128.073 128.018 0.055 17414 1003 1 3 . 1 1 10 10 ASP HA H 10 5.529 5.281 0.248 17414 1004 1 3 . 1 1 10 10 ASP CA C 10 49.160 49.209 -0.049 17414 1005 1 3 . 1 1 10 10 ASP CB C 10 43.037 42.011 1.026 17414 1006 1 3 . 1 1 11 11 PRO HA H 11 3.974 4.530 -0.556 17414 1007 1 3 . 1 1 11 11 PRO CA C 11 62.348 65.284 -2.936 17414 1008 1 3 . 1 1 11 11 PRO CB C 11 30.977 32.075 -1.098 17414 1009 1 3 . 1 1 12 12 VAL N N 12 124.105 116.151 7.954 17414 1010 1 3 . 1 1 12 12 VAL HA H 12 3.591 3.655 -0.064 17414 1011 1 3 . 1 1 12 12 VAL CA C 12 64.849 65.905 -1.056 17414 1012 1 3 . 1 1 13 13 THR N N 13 107.133 109.488 -2.355 17414 1013 1 3 . 1 1 13 13 THR HA H 13 4.228 4.252 -0.024 17414 1014 1 3 . 1 1 13 13 THR CA C 13 60.944 62.754 -1.810 17414 1015 1 3 . 1 1 13 13 THR CB C 13 69.447 70.296 -0.849 17414 1016 1 3 . 1 1 14 14 GLY N N 14 112.897 111.703 1.194 17414 1017 1 3 . 1 1 14 14 GLY CA C 14 45.650 45.515 0.135 17414 1018 1 3 . 1 1 15 15 THR N N 15 117.286 115.516 1.770 17414 1019 1 3 . 1 1 15 15 THR HA H 15 4.276 4.483 -0.207 17414 1020 1 3 . 1 1 15 15 THR CA C 15 61.382 60.790 0.592 17414 1021 1 3 . 1 1 15 15 THR CB C 15 70.037 71.258 -1.221 17414 1022 1 3 . 1 1 16 16 THR N N 16 120.518 118.790 1.728 17414 1023 1 3 . 1 1 16 16 THR HA H 16 4.911 4.358 0.553 17414 1024 1 3 . 1 1 16 16 THR CA C 16 62.321 62.754 -0.433 17414 1025 1 3 . 1 1 16 16 THR CB C 16 69.184 68.757 0.427 17414 1026 1 3 . 1 1 17 17 HIS N N 17 127.011 125.447 1.564 17414 1027 1 3 . 1 1 17 17 HIS HA H 17 4.586 5.169 -0.583 17414 1028 1 3 . 1 1 17 17 HIS CA C 17 54.406 54.071 0.335 17414 1029 1 3 . 1 1 17 17 HIS CB C 17 35.299 32.670 2.629 17414 1030 1 3 . 1 1 18 18 ARG N N 18 120.890 121.968 -1.078 17414 1031 1 3 . 1 1 18 18 ARG HA H 18 4.679 4.445 0.234 17414 1032 1 3 . 1 1 18 18 ARG CA C 18 54.802 55.448 -0.646 17414 1033 1 3 . 1 1 18 18 ARG CB C 18 29.657 31.460 -1.803 17414 1034 1 3 . 1 1 19 19 ILE N N 19 125.005 126.698 -1.693 17414 1035 1 3 . 1 1 19 19 ILE HA H 19 3.696 3.819 -0.123 17414 1036 1 3 . 1 1 19 19 ILE CA C 19 66.021 63.913 2.108 17414 1037 1 3 . 1 1 19 19 ILE CB C 19 37.936 37.686 0.250 17414 1038 1 3 . 1 1 20 20 GLU N N 20 123.813 119.131 4.682 17414 1039 1 3 . 1 1 20 20 GLU HA H 20 2.787 3.229 -0.442 17414 1040 1 3 . 1 1 20 20 GLU CA C 20 57.675 58.586 -0.911 17414 1041 1 3 . 1 1 20 20 GLU CB C 20 28.945 28.938 0.007 17414 1042 1 3 . 1 1 21 21 ASP N N 21 123.330 119.802 3.528 17414 1043 1 3 . 1 1 21 21 ASP HA H 21 4.489 4.476 0.013 17414 1044 1 3 . 1 1 21 21 ASP CA C 21 55.734 56.634 -0.900 17414 1045 1 3 . 1 1 21 21 ASP CB C 21 40.038 40.975 -0.937 17414 1046 1 3 . 1 1 22 22 VAL N N 22 121.407 120.589 0.818 17414 1047 1 3 . 1 1 22 22 VAL HA H 22 3.303 3.506 -0.203 17414 1048 1 3 . 1 1 22 22 VAL CA C 22 65.768 66.457 -0.689 17414 1049 1 3 . 1 1 22 22 VAL CB C 22 31.327 31.525 -0.198 17414 1050 1 3 . 1 1 23 23 VAL N N 23 116.800 120.626 -3.826 17414 1051 1 3 . 1 1 23 23 VAL HA H 23 3.928 3.749 0.179 17414 1052 1 3 . 1 1 23 23 VAL CA C 23 66.310 66.397 -0.087 17414 1053 1 3 . 1 1 24 24 GLY N N 24 120.577 108.242 12.335 17414 1054 1 3 . 1 1 25 25 GLY N N 25 103.034 108.214 -5.180 17414 1055 1 3 . 1 1 25 25 GLY CA C 25 43.755 44.840 -1.085 17414 1056 1 3 . 1 1 26 26 ARG N N 26 122.306 115.157 7.149 17414 1057 1 3 . 1 1 26 26 ARG HA H 26 1.544 2.997 -1.453 17414 1058 1 3 . 1 1 26 26 ARG CA C 26 55.119 56.326 -1.207 17414 1059 1 3 . 1 1 26 26 ARG CB C 26 26.620 27.727 -1.107 17414 1060 1 3 . 1 1 27 27 LYS N N 27 115.887 119.347 -3.460 17414 1061 1 3 . 1 1 27 27 LYS HA H 27 4.168 4.327 -0.159 17414 1062 1 3 . 1 1 27 27 LYS CB C 27 33.503 32.374 1.129 17414 1063 1 3 . 1 1 28 28 PRO HA H 28 5.145 4.932 0.213 17414 1064 1 3 . 1 1 28 28 PRO CA C 28 61.507 62.494 -0.987 17414 1065 1 3 . 1 1 28 28 PRO CB C 28 27.787 29.998 -2.211 17414 1066 1 3 . 1 1 29 29 ILE N N 29 116.657 117.748 -1.091 17414 1067 1 3 . 1 1 29 29 ILE HA H 29 4.443 5.348 -0.905 17414 1068 1 3 . 1 1 29 29 ILE CA C 29 60.723 58.946 1.777 17414 1069 1 3 . 1 1 29 29 ILE CB C 29 38.563 41.512 -2.949 17414 1070 1 3 . 1 1 30 30 HIS N N 30 118.274 118.608 -0.334 17414 1071 1 3 . 1 1 30 30 HIS HA H 30 5.152 5.451 -0.299 17414 1072 1 3 . 1 1 30 30 HIS CA C 30 55.902 54.023 1.879 17414 1073 1 3 . 1 1 30 30 HIS CB C 30 30.925 34.422 -3.497 17414 1074 1 3 . 1 1 31 31 VAL N N 31 107.262 115.889 -8.627 17414 1075 1 3 . 1 1 31 31 VAL HA H 31 5.212 4.933 0.279 17414 1076 1 3 . 1 1 31 31 VAL CA C 31 57.692 59.373 -1.681 17414 1077 1 3 . 1 1 31 31 VAL CB C 31 34.153 36.388 -2.235 17414 1078 1 3 . 1 1 32 32 VAL N N 32 119.900 122.435 -2.535 17414 1079 1 3 . 1 1 32 32 VAL HA H 32 4.246 4.659 -0.413 17414 1080 1 3 . 1 1 32 32 VAL CA C 32 62.504 61.803 0.701 17414 1081 1 3 . 1 1 33 33 ALA N N 33 128.967 130.046 -1.079 17414 1082 1 3 . 1 1 33 33 ALA HA H 33 4.522 5.270 -0.748 17414 1083 1 3 . 1 1 33 33 ALA CA C 33 49.594 50.320 -0.726 17414 1084 1 3 . 1 1 33 33 ALA CB C 33 23.635 22.591 1.044 17414 1085 1 3 . 1 1 34 34 ALA N N 34 121.236 121.022 0.214 17414 1086 1 3 . 1 1 34 34 ALA HA H 34 5.207 5.330 -0.123 17414 1087 1 3 . 1 1 34 34 ALA CA C 34 49.704 50.601 -0.897 17414 1088 1 3 . 1 1 35 35 ALA N N 35 125.943 122.794 3.149 17414 1089 1 3 . 1 1 35 35 ALA HA H 35 4.633 4.725 -0.092 17414 1090 1 3 . 1 1 35 35 ALA CA C 35 50.168 49.958 0.210 17414 1091 1 3 . 1 1 35 35 ALA CB C 35 20.121 21.666 -1.545 17414 1092 1 3 . 1 1 36 36 LYS N N 36 121.159 117.667 3.492 17414 1093 1 3 . 1 1 36 36 LYS HA H 36 4.272 4.129 0.143 17414 1094 1 3 . 1 1 36 36 LYS CA C 36 58.723 58.576 0.147 17414 1095 1 3 . 1 1 37 37 ASP N N 37 115.815 117.442 -1.627 17414 1096 1 3 . 1 1 37 37 ASP HA H 37 4.526 4.720 -0.194 17414 1097 1 3 . 1 1 37 37 ASP CA C 37 52.534 54.086 -1.552 17414 1098 1 3 . 1 1 37 37 ASP CB C 37 39.654 41.465 -1.811 17414 1099 1 3 . 1 1 38 38 GLY N N 38 107.649 107.936 -0.287 17414 1100 1 3 . 1 1 38 38 GLY CA C 38 45.025 45.982 -0.957 17414 1101 1 3 . 1 1 39 39 THR N N 39 110.428 112.744 -2.316 17414 1102 1 3 . 1 1 39 39 THR HA H 39 4.265 4.579 -0.314 17414 1103 1 3 . 1 1 39 39 THR CA C 39 60.883 60.334 0.549 17414 1104 1 3 . 1 1 39 39 THR CB C 39 70.144 70.542 -0.398 17414 1105 1 3 . 1 1 40 40 LEU N N 40 120.829 125.933 -5.104 17414 1106 1 3 . 1 1 40 40 LEU HA H 40 5.312 5.126 0.186 17414 1107 1 3 . 1 1 40 40 LEU CA C 40 53.146 54.486 -1.340 17414 1108 1 3 . 1 1 40 40 LEU CB C 40 41.870 43.089 -1.219 17414 1109 1 3 . 1 1 41 41 HIS N N 41 120.175 124.052 -3.877 17414 1110 1 3 . 1 1 41 41 HIS HA H 41 4.622 5.326 -0.704 17414 1111 1 3 . 1 1 41 41 HIS CA C 41 54.675 55.072 -0.397 17414 1112 1 3 . 1 1 41 41 HIS CB C 41 35.374 33.634 1.740 17414 1113 1 3 . 1 1 42 42 ALA N N 42 125.084 127.859 -2.775 17414 1114 1 3 . 1 1 42 42 ALA HA H 42 5.530 4.650 0.880 17414 1115 1 3 . 1 1 42 42 ALA CA C 42 50.934 52.420 -1.486 17414 1116 1 3 . 1 1 42 42 ALA CB C 42 18.920 19.622 -0.702 17414 1117 1 3 . 1 1 43 43 ARG N N 43 124.440 121.671 2.769 17414 1118 1 3 . 1 1 43 43 ARG HA H 43 5.177 4.904 0.273 17414 1119 1 3 . 1 1 43 43 ARG CA C 43 50.736 52.791 -2.055 17414 1120 1 3 . 1 1 43 43 ARG CB C 43 35.105 32.960 2.145 17414 1121 1 3 . 1 1 44 44 PRO HA H 44 4.506 4.127 0.379 17414 1122 1 3 . 1 1 44 44 PRO CA C 44 61.661 61.946 -0.285 17414 1123 1 3 . 1 1 44 44 PRO CB C 44 32.437 32.048 0.389 17414 1124 1 3 . 1 1 45 45 VAL N N 45 119.113 120.250 -1.137 17414 1125 1 3 . 1 1 45 45 VAL HA H 45 4.195 4.294 -0.099 17414 1126 1 3 . 1 1 45 45 VAL CA C 45 61.770 61.376 0.394 17414 1127 1 3 . 1 1 45 45 VAL CB C 45 32.099 33.332 -1.233 17414 1128 1 3 . 1 1 46 46 VAL N N 46 114.811 119.200 -4.389 17414 1129 1 3 . 1 1 46 46 VAL HA H 46 4.117 4.364 -0.247 17414 1130 1 3 . 1 1 46 46 VAL CA C 46 59.689 60.647 -0.958 17414 1131 1 3 . 1 1 46 46 VAL CB C 46 33.207 33.345 -0.138 17414 1132 1 3 . 1 1 47 47 SER N N 47 113.271 112.248 1.023 17414 1133 1 3 . 1 1 47 47 SER HA H 47 3.992 4.131 -0.139 17414 1134 1 3 . 1 1 47 47 SER CA C 47 56.916 56.431 0.485 17414 1135 1 3 . 1 1 47 47 SER CB C 47 65.285 65.668 -0.383 17414 1136 1 3 . 1 1 48 48 TRP N N 48 120.998 121.564 -0.566 17414 1137 1 3 . 1 1 48 48 TRP HA H 48 4.518 5.056 -0.538 17414 1138 1 3 . 1 1 48 48 TRP CA C 48 58.275 55.931 2.344 17414 1139 1 3 . 1 1 48 48 TRP CB C 48 32.474 32.459 0.015 17414 1140 1 3 . 1 1 49 49 PHE N N 49 120.098 121.738 -1.640 17414 1141 1 3 . 1 1 49 49 PHE HA H 49 5.159 5.108 0.051 17414 1142 1 3 . 1 1 49 49 PHE CA C 49 55.741 56.263 -0.522 17414 1143 1 3 . 1 1 49 49 PHE CB C 49 40.992 43.525 -2.533 17414 1144 1 3 . 1 1 50 50 ASP N N 50 127.259 123.452 3.807 17414 1145 1 3 . 1 1 50 50 ASP HA H 50 4.829 5.065 -0.236 17414 1146 1 3 . 1 1 50 50 ASP CA C 50 53.464 52.929 0.535 17414 1147 1 3 . 1 1 50 50 ASP CB C 50 40.713 42.810 -2.097 17414 1148 1 3 . 1 1 51 51 GLN N N 51 123.758 122.985 0.773 17414 1149 1 3 . 1 1 51 51 GLN HA H 51 4.902 4.546 0.356 17414 1150 1 3 . 1 1 51 51 GLN CA C 51 55.613 55.623 -0.010 17414 1151 1 3 . 1 1 52 52 GLY N N 52 108.682 107.636 1.046 17414 1152 1 3 . 1 1 52 52 GLY CA C 52 44.063 44.364 -0.301 17414 1153 1 3 . 1 1 53 53 THR N N 53 118.925 116.031 2.894 17414 1154 1 3 . 1 1 53 53 THR HA H 53 4.734 4.823 -0.089 17414 1155 1 3 . 1 1 53 53 THR CA C 53 62.734 63.340 -0.606 17414 1156 1 3 . 1 1 53 53 THR CB C 53 67.881 69.591 -1.710 17414 1157 1 3 . 1 1 54 54 ARG N N 54 125.981 124.440 1.541 17414 1158 1 3 . 1 1 54 54 ARG HA H 54 4.677 4.891 -0.214 17414 1159 1 3 . 1 1 54 54 ARG CA C 54 53.580 54.041 -0.461 17414 1160 1 3 . 1 1 54 54 ARG CB C 54 35.619 34.234 1.385 17414 1161 1 3 . 1 1 55 55 ASP N N 55 119.621 121.104 -1.483 17414 1162 1 3 . 1 1 55 55 ASP HA H 55 4.973 5.130 -0.157 17414 1163 1 3 . 1 1 55 55 ASP CA C 55 54.236 54.646 -0.410 17414 1164 1 3 . 1 1 55 55 ASP CB C 55 40.704 41.061 -0.357 17414 1165 1 3 . 1 1 56 56 VAL N N 56 114.565 117.915 -3.350 17414 1166 1 3 . 1 1 56 56 VAL HA H 56 4.804 4.914 -0.110 17414 1167 1 3 . 1 1 56 56 VAL CA C 56 58.672 59.435 -0.763 17414 1168 1 3 . 1 1 56 56 VAL CB C 56 34.813 35.947 -1.134 17414 1169 1 3 . 1 1 57 57 ILE N N 57 114.855 122.358 -7.503 17414 1170 1 3 . 1 1 57 57 ILE HA H 57 4.740 5.003 -0.263 17414 1171 1 3 . 1 1 57 57 ILE CA C 57 58.799 59.255 -0.456 17414 1172 1 3 . 1 1 57 57 ILE CB C 57 41.197 39.943 1.254 17414 1173 1 3 . 1 1 58 58 GLY N N 58 107.378 109.044 -1.666 17414 1174 1 3 . 1 1 58 58 GLY CA C 58 43.036 43.370 -0.334 17414 1175 1 3 . 1 1 59 59 LEU N N 59 124.061 124.964 -0.903 17414 1176 1 3 . 1 1 59 59 LEU HA H 59 4.677 4.759 -0.082 17414 1177 1 3 . 1 1 59 59 LEU CA C 59 52.282 53.538 -1.256 17414 1178 1 3 . 1 1 59 59 LEU CB C 59 42.668 43.302 -0.634 17414 1179 1 3 . 1 1 60 60 ARG N N 60 124.178 125.056 -0.878 17414 1180 1 3 . 1 1 60 60 ARG HA H 60 4.799 4.824 -0.025 17414 1181 1 3 . 1 1 61 61 ILE N N 61 128.222 127.309 0.913 17414 1182 1 3 . 1 1 61 61 ILE HA H 61 4.492 4.582 -0.090 17414 1183 1 3 . 1 1 61 61 ILE CA C 61 58.741 59.878 -1.137 17414 1184 1 3 . 1 1 61 61 ILE CB C 61 37.622 39.559 -1.937 17414 1185 1 3 . 1 1 62 62 ALA N N 62 128.005 131.254 -3.249 17414 1186 1 3 . 1 1 62 62 ALA HA H 62 4.108 3.978 0.130 17414 1187 1 3 . 1 1 62 62 ALA CA C 62 54.129 53.376 0.753 17414 1188 1 3 . 1 1 62 62 ALA CB C 62 18.002 18.018 -0.016 17414 1189 1 3 . 1 1 63 63 GLY CA C 63 44.912 45.604 -0.692 17414 1190 1 3 . 1 1 64 64 GLY N N 64 107.906 108.379 -0.473 17414 1191 1 3 . 1 1 64 64 GLY CA C 64 44.751 45.992 -1.241 17414 1192 1 3 . 1 1 65 65 ALA N N 65 125.759 123.778 1.981 17414 1193 1 3 . 1 1 65 65 ALA HA H 65 4.394 4.732 -0.338 17414 1194 1 3 . 1 1 65 65 ALA CA C 65 51.764 51.335 0.429 17414 1195 1 3 . 1 1 65 65 ALA CB C 65 19.458 21.420 -1.962 17414 1196 1 3 . 1 1 66 66 ILE N N 66 118.136 119.442 -1.306 17414 1197 1 3 . 1 1 66 66 ILE HA H 66 4.705 5.067 -0.362 17414 1198 1 3 . 1 1 66 66 ILE CA C 66 59.670 59.508 0.162 17414 1199 1 3 . 1 1 66 66 ILE CB C 66 40.415 42.537 -2.122 17414 1200 1 3 . 1 1 67 67 LEU N N 67 127.715 127.274 0.441 17414 1201 1 3 . 1 1 67 67 LEU HA H 67 4.728 5.014 -0.286 17414 1202 1 3 . 1 1 67 67 LEU CA C 67 53.331 53.613 -0.282 17414 1203 1 3 . 1 1 67 67 LEU CB C 67 44.102 45.864 -1.762 17414 1204 1 3 . 1 1 68 68 TRP N N 68 129.332 128.273 1.059 17414 1205 1 3 . 1 1 68 68 TRP HA H 68 5.672 5.470 0.202 17414 1206 1 3 . 1 1 68 68 TRP CA C 68 54.812 56.068 -1.256 17414 1207 1 3 . 1 1 68 68 TRP CB C 68 29.742 31.013 -1.271 17414 1208 1 3 . 1 1 69 69 ALA N N 69 124.233 124.137 0.096 17414 1209 1 3 . 1 1 69 69 ALA HA H 69 5.243 4.920 0.323 17414 1210 1 3 . 1 1 69 69 ALA CA C 69 49.203 51.171 -1.968 17414 1211 1 3 . 1 1 69 69 ALA CB C 69 22.138 23.212 -1.074 17414 1212 1 3 . 1 1 70 70 THR N N 70 111.459 110.718 0.741 17414 1213 1 3 . 1 1 70 70 THR HA H 70 5.152 4.783 0.369 17414 1214 1 3 . 1 1 70 70 THR CA C 70 60.495 60.403 0.092 17414 1215 1 3 . 1 1 70 70 THR CB C 70 67.570 68.879 -1.309 17414 1216 1 3 . 1 1 71 71 PRO HA H 71 4.165 4.564 -0.399 17414 1217 1 3 . 1 1 71 71 PRO CA C 71 64.390 64.928 -0.538 17414 1218 1 3 . 1 1 72 72 ASP N N 72 112.234 117.295 -5.061 17414 1219 1 3 . 1 1 72 72 ASP HA H 72 4.505 4.779 -0.274 17414 1220 1 3 . 1 1 72 72 ASP CA C 72 52.827 54.257 -1.430 17414 1221 1 3 . 1 1 73 73 HIS N N 73 125.389 121.416 3.973 17414 1222 1 3 . 1 1 73 73 HIS HA H 73 3.796 4.823 -1.027 17414 1223 1 3 . 1 1 73 73 HIS CA C 73 58.310 56.978 1.332 17414 1224 1 3 . 1 1 73 73 HIS CB C 73 32.385 30.663 1.722 17414 1225 1 3 . 1 1 74 74 LYS N N 74 127.412 125.504 1.908 17414 1226 1 3 . 1 1 74 74 LYS HA H 74 4.661 4.537 0.124 17414 1227 1 3 . 1 1 74 74 LYS CA C 74 56.845 55.847 0.998 17414 1228 1 3 . 1 1 75 75 VAL N N 75 125.726 124.854 0.872 17414 1229 1 3 . 1 1 75 75 VAL HA H 75 4.754 4.642 0.112 17414 1230 1 3 . 1 1 75 75 VAL CA C 75 60.739 61.708 -0.969 17414 1231 1 3 . 1 1 75 75 VAL CB C 75 35.276 31.677 3.599 17414 1232 1 3 . 1 1 76 76 LEU N N 76 129.759 130.753 -0.994 17414 1233 1 3 . 1 1 76 76 LEU HA H 76 3.514 3.752 -0.238 17414 1234 1 3 . 1 1 76 76 LEU CA C 76 55.222 55.903 -0.681 17414 1235 1 3 . 1 1 76 76 LEU CB C 76 39.052 41.670 -2.618 17414 1236 1 3 . 1 1 77 77 THR N N 77 116.138 121.167 -5.029 17414 1237 1 3 . 1 1 77 77 THR HA H 77 5.295 4.789 0.506 17414 1238 1 3 . 1 1 77 77 THR CA C 77 59.543 61.083 -1.540 17414 1239 1 3 . 1 1 78 78 GLU N N 78 119.986 122.442 -2.456 17414 1240 1 3 . 1 1 78 78 GLU HA H 78 3.558 3.934 -0.376 17414 1241 1 3 . 1 1 78 78 GLU CA C 78 57.551 58.478 -0.927 17414 1242 1 3 . 1 1 78 78 GLU CB C 78 28.385 28.691 -0.306 17414 1243 1 3 . 1 1 79 79 TYR N N 79 117.251 118.111 -0.860 17414 1244 1 3 . 1 1 79 79 TYR HA H 79 4.749 4.560 0.189 17414 1245 1 3 . 1 1 79 79 TYR CA C 79 55.553 58.058 -2.505 17414 1246 1 3 . 1 1 79 79 TYR CB C 79 37.935 38.995 -1.060 17414 1247 1 3 . 1 1 80 80 GLY N N 80 106.884 107.253 -0.369 17414 1248 1 3 . 1 1 80 80 GLY CA C 80 42.757 44.589 -1.832 17414 1249 1 3 . 1 1 81 81 TRP N N 81 125.593 123.045 2.548 17414 1250 1 3 . 1 1 81 81 TRP HA H 81 4.884 4.958 -0.074 17414 1251 1 3 . 1 1 81 81 TRP CA C 81 57.790 57.646 0.144 17414 1252 1 3 . 1 1 81 81 TRP CB C 81 29.255 30.560 -1.305 17414 1253 1 3 . 1 1 82 82 ARG N N 82 124.625 122.825 1.800 17414 1254 1 3 . 1 1 82 82 ARG HA H 82 4.773 5.001 -0.228 17414 1255 1 3 . 1 1 82 82 ARG CA C 82 53.895 54.085 -0.190 17414 1256 1 3 . 1 1 83 83 ALA N N 83 125.891 127.347 -1.456 17414 1257 1 3 . 1 1 83 83 ALA HA H 83 4.293 4.424 -0.131 17414 1258 1 3 . 1 1 83 83 ALA CA C 83 51.686 52.570 -0.884 17414 1259 1 3 . 1 1 84 84 ALA N N 84 125.790 125.526 0.264 17414 1260 1 3 . 1 1 84 84 ALA HA H 84 3.930 4.033 -0.103 17414 1261 1 3 . 1 1 84 84 ALA CB C 84 17.269 18.503 -1.234 17414 1262 1 3 . 1 1 85 85 GLY N N 85 102.306 105.204 -2.898 17414 1263 1 3 . 1 1 86 86 GLU N N 86 117.564 118.076 -0.512 17414 1264 1 3 . 1 1 86 86 GLU HA H 86 4.414 4.408 0.006 17414 1265 1 3 . 1 1 86 86 GLU CA C 86 55.233 56.372 -1.139 17414 1266 1 3 . 1 1 86 86 GLU CB C 86 30.231 29.949 0.282 17414 1267 1 3 . 1 1 87 87 LEU N N 87 119.746 122.036 -2.290 17414 1268 1 3 . 1 1 87 87 LEU HA H 87 4.417 4.658 -0.241 17414 1269 1 3 . 1 1 87 87 LEU CA C 87 54.274 53.554 0.720 17414 1270 1 3 . 1 1 87 87 LEU CB C 87 41.471 43.639 -2.168 17414 1271 1 3 . 1 1 88 88 ARG N N 88 120.899 123.570 -2.671 17414 1272 1 3 . 1 1 88 88 ARG HA H 88 4.627 4.910 -0.283 17414 1273 1 3 . 1 1 88 88 ARG CA C 88 52.594 53.848 -1.254 17414 1274 1 3 . 1 1 89 89 LYS N N 89 119.795 124.033 -4.238 17414 1275 1 3 . 1 1 89 89 LYS HA H 89 3.669 4.054 -0.385 17414 1276 1 3 . 1 1 89 89 LYS CA C 89 57.770 57.929 -0.159 17414 1277 1 3 . 1 1 90 90 GLY N N 90 115.070 112.590 2.480 17414 1278 1 3 . 1 1 90 90 GLY CA C 90 44.499 45.350 -0.851 17414 1279 1 3 . 1 1 91 91 ASP N N 91 121.652 121.367 0.285 17414 1280 1 3 . 1 1 91 91 ASP HA H 91 4.716 4.768 -0.052 17414 1281 1 3 . 1 1 91 91 ASP CA C 91 55.866 54.177 1.689 17414 1282 1 3 . 1 1 92 92 ARG N N 92 117.826 123.490 -5.664 17414 1283 1 3 . 1 1 92 92 ARG HA H 92 5.241 5.083 0.158 17414 1284 1 3 . 1 1 92 92 ARG CA C 92 54.976 55.777 -0.801 17414 1285 1 3 . 1 1 92 92 ARG CB C 92 31.655 31.581 0.074 17414 1286 1 3 . 1 1 93 93 VAL N N 93 115.034 118.116 -3.082 17414 1287 1 3 . 1 1 93 93 VAL HA H 93 4.839 4.908 -0.069 17414 1288 1 3 . 1 1 93 93 VAL CA C 93 58.222 59.131 -0.909 17414 1289 1 3 . 1 1 94 94 ALA N N 94 126.192 124.457 1.735 17414 1290 1 3 . 1 1 94 94 ALA HA H 94 4.271 4.083 0.188 17414 1291 1 3 . 1 1 94 94 ALA CA C 94 50.975 51.556 -0.581 17414 1292 1 3 . 1 1 94 94 ALA CB C 94 18.748 18.765 -0.017 17414 1293 1 3 . 1 1 95 95 VAL N N 95 115.179 116.336 -1.157 17414 1294 1 3 . 1 1 95 95 VAL HA H 95 5.317 4.917 0.400 17414 1295 1 3 . 1 1 95 95 VAL CA C 95 57.154 58.751 -1.597 17414 1296 1 3 . 1 1 95 95 VAL CB C 95 35.186 35.524 -0.338 17414 1297 1 3 . 1 1 96 96 ARG N N 96 119.288 122.512 -3.224 17414 1298 1 3 . 1 1 96 96 ARG HA H 96 4.230 4.835 -0.605 17414 1299 1 3 . 1 1 96 96 ARG CA C 96 53.613 54.617 -1.004 17414 1300 1 3 . 1 1 96 96 ARG CB C 96 31.697 32.156 -0.459 17414 1301 1 3 . 1 1 97 97 ASP N N 97 131.180 125.876 5.304 17414 1302 1 3 . 1 1 97 97 ASP HA H 97 4.415 4.819 -0.404 17414 1303 1 3 . 1 1 97 97 ASP CA C 97 53.887 52.984 0.903 17414 1304 1 3 . 1 1 97 97 ASP CB C 97 42.723 42.204 0.519 17414 1305 1 3 . 1 1 98 98 VAL N N 98 126.152 125.597 0.555 17414 1306 1 3 . 1 1 98 98 VAL HA H 98 3.489 3.737 -0.248 17414 1307 1 3 . 1 1 98 98 VAL CA C 98 64.431 66.034 -1.603 17414 1308 1 3 . 1 1 98 98 VAL CB C 98 31.047 31.311 -0.264 17414 1309 1 3 . 1 1 99 99 GLU N N 99 118.883 120.761 -1.878 17414 1310 1 3 . 1 1 99 99 GLU HA H 99 4.127 4.059 0.068 17414 1311 1 3 . 1 1 99 99 GLU CA C 99 58.178 58.983 -0.805 17414 1312 1 3 . 1 1 99 99 GLU CB C 99 29.591 29.998 -0.407 17414 1313 1 3 . 1 1 100 100 THR N N 100 106.301 107.849 -1.548 17414 1314 1 3 . 1 1 100 100 THR HA H 100 4.316 4.387 -0.071 17414 1315 1 3 . 1 1 100 100 THR CA C 100 61.407 62.250 -0.843 17414 1316 1 3 . 1 1 100 100 THR CB C 100 70.856 70.529 0.327 17414 1317 1 3 . 1 1 101 101 GLY N N 101 111.204 111.892 -0.688 17414 1318 1 3 . 1 1 101 101 GLY CA C 101 45.284 45.519 -0.235 17414 1319 1 3 . 1 1 102 102 GLU N N 102 118.458 120.275 -1.817 17414 1320 1 3 . 1 1 102 102 GLU HA H 102 4.301 4.494 -0.193 17414 1321 1 3 . 1 1 102 102 GLU CA C 102 55.160 55.890 -0.730 17414 1322 1 3 . 1 1 102 102 GLU CB C 102 31.769 31.051 0.718 17414 1323 1 3 . 1 1 103 103 LEU N N 103 121.701 120.143 1.558 17414 1324 1 3 . 1 1 103 103 LEU HA H 103 4.716 4.863 -0.147 17414 1325 1 3 . 1 1 103 103 LEU CA C 103 54.930 53.649 1.281 17414 1326 1 3 . 1 1 103 103 LEU CB C 103 42.346 43.150 -0.804 17414 1327 1 3 . 1 1 104 104 ARG N N 104 127.157 119.533 7.624 17414 1328 1 3 . 1 1 104 104 ARG HA H 104 4.403 4.913 -0.510 17414 1329 1 3 . 1 1 104 104 ARG CA C 104 53.201 53.715 -0.514 17414 1330 1 3 . 1 1 104 104 ARG CB C 104 32.989 34.489 -1.500 17414 1331 1 3 . 1 1 105 105 TYR N N 105 116.202 117.963 -1.761 17414 1332 1 3 . 1 1 105 105 TYR HA H 105 5.490 5.636 -0.146 17414 1333 1 3 . 1 1 105 105 TYR CA C 105 56.831 56.539 0.292 17414 1334 1 3 . 1 1 105 105 TYR CB C 105 40.116 41.682 -1.566 17414 1335 1 3 . 1 1 106 106 SER N N 106 118.250 115.552 2.698 17414 1336 1 3 . 1 1 106 106 SER HA H 106 4.807 5.106 -0.299 17414 1337 1 3 . 1 1 106 106 SER CA C 106 55.888 57.517 -1.629 17414 1338 1 3 . 1 1 106 106 SER CB C 106 66.301 66.863 -0.562 17414 1339 1 3 . 1 1 107 107 VAL N N 107 122.160 122.828 -0.668 17414 1340 1 3 . 1 1 107 107 VAL HA H 107 4.423 4.511 -0.088 17414 1341 1 3 . 1 1 107 107 VAL CA C 107 61.369 61.142 0.227 17414 1342 1 3 . 1 1 107 107 VAL CB C 107 33.633 33.390 0.243 17414 1343 1 3 . 1 1 108 108 ILE N N 108 123.427 127.158 -3.731 17414 1344 1 3 . 1 1 108 108 ILE HA H 108 4.100 4.274 -0.174 17414 1345 1 3 . 1 1 108 108 ILE CA C 108 61.321 61.059 0.262 17414 1346 1 3 . 1 1 108 108 ILE CB C 108 37.408 38.539 -1.131 17414 1347 1 3 . 1 1 109 109 ARG N N 109 130.207 125.872 4.335 17414 1348 1 3 . 1 1 109 109 ARG HA H 109 4.254 4.478 -0.224 17414 1349 1 3 . 1 1 109 109 ARG CA C 109 55.904 57.152 -1.248 17414 1350 1 3 . 1 1 110 110 GLU N N 110 116.804 117.652 -0.848 17414 1351 1 3 . 1 1 110 110 GLU HA H 110 4.274 4.641 -0.367 17414 1352 1 3 . 1 1 110 110 GLU CA C 110 55.889 56.225 -0.336 17414 1353 1 3 . 1 1 110 110 GLU CB C 110 33.186 33.583 -0.397 17414 1354 1 3 . 1 1 111 111 VAL N N 111 125.709 126.946 -1.237 17414 1355 1 3 . 1 1 111 111 VAL HA H 111 4.709 4.571 0.138 17414 1356 1 3 . 1 1 111 111 VAL CA C 111 60.903 61.636 -0.733 17414 1357 1 3 . 1 1 111 111 VAL CB C 111 31.927 33.076 -1.149 17414 1358 1 3 . 1 1 112 112 LEU N N 112 132.638 128.313 4.325 17414 1359 1 3 . 1 1 112 112 LEU HA H 112 4.741 4.774 -0.033 17414 1360 1 3 . 1 1 112 112 LEU CA C 112 52.655 52.382 0.273 17414 1361 1 3 . 1 1 112 112 LEU CB C 112 40.998 41.792 -0.794 17414 1362 1 3 . 1 1 113 113 PRO HA H 113 4.532 4.610 -0.078 17414 1363 1 3 . 1 1 113 113 PRO CA C 113 61.916 62.220 -0.304 17414 1364 1 3 . 1 1 113 113 PRO CB C 113 32.608 32.793 -0.185 17414 1365 1 3 . 1 1 114 114 THR N N 114 112.542 112.476 0.066 17414 1366 1 3 . 1 1 114 114 THR HA H 114 4.973 4.714 0.259 17414 1367 1 3 . 1 1 114 114 THR CA C 114 61.865 61.466 0.399 17414 1368 1 3 . 1 1 114 114 THR CB C 114 69.345 70.307 -0.962 17414 1369 1 3 . 1 1 115 115 ARG N N 115 123.213 120.326 2.887 17414 1370 1 3 . 1 1 115 115 ARG HA H 115 4.694 5.010 -0.316 17414 1371 1 3 . 1 1 115 115 ARG CA C 115 54.302 54.481 -0.179 17414 1372 1 3 . 1 1 115 115 ARG CB C 115 32.684 33.934 -1.250 17414 1373 1 3 . 1 1 116 116 ARG N N 116 119.004 122.508 -3.504 17414 1374 1 3 . 1 1 116 116 ARG HA H 116 4.879 4.565 0.314 17414 1375 1 3 . 1 1 116 116 ARG CA C 116 54.554 56.545 -1.991 17414 1376 1 3 . 1 1 116 116 ARG CB C 116 30.285 30.547 -0.262 17414 1377 1 3 . 1 1 117 117 ALA N N 117 124.834 124.571 0.263 17414 1378 1 3 . 1 1 117 117 ALA HA H 117 4.599 4.775 -0.176 17414 1379 1 3 . 1 1 117 117 ALA CA C 117 50.434 51.022 -0.588 17414 1380 1 3 . 1 1 117 117 ALA CB C 117 23.139 22.826 0.313 17414 1381 1 3 . 1 1 118 118 ARG N N 118 120.885 119.154 1.731 17414 1382 1 3 . 1 1 118 118 ARG HA H 118 3.925 4.486 -0.561 17414 1383 1 3 . 1 1 118 118 ARG CA C 118 57.559 56.262 1.297 17414 1384 1 3 . 1 1 118 118 ARG CB C 118 30.409 31.137 -0.728 17414 1385 1 3 . 1 1 119 119 THR N N 119 111.492 113.137 -1.645 17414 1386 1 3 . 1 1 119 119 THR HA H 119 5.309 5.461 -0.152 17414 1387 1 3 . 1 1 119 119 THR CA C 119 60.071 59.361 0.710 17414 1388 1 3 . 1 1 119 119 THR CB C 119 72.737 71.684 1.053 17414 1389 1 3 . 1 1 120 120 PHE N N 120 113.949 120.040 -6.091 17414 1390 1 3 . 1 1 120 120 PHE HA H 120 5.311 5.362 -0.051 17414 1391 1 3 . 1 1 120 120 PHE CA C 120 57.898 56.209 1.689 17414 1392 1 3 . 1 1 120 120 PHE CB C 120 46.203 43.514 2.689 17414 1393 1 3 . 1 1 121 121 ASP N N 121 118.841 119.450 -0.609 17414 1394 1 3 . 1 1 121 121 ASP HA H 121 5.352 5.417 -0.065 17414 1395 1 3 . 1 1 121 121 ASP CA C 121 55.227 52.852 2.375 17414 1396 1 3 . 1 1 121 121 ASP CB C 121 47.673 44.964 2.709 17414 1397 1 3 . 1 1 122 122 LEU N N 122 118.637 122.434 -3.797 17414 1398 1 3 . 1 1 122 122 LEU HA H 122 4.809 5.091 -0.282 17414 1399 1 3 . 1 1 122 122 LEU CB C 122 45.915 46.122 -0.207 17414 1400 1 3 . 1 1 123 123 GLU N N 123 118.694 121.666 -2.972 17414 1401 1 3 . 1 1 123 123 GLU HA H 123 4.515 4.937 -0.422 17414 1402 1 3 . 1 1 123 123 GLU CA C 123 54.697 55.192 -0.495 17414 1403 1 3 . 1 1 124 124 VAL N N 124 129.259 126.805 2.454 17414 1404 1 3 . 1 1 124 124 VAL HA H 124 4.065 4.199 -0.134 17414 1405 1 3 . 1 1 124 124 VAL CA C 124 61.193 61.880 -0.687 17414 1406 1 3 . 1 1 124 124 VAL CB C 124 33.607 32.329 1.278 17414 1407 1 3 . 1 1 125 125 GLU N N 125 128.432 127.932 0.500 17414 1408 1 3 . 1 1 125 125 GLU HA H 125 3.672 3.819 -0.147 17414 1409 1 3 . 1 1 125 125 GLU CA C 125 58.494 58.114 0.380 17414 1410 1 3 . 1 1 125 125 GLU CB C 125 30.552 29.356 1.196 17414 1411 1 3 . 1 1 126 126 GLU N N 126 120.993 121.088 -0.095 17414 1412 1 3 . 1 1 126 126 GLU HA H 126 3.570 3.685 -0.115 17414 1413 1 3 . 1 1 126 126 GLU CA C 126 61.229 59.010 2.219 17414 1414 1 3 . 1 1 126 126 GLU CB C 126 29.621 28.029 1.592 17414 1415 1 3 . 1 1 127 127 LEU N N 127 120.945 119.730 1.215 17414 1416 1 3 . 1 1 127 127 LEU HA H 127 4.205 4.408 -0.203 17414 1417 1 3 . 1 1 127 127 LEU CA C 127 55.681 53.729 1.952 17414 1418 1 3 . 1 1 128 128 HIS HA H 128 4.584 4.724 -0.140 17414 1419 1 3 . 1 1 128 128 HIS CA C 128 54.566 56.122 -1.556 17414 1420 1 3 . 1 1 128 128 HIS CB C 128 26.062 29.125 -3.063 17414 1421 1 3 . 1 1 129 129 THR N N 129 105.639 114.527 -8.888 17414 1422 1 3 . 1 1 129 129 THR HA H 129 4.899 5.014 -0.115 17414 1423 1 3 . 1 1 129 129 THR CA C 129 58.380 61.067 -2.687 17414 1424 1 3 . 1 1 129 129 THR CB C 129 72.980 71.064 1.916 17414 1425 1 3 . 1 1 130 130 LEU N N 130 111.598 120.235 -8.637 17414 1426 1 3 . 1 1 130 130 LEU HA H 130 5.537 5.293 0.244 17414 1427 1 3 . 1 1 130 130 LEU CA C 130 54.683 53.787 0.896 17414 1428 1 3 . 1 1 130 130 LEU CB C 130 44.277 45.375 -1.098 17414 1429 1 3 . 1 1 131 131 VAL N N 131 119.670 120.864 -1.194 17414 1430 1 3 . 1 1 131 131 VAL HA H 131 4.830 4.677 0.153 17414 1431 1 3 . 1 1 131 131 VAL CA C 131 61.285 60.777 0.508 17414 1432 1 3 . 1 1 131 131 VAL CB C 131 30.272 33.042 -2.770 17414 1433 1 3 . 1 1 132 132 ALA N N 132 134.824 129.873 4.951 17414 1434 1 3 . 1 1 132 132 ALA HA H 132 4.931 4.900 0.031 17414 1435 1 3 . 1 1 132 132 ALA CA C 132 49.999 50.674 -0.675 17414 1436 1 3 . 1 1 132 132 ALA CB C 132 21.422 21.511 -0.089 17414 1437 1 3 . 1 1 133 133 GLU N N 133 118.979 124.785 -5.806 17414 1438 1 3 . 1 1 133 133 GLU HA H 133 3.826 4.065 -0.239 17414 1439 1 3 . 1 1 133 133 GLU CA C 133 57.065 57.693 -0.628 17414 1440 1 3 . 1 1 133 133 GLU CB C 133 26.406 28.300 -1.894 17414 1441 1 3 . 1 1 134 134 GLY N N 134 100.017 104.417 -4.400 17414 1442 1 3 . 1 1 134 134 GLY CA C 134 45.352 45.526 -0.174 17414 1443 1 3 . 1 1 135 135 VAL N N 135 122.381 121.729 0.652 17414 1444 1 3 . 1 1 135 135 VAL HA H 135 4.560 4.232 0.328 17414 1445 1 3 . 1 1 135 135 VAL CA C 135 60.885 61.866 -0.981 17414 1446 1 3 . 1 1 135 135 VAL CB C 135 32.542 32.942 -0.400 17414 1447 1 3 . 1 1 136 136 VAL N N 136 126.302 126.406 -0.104 17414 1448 1 3 . 1 1 136 136 VAL HA H 136 4.254 4.927 -0.673 17414 1449 1 3 . 1 1 136 136 VAL CA C 136 63.608 61.590 2.018 17414 1450 1 3 . 1 1 136 136 VAL CB C 136 30.519 32.829 -2.310 17414 1451 1 3 . 1 1 137 137 VAL N N 137 118.757 120.940 -2.183 17414 1452 1 3 . 1 1 137 137 VAL HA H 137 5.743 5.195 0.548 17414 1453 1 3 . 1 1 137 137 VAL CA C 137 58.252 59.964 -1.712 17414 1454 1 3 . 1 1 137 137 VAL CB C 137 36.378 35.831 0.547 17414 1455 1 3 . 1 1 138 138 HIS N N 138 120.902 120.580 0.322 17414 1456 1 3 . 1 1 138 138 HIS HA H 138 4.434 4.459 -0.025 17414 1457 1 3 . 1 1 138 138 HIS CA C 138 56.439 55.980 0.459 17414 1458 1 3 . 1 1 138 138 HIS CB C 138 30.583 30.288 0.295 17414 1459 1 4 . 1 1 2 2 LEU N N 2 122.945 123.064 -0.119 17414 1460 1 4 . 1 1 2 2 LEU HA H 2 5.005 4.915 0.090 17414 1461 1 4 . 1 1 2 2 LEU CA C 2 53.355 53.567 -0.212 17414 1462 1 4 . 1 1 2 2 LEU CB C 2 43.858 44.024 -0.166 17414 1463 1 4 . 1 1 3 3 ALA N N 3 121.232 126.980 -5.748 17414 1464 1 4 . 1 1 3 3 ALA HA H 3 4.730 4.634 0.096 17414 1465 1 4 . 1 1 3 3 ALA CA C 3 52.302 51.478 0.824 17414 1466 1 4 . 1 1 3 3 ALA CB C 3 21.769 20.011 1.758 17414 1467 1 4 . 1 1 4 4 GLU N N 4 121.283 121.863 -0.580 17414 1468 1 4 . 1 1 4 4 GLU HA H 4 4.074 4.108 -0.034 17414 1469 1 4 . 1 1 4 4 GLU CA C 4 57.136 58.523 -1.387 17414 1470 1 4 . 1 1 4 4 GLU CB C 4 31.847 29.530 2.317 17414 1471 1 4 . 1 1 5 5 GLY N N 5 119.858 115.110 4.748 17414 1472 1 4 . 1 1 5 5 GLY CA C 5 44.157 45.178 -1.021 17414 1473 1 4 . 1 1 6 6 THR N N 6 117.099 116.796 0.303 17414 1474 1 4 . 1 1 6 6 THR HA H 6 4.301 4.236 0.065 17414 1475 1 4 . 1 1 6 6 THR CA C 6 65.228 63.838 1.390 17414 1476 1 4 . 1 1 6 6 THR CB C 6 68.654 69.053 -0.399 17414 1477 1 4 . 1 1 7 7 ARG N N 7 130.107 127.387 2.720 17414 1478 1 4 . 1 1 7 7 ARG HA H 7 4.878 4.691 0.187 17414 1479 1 4 . 1 1 7 7 ARG CA C 7 55.868 56.114 -0.246 17414 1480 1 4 . 1 1 8 8 ILE N N 8 123.872 122.524 1.348 17414 1481 1 4 . 1 1 8 8 ILE HA H 8 4.531 4.684 -0.153 17414 1482 1 4 . 1 1 8 8 ILE CA C 8 59.240 60.497 -1.257 17414 1483 1 4 . 1 1 8 8 ILE CB C 8 40.450 40.598 -0.148 17414 1484 1 4 . 1 1 9 9 PHE N N 9 129.317 129.569 -0.252 17414 1485 1 4 . 1 1 9 9 PHE HA H 9 4.832 4.954 -0.122 17414 1486 1 4 . 1 1 9 9 PHE CA C 9 56.960 57.839 -0.879 17414 1487 1 4 . 1 1 9 9 PHE CB C 9 40.542 40.014 0.528 17414 1488 1 4 . 1 1 10 10 ASP N N 10 128.073 128.070 0.003 17414 1489 1 4 . 1 1 10 10 ASP HA H 10 5.529 5.118 0.411 17414 1490 1 4 . 1 1 10 10 ASP CA C 10 49.160 50.412 -1.252 17414 1491 1 4 . 1 1 10 10 ASP CB C 10 43.037 42.896 0.141 17414 1492 1 4 . 1 1 11 11 PRO HA H 11 3.974 4.641 -0.667 17414 1493 1 4 . 1 1 11 11 PRO CA C 11 62.348 64.841 -2.493 17414 1494 1 4 . 1 1 11 11 PRO CB C 11 30.977 32.297 -1.320 17414 1495 1 4 . 1 1 12 12 VAL N N 12 124.105 116.542 7.563 17414 1496 1 4 . 1 1 12 12 VAL HA H 12 3.591 3.747 -0.156 17414 1497 1 4 . 1 1 12 12 VAL CA C 12 64.849 65.457 -0.608 17414 1498 1 4 . 1 1 13 13 THR N N 13 107.133 114.134 -7.001 17414 1499 1 4 . 1 1 13 13 THR HA H 13 4.228 4.169 0.059 17414 1500 1 4 . 1 1 13 13 THR CA C 13 60.944 63.892 -2.948 17414 1501 1 4 . 1 1 13 13 THR CB C 13 69.447 69.243 0.204 17414 1502 1 4 . 1 1 14 14 GLY N N 14 112.897 109.205 3.692 17414 1503 1 4 . 1 1 14 14 GLY CA C 14 45.650 45.657 -0.007 17414 1504 1 4 . 1 1 15 15 THR N N 15 117.286 114.730 2.556 17414 1505 1 4 . 1 1 15 15 THR HA H 15 4.276 4.511 -0.235 17414 1506 1 4 . 1 1 15 15 THR CA C 15 61.382 59.042 2.340 17414 1507 1 4 . 1 1 15 15 THR CB C 15 70.037 70.694 -0.657 17414 1508 1 4 . 1 1 16 16 THR N N 16 120.518 117.919 2.599 17414 1509 1 4 . 1 1 16 16 THR HA H 16 4.911 4.628 0.283 17414 1510 1 4 . 1 1 16 16 THR CA C 16 62.321 61.803 0.518 17414 1511 1 4 . 1 1 16 16 THR CB C 16 69.184 69.353 -0.169 17414 1512 1 4 . 1 1 17 17 HIS N N 17 127.011 126.036 0.975 17414 1513 1 4 . 1 1 17 17 HIS HA H 17 4.586 5.124 -0.538 17414 1514 1 4 . 1 1 17 17 HIS CA C 17 54.406 54.417 -0.011 17414 1515 1 4 . 1 1 17 17 HIS CB C 17 35.299 32.262 3.037 17414 1516 1 4 . 1 1 18 18 ARG N N 18 120.890 124.286 -3.396 17414 1517 1 4 . 1 1 18 18 ARG HA H 18 4.679 4.664 0.015 17414 1518 1 4 . 1 1 18 18 ARG CA C 18 54.802 55.211 -0.409 17414 1519 1 4 . 1 1 18 18 ARG CB C 18 29.657 31.892 -2.235 17414 1520 1 4 . 1 1 19 19 ILE N N 19 125.005 128.177 -3.172 17414 1521 1 4 . 1 1 19 19 ILE HA H 19 3.696 3.865 -0.169 17414 1522 1 4 . 1 1 19 19 ILE CA C 19 66.021 64.064 1.957 17414 1523 1 4 . 1 1 19 19 ILE CB C 19 37.936 37.830 0.106 17414 1524 1 4 . 1 1 20 20 GLU N N 20 123.813 119.516 4.297 17414 1525 1 4 . 1 1 20 20 GLU HA H 20 2.787 3.631 -0.844 17414 1526 1 4 . 1 1 20 20 GLU CA C 20 57.675 58.847 -1.172 17414 1527 1 4 . 1 1 20 20 GLU CB C 20 28.945 29.076 -0.131 17414 1528 1 4 . 1 1 21 21 ASP N N 21 123.330 120.746 2.584 17414 1529 1 4 . 1 1 21 21 ASP HA H 21 4.489 4.343 0.146 17414 1530 1 4 . 1 1 21 21 ASP CA C 21 55.734 56.626 -0.892 17414 1531 1 4 . 1 1 21 21 ASP CB C 21 40.038 40.778 -0.740 17414 1532 1 4 . 1 1 22 22 VAL N N 22 121.407 119.588 1.819 17414 1533 1 4 . 1 1 22 22 VAL HA H 22 3.303 3.490 -0.187 17414 1534 1 4 . 1 1 22 22 VAL CA C 22 65.768 66.485 -0.717 17414 1535 1 4 . 1 1 22 22 VAL CB C 22 31.327 31.414 -0.087 17414 1536 1 4 . 1 1 23 23 VAL N N 23 116.800 120.383 -3.583 17414 1537 1 4 . 1 1 23 23 VAL HA H 23 3.928 3.672 0.256 17414 1538 1 4 . 1 1 23 23 VAL CA C 23 66.310 66.301 0.009 17414 1539 1 4 . 1 1 24 24 GLY N N 24 120.577 108.259 12.318 17414 1540 1 4 . 1 1 25 25 GLY N N 25 103.034 108.197 -5.163 17414 1541 1 4 . 1 1 25 25 GLY CA C 25 43.755 44.717 -0.962 17414 1542 1 4 . 1 1 26 26 ARG N N 26 122.306 115.109 7.197 17414 1543 1 4 . 1 1 26 26 ARG HA H 26 1.544 2.712 -1.168 17414 1544 1 4 . 1 1 26 26 ARG CA C 26 55.119 56.096 -0.977 17414 1545 1 4 . 1 1 26 26 ARG CB C 26 26.620 27.966 -1.346 17414 1546 1 4 . 1 1 27 27 LYS N N 27 115.887 118.969 -3.082 17414 1547 1 4 . 1 1 27 27 LYS HA H 27 4.168 4.494 -0.326 17414 1548 1 4 . 1 1 27 27 LYS CB C 27 33.503 32.321 1.182 17414 1549 1 4 . 1 1 28 28 PRO HA H 28 5.145 4.705 0.440 17414 1550 1 4 . 1 1 28 28 PRO CA C 28 61.507 63.561 -2.054 17414 1551 1 4 . 1 1 28 28 PRO CB C 28 27.787 31.825 -4.038 17414 1552 1 4 . 1 1 29 29 ILE N N 29 116.657 120.006 -3.349 17414 1553 1 4 . 1 1 29 29 ILE HA H 29 4.443 4.320 0.123 17414 1554 1 4 . 1 1 29 29 ILE CA C 29 60.723 62.126 -1.403 17414 1555 1 4 . 1 1 29 29 ILE CB C 29 38.563 38.439 0.124 17414 1556 1 4 . 1 1 30 30 HIS N N 30 118.274 120.452 -2.178 17414 1557 1 4 . 1 1 30 30 HIS HA H 30 5.152 5.300 -0.148 17414 1558 1 4 . 1 1 30 30 HIS CA C 30 55.902 53.995 1.907 17414 1559 1 4 . 1 1 30 30 HIS CB C 30 30.925 34.247 -3.322 17414 1560 1 4 . 1 1 31 31 VAL N N 31 107.262 115.805 -8.543 17414 1561 1 4 . 1 1 31 31 VAL HA H 31 5.212 4.944 0.268 17414 1562 1 4 . 1 1 31 31 VAL CA C 31 57.692 59.290 -1.598 17414 1563 1 4 . 1 1 31 31 VAL CB C 31 34.153 36.371 -2.218 17414 1564 1 4 . 1 1 32 32 VAL N N 32 119.900 122.763 -2.863 17414 1565 1 4 . 1 1 32 32 VAL HA H 32 4.246 4.532 -0.286 17414 1566 1 4 . 1 1 32 32 VAL CA C 32 62.504 62.356 0.148 17414 1567 1 4 . 1 1 33 33 ALA N N 33 128.967 130.390 -1.423 17414 1568 1 4 . 1 1 33 33 ALA HA H 33 4.522 5.315 -0.793 17414 1569 1 4 . 1 1 33 33 ALA CA C 33 49.594 50.508 -0.914 17414 1570 1 4 . 1 1 33 33 ALA CB C 33 23.635 22.564 1.071 17414 1571 1 4 . 1 1 34 34 ALA N N 34 121.236 120.693 0.543 17414 1572 1 4 . 1 1 34 34 ALA HA H 34 5.207 5.322 -0.115 17414 1573 1 4 . 1 1 34 34 ALA CA C 34 49.704 50.666 -0.962 17414 1574 1 4 . 1 1 35 35 ALA N N 35 125.943 122.963 2.980 17414 1575 1 4 . 1 1 35 35 ALA HA H 35 4.633 4.771 -0.138 17414 1576 1 4 . 1 1 35 35 ALA CA C 35 50.168 49.991 0.177 17414 1577 1 4 . 1 1 35 35 ALA CB C 35 20.121 21.729 -1.608 17414 1578 1 4 . 1 1 36 36 LYS N N 36 121.159 117.869 3.290 17414 1579 1 4 . 1 1 36 36 LYS HA H 36 4.272 4.149 0.123 17414 1580 1 4 . 1 1 36 36 LYS CA C 36 58.723 58.589 0.134 17414 1581 1 4 . 1 1 37 37 ASP N N 37 115.815 117.204 -1.389 17414 1582 1 4 . 1 1 37 37 ASP HA H 37 4.526 4.666 -0.140 17414 1583 1 4 . 1 1 37 37 ASP CA C 37 52.534 54.129 -1.595 17414 1584 1 4 . 1 1 37 37 ASP CB C 37 39.654 41.449 -1.795 17414 1585 1 4 . 1 1 38 38 GLY N N 38 107.649 107.527 0.122 17414 1586 1 4 . 1 1 38 38 GLY CA C 38 45.025 45.769 -0.744 17414 1587 1 4 . 1 1 39 39 THR N N 39 110.428 113.183 -2.755 17414 1588 1 4 . 1 1 39 39 THR HA H 39 4.265 4.299 -0.034 17414 1589 1 4 . 1 1 39 39 THR CA C 39 60.883 60.749 0.134 17414 1590 1 4 . 1 1 39 39 THR CB C 39 70.144 70.242 -0.098 17414 1591 1 4 . 1 1 40 40 LEU N N 40 120.829 125.713 -4.884 17414 1592 1 4 . 1 1 40 40 LEU HA H 40 5.312 4.969 0.343 17414 1593 1 4 . 1 1 40 40 LEU CA C 40 53.146 54.248 -1.102 17414 1594 1 4 . 1 1 40 40 LEU CB C 40 41.870 43.013 -1.143 17414 1595 1 4 . 1 1 41 41 HIS N N 41 120.175 120.739 -0.564 17414 1596 1 4 . 1 1 41 41 HIS HA H 41 4.622 5.012 -0.390 17414 1597 1 4 . 1 1 41 41 HIS CA C 41 54.675 54.828 -0.153 17414 1598 1 4 . 1 1 41 41 HIS CB C 41 35.374 33.530 1.844 17414 1599 1 4 . 1 1 42 42 ALA N N 42 125.084 125.814 -0.730 17414 1600 1 4 . 1 1 42 42 ALA HA H 42 5.530 4.507 1.023 17414 1601 1 4 . 1 1 42 42 ALA CA C 42 50.934 52.341 -1.407 17414 1602 1 4 . 1 1 42 42 ALA CB C 42 18.920 19.595 -0.675 17414 1603 1 4 . 1 1 43 43 ARG N N 43 124.440 121.871 2.569 17414 1604 1 4 . 1 1 43 43 ARG HA H 43 5.177 4.927 0.250 17414 1605 1 4 . 1 1 43 43 ARG CA C 43 50.736 52.741 -2.005 17414 1606 1 4 . 1 1 43 43 ARG CB C 43 35.105 33.087 2.018 17414 1607 1 4 . 1 1 44 44 PRO HA H 44 4.506 3.931 0.575 17414 1608 1 4 . 1 1 44 44 PRO CA C 44 61.661 62.017 -0.356 17414 1609 1 4 . 1 1 44 44 PRO CB C 44 32.437 32.179 0.258 17414 1610 1 4 . 1 1 45 45 VAL N N 45 119.113 121.103 -1.990 17414 1611 1 4 . 1 1 45 45 VAL HA H 45 4.195 4.235 -0.040 17414 1612 1 4 . 1 1 45 45 VAL CA C 45 61.770 61.512 0.258 17414 1613 1 4 . 1 1 45 45 VAL CB C 45 32.099 32.885 -0.786 17414 1614 1 4 . 1 1 46 46 VAL N N 46 114.811 119.560 -4.749 17414 1615 1 4 . 1 1 46 46 VAL HA H 46 4.117 4.358 -0.241 17414 1616 1 4 . 1 1 46 46 VAL CA C 46 59.689 60.677 -0.988 17414 1617 1 4 . 1 1 46 46 VAL CB C 46 33.207 33.220 -0.013 17414 1618 1 4 . 1 1 47 47 SER N N 47 113.271 114.155 -0.884 17414 1619 1 4 . 1 1 47 47 SER HA H 47 3.992 3.979 0.013 17414 1620 1 4 . 1 1 47 47 SER CA C 47 56.916 56.614 0.302 17414 1621 1 4 . 1 1 47 47 SER CB C 47 65.285 66.352 -1.067 17414 1622 1 4 . 1 1 48 48 TRP N N 48 120.998 122.797 -1.799 17414 1623 1 4 . 1 1 48 48 TRP HA H 48 4.518 5.112 -0.594 17414 1624 1 4 . 1 1 48 48 TRP CA C 48 58.275 56.031 2.244 17414 1625 1 4 . 1 1 48 48 TRP CB C 48 32.474 32.961 -0.487 17414 1626 1 4 . 1 1 49 49 PHE N N 49 120.098 121.256 -1.158 17414 1627 1 4 . 1 1 49 49 PHE HA H 49 5.159 5.087 0.072 17414 1628 1 4 . 1 1 49 49 PHE CA C 49 55.741 56.266 -0.525 17414 1629 1 4 . 1 1 49 49 PHE CB C 49 40.992 43.326 -2.334 17414 1630 1 4 . 1 1 50 50 ASP N N 50 127.259 121.718 5.541 17414 1631 1 4 . 1 1 50 50 ASP HA H 50 4.829 5.110 -0.281 17414 1632 1 4 . 1 1 50 50 ASP CA C 50 53.464 53.737 -0.273 17414 1633 1 4 . 1 1 50 50 ASP CB C 50 40.713 41.515 -0.802 17414 1634 1 4 . 1 1 51 51 GLN N N 51 123.758 121.498 2.260 17414 1635 1 4 . 1 1 51 51 GLN HA H 51 4.902 4.568 0.334 17414 1636 1 4 . 1 1 51 51 GLN CA C 51 55.613 55.671 -0.058 17414 1637 1 4 . 1 1 52 52 GLY N N 52 108.682 107.648 1.034 17414 1638 1 4 . 1 1 52 52 GLY CA C 52 44.063 44.465 -0.402 17414 1639 1 4 . 1 1 53 53 THR N N 53 118.925 115.998 2.927 17414 1640 1 4 . 1 1 53 53 THR HA H 53 4.734 4.672 0.062 17414 1641 1 4 . 1 1 53 53 THR CA C 53 62.734 63.288 -0.554 17414 1642 1 4 . 1 1 53 53 THR CB C 53 67.881 69.485 -1.604 17414 1643 1 4 . 1 1 54 54 ARG N N 54 125.981 124.444 1.537 17414 1644 1 4 . 1 1 54 54 ARG HA H 54 4.677 4.897 -0.220 17414 1645 1 4 . 1 1 54 54 ARG CA C 54 53.580 54.044 -0.464 17414 1646 1 4 . 1 1 54 54 ARG CB C 54 35.619 34.375 1.244 17414 1647 1 4 . 1 1 55 55 ASP N N 55 119.621 120.903 -1.282 17414 1648 1 4 . 1 1 55 55 ASP HA H 55 4.973 5.453 -0.480 17414 1649 1 4 . 1 1 55 55 ASP CA C 55 54.236 54.360 -0.124 17414 1650 1 4 . 1 1 55 55 ASP CB C 55 40.704 41.603 -0.899 17414 1651 1 4 . 1 1 56 56 VAL N N 56 114.565 118.403 -3.838 17414 1652 1 4 . 1 1 56 56 VAL HA H 56 4.804 4.980 -0.176 17414 1653 1 4 . 1 1 56 56 VAL CA C 56 58.672 59.126 -0.454 17414 1654 1 4 . 1 1 56 56 VAL CB C 56 34.813 35.814 -1.001 17414 1655 1 4 . 1 1 57 57 ILE N N 57 114.855 120.657 -5.802 17414 1656 1 4 . 1 1 57 57 ILE HA H 57 4.740 5.028 -0.288 17414 1657 1 4 . 1 1 57 57 ILE CA C 57 58.799 59.470 -0.671 17414 1658 1 4 . 1 1 57 57 ILE CB C 57 41.197 40.122 1.075 17414 1659 1 4 . 1 1 58 58 GLY N N 58 107.378 109.242 -1.864 17414 1660 1 4 . 1 1 58 58 GLY CA C 58 43.036 43.240 -0.204 17414 1661 1 4 . 1 1 59 59 LEU N N 59 124.061 124.453 -0.392 17414 1662 1 4 . 1 1 59 59 LEU HA H 59 4.677 4.718 -0.041 17414 1663 1 4 . 1 1 59 59 LEU CA C 59 52.282 53.923 -1.641 17414 1664 1 4 . 1 1 59 59 LEU CB C 59 42.668 43.615 -0.947 17414 1665 1 4 . 1 1 60 60 ARG N N 60 124.178 125.188 -1.010 17414 1666 1 4 . 1 1 60 60 ARG HA H 60 4.799 4.761 0.038 17414 1667 1 4 . 1 1 61 61 ILE N N 61 128.222 127.462 0.760 17414 1668 1 4 . 1 1 61 61 ILE HA H 61 4.492 4.544 -0.052 17414 1669 1 4 . 1 1 61 61 ILE CA C 61 58.741 59.792 -1.051 17414 1670 1 4 . 1 1 61 61 ILE CB C 61 37.622 39.671 -2.049 17414 1671 1 4 . 1 1 62 62 ALA N N 62 128.005 131.200 -3.195 17414 1672 1 4 . 1 1 62 62 ALA HA H 62 4.108 3.989 0.119 17414 1673 1 4 . 1 1 62 62 ALA CA C 62 54.129 53.375 0.754 17414 1674 1 4 . 1 1 62 62 ALA CB C 62 18.002 17.954 0.048 17414 1675 1 4 . 1 1 63 63 GLY CA C 63 44.912 45.543 -0.631 17414 1676 1 4 . 1 1 64 64 GLY N N 64 107.906 108.401 -0.495 17414 1677 1 4 . 1 1 64 64 GLY CA C 64 44.751 46.210 -1.459 17414 1678 1 4 . 1 1 65 65 ALA N N 65 125.759 123.810 1.949 17414 1679 1 4 . 1 1 65 65 ALA HA H 65 4.394 4.656 -0.262 17414 1680 1 4 . 1 1 65 65 ALA CA C 65 51.764 51.344 0.420 17414 1681 1 4 . 1 1 65 65 ALA CB C 65 19.458 21.307 -1.849 17414 1682 1 4 . 1 1 66 66 ILE N N 66 118.136 118.545 -0.409 17414 1683 1 4 . 1 1 66 66 ILE HA H 66 4.705 5.079 -0.374 17414 1684 1 4 . 1 1 66 66 ILE CA C 66 59.670 59.794 -0.124 17414 1685 1 4 . 1 1 66 66 ILE CB C 66 40.415 41.970 -1.555 17414 1686 1 4 . 1 1 67 67 LEU N N 67 127.715 126.179 1.536 17414 1687 1 4 . 1 1 67 67 LEU HA H 67 4.728 5.003 -0.275 17414 1688 1 4 . 1 1 67 67 LEU CA C 67 53.331 53.467 -0.136 17414 1689 1 4 . 1 1 67 67 LEU CB C 67 44.102 45.713 -1.611 17414 1690 1 4 . 1 1 68 68 TRP N N 68 129.332 128.214 1.118 17414 1691 1 4 . 1 1 68 68 TRP HA H 68 5.672 5.403 0.269 17414 1692 1 4 . 1 1 68 68 TRP CA C 68 54.812 56.135 -1.323 17414 1693 1 4 . 1 1 68 68 TRP CB C 68 29.742 31.257 -1.515 17414 1694 1 4 . 1 1 69 69 ALA N N 69 124.233 122.822 1.411 17414 1695 1 4 . 1 1 69 69 ALA HA H 69 5.243 4.895 0.348 17414 1696 1 4 . 1 1 69 69 ALA CA C 69 49.203 51.180 -1.977 17414 1697 1 4 . 1 1 69 69 ALA CB C 69 22.138 23.416 -1.278 17414 1698 1 4 . 1 1 70 70 THR N N 70 111.459 110.961 0.498 17414 1699 1 4 . 1 1 70 70 THR HA H 70 5.152 4.899 0.253 17414 1700 1 4 . 1 1 70 70 THR CA C 70 60.495 60.300 0.195 17414 1701 1 4 . 1 1 70 70 THR CB C 70 67.570 69.051 -1.481 17414 1702 1 4 . 1 1 71 71 PRO HA H 71 4.165 4.558 -0.393 17414 1703 1 4 . 1 1 71 71 PRO CA C 71 64.390 64.879 -0.489 17414 1704 1 4 . 1 1 72 72 ASP N N 72 112.234 117.312 -5.078 17414 1705 1 4 . 1 1 72 72 ASP HA H 72 4.505 4.743 -0.238 17414 1706 1 4 . 1 1 72 72 ASP CA C 72 52.827 54.265 -1.438 17414 1707 1 4 . 1 1 73 73 HIS N N 73 125.389 121.223 4.166 17414 1708 1 4 . 1 1 73 73 HIS HA H 73 3.796 4.482 -0.686 17414 1709 1 4 . 1 1 73 73 HIS CA C 73 58.310 56.764 1.546 17414 1710 1 4 . 1 1 73 73 HIS CB C 73 32.385 30.416 1.969 17414 1711 1 4 . 1 1 74 74 LYS N N 74 127.412 125.931 1.481 17414 1712 1 4 . 1 1 74 74 LYS HA H 74 4.661 4.747 -0.086 17414 1713 1 4 . 1 1 74 74 LYS CA C 74 56.845 56.265 0.580 17414 1714 1 4 . 1 1 75 75 VAL N N 75 125.726 119.489 6.237 17414 1715 1 4 . 1 1 75 75 VAL HA H 75 4.754 5.142 -0.388 17414 1716 1 4 . 1 1 75 75 VAL CA C 75 60.739 60.494 0.245 17414 1717 1 4 . 1 1 75 75 VAL CB C 75 35.276 33.771 1.505 17414 1718 1 4 . 1 1 76 76 LEU N N 76 129.759 127.520 2.239 17414 1719 1 4 . 1 1 76 76 LEU HA H 76 3.514 4.157 -0.643 17414 1720 1 4 . 1 1 76 76 LEU CA C 76 55.222 54.114 1.108 17414 1721 1 4 . 1 1 76 76 LEU CB C 76 39.052 42.370 -3.318 17414 1722 1 4 . 1 1 77 77 THR N N 77 116.138 120.966 -4.828 17414 1723 1 4 . 1 1 77 77 THR HA H 77 5.295 4.761 0.534 17414 1724 1 4 . 1 1 77 77 THR CA C 77 59.543 61.047 -1.504 17414 1725 1 4 . 1 1 78 78 GLU N N 78 119.986 122.543 -2.557 17414 1726 1 4 . 1 1 78 78 GLU HA H 78 3.558 3.851 -0.293 17414 1727 1 4 . 1 1 78 78 GLU CA C 78 57.551 58.454 -0.903 17414 1728 1 4 . 1 1 78 78 GLU CB C 78 28.385 28.624 -0.239 17414 1729 1 4 . 1 1 79 79 TYR N N 79 117.251 118.040 -0.789 17414 1730 1 4 . 1 1 79 79 TYR HA H 79 4.749 4.570 0.179 17414 1731 1 4 . 1 1 79 79 TYR CA C 79 55.553 58.061 -2.508 17414 1732 1 4 . 1 1 79 79 TYR CB C 79 37.935 39.034 -1.099 17414 1733 1 4 . 1 1 80 80 GLY N N 80 106.884 107.315 -0.431 17414 1734 1 4 . 1 1 80 80 GLY CA C 80 42.757 44.451 -1.694 17414 1735 1 4 . 1 1 81 81 TRP N N 81 125.593 123.008 2.585 17414 1736 1 4 . 1 1 81 81 TRP HA H 81 4.884 5.281 -0.397 17414 1737 1 4 . 1 1 81 81 TRP CA C 81 57.790 57.247 0.543 17414 1738 1 4 . 1 1 81 81 TRP CB C 81 29.255 31.013 -1.758 17414 1739 1 4 . 1 1 82 82 ARG N N 82 124.625 122.014 2.611 17414 1740 1 4 . 1 1 82 82 ARG HA H 82 4.773 5.039 -0.266 17414 1741 1 4 . 1 1 82 82 ARG CA C 82 53.895 53.897 -0.002 17414 1742 1 4 . 1 1 83 83 ALA N N 83 125.891 125.014 0.877 17414 1743 1 4 . 1 1 83 83 ALA HA H 83 4.293 4.459 -0.166 17414 1744 1 4 . 1 1 83 83 ALA CA C 83 51.686 52.569 -0.883 17414 1745 1 4 . 1 1 84 84 ALA N N 84 125.790 126.378 -0.588 17414 1746 1 4 . 1 1 84 84 ALA HA H 84 3.930 4.040 -0.110 17414 1747 1 4 . 1 1 84 84 ALA CB C 84 17.269 18.523 -1.254 17414 1748 1 4 . 1 1 85 85 GLY N N 85 102.306 105.357 -3.051 17414 1749 1 4 . 1 1 86 86 GLU N N 86 117.564 118.126 -0.562 17414 1750 1 4 . 1 1 86 86 GLU HA H 86 4.414 4.431 -0.017 17414 1751 1 4 . 1 1 86 86 GLU CA C 86 55.233 56.348 -1.115 17414 1752 1 4 . 1 1 86 86 GLU CB C 86 30.231 30.581 -0.350 17414 1753 1 4 . 1 1 87 87 LEU N N 87 119.746 122.073 -2.327 17414 1754 1 4 . 1 1 87 87 LEU HA H 87 4.417 4.218 0.199 17414 1755 1 4 . 1 1 87 87 LEU CA C 87 54.274 55.355 -1.081 17414 1756 1 4 . 1 1 87 87 LEU CB C 87 41.471 42.230 -0.759 17414 1757 1 4 . 1 1 88 88 ARG N N 88 120.899 124.475 -3.576 17414 1758 1 4 . 1 1 88 88 ARG HA H 88 4.627 4.986 -0.359 17414 1759 1 4 . 1 1 88 88 ARG CA C 88 52.594 54.033 -1.439 17414 1760 1 4 . 1 1 89 89 LYS N N 89 119.795 125.889 -6.094 17414 1761 1 4 . 1 1 89 89 LYS HA H 89 3.669 4.052 -0.383 17414 1762 1 4 . 1 1 89 89 LYS CA C 89 57.770 57.740 0.030 17414 1763 1 4 . 1 1 90 90 GLY N N 90 115.070 112.437 2.633 17414 1764 1 4 . 1 1 90 90 GLY CA C 90 44.499 45.399 -0.900 17414 1765 1 4 . 1 1 91 91 ASP N N 91 121.652 121.726 -0.074 17414 1766 1 4 . 1 1 91 91 ASP HA H 91 4.716 4.679 0.037 17414 1767 1 4 . 1 1 91 91 ASP CA C 91 55.866 54.814 1.052 17414 1768 1 4 . 1 1 92 92 ARG N N 92 117.826 123.402 -5.576 17414 1769 1 4 . 1 1 92 92 ARG HA H 92 5.241 5.063 0.178 17414 1770 1 4 . 1 1 92 92 ARG CA C 92 54.976 55.709 -0.733 17414 1771 1 4 . 1 1 92 92 ARG CB C 92 31.655 31.770 -0.115 17414 1772 1 4 . 1 1 93 93 VAL N N 93 115.034 118.451 -3.417 17414 1773 1 4 . 1 1 93 93 VAL HA H 93 4.839 4.905 -0.066 17414 1774 1 4 . 1 1 93 93 VAL CA C 93 58.222 59.126 -0.904 17414 1775 1 4 . 1 1 94 94 ALA N N 94 126.192 124.828 1.364 17414 1776 1 4 . 1 1 94 94 ALA HA H 94 4.271 3.326 0.945 17414 1777 1 4 . 1 1 94 94 ALA CA C 94 50.975 51.794 -0.819 17414 1778 1 4 . 1 1 94 94 ALA CB C 94 18.748 18.726 0.022 17414 1779 1 4 . 1 1 95 95 VAL N N 95 115.179 116.450 -1.271 17414 1780 1 4 . 1 1 95 95 VAL HA H 95 5.317 4.892 0.425 17414 1781 1 4 . 1 1 95 95 VAL CA C 95 57.154 58.817 -1.663 17414 1782 1 4 . 1 1 95 95 VAL CB C 95 35.186 35.564 -0.378 17414 1783 1 4 . 1 1 96 96 ARG N N 96 119.288 122.424 -3.136 17414 1784 1 4 . 1 1 96 96 ARG HA H 96 4.230 4.795 -0.565 17414 1785 1 4 . 1 1 96 96 ARG CA C 96 53.613 54.572 -0.959 17414 1786 1 4 . 1 1 96 96 ARG CB C 96 31.697 32.422 -0.725 17414 1787 1 4 . 1 1 97 97 ASP N N 97 131.180 125.937 5.243 17414 1788 1 4 . 1 1 97 97 ASP HA H 97 4.415 4.808 -0.393 17414 1789 1 4 . 1 1 97 97 ASP CA C 97 53.887 52.945 0.942 17414 1790 1 4 . 1 1 97 97 ASP CB C 97 42.723 42.255 0.468 17414 1791 1 4 . 1 1 98 98 VAL N N 98 126.152 126.353 -0.201 17414 1792 1 4 . 1 1 98 98 VAL HA H 98 3.489 3.898 -0.409 17414 1793 1 4 . 1 1 98 98 VAL CA C 98 64.431 64.311 0.120 17414 1794 1 4 . 1 1 98 98 VAL CB C 98 31.047 31.806 -0.759 17414 1795 1 4 . 1 1 99 99 GLU N N 99 118.883 121.650 -2.767 17414 1796 1 4 . 1 1 99 99 GLU HA H 99 4.127 4.065 0.062 17414 1797 1 4 . 1 1 99 99 GLU CA C 99 58.178 59.018 -0.840 17414 1798 1 4 . 1 1 99 99 GLU CB C 99 29.591 30.025 -0.434 17414 1799 1 4 . 1 1 100 100 THR N N 100 106.301 107.830 -1.529 17414 1800 1 4 . 1 1 100 100 THR HA H 100 4.316 4.395 -0.079 17414 1801 1 4 . 1 1 100 100 THR CA C 100 61.407 62.174 -0.767 17414 1802 1 4 . 1 1 100 100 THR CB C 100 70.856 70.623 0.233 17414 1803 1 4 . 1 1 101 101 GLY N N 101 111.204 111.854 -0.650 17414 1804 1 4 . 1 1 101 101 GLY CA C 101 45.284 45.479 -0.195 17414 1805 1 4 . 1 1 102 102 GLU N N 102 118.458 120.608 -2.150 17414 1806 1 4 . 1 1 102 102 GLU HA H 102 4.301 4.370 -0.069 17414 1807 1 4 . 1 1 102 102 GLU CA C 102 55.160 56.231 -1.071 17414 1808 1 4 . 1 1 102 102 GLU CB C 102 31.769 31.056 0.713 17414 1809 1 4 . 1 1 103 103 LEU N N 103 121.701 124.396 -2.695 17414 1810 1 4 . 1 1 103 103 LEU HA H 103 4.716 4.768 -0.052 17414 1811 1 4 . 1 1 103 103 LEU CA C 103 54.930 54.927 0.003 17414 1812 1 4 . 1 1 103 103 LEU CB C 103 42.346 42.773 -0.427 17414 1813 1 4 . 1 1 104 104 ARG N N 104 127.157 125.196 1.961 17414 1814 1 4 . 1 1 104 104 ARG HA H 104 4.403 4.927 -0.524 17414 1815 1 4 . 1 1 104 104 ARG CA C 104 53.201 53.691 -0.490 17414 1816 1 4 . 1 1 104 104 ARG CB C 104 32.989 34.065 -1.076 17414 1817 1 4 . 1 1 105 105 TYR N N 105 116.202 117.819 -1.617 17414 1818 1 4 . 1 1 105 105 TYR HA H 105 5.490 5.464 0.026 17414 1819 1 4 . 1 1 105 105 TYR CA C 105 56.831 56.697 0.134 17414 1820 1 4 . 1 1 105 105 TYR CB C 105 40.116 42.699 -2.583 17414 1821 1 4 . 1 1 106 106 SER N N 106 118.250 115.112 3.138 17414 1822 1 4 . 1 1 106 106 SER HA H 106 4.807 5.131 -0.324 17414 1823 1 4 . 1 1 106 106 SER CA C 106 55.888 57.608 -1.720 17414 1824 1 4 . 1 1 106 106 SER CB C 106 66.301 66.908 -0.607 17414 1825 1 4 . 1 1 107 107 VAL N N 107 122.160 121.686 0.474 17414 1826 1 4 . 1 1 107 107 VAL HA H 107 4.423 4.570 -0.147 17414 1827 1 4 . 1 1 107 107 VAL CA C 107 61.369 60.995 0.374 17414 1828 1 4 . 1 1 107 107 VAL CB C 107 33.633 33.285 0.348 17414 1829 1 4 . 1 1 108 108 ILE N N 108 123.427 125.485 -2.058 17414 1830 1 4 . 1 1 108 108 ILE HA H 108 4.100 4.141 -0.041 17414 1831 1 4 . 1 1 108 108 ILE CA C 108 61.321 61.429 -0.108 17414 1832 1 4 . 1 1 108 108 ILE CB C 108 37.408 37.209 0.199 17414 1833 1 4 . 1 1 109 109 ARG N N 109 130.207 127.667 2.540 17414 1834 1 4 . 1 1 109 109 ARG HA H 109 4.254 4.264 -0.010 17414 1835 1 4 . 1 1 109 109 ARG CA C 109 55.904 57.947 -2.043 17414 1836 1 4 . 1 1 110 110 GLU N N 110 116.804 117.467 -0.663 17414 1837 1 4 . 1 1 110 110 GLU HA H 110 4.274 4.629 -0.355 17414 1838 1 4 . 1 1 110 110 GLU CA C 110 55.889 56.113 -0.224 17414 1839 1 4 . 1 1 110 110 GLU CB C 110 33.186 33.461 -0.275 17414 1840 1 4 . 1 1 111 111 VAL N N 111 125.709 125.640 0.069 17414 1841 1 4 . 1 1 111 111 VAL HA H 111 4.709 4.573 0.136 17414 1842 1 4 . 1 1 111 111 VAL CA C 111 60.903 60.437 0.466 17414 1843 1 4 . 1 1 111 111 VAL CB C 111 31.927 33.934 -2.007 17414 1844 1 4 . 1 1 112 112 LEU N N 112 132.638 129.921 2.717 17414 1845 1 4 . 1 1 112 112 LEU HA H 112 4.741 4.789 -0.048 17414 1846 1 4 . 1 1 112 112 LEU CA C 112 52.655 51.976 0.679 17414 1847 1 4 . 1 1 112 112 LEU CB C 112 40.998 42.011 -1.013 17414 1848 1 4 . 1 1 113 113 PRO HA H 113 4.532 4.612 -0.080 17414 1849 1 4 . 1 1 113 113 PRO CA C 113 61.916 62.219 -0.303 17414 1850 1 4 . 1 1 113 113 PRO CB C 113 32.608 32.687 -0.079 17414 1851 1 4 . 1 1 114 114 THR N N 114 112.542 113.341 -0.799 17414 1852 1 4 . 1 1 114 114 THR HA H 114 4.973 4.366 0.607 17414 1853 1 4 . 1 1 114 114 THR CA C 114 61.865 61.768 0.097 17414 1854 1 4 . 1 1 114 114 THR CB C 114 69.345 69.897 -0.552 17414 1855 1 4 . 1 1 115 115 ARG N N 115 123.213 122.763 0.450 17414 1856 1 4 . 1 1 115 115 ARG HA H 115 4.694 4.789 -0.095 17414 1857 1 4 . 1 1 115 115 ARG CA C 115 54.302 54.330 -0.028 17414 1858 1 4 . 1 1 115 115 ARG CB C 115 32.684 33.182 -0.498 17414 1859 1 4 . 1 1 116 116 ARG N N 116 119.004 119.660 -0.656 17414 1860 1 4 . 1 1 116 116 ARG HA H 116 4.879 5.154 -0.275 17414 1861 1 4 . 1 1 116 116 ARG CA C 116 54.554 54.610 -0.056 17414 1862 1 4 . 1 1 116 116 ARG CB C 116 30.285 33.728 -3.443 17414 1863 1 4 . 1 1 117 117 ALA N N 117 124.834 123.148 1.686 17414 1864 1 4 . 1 1 117 117 ALA HA H 117 4.599 4.737 -0.138 17414 1865 1 4 . 1 1 117 117 ALA CA C 117 50.434 51.152 -0.718 17414 1866 1 4 . 1 1 117 117 ALA CB C 117 23.139 22.589 0.550 17414 1867 1 4 . 1 1 118 118 ARG N N 118 120.885 119.187 1.698 17414 1868 1 4 . 1 1 118 118 ARG HA H 118 3.925 4.519 -0.594 17414 1869 1 4 . 1 1 118 118 ARG CA C 118 57.559 56.356 1.203 17414 1870 1 4 . 1 1 118 118 ARG CB C 118 30.409 31.159 -0.750 17414 1871 1 4 . 1 1 119 119 THR N N 119 111.492 112.972 -1.480 17414 1872 1 4 . 1 1 119 119 THR HA H 119 5.309 5.333 -0.024 17414 1873 1 4 . 1 1 119 119 THR CA C 119 60.071 59.485 0.586 17414 1874 1 4 . 1 1 119 119 THR CB C 119 72.737 71.724 1.013 17414 1875 1 4 . 1 1 120 120 PHE N N 120 113.949 120.026 -6.077 17414 1876 1 4 . 1 1 120 120 PHE HA H 120 5.311 5.387 -0.076 17414 1877 1 4 . 1 1 120 120 PHE CA C 120 57.898 56.236 1.662 17414 1878 1 4 . 1 1 120 120 PHE CB C 120 46.203 43.551 2.652 17414 1879 1 4 . 1 1 121 121 ASP N N 121 118.841 119.369 -0.528 17414 1880 1 4 . 1 1 121 121 ASP HA H 121 5.352 5.424 -0.072 17414 1881 1 4 . 1 1 121 121 ASP CA C 121 55.227 53.037 2.190 17414 1882 1 4 . 1 1 121 121 ASP CB C 121 47.673 45.302 2.371 17414 1883 1 4 . 1 1 122 122 LEU N N 122 118.637 121.912 -3.275 17414 1884 1 4 . 1 1 122 122 LEU HA H 122 4.809 5.062 -0.253 17414 1885 1 4 . 1 1 122 122 LEU CB C 122 45.915 46.442 -0.527 17414 1886 1 4 . 1 1 123 123 GLU N N 123 118.694 121.827 -3.133 17414 1887 1 4 . 1 1 123 123 GLU HA H 123 4.515 4.935 -0.420 17414 1888 1 4 . 1 1 123 123 GLU CA C 123 54.697 55.152 -0.455 17414 1889 1 4 . 1 1 124 124 VAL N N 124 129.259 127.568 1.691 17414 1890 1 4 . 1 1 124 124 VAL HA H 124 4.065 4.061 0.004 17414 1891 1 4 . 1 1 124 124 VAL CA C 124 61.193 62.372 -1.179 17414 1892 1 4 . 1 1 124 124 VAL CB C 124 33.607 31.200 2.407 17414 1893 1 4 . 1 1 125 125 GLU N N 125 128.432 128.024 0.408 17414 1894 1 4 . 1 1 125 125 GLU HA H 125 3.672 4.079 -0.407 17414 1895 1 4 . 1 1 125 125 GLU CA C 125 58.494 59.661 -1.167 17414 1896 1 4 . 1 1 125 125 GLU CB C 125 30.552 29.408 1.144 17414 1897 1 4 . 1 1 126 126 GLU N N 126 120.993 120.997 -0.004 17414 1898 1 4 . 1 1 126 126 GLU HA H 126 3.570 4.175 -0.605 17414 1899 1 4 . 1 1 126 126 GLU CA C 126 61.229 57.050 4.179 17414 1900 1 4 . 1 1 126 126 GLU CB C 126 29.621 32.775 -3.154 17414 1901 1 4 . 1 1 127 127 LEU N N 127 120.945 118.790 2.155 17414 1902 1 4 . 1 1 127 127 LEU HA H 127 4.205 4.179 0.026 17414 1903 1 4 . 1 1 127 127 LEU CA C 127 55.681 56.163 -0.482 17414 1904 1 4 . 1 1 128 128 HIS HA H 128 4.584 4.131 0.453 17414 1905 1 4 . 1 1 128 128 HIS CA C 128 54.566 56.246 -1.680 17414 1906 1 4 . 1 1 128 128 HIS CB C 128 26.062 27.901 -1.839 17414 1907 1 4 . 1 1 129 129 THR N N 129 105.639 111.034 -5.395 17414 1908 1 4 . 1 1 129 129 THR HA H 129 4.899 4.823 0.076 17414 1909 1 4 . 1 1 129 129 THR CA C 129 58.380 61.209 -2.829 17414 1910 1 4 . 1 1 129 129 THR CB C 129 72.980 70.974 2.006 17414 1911 1 4 . 1 1 130 130 LEU N N 130 111.598 120.852 -9.254 17414 1912 1 4 . 1 1 130 130 LEU HA H 130 5.537 5.300 0.237 17414 1913 1 4 . 1 1 130 130 LEU CA C 130 54.683 53.753 0.930 17414 1914 1 4 . 1 1 130 130 LEU CB C 130 44.277 45.539 -1.262 17414 1915 1 4 . 1 1 131 131 VAL N N 131 119.670 120.887 -1.217 17414 1916 1 4 . 1 1 131 131 VAL HA H 131 4.830 4.969 -0.139 17414 1917 1 4 . 1 1 131 131 VAL CA C 131 61.285 61.162 0.123 17414 1918 1 4 . 1 1 131 131 VAL CB C 131 30.272 32.980 -2.708 17414 1919 1 4 . 1 1 132 132 ALA N N 132 134.824 129.631 5.193 17414 1920 1 4 . 1 1 132 132 ALA HA H 132 4.931 4.887 0.044 17414 1921 1 4 . 1 1 132 132 ALA CA C 132 49.999 50.673 -0.674 17414 1922 1 4 . 1 1 132 132 ALA CB C 132 21.422 21.503 -0.081 17414 1923 1 4 . 1 1 133 133 GLU N N 133 118.979 125.032 -6.053 17414 1924 1 4 . 1 1 133 133 GLU HA H 133 3.826 4.075 -0.249 17414 1925 1 4 . 1 1 133 133 GLU CA C 133 57.065 57.721 -0.656 17414 1926 1 4 . 1 1 133 133 GLU CB C 133 26.406 28.316 -1.910 17414 1927 1 4 . 1 1 134 134 GLY N N 134 100.017 104.496 -4.479 17414 1928 1 4 . 1 1 134 134 GLY CA C 134 45.352 46.416 -1.064 17414 1929 1 4 . 1 1 135 135 VAL N N 135 122.381 119.676 2.705 17414 1930 1 4 . 1 1 135 135 VAL HA H 135 4.560 4.683 -0.123 17414 1931 1 4 . 1 1 135 135 VAL CA C 135 60.885 60.370 0.515 17414 1932 1 4 . 1 1 135 135 VAL CB C 135 32.542 35.485 -2.943 17414 1933 1 4 . 1 1 136 136 VAL N N 136 126.302 126.244 0.058 17414 1934 1 4 . 1 1 136 136 VAL HA H 136 4.254 4.728 -0.474 17414 1935 1 4 . 1 1 136 136 VAL CA C 136 63.608 61.589 2.019 17414 1936 1 4 . 1 1 136 136 VAL CB C 136 30.519 32.632 -2.113 17414 1937 1 4 . 1 1 137 137 VAL N N 137 118.757 120.873 -2.116 17414 1938 1 4 . 1 1 137 137 VAL HA H 137 5.743 5.199 0.544 17414 1939 1 4 . 1 1 137 137 VAL CA C 137 58.252 59.740 -1.488 17414 1940 1 4 . 1 1 137 137 VAL CB C 137 36.378 35.829 0.549 17414 1941 1 4 . 1 1 138 138 HIS N N 138 120.902 124.104 -3.202 17414 1942 1 4 . 1 1 138 138 HIS HA H 138 4.434 4.279 0.155 17414 1943 1 4 . 1 1 138 138 HIS CA C 138 56.439 57.422 -0.983 17414 1944 1 4 . 1 1 138 138 HIS CB C 138 30.583 29.997 0.586 17414 1945 1 5 . 1 1 2 2 LEU N N 2 122.945 125.930 -2.985 17414 1946 1 5 . 1 1 2 2 LEU HA H 2 5.005 4.767 0.238 17414 1947 1 5 . 1 1 2 2 LEU CA C 2 53.355 53.502 -0.147 17414 1948 1 5 . 1 1 2 2 LEU CB C 2 43.858 43.548 0.310 17414 1949 1 5 . 1 1 3 3 ALA N N 3 121.232 126.657 -5.425 17414 1950 1 5 . 1 1 3 3 ALA HA H 3 4.730 4.775 -0.045 17414 1951 1 5 . 1 1 3 3 ALA CA C 3 52.302 51.346 0.956 17414 1952 1 5 . 1 1 3 3 ALA CB C 3 21.769 20.246 1.523 17414 1953 1 5 . 1 1 4 4 GLU N N 4 121.283 121.870 -0.587 17414 1954 1 5 . 1 1 4 4 GLU HA H 4 4.074 4.097 -0.023 17414 1955 1 5 . 1 1 4 4 GLU CA C 4 57.136 58.509 -1.373 17414 1956 1 5 . 1 1 4 4 GLU CB C 4 31.847 29.414 2.433 17414 1957 1 5 . 1 1 5 5 GLY N N 5 119.858 115.139 4.719 17414 1958 1 5 . 1 1 5 5 GLY CA C 5 44.157 45.160 -1.003 17414 1959 1 5 . 1 1 6 6 THR N N 6 117.099 116.524 0.575 17414 1960 1 5 . 1 1 6 6 THR HA H 6 4.301 4.234 0.067 17414 1961 1 5 . 1 1 6 6 THR CA C 6 65.228 63.857 1.371 17414 1962 1 5 . 1 1 6 6 THR CB C 6 68.654 69.149 -0.495 17414 1963 1 5 . 1 1 7 7 ARG N N 7 130.107 127.269 2.838 17414 1964 1 5 . 1 1 7 7 ARG HA H 7 4.878 4.708 0.170 17414 1965 1 5 . 1 1 7 7 ARG CA C 7 55.868 56.115 -0.247 17414 1966 1 5 . 1 1 8 8 ILE N N 8 123.872 122.212 1.660 17414 1967 1 5 . 1 1 8 8 ILE HA H 8 4.531 4.695 -0.164 17414 1968 1 5 . 1 1 8 8 ILE CA C 8 59.240 60.509 -1.269 17414 1969 1 5 . 1 1 8 8 ILE CB C 8 40.450 40.350 0.100 17414 1970 1 5 . 1 1 9 9 PHE N N 9 129.317 129.588 -0.271 17414 1971 1 5 . 1 1 9 9 PHE HA H 9 4.832 5.013 -0.181 17414 1972 1 5 . 1 1 9 9 PHE CA C 9 56.960 57.944 -0.984 17414 1973 1 5 . 1 1 9 9 PHE CB C 9 40.542 39.612 0.930 17414 1974 1 5 . 1 1 10 10 ASP N N 10 128.073 128.104 -0.031 17414 1975 1 5 . 1 1 10 10 ASP HA H 10 5.529 4.916 0.613 17414 1976 1 5 . 1 1 10 10 ASP CA C 10 49.160 50.100 -0.940 17414 1977 1 5 . 1 1 10 10 ASP CB C 10 43.037 42.427 0.610 17414 1978 1 5 . 1 1 11 11 PRO HA H 11 3.974 4.335 -0.361 17414 1979 1 5 . 1 1 11 11 PRO CA C 11 62.348 64.643 -2.295 17414 1980 1 5 . 1 1 11 11 PRO CB C 11 30.977 32.216 -1.239 17414 1981 1 5 . 1 1 12 12 VAL N N 12 124.105 116.447 7.658 17414 1982 1 5 . 1 1 12 12 VAL HA H 12 3.591 3.697 -0.106 17414 1983 1 5 . 1 1 12 12 VAL CA C 12 64.849 65.541 -0.692 17414 1984 1 5 . 1 1 13 13 THR N N 13 107.133 109.398 -2.265 17414 1985 1 5 . 1 1 13 13 THR HA H 13 4.228 4.247 -0.019 17414 1986 1 5 . 1 1 13 13 THR CA C 13 60.944 62.967 -2.023 17414 1987 1 5 . 1 1 13 13 THR CB C 13 69.447 70.308 -0.861 17414 1988 1 5 . 1 1 14 14 GLY N N 14 112.897 111.613 1.284 17414 1989 1 5 . 1 1 14 14 GLY CA C 14 45.650 45.569 0.081 17414 1990 1 5 . 1 1 15 15 THR N N 15 117.286 115.777 1.509 17414 1991 1 5 . 1 1 15 15 THR HA H 15 4.276 4.879 -0.603 17414 1992 1 5 . 1 1 15 15 THR CA C 15 61.382 60.929 0.453 17414 1993 1 5 . 1 1 15 15 THR CB C 15 70.037 70.927 -0.890 17414 1994 1 5 . 1 1 16 16 THR N N 16 120.518 116.949 3.569 17414 1995 1 5 . 1 1 16 16 THR HA H 16 4.911 5.124 -0.213 17414 1996 1 5 . 1 1 16 16 THR CA C 16 62.321 61.631 0.690 17414 1997 1 5 . 1 1 16 16 THR CB C 16 69.184 70.006 -0.822 17414 1998 1 5 . 1 1 17 17 HIS N N 17 127.011 125.412 1.599 17414 1999 1 5 . 1 1 17 17 HIS HA H 17 4.586 5.136 -0.550 17414 2000 1 5 . 1 1 17 17 HIS CA C 17 54.406 54.478 -0.072 17414 2001 1 5 . 1 1 17 17 HIS CB C 17 35.299 32.531 2.768 17414 2002 1 5 . 1 1 18 18 ARG N N 18 120.890 121.617 -0.727 17414 2003 1 5 . 1 1 18 18 ARG HA H 18 4.679 4.460 0.219 17414 2004 1 5 . 1 1 18 18 ARG CA C 18 54.802 55.259 -0.457 17414 2005 1 5 . 1 1 18 18 ARG CB C 18 29.657 31.788 -2.131 17414 2006 1 5 . 1 1 19 19 ILE N N 19 125.005 126.559 -1.554 17414 2007 1 5 . 1 1 19 19 ILE HA H 19 3.696 3.842 -0.146 17414 2008 1 5 . 1 1 19 19 ILE CA C 19 66.021 64.077 1.944 17414 2009 1 5 . 1 1 19 19 ILE CB C 19 37.936 37.822 0.114 17414 2010 1 5 . 1 1 20 20 GLU N N 20 123.813 119.285 4.528 17414 2011 1 5 . 1 1 20 20 GLU HA H 20 2.787 3.632 -0.845 17414 2012 1 5 . 1 1 20 20 GLU CA C 20 57.675 58.850 -1.175 17414 2013 1 5 . 1 1 20 20 GLU CB C 20 28.945 28.916 0.029 17414 2014 1 5 . 1 1 21 21 ASP N N 21 123.330 120.770 2.560 17414 2015 1 5 . 1 1 21 21 ASP HA H 21 4.489 4.343 0.146 17414 2016 1 5 . 1 1 21 21 ASP CA C 21 55.734 56.637 -0.903 17414 2017 1 5 . 1 1 21 21 ASP CB C 21 40.038 40.628 -0.590 17414 2018 1 5 . 1 1 22 22 VAL N N 22 121.407 119.851 1.556 17414 2019 1 5 . 1 1 22 22 VAL HA H 22 3.303 3.488 -0.185 17414 2020 1 5 . 1 1 22 22 VAL CA C 22 65.768 66.427 -0.659 17414 2021 1 5 . 1 1 22 22 VAL CB C 22 31.327 31.483 -0.156 17414 2022 1 5 . 1 1 23 23 VAL N N 23 116.800 120.287 -3.487 17414 2023 1 5 . 1 1 23 23 VAL HA H 23 3.928 3.583 0.345 17414 2024 1 5 . 1 1 23 23 VAL CA C 23 66.310 66.289 0.021 17414 2025 1 5 . 1 1 24 24 GLY N N 24 120.577 108.428 12.149 17414 2026 1 5 . 1 1 25 25 GLY N N 25 103.034 107.785 -4.751 17414 2027 1 5 . 1 1 25 25 GLY CA C 25 43.755 45.016 -1.261 17414 2028 1 5 . 1 1 26 26 ARG N N 26 122.306 116.436 5.870 17414 2029 1 5 . 1 1 26 26 ARG HA H 26 1.544 2.818 -1.274 17414 2030 1 5 . 1 1 26 26 ARG CA C 26 55.119 55.851 -0.732 17414 2031 1 5 . 1 1 26 26 ARG CB C 26 26.620 27.151 -0.531 17414 2032 1 5 . 1 1 27 27 LYS N N 27 115.887 119.684 -3.797 17414 2033 1 5 . 1 1 27 27 LYS HA H 27 4.168 4.748 -0.580 17414 2034 1 5 . 1 1 27 27 LYS CB C 27 33.503 34.677 -1.174 17414 2035 1 5 . 1 1 28 28 PRO HA H 28 5.145 4.661 0.484 17414 2036 1 5 . 1 1 28 28 PRO CA C 28 61.507 62.350 -0.843 17414 2037 1 5 . 1 1 28 28 PRO CB C 28 27.787 29.697 -1.910 17414 2038 1 5 . 1 1 29 29 ILE N N 29 116.657 121.430 -4.773 17414 2039 1 5 . 1 1 29 29 ILE HA H 29 4.443 4.017 0.426 17414 2040 1 5 . 1 1 29 29 ILE CA C 29 60.723 61.420 -0.697 17414 2041 1 5 . 1 1 29 29 ILE CB C 29 38.563 37.824 0.739 17414 2042 1 5 . 1 1 30 30 HIS N N 30 118.274 119.790 -1.516 17414 2043 1 5 . 1 1 30 30 HIS HA H 30 5.152 4.880 0.272 17414 2044 1 5 . 1 1 30 30 HIS CA C 30 55.902 57.567 -1.665 17414 2045 1 5 . 1 1 30 30 HIS CB C 30 30.925 28.990 1.935 17414 2046 1 5 . 1 1 31 31 VAL N N 31 107.262 118.300 -11.038 17414 2047 1 5 . 1 1 31 31 VAL HA H 31 5.212 4.717 0.495 17414 2048 1 5 . 1 1 31 31 VAL CA C 31 57.692 59.320 -1.628 17414 2049 1 5 . 1 1 31 31 VAL CB C 31 34.153 36.384 -2.231 17414 2050 1 5 . 1 1 32 32 VAL N N 32 119.900 122.867 -2.967 17414 2051 1 5 . 1 1 32 32 VAL HA H 32 4.246 4.528 -0.282 17414 2052 1 5 . 1 1 32 32 VAL CA C 32 62.504 62.324 0.180 17414 2053 1 5 . 1 1 33 33 ALA N N 33 128.967 129.954 -0.987 17414 2054 1 5 . 1 1 33 33 ALA HA H 33 4.522 5.307 -0.785 17414 2055 1 5 . 1 1 33 33 ALA CA C 33 49.594 50.132 -0.538 17414 2056 1 5 . 1 1 33 33 ALA CB C 33 23.635 22.660 0.975 17414 2057 1 5 . 1 1 34 34 ALA N N 34 121.236 120.973 0.263 17414 2058 1 5 . 1 1 34 34 ALA HA H 34 5.207 5.284 -0.077 17414 2059 1 5 . 1 1 34 34 ALA CA C 34 49.704 50.377 -0.673 17414 2060 1 5 . 1 1 35 35 ALA N N 35 125.943 123.970 1.973 17414 2061 1 5 . 1 1 35 35 ALA HA H 35 4.633 4.738 -0.105 17414 2062 1 5 . 1 1 35 35 ALA CA C 35 50.168 49.959 0.209 17414 2063 1 5 . 1 1 35 35 ALA CB C 35 20.121 21.709 -1.588 17414 2064 1 5 . 1 1 36 36 LYS N N 36 121.159 118.195 2.964 17414 2065 1 5 . 1 1 36 36 LYS HA H 36 4.272 4.110 0.162 17414 2066 1 5 . 1 1 36 36 LYS CA C 36 58.723 58.743 -0.020 17414 2067 1 5 . 1 1 37 37 ASP N N 37 115.815 117.067 -1.252 17414 2068 1 5 . 1 1 37 37 ASP HA H 37 4.526 4.607 -0.081 17414 2069 1 5 . 1 1 37 37 ASP CA C 37 52.534 54.170 -1.636 17414 2070 1 5 . 1 1 37 37 ASP CB C 37 39.654 41.188 -1.534 17414 2071 1 5 . 1 1 38 38 GLY N N 38 107.649 106.542 1.107 17414 2072 1 5 . 1 1 38 38 GLY CA C 38 45.025 45.090 -0.065 17414 2073 1 5 . 1 1 39 39 THR N N 39 110.428 112.867 -2.439 17414 2074 1 5 . 1 1 39 39 THR HA H 39 4.265 4.289 -0.024 17414 2075 1 5 . 1 1 39 39 THR CA C 39 60.883 61.983 -1.100 17414 2076 1 5 . 1 1 39 39 THR CB C 39 70.144 70.685 -0.541 17414 2077 1 5 . 1 1 40 40 LEU N N 40 120.829 124.027 -3.198 17414 2078 1 5 . 1 1 40 40 LEU HA H 40 5.312 5.423 -0.111 17414 2079 1 5 . 1 1 40 40 LEU CA C 40 53.146 53.727 -0.581 17414 2080 1 5 . 1 1 40 40 LEU CB C 40 41.870 43.365 -1.495 17414 2081 1 5 . 1 1 41 41 HIS N N 41 120.175 120.526 -0.351 17414 2082 1 5 . 1 1 41 41 HIS HA H 41 4.622 5.001 -0.379 17414 2083 1 5 . 1 1 41 41 HIS CA C 41 54.675 54.768 -0.093 17414 2084 1 5 . 1 1 41 41 HIS CB C 41 35.374 33.581 1.793 17414 2085 1 5 . 1 1 42 42 ALA N N 42 125.084 125.940 -0.856 17414 2086 1 5 . 1 1 42 42 ALA HA H 42 5.530 4.657 0.873 17414 2087 1 5 . 1 1 42 42 ALA CA C 42 50.934 52.241 -1.307 17414 2088 1 5 . 1 1 42 42 ALA CB C 42 18.920 19.786 -0.866 17414 2089 1 5 . 1 1 43 43 ARG N N 43 124.440 120.287 4.153 17414 2090 1 5 . 1 1 43 43 ARG HA H 43 5.177 4.713 0.464 17414 2091 1 5 . 1 1 43 43 ARG CA C 43 50.736 52.504 -1.768 17414 2092 1 5 . 1 1 43 43 ARG CB C 43 35.105 33.746 1.359 17414 2093 1 5 . 1 1 44 44 PRO HA H 44 4.506 4.688 -0.182 17414 2094 1 5 . 1 1 44 44 PRO CA C 44 61.661 62.180 -0.519 17414 2095 1 5 . 1 1 44 44 PRO CB C 44 32.437 32.533 -0.096 17414 2096 1 5 . 1 1 45 45 VAL N N 45 119.113 120.474 -1.361 17414 2097 1 5 . 1 1 45 45 VAL HA H 45 4.195 4.148 0.047 17414 2098 1 5 . 1 1 45 45 VAL CA C 45 61.770 61.885 -0.115 17414 2099 1 5 . 1 1 45 45 VAL CB C 45 32.099 32.718 -0.619 17414 2100 1 5 . 1 1 46 46 VAL N N 46 114.811 125.820 -11.009 17414 2101 1 5 . 1 1 46 46 VAL HA H 46 4.117 4.277 -0.160 17414 2102 1 5 . 1 1 46 46 VAL CA C 46 59.689 62.041 -2.352 17414 2103 1 5 . 1 1 46 46 VAL CB C 46 33.207 33.142 0.065 17414 2104 1 5 . 1 1 47 47 SER N N 47 113.271 113.711 -0.440 17414 2105 1 5 . 1 1 47 47 SER HA H 47 3.992 4.184 -0.192 17414 2106 1 5 . 1 1 47 47 SER CA C 47 56.916 56.493 0.423 17414 2107 1 5 . 1 1 47 47 SER CB C 47 65.285 65.106 0.179 17414 2108 1 5 . 1 1 48 48 TRP N N 48 120.998 125.478 -4.480 17414 2109 1 5 . 1 1 48 48 TRP HA H 48 4.518 5.412 -0.894 17414 2110 1 5 . 1 1 48 48 TRP CA C 48 58.275 56.108 2.167 17414 2111 1 5 . 1 1 48 48 TRP CB C 48 32.474 32.381 0.093 17414 2112 1 5 . 1 1 49 49 PHE N N 49 120.098 121.629 -1.531 17414 2113 1 5 . 1 1 49 49 PHE HA H 49 5.159 5.083 0.076 17414 2114 1 5 . 1 1 49 49 PHE CA C 49 55.741 56.249 -0.508 17414 2115 1 5 . 1 1 49 49 PHE CB C 49 40.992 43.447 -2.455 17414 2116 1 5 . 1 1 50 50 ASP N N 50 127.259 123.731 3.528 17414 2117 1 5 . 1 1 50 50 ASP HA H 50 4.829 5.026 -0.197 17414 2118 1 5 . 1 1 50 50 ASP CA C 50 53.464 53.680 -0.216 17414 2119 1 5 . 1 1 50 50 ASP CB C 50 40.713 41.943 -1.230 17414 2120 1 5 . 1 1 51 51 GLN N N 51 123.758 123.149 0.609 17414 2121 1 5 . 1 1 51 51 GLN HA H 51 4.902 4.572 0.330 17414 2122 1 5 . 1 1 51 51 GLN CA C 51 55.613 55.586 0.027 17414 2123 1 5 . 1 1 52 52 GLY N N 52 108.682 107.632 1.050 17414 2124 1 5 . 1 1 52 52 GLY CA C 52 44.063 44.381 -0.318 17414 2125 1 5 . 1 1 53 53 THR N N 53 118.925 115.910 3.015 17414 2126 1 5 . 1 1 53 53 THR HA H 53 4.734 5.029 -0.295 17414 2127 1 5 . 1 1 53 53 THR CA C 53 62.734 62.509 0.225 17414 2128 1 5 . 1 1 53 53 THR CB C 53 67.881 69.686 -1.805 17414 2129 1 5 . 1 1 54 54 ARG N N 54 125.981 124.250 1.731 17414 2130 1 5 . 1 1 54 54 ARG HA H 54 4.677 4.895 -0.218 17414 2131 1 5 . 1 1 54 54 ARG CA C 54 53.580 53.821 -0.241 17414 2132 1 5 . 1 1 54 54 ARG CB C 54 35.619 34.409 1.210 17414 2133 1 5 . 1 1 55 55 ASP N N 55 119.621 121.381 -1.760 17414 2134 1 5 . 1 1 55 55 ASP HA H 55 4.973 5.065 -0.092 17414 2135 1 5 . 1 1 55 55 ASP CA C 55 54.236 54.161 0.075 17414 2136 1 5 . 1 1 55 55 ASP CB C 55 40.704 41.186 -0.482 17414 2137 1 5 . 1 1 56 56 VAL N N 56 114.565 118.340 -3.775 17414 2138 1 5 . 1 1 56 56 VAL HA H 56 4.804 4.959 -0.155 17414 2139 1 5 . 1 1 56 56 VAL CA C 56 58.672 59.105 -0.433 17414 2140 1 5 . 1 1 56 56 VAL CB C 56 34.813 35.842 -1.029 17414 2141 1 5 . 1 1 57 57 ILE N N 57 114.855 121.344 -6.489 17414 2142 1 5 . 1 1 57 57 ILE HA H 57 4.740 4.983 -0.243 17414 2143 1 5 . 1 1 57 57 ILE CA C 57 58.799 59.330 -0.531 17414 2144 1 5 . 1 1 57 57 ILE CB C 57 41.197 40.476 0.721 17414 2145 1 5 . 1 1 58 58 GLY N N 58 107.378 109.249 -1.871 17414 2146 1 5 . 1 1 58 58 GLY CA C 58 43.036 43.509 -0.473 17414 2147 1 5 . 1 1 59 59 LEU N N 59 124.061 124.671 -0.610 17414 2148 1 5 . 1 1 59 59 LEU HA H 59 4.677 4.743 -0.066 17414 2149 1 5 . 1 1 59 59 LEU CA C 59 52.282 53.783 -1.501 17414 2150 1 5 . 1 1 59 59 LEU CB C 59 42.668 43.815 -1.147 17414 2151 1 5 . 1 1 60 60 ARG N N 60 124.178 125.097 -0.919 17414 2152 1 5 . 1 1 60 60 ARG HA H 60 4.799 4.675 0.124 17414 2153 1 5 . 1 1 61 61 ILE N N 61 128.222 127.962 0.260 17414 2154 1 5 . 1 1 61 61 ILE HA H 61 4.492 4.480 0.012 17414 2155 1 5 . 1 1 61 61 ILE CA C 61 58.741 60.207 -1.466 17414 2156 1 5 . 1 1 61 61 ILE CB C 61 37.622 38.304 -0.682 17414 2157 1 5 . 1 1 62 62 ALA N N 62 128.005 131.895 -3.890 17414 2158 1 5 . 1 1 62 62 ALA HA H 62 4.108 3.991 0.117 17414 2159 1 5 . 1 1 62 62 ALA CA C 62 54.129 53.298 0.831 17414 2160 1 5 . 1 1 62 62 ALA CB C 62 18.002 17.945 0.057 17414 2161 1 5 . 1 1 63 63 GLY CA C 63 44.912 45.465 -0.553 17414 2162 1 5 . 1 1 64 64 GLY N N 64 107.906 108.309 -0.403 17414 2163 1 5 . 1 1 64 64 GLY CA C 64 44.751 46.545 -1.794 17414 2164 1 5 . 1 1 65 65 ALA N N 65 125.759 122.813 2.946 17414 2165 1 5 . 1 1 65 65 ALA HA H 65 4.394 4.735 -0.341 17414 2166 1 5 . 1 1 65 65 ALA CA C 65 51.764 51.369 0.395 17414 2167 1 5 . 1 1 65 65 ALA CB C 65 19.458 21.660 -2.202 17414 2168 1 5 . 1 1 66 66 ILE N N 66 118.136 118.783 -0.647 17414 2169 1 5 . 1 1 66 66 ILE HA H 66 4.705 4.998 -0.293 17414 2170 1 5 . 1 1 66 66 ILE CA C 66 59.670 59.809 -0.139 17414 2171 1 5 . 1 1 66 66 ILE CB C 66 40.415 41.793 -1.378 17414 2172 1 5 . 1 1 67 67 LEU N N 67 127.715 126.492 1.223 17414 2173 1 5 . 1 1 67 67 LEU HA H 67 4.728 5.056 -0.328 17414 2174 1 5 . 1 1 67 67 LEU CA C 67 53.331 53.275 0.056 17414 2175 1 5 . 1 1 67 67 LEU CB C 67 44.102 45.562 -1.460 17414 2176 1 5 . 1 1 68 68 TRP N N 68 129.332 128.474 0.858 17414 2177 1 5 . 1 1 68 68 TRP HA H 68 5.672 5.412 0.260 17414 2178 1 5 . 1 1 68 68 TRP CA C 68 54.812 55.835 -1.023 17414 2179 1 5 . 1 1 68 68 TRP CB C 68 29.742 30.700 -0.958 17414 2180 1 5 . 1 1 69 69 ALA N N 69 124.233 125.280 -1.047 17414 2181 1 5 . 1 1 69 69 ALA HA H 69 5.243 5.013 0.230 17414 2182 1 5 . 1 1 69 69 ALA CA C 69 49.203 50.855 -1.652 17414 2183 1 5 . 1 1 69 69 ALA CB C 69 22.138 23.780 -1.642 17414 2184 1 5 . 1 1 70 70 THR N N 70 111.459 110.989 0.470 17414 2185 1 5 . 1 1 70 70 THR HA H 70 5.152 4.850 0.302 17414 2186 1 5 . 1 1 70 70 THR CA C 70 60.495 60.348 0.147 17414 2187 1 5 . 1 1 70 70 THR CB C 70 67.570 68.973 -1.403 17414 2188 1 5 . 1 1 71 71 PRO HA H 71 4.165 4.503 -0.338 17414 2189 1 5 . 1 1 71 71 PRO CA C 71 64.390 64.948 -0.558 17414 2190 1 5 . 1 1 72 72 ASP N N 72 112.234 117.301 -5.067 17414 2191 1 5 . 1 1 72 72 ASP HA H 72 4.505 4.745 -0.240 17414 2192 1 5 . 1 1 72 72 ASP CA C 72 52.827 54.321 -1.494 17414 2193 1 5 . 1 1 73 73 HIS N N 73 125.389 121.059 4.330 17414 2194 1 5 . 1 1 73 73 HIS HA H 73 3.796 4.894 -1.098 17414 2195 1 5 . 1 1 73 73 HIS CA C 73 58.310 56.728 1.582 17414 2196 1 5 . 1 1 73 73 HIS CB C 73 32.385 30.639 1.746 17414 2197 1 5 . 1 1 74 74 LYS N N 74 127.412 125.709 1.703 17414 2198 1 5 . 1 1 74 74 LYS HA H 74 4.661 4.536 0.125 17414 2199 1 5 . 1 1 74 74 LYS CA C 74 56.845 55.645 1.200 17414 2200 1 5 . 1 1 75 75 VAL N N 75 125.726 124.587 1.139 17414 2201 1 5 . 1 1 75 75 VAL HA H 75 4.754 4.535 0.219 17414 2202 1 5 . 1 1 75 75 VAL CA C 75 60.739 61.720 -0.981 17414 2203 1 5 . 1 1 75 75 VAL CB C 75 35.276 31.324 3.952 17414 2204 1 5 . 1 1 76 76 LEU N N 76 129.759 130.291 -0.532 17414 2205 1 5 . 1 1 76 76 LEU HA H 76 3.514 3.725 -0.211 17414 2206 1 5 . 1 1 76 76 LEU CA C 76 55.222 55.954 -0.732 17414 2207 1 5 . 1 1 76 76 LEU CB C 76 39.052 41.907 -2.855 17414 2208 1 5 . 1 1 77 77 THR N N 77 116.138 117.672 -1.534 17414 2209 1 5 . 1 1 77 77 THR HA H 77 5.295 4.810 0.485 17414 2210 1 5 . 1 1 77 77 THR CA C 77 59.543 60.199 -0.656 17414 2211 1 5 . 1 1 78 78 GLU N N 78 119.986 119.574 0.412 17414 2212 1 5 . 1 1 78 78 GLU HA H 78 3.558 3.879 -0.321 17414 2213 1 5 . 1 1 78 78 GLU CA C 78 57.551 58.227 -0.676 17414 2214 1 5 . 1 1 78 78 GLU CB C 78 28.385 28.740 -0.355 17414 2215 1 5 . 1 1 79 79 TYR N N 79 117.251 118.200 -0.949 17414 2216 1 5 . 1 1 79 79 TYR HA H 79 4.749 4.559 0.190 17414 2217 1 5 . 1 1 79 79 TYR CA C 79 55.553 58.082 -2.529 17414 2218 1 5 . 1 1 79 79 TYR CB C 79 37.935 39.035 -1.100 17414 2219 1 5 . 1 1 80 80 GLY N N 80 106.884 107.429 -0.545 17414 2220 1 5 . 1 1 80 80 GLY CA C 80 42.757 44.298 -1.541 17414 2221 1 5 . 1 1 81 81 TRP N N 81 125.593 122.977 2.616 17414 2222 1 5 . 1 1 81 81 TRP HA H 81 4.884 5.044 -0.160 17414 2223 1 5 . 1 1 81 81 TRP CA C 81 57.790 57.100 0.690 17414 2224 1 5 . 1 1 81 81 TRP CB C 81 29.255 31.054 -1.799 17414 2225 1 5 . 1 1 82 82 ARG N N 82 124.625 122.048 2.577 17414 2226 1 5 . 1 1 82 82 ARG HA H 82 4.773 4.967 -0.194 17414 2227 1 5 . 1 1 82 82 ARG CA C 82 53.895 53.993 -0.098 17414 2228 1 5 . 1 1 83 83 ALA N N 83 125.891 127.206 -1.315 17414 2229 1 5 . 1 1 83 83 ALA HA H 83 4.293 4.348 -0.055 17414 2230 1 5 . 1 1 83 83 ALA CA C 83 51.686 52.578 -0.892 17414 2231 1 5 . 1 1 84 84 ALA N N 84 125.790 124.617 1.173 17414 2232 1 5 . 1 1 84 84 ALA HA H 84 3.930 4.049 -0.119 17414 2233 1 5 . 1 1 84 84 ALA CB C 84 17.269 18.557 -1.288 17414 2234 1 5 . 1 1 85 85 GLY N N 85 102.306 105.302 -2.996 17414 2235 1 5 . 1 1 86 86 GLU N N 86 117.564 118.168 -0.604 17414 2236 1 5 . 1 1 86 86 GLU HA H 86 4.414 4.426 -0.012 17414 2237 1 5 . 1 1 86 86 GLU CA C 86 55.233 55.828 -0.595 17414 2238 1 5 . 1 1 86 86 GLU CB C 86 30.231 29.766 0.465 17414 2239 1 5 . 1 1 87 87 LEU N N 87 119.746 122.491 -2.745 17414 2240 1 5 . 1 1 87 87 LEU HA H 87 4.417 4.789 -0.372 17414 2241 1 5 . 1 1 87 87 LEU CA C 87 54.274 53.319 0.955 17414 2242 1 5 . 1 1 87 87 LEU CB C 87 41.471 43.347 -1.876 17414 2243 1 5 . 1 1 88 88 ARG N N 88 120.899 126.024 -5.125 17414 2244 1 5 . 1 1 88 88 ARG HA H 88 4.627 5.066 -0.439 17414 2245 1 5 . 1 1 88 88 ARG CA C 88 52.594 54.035 -1.441 17414 2246 1 5 . 1 1 89 89 LYS N N 89 119.795 125.927 -6.132 17414 2247 1 5 . 1 1 89 89 LYS HA H 89 3.669 4.007 -0.338 17414 2248 1 5 . 1 1 89 89 LYS CA C 89 57.770 58.008 -0.238 17414 2249 1 5 . 1 1 90 90 GLY N N 90 115.070 113.033 2.037 17414 2250 1 5 . 1 1 90 90 GLY CA C 90 44.499 45.334 -0.835 17414 2251 1 5 . 1 1 91 91 ASP N N 91 121.652 122.081 -0.429 17414 2252 1 5 . 1 1 91 91 ASP HA H 91 4.716 4.871 -0.155 17414 2253 1 5 . 1 1 91 91 ASP CA C 91 55.866 53.360 2.506 17414 2254 1 5 . 1 1 92 92 ARG N N 92 117.826 125.639 -7.813 17414 2255 1 5 . 1 1 92 92 ARG HA H 92 5.241 4.983 0.258 17414 2256 1 5 . 1 1 92 92 ARG CA C 92 54.976 55.822 -0.846 17414 2257 1 5 . 1 1 92 92 ARG CB C 92 31.655 31.389 0.266 17414 2258 1 5 . 1 1 93 93 VAL N N 93 115.034 118.459 -3.425 17414 2259 1 5 . 1 1 93 93 VAL HA H 93 4.839 4.933 -0.094 17414 2260 1 5 . 1 1 93 93 VAL CA C 93 58.222 59.494 -1.272 17414 2261 1 5 . 1 1 94 94 ALA N N 94 126.192 125.052 1.140 17414 2262 1 5 . 1 1 94 94 ALA HA H 94 4.271 3.955 0.316 17414 2263 1 5 . 1 1 94 94 ALA CA C 94 50.975 51.822 -0.847 17414 2264 1 5 . 1 1 94 94 ALA CB C 94 18.748 18.873 -0.125 17414 2265 1 5 . 1 1 95 95 VAL N N 95 115.179 116.355 -1.176 17414 2266 1 5 . 1 1 95 95 VAL HA H 95 5.317 4.988 0.329 17414 2267 1 5 . 1 1 95 95 VAL CA C 95 57.154 58.813 -1.659 17414 2268 1 5 . 1 1 95 95 VAL CB C 95 35.186 35.889 -0.703 17414 2269 1 5 . 1 1 96 96 ARG N N 96 119.288 122.139 -2.851 17414 2270 1 5 . 1 1 96 96 ARG HA H 96 4.230 4.968 -0.738 17414 2271 1 5 . 1 1 96 96 ARG CA C 96 53.613 54.298 -0.685 17414 2272 1 5 . 1 1 96 96 ARG CB C 96 31.697 33.264 -1.567 17414 2273 1 5 . 1 1 97 97 ASP N N 97 131.180 125.745 5.435 17414 2274 1 5 . 1 1 97 97 ASP HA H 97 4.415 4.820 -0.405 17414 2275 1 5 . 1 1 97 97 ASP CA C 97 53.887 52.957 0.930 17414 2276 1 5 . 1 1 97 97 ASP CB C 97 42.723 42.206 0.517 17414 2277 1 5 . 1 1 98 98 VAL N N 98 126.152 125.637 0.515 17414 2278 1 5 . 1 1 98 98 VAL HA H 98 3.489 3.761 -0.272 17414 2279 1 5 . 1 1 98 98 VAL CA C 98 64.431 66.170 -1.739 17414 2280 1 5 . 1 1 98 98 VAL CB C 98 31.047 31.308 -0.261 17414 2281 1 5 . 1 1 99 99 GLU N N 99 118.883 121.269 -2.386 17414 2282 1 5 . 1 1 99 99 GLU HA H 99 4.127 4.075 0.052 17414 2283 1 5 . 1 1 99 99 GLU CA C 99 58.178 59.225 -1.047 17414 2284 1 5 . 1 1 99 99 GLU CB C 99 29.591 29.655 -0.064 17414 2285 1 5 . 1 1 100 100 THR N N 100 106.301 109.213 -2.912 17414 2286 1 5 . 1 1 100 100 THR HA H 100 4.316 4.428 -0.112 17414 2287 1 5 . 1 1 100 100 THR CA C 100 61.407 62.100 -0.693 17414 2288 1 5 . 1 1 100 100 THR CB C 100 70.856 70.575 0.281 17414 2289 1 5 . 1 1 101 101 GLY N N 101 111.204 111.889 -0.685 17414 2290 1 5 . 1 1 101 101 GLY CA C 101 45.284 45.518 -0.234 17414 2291 1 5 . 1 1 102 102 GLU N N 102 118.458 120.629 -2.171 17414 2292 1 5 . 1 1 102 102 GLU HA H 102 4.301 4.401 -0.100 17414 2293 1 5 . 1 1 102 102 GLU CA C 102 55.160 55.947 -0.787 17414 2294 1 5 . 1 1 102 102 GLU CB C 102 31.769 30.990 0.779 17414 2295 1 5 . 1 1 103 103 LEU N N 103 121.701 120.098 1.603 17414 2296 1 5 . 1 1 103 103 LEU HA H 103 4.716 4.548 0.168 17414 2297 1 5 . 1 1 103 103 LEU CA C 103 54.930 54.177 0.753 17414 2298 1 5 . 1 1 103 103 LEU CB C 103 42.346 42.914 -0.568 17414 2299 1 5 . 1 1 104 104 ARG N N 104 127.157 119.232 7.925 17414 2300 1 5 . 1 1 104 104 ARG HA H 104 4.403 4.897 -0.494 17414 2301 1 5 . 1 1 104 104 ARG CA C 104 53.201 53.748 -0.547 17414 2302 1 5 . 1 1 104 104 ARG CB C 104 32.989 34.632 -1.643 17414 2303 1 5 . 1 1 105 105 TYR N N 105 116.202 117.768 -1.566 17414 2304 1 5 . 1 1 105 105 TYR HA H 105 5.490 5.492 -0.002 17414 2305 1 5 . 1 1 105 105 TYR CA C 105 56.831 56.812 0.019 17414 2306 1 5 . 1 1 105 105 TYR CB C 105 40.116 42.812 -2.696 17414 2307 1 5 . 1 1 106 106 SER N N 106 118.250 115.666 2.584 17414 2308 1 5 . 1 1 106 106 SER HA H 106 4.807 5.063 -0.256 17414 2309 1 5 . 1 1 106 106 SER CA C 106 55.888 57.523 -1.635 17414 2310 1 5 . 1 1 106 106 SER CB C 106 66.301 66.855 -0.554 17414 2311 1 5 . 1 1 107 107 VAL N N 107 122.160 122.331 -0.171 17414 2312 1 5 . 1 1 107 107 VAL HA H 107 4.423 4.557 -0.134 17414 2313 1 5 . 1 1 107 107 VAL CA C 107 61.369 61.710 -0.341 17414 2314 1 5 . 1 1 107 107 VAL CB C 107 33.633 32.558 1.075 17414 2315 1 5 . 1 1 108 108 ILE N N 108 123.427 125.491 -2.064 17414 2316 1 5 . 1 1 108 108 ILE HA H 108 4.100 4.186 -0.086 17414 2317 1 5 . 1 1 108 108 ILE CA C 108 61.321 61.398 -0.077 17414 2318 1 5 . 1 1 108 108 ILE CB C 108 37.408 37.114 0.294 17414 2319 1 5 . 1 1 109 109 ARG N N 109 130.207 127.884 2.323 17414 2320 1 5 . 1 1 109 109 ARG HA H 109 4.254 4.217 0.037 17414 2321 1 5 . 1 1 109 109 ARG CA C 109 55.904 58.247 -2.343 17414 2322 1 5 . 1 1 110 110 GLU N N 110 116.804 117.175 -0.371 17414 2323 1 5 . 1 1 110 110 GLU HA H 110 4.274 4.621 -0.347 17414 2324 1 5 . 1 1 110 110 GLU CA C 110 55.889 56.134 -0.245 17414 2325 1 5 . 1 1 110 110 GLU CB C 110 33.186 33.430 -0.244 17414 2326 1 5 . 1 1 111 111 VAL N N 111 125.709 126.635 -0.926 17414 2327 1 5 . 1 1 111 111 VAL HA H 111 4.709 4.574 0.135 17414 2328 1 5 . 1 1 111 111 VAL CA C 111 60.903 61.344 -0.441 17414 2329 1 5 . 1 1 111 111 VAL CB C 111 31.927 33.444 -1.517 17414 2330 1 5 . 1 1 112 112 LEU N N 112 132.638 128.559 4.079 17414 2331 1 5 . 1 1 112 112 LEU HA H 112 4.741 4.746 -0.005 17414 2332 1 5 . 1 1 112 112 LEU CA C 112 52.655 52.363 0.292 17414 2333 1 5 . 1 1 112 112 LEU CB C 112 40.998 41.539 -0.541 17414 2334 1 5 . 1 1 113 113 PRO HA H 113 4.532 4.581 -0.049 17414 2335 1 5 . 1 1 113 113 PRO CA C 113 61.916 62.285 -0.369 17414 2336 1 5 . 1 1 113 113 PRO CB C 113 32.608 32.456 0.152 17414 2337 1 5 . 1 1 114 114 THR N N 114 112.542 112.880 -0.338 17414 2338 1 5 . 1 1 114 114 THR HA H 114 4.973 4.722 0.251 17414 2339 1 5 . 1 1 114 114 THR CA C 114 61.865 61.283 0.582 17414 2340 1 5 . 1 1 114 114 THR CB C 114 69.345 70.225 -0.880 17414 2341 1 5 . 1 1 115 115 ARG N N 115 123.213 122.131 1.082 17414 2342 1 5 . 1 1 115 115 ARG HA H 115 4.694 4.661 0.033 17414 2343 1 5 . 1 1 115 115 ARG CA C 115 54.302 54.558 -0.256 17414 2344 1 5 . 1 1 115 115 ARG CB C 115 32.684 31.910 0.774 17414 2345 1 5 . 1 1 116 116 ARG N N 116 119.004 120.940 -1.936 17414 2346 1 5 . 1 1 116 116 ARG HA H 116 4.879 4.971 -0.092 17414 2347 1 5 . 1 1 116 116 ARG CA C 116 54.554 55.666 -1.112 17414 2348 1 5 . 1 1 116 116 ARG CB C 116 30.285 33.906 -3.621 17414 2349 1 5 . 1 1 117 117 ALA N N 117 124.834 123.873 0.961 17414 2350 1 5 . 1 1 117 117 ALA HA H 117 4.599 4.709 -0.110 17414 2351 1 5 . 1 1 117 117 ALA CA C 117 50.434 50.920 -0.486 17414 2352 1 5 . 1 1 117 117 ALA CB C 117 23.139 22.885 0.254 17414 2353 1 5 . 1 1 118 118 ARG N N 118 120.885 120.175 0.710 17414 2354 1 5 . 1 1 118 118 ARG HA H 118 3.925 4.328 -0.403 17414 2355 1 5 . 1 1 118 118 ARG CA C 118 57.559 55.849 1.710 17414 2356 1 5 . 1 1 118 118 ARG CB C 118 30.409 31.000 -0.591 17414 2357 1 5 . 1 1 119 119 THR N N 119 111.492 114.678 -3.186 17414 2358 1 5 . 1 1 119 119 THR HA H 119 5.309 5.389 -0.080 17414 2359 1 5 . 1 1 119 119 THR CA C 119 60.071 59.442 0.629 17414 2360 1 5 . 1 1 119 119 THR CB C 119 72.737 71.725 1.012 17414 2361 1 5 . 1 1 120 120 PHE N N 120 113.949 119.963 -6.014 17414 2362 1 5 . 1 1 120 120 PHE HA H 120 5.311 5.309 0.002 17414 2363 1 5 . 1 1 120 120 PHE CA C 120 57.898 56.438 1.460 17414 2364 1 5 . 1 1 120 120 PHE CB C 120 46.203 43.465 2.738 17414 2365 1 5 . 1 1 121 121 ASP N N 121 118.841 120.695 -1.854 17414 2366 1 5 . 1 1 121 121 ASP HA H 121 5.352 5.259 0.093 17414 2367 1 5 . 1 1 121 121 ASP CA C 121 55.227 53.341 1.886 17414 2368 1 5 . 1 1 121 121 ASP CB C 121 47.673 44.653 3.020 17414 2369 1 5 . 1 1 122 122 LEU N N 122 118.637 126.700 -8.063 17414 2370 1 5 . 1 1 122 122 LEU HA H 122 4.809 5.357 -0.548 17414 2371 1 5 . 1 1 122 122 LEU CB C 122 45.915 46.062 -0.147 17414 2372 1 5 . 1 1 123 123 GLU N N 123 118.694 121.791 -3.097 17414 2373 1 5 . 1 1 123 123 GLU HA H 123 4.515 4.746 -0.231 17414 2374 1 5 . 1 1 123 123 GLU CA C 123 54.697 55.764 -1.067 17414 2375 1 5 . 1 1 124 124 VAL N N 124 129.259 127.204 2.055 17414 2376 1 5 . 1 1 124 124 VAL HA H 124 4.065 4.237 -0.172 17414 2377 1 5 . 1 1 124 124 VAL CA C 124 61.193 62.061 -0.868 17414 2378 1 5 . 1 1 124 124 VAL CB C 124 33.607 32.084 1.523 17414 2379 1 5 . 1 1 125 125 GLU N N 125 128.432 128.190 0.242 17414 2380 1 5 . 1 1 125 125 GLU HA H 125 3.672 3.836 -0.164 17414 2381 1 5 . 1 1 125 125 GLU CA C 125 58.494 57.567 0.927 17414 2382 1 5 . 1 1 125 125 GLU CB C 125 30.552 29.812 0.740 17414 2383 1 5 . 1 1 126 126 GLU N N 126 120.993 125.372 -4.379 17414 2384 1 5 . 1 1 126 126 GLU HA H 126 3.570 3.998 -0.428 17414 2385 1 5 . 1 1 126 126 GLU CA C 126 61.229 58.821 2.408 17414 2386 1 5 . 1 1 126 126 GLU CB C 126 29.621 29.253 0.368 17414 2387 1 5 . 1 1 127 127 LEU N N 127 120.945 120.340 0.605 17414 2388 1 5 . 1 1 127 127 LEU HA H 127 4.205 4.345 -0.140 17414 2389 1 5 . 1 1 127 127 LEU CA C 127 55.681 53.888 1.793 17414 2390 1 5 . 1 1 128 128 HIS HA H 128 4.584 4.783 -0.199 17414 2391 1 5 . 1 1 128 128 HIS CA C 128 54.566 56.413 -1.847 17414 2392 1 5 . 1 1 128 128 HIS CB C 128 26.062 29.363 -3.301 17414 2393 1 5 . 1 1 129 129 THR N N 129 105.639 114.576 -8.937 17414 2394 1 5 . 1 1 129 129 THR HA H 129 4.899 5.016 -0.117 17414 2395 1 5 . 1 1 129 129 THR CA C 129 58.380 61.275 -2.895 17414 2396 1 5 . 1 1 129 129 THR CB C 129 72.980 71.048 1.932 17414 2397 1 5 . 1 1 130 130 LEU N N 130 111.598 120.167 -8.569 17414 2398 1 5 . 1 1 130 130 LEU HA H 130 5.537 5.397 0.140 17414 2399 1 5 . 1 1 130 130 LEU CA C 130 54.683 53.904 0.779 17414 2400 1 5 . 1 1 130 130 LEU CB C 130 44.277 45.626 -1.349 17414 2401 1 5 . 1 1 131 131 VAL N N 131 119.670 122.587 -2.917 17414 2402 1 5 . 1 1 131 131 VAL HA H 131 4.830 4.651 0.179 17414 2403 1 5 . 1 1 131 131 VAL CA C 131 61.285 62.223 -0.938 17414 2404 1 5 . 1 1 131 131 VAL CB C 131 30.272 32.187 -1.915 17414 2405 1 5 . 1 1 132 132 ALA N N 132 134.824 128.769 6.055 17414 2406 1 5 . 1 1 132 132 ALA HA H 132 4.931 4.887 0.044 17414 2407 1 5 . 1 1 132 132 ALA CA C 132 49.999 50.847 -0.848 17414 2408 1 5 . 1 1 132 132 ALA CB C 132 21.422 21.563 -0.141 17414 2409 1 5 . 1 1 133 133 GLU N N 133 118.979 124.751 -5.772 17414 2410 1 5 . 1 1 133 133 GLU HA H 133 3.826 4.088 -0.262 17414 2411 1 5 . 1 1 133 133 GLU CA C 133 57.065 57.704 -0.639 17414 2412 1 5 . 1 1 133 133 GLU CB C 133 26.406 28.309 -1.903 17414 2413 1 5 . 1 1 134 134 GLY N N 134 100.017 104.376 -4.359 17414 2414 1 5 . 1 1 134 134 GLY CA C 134 45.352 45.442 -0.090 17414 2415 1 5 . 1 1 135 135 VAL N N 135 122.381 121.453 0.928 17414 2416 1 5 . 1 1 135 135 VAL HA H 135 4.560 4.104 0.456 17414 2417 1 5 . 1 1 135 135 VAL CA C 135 60.885 62.202 -1.317 17414 2418 1 5 . 1 1 135 135 VAL CB C 135 32.542 32.706 -0.164 17414 2419 1 5 . 1 1 136 136 VAL N N 136 126.302 127.412 -1.110 17414 2420 1 5 . 1 1 136 136 VAL HA H 136 4.254 4.859 -0.605 17414 2421 1 5 . 1 1 136 136 VAL CA C 136 63.608 60.489 3.119 17414 2422 1 5 . 1 1 136 136 VAL CB C 136 30.519 33.957 -3.438 17414 2423 1 5 . 1 1 137 137 VAL N N 137 118.757 123.620 -4.863 17414 2424 1 5 . 1 1 137 137 VAL HA H 137 5.743 5.119 0.624 17414 2425 1 5 . 1 1 137 137 VAL CA C 137 58.252 59.808 -1.556 17414 2426 1 5 . 1 1 137 137 VAL CB C 137 36.378 35.983 0.395 17414 2427 1 5 . 1 1 138 138 HIS N N 138 120.902 120.558 0.344 17414 2428 1 5 . 1 1 138 138 HIS HA H 138 4.434 4.519 -0.085 17414 2429 1 5 . 1 1 138 138 HIS CA C 138 56.439 55.658 0.781 17414 2430 1 5 . 1 1 138 138 HIS CB C 138 30.583 30.602 -0.019 17414 2431 1 6 . 1 1 2 2 LEU N N 2 122.945 122.150 0.795 17414 2432 1 6 . 1 1 2 2 LEU HA H 2 5.005 5.109 -0.104 17414 2433 1 6 . 1 1 2 2 LEU CA C 2 53.355 53.541 -0.186 17414 2434 1 6 . 1 1 2 2 LEU CB C 2 43.858 44.113 -0.255 17414 2435 1 6 . 1 1 3 3 ALA N N 3 121.232 127.137 -5.905 17414 2436 1 6 . 1 1 3 3 ALA HA H 3 4.730 4.594 0.136 17414 2437 1 6 . 1 1 3 3 ALA CA C 3 52.302 51.685 0.617 17414 2438 1 6 . 1 1 3 3 ALA CB C 3 21.769 19.665 2.104 17414 2439 1 6 . 1 1 4 4 GLU N N 4 121.283 121.581 -0.298 17414 2440 1 6 . 1 1 4 4 GLU HA H 4 4.074 4.135 -0.061 17414 2441 1 6 . 1 1 4 4 GLU CA C 4 57.136 58.505 -1.369 17414 2442 1 6 . 1 1 4 4 GLU CB C 4 31.847 29.499 2.348 17414 2443 1 6 . 1 1 5 5 GLY N N 5 119.858 115.106 4.752 17414 2444 1 6 . 1 1 5 5 GLY CA C 5 44.157 45.171 -1.014 17414 2445 1 6 . 1 1 6 6 THR N N 6 117.099 116.889 0.210 17414 2446 1 6 . 1 1 6 6 THR HA H 6 4.301 4.228 0.073 17414 2447 1 6 . 1 1 6 6 THR CA C 6 65.228 63.840 1.388 17414 2448 1 6 . 1 1 6 6 THR CB C 6 68.654 69.137 -0.483 17414 2449 1 6 . 1 1 7 7 ARG N N 7 130.107 127.276 2.831 17414 2450 1 6 . 1 1 7 7 ARG HA H 7 4.878 4.752 0.126 17414 2451 1 6 . 1 1 7 7 ARG CA C 7 55.868 56.113 -0.245 17414 2452 1 6 . 1 1 8 8 ILE N N 8 123.872 121.959 1.913 17414 2453 1 6 . 1 1 8 8 ILE HA H 8 4.531 4.684 -0.153 17414 2454 1 6 . 1 1 8 8 ILE CA C 8 59.240 60.487 -1.247 17414 2455 1 6 . 1 1 8 8 ILE CB C 8 40.450 40.430 0.020 17414 2456 1 6 . 1 1 9 9 PHE N N 9 129.317 129.543 -0.226 17414 2457 1 6 . 1 1 9 9 PHE HA H 9 4.832 4.703 0.129 17414 2458 1 6 . 1 1 9 9 PHE CA C 9 56.960 57.937 -0.977 17414 2459 1 6 . 1 1 9 9 PHE CB C 9 40.542 39.963 0.579 17414 2460 1 6 . 1 1 10 10 ASP N N 10 128.073 127.631 0.442 17414 2461 1 6 . 1 1 10 10 ASP HA H 10 5.529 5.049 0.480 17414 2462 1 6 . 1 1 10 10 ASP CA C 10 49.160 50.245 -1.085 17414 2463 1 6 . 1 1 10 10 ASP CB C 10 43.037 42.345 0.692 17414 2464 1 6 . 1 1 11 11 PRO HA H 11 3.974 4.472 -0.498 17414 2465 1 6 . 1 1 11 11 PRO CA C 11 62.348 64.703 -2.355 17414 2466 1 6 . 1 1 11 11 PRO CB C 11 30.977 32.211 -1.234 17414 2467 1 6 . 1 1 12 12 VAL N N 12 124.105 116.667 7.438 17414 2468 1 6 . 1 1 12 12 VAL HA H 12 3.591 3.695 -0.104 17414 2469 1 6 . 1 1 12 12 VAL CA C 12 64.849 65.591 -0.742 17414 2470 1 6 . 1 1 13 13 THR N N 13 107.133 109.374 -2.241 17414 2471 1 6 . 1 1 13 13 THR HA H 13 4.228 4.261 -0.033 17414 2472 1 6 . 1 1 13 13 THR CA C 13 60.944 62.748 -1.804 17414 2473 1 6 . 1 1 13 13 THR CB C 13 69.447 70.310 -0.863 17414 2474 1 6 . 1 1 14 14 GLY N N 14 112.897 111.898 0.999 17414 2475 1 6 . 1 1 14 14 GLY CA C 14 45.650 45.571 0.079 17414 2476 1 6 . 1 1 15 15 THR N N 15 117.286 115.437 1.849 17414 2477 1 6 . 1 1 15 15 THR HA H 15 4.276 4.592 -0.316 17414 2478 1 6 . 1 1 15 15 THR CA C 15 61.382 60.913 0.469 17414 2479 1 6 . 1 1 15 15 THR CB C 15 70.037 71.379 -1.342 17414 2480 1 6 . 1 1 16 16 THR N N 16 120.518 118.978 1.540 17414 2481 1 6 . 1 1 16 16 THR HA H 16 4.911 4.470 0.441 17414 2482 1 6 . 1 1 16 16 THR CA C 16 62.321 62.346 -0.025 17414 2483 1 6 . 1 1 16 16 THR CB C 16 69.184 69.221 -0.037 17414 2484 1 6 . 1 1 17 17 HIS N N 17 127.011 126.241 0.770 17414 2485 1 6 . 1 1 17 17 HIS HA H 17 4.586 5.112 -0.526 17414 2486 1 6 . 1 1 17 17 HIS CA C 17 54.406 54.671 -0.265 17414 2487 1 6 . 1 1 17 17 HIS CB C 17 35.299 32.314 2.985 17414 2488 1 6 . 1 1 18 18 ARG N N 18 120.890 124.574 -3.684 17414 2489 1 6 . 1 1 18 18 ARG HA H 18 4.679 4.600 0.079 17414 2490 1 6 . 1 1 18 18 ARG CA C 18 54.802 55.406 -0.604 17414 2491 1 6 . 1 1 18 18 ARG CB C 18 29.657 31.664 -2.007 17414 2492 1 6 . 1 1 19 19 ILE N N 19 125.005 128.191 -3.186 17414 2493 1 6 . 1 1 19 19 ILE HA H 19 3.696 3.864 -0.168 17414 2494 1 6 . 1 1 19 19 ILE CA C 19 66.021 64.110 1.911 17414 2495 1 6 . 1 1 19 19 ILE CB C 19 37.936 37.789 0.147 17414 2496 1 6 . 1 1 20 20 GLU N N 20 123.813 120.025 3.788 17414 2497 1 6 . 1 1 20 20 GLU HA H 20 2.787 3.568 -0.781 17414 2498 1 6 . 1 1 20 20 GLU CA C 20 57.675 59.109 -1.434 17414 2499 1 6 . 1 1 20 20 GLU CB C 20 28.945 29.162 -0.217 17414 2500 1 6 . 1 1 21 21 ASP N N 21 123.330 120.376 2.954 17414 2501 1 6 . 1 1 21 21 ASP HA H 21 4.489 4.335 0.154 17414 2502 1 6 . 1 1 21 21 ASP CA C 21 55.734 56.553 -0.819 17414 2503 1 6 . 1 1 21 21 ASP CB C 21 40.038 40.781 -0.743 17414 2504 1 6 . 1 1 22 22 VAL N N 22 121.407 119.533 1.874 17414 2505 1 6 . 1 1 22 22 VAL HA H 22 3.303 3.492 -0.189 17414 2506 1 6 . 1 1 22 22 VAL CA C 22 65.768 66.460 -0.692 17414 2507 1 6 . 1 1 22 22 VAL CB C 22 31.327 31.494 -0.167 17414 2508 1 6 . 1 1 23 23 VAL N N 23 116.800 120.407 -3.607 17414 2509 1 6 . 1 1 23 23 VAL HA H 23 3.928 3.696 0.232 17414 2510 1 6 . 1 1 23 23 VAL CA C 23 66.310 66.299 0.011 17414 2511 1 6 . 1 1 24 24 GLY N N 24 120.577 108.266 12.311 17414 2512 1 6 . 1 1 25 25 GLY N N 25 103.034 108.175 -5.141 17414 2513 1 6 . 1 1 25 25 GLY CA C 25 43.755 44.769 -1.014 17414 2514 1 6 . 1 1 26 26 ARG N N 26 122.306 114.962 7.344 17414 2515 1 6 . 1 1 26 26 ARG HA H 26 1.544 3.174 -1.630 17414 2516 1 6 . 1 1 26 26 ARG CA C 26 55.119 56.280 -1.161 17414 2517 1 6 . 1 1 26 26 ARG CB C 26 26.620 27.901 -1.281 17414 2518 1 6 . 1 1 27 27 LYS N N 27 115.887 119.150 -3.263 17414 2519 1 6 . 1 1 27 27 LYS HA H 27 4.168 4.426 -0.258 17414 2520 1 6 . 1 1 27 27 LYS CB C 27 33.503 32.803 0.700 17414 2521 1 6 . 1 1 28 28 PRO HA H 28 5.145 4.683 0.462 17414 2522 1 6 . 1 1 28 28 PRO CA C 28 61.507 62.641 -1.134 17414 2523 1 6 . 1 1 28 28 PRO CB C 28 27.787 30.482 -2.695 17414 2524 1 6 . 1 1 29 29 ILE N N 29 116.657 117.641 -0.984 17414 2525 1 6 . 1 1 29 29 ILE HA H 29 4.443 5.247 -0.804 17414 2526 1 6 . 1 1 29 29 ILE CA C 29 60.723 58.795 1.928 17414 2527 1 6 . 1 1 29 29 ILE CB C 29 38.563 41.424 -2.861 17414 2528 1 6 . 1 1 30 30 HIS N N 30 118.274 118.154 0.120 17414 2529 1 6 . 1 1 30 30 HIS HA H 30 5.152 5.430 -0.278 17414 2530 1 6 . 1 1 30 30 HIS CA C 30 55.902 54.237 1.665 17414 2531 1 6 . 1 1 30 30 HIS CB C 30 30.925 34.524 -3.599 17414 2532 1 6 . 1 1 31 31 VAL N N 31 107.262 115.782 -8.520 17414 2533 1 6 . 1 1 31 31 VAL HA H 31 5.212 4.916 0.296 17414 2534 1 6 . 1 1 31 31 VAL CA C 31 57.692 59.278 -1.586 17414 2535 1 6 . 1 1 31 31 VAL CB C 31 34.153 36.370 -2.217 17414 2536 1 6 . 1 1 32 32 VAL N N 32 119.900 122.767 -2.867 17414 2537 1 6 . 1 1 32 32 VAL HA H 32 4.246 4.530 -0.284 17414 2538 1 6 . 1 1 32 32 VAL CA C 32 62.504 61.955 0.549 17414 2539 1 6 . 1 1 33 33 ALA N N 33 128.967 130.255 -1.288 17414 2540 1 6 . 1 1 33 33 ALA HA H 33 4.522 5.411 -0.889 17414 2541 1 6 . 1 1 33 33 ALA CA C 33 49.594 50.652 -1.058 17414 2542 1 6 . 1 1 33 33 ALA CB C 33 23.635 22.492 1.143 17414 2543 1 6 . 1 1 34 34 ALA N N 34 121.236 120.623 0.613 17414 2544 1 6 . 1 1 34 34 ALA HA H 34 5.207 5.211 -0.004 17414 2545 1 6 . 1 1 34 34 ALA CA C 34 49.704 50.644 -0.940 17414 2546 1 6 . 1 1 35 35 ALA N N 35 125.943 123.532 2.411 17414 2547 1 6 . 1 1 35 35 ALA HA H 35 4.633 4.682 -0.049 17414 2548 1 6 . 1 1 35 35 ALA CA C 35 50.168 49.939 0.229 17414 2549 1 6 . 1 1 35 35 ALA CB C 35 20.121 21.872 -1.751 17414 2550 1 6 . 1 1 36 36 LYS N N 36 121.159 118.120 3.039 17414 2551 1 6 . 1 1 36 36 LYS HA H 36 4.272 4.154 0.118 17414 2552 1 6 . 1 1 36 36 LYS CA C 36 58.723 58.589 0.134 17414 2553 1 6 . 1 1 37 37 ASP N N 37 115.815 117.560 -1.745 17414 2554 1 6 . 1 1 37 37 ASP HA H 37 4.526 4.721 -0.195 17414 2555 1 6 . 1 1 37 37 ASP CA C 37 52.534 54.092 -1.558 17414 2556 1 6 . 1 1 37 37 ASP CB C 37 39.654 41.503 -1.849 17414 2557 1 6 . 1 1 38 38 GLY N N 38 107.649 107.765 -0.116 17414 2558 1 6 . 1 1 38 38 GLY CA C 38 45.025 45.679 -0.654 17414 2559 1 6 . 1 1 39 39 THR N N 39 110.428 113.025 -2.597 17414 2560 1 6 . 1 1 39 39 THR HA H 39 4.265 4.306 -0.041 17414 2561 1 6 . 1 1 39 39 THR CA C 39 60.883 60.696 0.187 17414 2562 1 6 . 1 1 39 39 THR CB C 39 70.144 70.326 -0.182 17414 2563 1 6 . 1 1 40 40 LEU N N 40 120.829 125.442 -4.613 17414 2564 1 6 . 1 1 40 40 LEU HA H 40 5.312 5.151 0.161 17414 2565 1 6 . 1 1 40 40 LEU CA C 40 53.146 54.090 -0.944 17414 2566 1 6 . 1 1 40 40 LEU CB C 40 41.870 43.409 -1.539 17414 2567 1 6 . 1 1 41 41 HIS N N 41 120.175 120.526 -0.351 17414 2568 1 6 . 1 1 41 41 HIS HA H 41 4.622 5.016 -0.394 17414 2569 1 6 . 1 1 41 41 HIS CA C 41 54.675 54.754 -0.079 17414 2570 1 6 . 1 1 41 41 HIS CB C 41 35.374 33.459 1.915 17414 2571 1 6 . 1 1 42 42 ALA N N 42 125.084 125.747 -0.663 17414 2572 1 6 . 1 1 42 42 ALA HA H 42 5.530 4.528 1.002 17414 2573 1 6 . 1 1 42 42 ALA CA C 42 50.934 52.406 -1.472 17414 2574 1 6 . 1 1 42 42 ALA CB C 42 18.920 19.480 -0.560 17414 2575 1 6 . 1 1 43 43 ARG N N 43 124.440 121.752 2.688 17414 2576 1 6 . 1 1 43 43 ARG HA H 43 5.177 4.918 0.259 17414 2577 1 6 . 1 1 43 43 ARG CA C 43 50.736 52.803 -2.067 17414 2578 1 6 . 1 1 43 43 ARG CB C 43 35.105 32.983 2.122 17414 2579 1 6 . 1 1 44 44 PRO HA H 44 4.506 4.346 0.160 17414 2580 1 6 . 1 1 44 44 PRO CA C 44 61.661 62.081 -0.420 17414 2581 1 6 . 1 1 44 44 PRO CB C 44 32.437 32.104 0.333 17414 2582 1 6 . 1 1 45 45 VAL N N 45 119.113 120.298 -1.185 17414 2583 1 6 . 1 1 45 45 VAL HA H 45 4.195 4.273 -0.078 17414 2584 1 6 . 1 1 45 45 VAL CA C 45 61.770 61.503 0.267 17414 2585 1 6 . 1 1 45 45 VAL CB C 45 32.099 33.014 -0.915 17414 2586 1 6 . 1 1 46 46 VAL N N 46 114.811 119.522 -4.711 17414 2587 1 6 . 1 1 46 46 VAL HA H 46 4.117 4.351 -0.234 17414 2588 1 6 . 1 1 46 46 VAL CA C 46 59.689 60.642 -0.953 17414 2589 1 6 . 1 1 46 46 VAL CB C 46 33.207 33.319 -0.112 17414 2590 1 6 . 1 1 47 47 SER N N 47 113.271 113.523 -0.252 17414 2591 1 6 . 1 1 47 47 SER HA H 47 3.992 4.019 -0.027 17414 2592 1 6 . 1 1 47 47 SER CA C 47 56.916 56.370 0.546 17414 2593 1 6 . 1 1 47 47 SER CB C 47 65.285 65.157 0.128 17414 2594 1 6 . 1 1 48 48 TRP N N 48 120.998 125.077 -4.079 17414 2595 1 6 . 1 1 48 48 TRP HA H 48 4.518 5.115 -0.597 17414 2596 1 6 . 1 1 48 48 TRP CA C 48 58.275 55.959 2.316 17414 2597 1 6 . 1 1 48 48 TRP CB C 48 32.474 32.143 0.331 17414 2598 1 6 . 1 1 49 49 PHE N N 49 120.098 122.103 -2.005 17414 2599 1 6 . 1 1 49 49 PHE HA H 49 5.159 5.093 0.066 17414 2600 1 6 . 1 1 49 49 PHE CA C 49 55.741 56.267 -0.526 17414 2601 1 6 . 1 1 49 49 PHE CB C 49 40.992 43.435 -2.443 17414 2602 1 6 . 1 1 50 50 ASP N N 50 127.259 123.380 3.879 17414 2603 1 6 . 1 1 50 50 ASP HA H 50 4.829 5.221 -0.392 17414 2604 1 6 . 1 1 50 50 ASP CA C 50 53.464 53.701 -0.237 17414 2605 1 6 . 1 1 50 50 ASP CB C 50 40.713 42.598 -1.885 17414 2606 1 6 . 1 1 51 51 GLN N N 51 123.758 122.764 0.994 17414 2607 1 6 . 1 1 51 51 GLN HA H 51 4.902 4.568 0.334 17414 2608 1 6 . 1 1 51 51 GLN CA C 51 55.613 55.796 -0.183 17414 2609 1 6 . 1 1 52 52 GLY N N 52 108.682 107.651 1.031 17414 2610 1 6 . 1 1 52 52 GLY CA C 52 44.063 44.657 -0.594 17414 2611 1 6 . 1 1 53 53 THR N N 53 118.925 115.955 2.970 17414 2612 1 6 . 1 1 53 53 THR HA H 53 4.734 4.865 -0.131 17414 2613 1 6 . 1 1 53 53 THR CA C 53 62.734 63.321 -0.587 17414 2614 1 6 . 1 1 53 53 THR CB C 53 67.881 69.513 -1.632 17414 2615 1 6 . 1 1 54 54 ARG N N 54 125.981 124.370 1.611 17414 2616 1 6 . 1 1 54 54 ARG HA H 54 4.677 4.909 -0.232 17414 2617 1 6 . 1 1 54 54 ARG CA C 54 53.580 54.011 -0.431 17414 2618 1 6 . 1 1 54 54 ARG CB C 54 35.619 34.652 0.967 17414 2619 1 6 . 1 1 55 55 ASP N N 55 119.621 120.722 -1.101 17414 2620 1 6 . 1 1 55 55 ASP HA H 55 4.973 5.383 -0.410 17414 2621 1 6 . 1 1 55 55 ASP CA C 55 54.236 54.225 0.011 17414 2622 1 6 . 1 1 55 55 ASP CB C 55 40.704 41.900 -1.196 17414 2623 1 6 . 1 1 56 56 VAL N N 56 114.565 118.178 -3.613 17414 2624 1 6 . 1 1 56 56 VAL HA H 56 4.804 4.912 -0.108 17414 2625 1 6 . 1 1 56 56 VAL CA C 56 58.672 59.263 -0.591 17414 2626 1 6 . 1 1 56 56 VAL CB C 56 34.813 35.952 -1.139 17414 2627 1 6 . 1 1 57 57 ILE N N 57 114.855 120.581 -5.726 17414 2628 1 6 . 1 1 57 57 ILE HA H 57 4.740 4.999 -0.259 17414 2629 1 6 . 1 1 57 57 ILE CA C 57 58.799 59.427 -0.628 17414 2630 1 6 . 1 1 57 57 ILE CB C 57 41.197 40.087 1.110 17414 2631 1 6 . 1 1 58 58 GLY N N 58 107.378 109.382 -2.004 17414 2632 1 6 . 1 1 58 58 GLY CA C 58 43.036 43.660 -0.624 17414 2633 1 6 . 1 1 59 59 LEU N N 59 124.061 125.251 -1.190 17414 2634 1 6 . 1 1 59 59 LEU HA H 59 4.677 4.751 -0.074 17414 2635 1 6 . 1 1 59 59 LEU CA C 59 52.282 53.611 -1.329 17414 2636 1 6 . 1 1 59 59 LEU CB C 59 42.668 43.124 -0.456 17414 2637 1 6 . 1 1 60 60 ARG N N 60 124.178 124.959 -0.781 17414 2638 1 6 . 1 1 60 60 ARG HA H 60 4.799 4.713 0.086 17414 2639 1 6 . 1 1 61 61 ILE N N 61 128.222 127.393 0.829 17414 2640 1 6 . 1 1 61 61 ILE HA H 61 4.492 4.516 -0.024 17414 2641 1 6 . 1 1 61 61 ILE CA C 61 58.741 59.895 -1.154 17414 2642 1 6 . 1 1 61 61 ILE CB C 61 37.622 39.167 -1.545 17414 2643 1 6 . 1 1 62 62 ALA N N 62 128.005 131.212 -3.207 17414 2644 1 6 . 1 1 62 62 ALA HA H 62 4.108 3.982 0.126 17414 2645 1 6 . 1 1 62 62 ALA CA C 62 54.129 53.374 0.755 17414 2646 1 6 . 1 1 62 62 ALA CB C 62 18.002 17.957 0.045 17414 2647 1 6 . 1 1 63 63 GLY CA C 63 44.912 45.590 -0.678 17414 2648 1 6 . 1 1 64 64 GLY N N 64 107.906 108.336 -0.430 17414 2649 1 6 . 1 1 64 64 GLY CA C 64 44.751 46.221 -1.470 17414 2650 1 6 . 1 1 65 65 ALA N N 65 125.759 124.007 1.752 17414 2651 1 6 . 1 1 65 65 ALA HA H 65 4.394 4.658 -0.264 17414 2652 1 6 . 1 1 65 65 ALA CA C 65 51.764 51.365 0.399 17414 2653 1 6 . 1 1 65 65 ALA CB C 65 19.458 21.001 -1.543 17414 2654 1 6 . 1 1 66 66 ILE N N 66 118.136 119.392 -1.256 17414 2655 1 6 . 1 1 66 66 ILE HA H 66 4.705 4.943 -0.238 17414 2656 1 6 . 1 1 66 66 ILE CA C 66 59.670 59.543 0.127 17414 2657 1 6 . 1 1 66 66 ILE CB C 66 40.415 42.378 -1.963 17414 2658 1 6 . 1 1 67 67 LEU N N 67 127.715 127.798 -0.083 17414 2659 1 6 . 1 1 67 67 LEU HA H 67 4.728 5.026 -0.298 17414 2660 1 6 . 1 1 67 67 LEU CA C 67 53.331 53.110 0.221 17414 2661 1 6 . 1 1 67 67 LEU CB C 67 44.102 45.289 -1.187 17414 2662 1 6 . 1 1 68 68 TRP N N 68 129.332 128.520 0.812 17414 2663 1 6 . 1 1 68 68 TRP HA H 68 5.672 5.287 0.385 17414 2664 1 6 . 1 1 68 68 TRP CA C 68 54.812 56.124 -1.312 17414 2665 1 6 . 1 1 68 68 TRP CB C 68 29.742 30.805 -1.063 17414 2666 1 6 . 1 1 69 69 ALA N N 69 124.233 124.133 0.100 17414 2667 1 6 . 1 1 69 69 ALA HA H 69 5.243 4.845 0.398 17414 2668 1 6 . 1 1 69 69 ALA CA C 69 49.203 51.222 -2.019 17414 2669 1 6 . 1 1 69 69 ALA CB C 69 22.138 23.078 -0.940 17414 2670 1 6 . 1 1 70 70 THR N N 70 111.459 110.743 0.716 17414 2671 1 6 . 1 1 70 70 THR HA H 70 5.152 4.899 0.253 17414 2672 1 6 . 1 1 70 70 THR CA C 70 60.495 60.302 0.193 17414 2673 1 6 . 1 1 70 70 THR CB C 70 67.570 69.033 -1.463 17414 2674 1 6 . 1 1 71 71 PRO HA H 71 4.165 4.549 -0.384 17414 2675 1 6 . 1 1 71 71 PRO CA C 71 64.390 64.901 -0.511 17414 2676 1 6 . 1 1 72 72 ASP N N 72 112.234 117.312 -5.078 17414 2677 1 6 . 1 1 72 72 ASP HA H 72 4.505 4.767 -0.262 17414 2678 1 6 . 1 1 72 72 ASP CA C 72 52.827 54.169 -1.342 17414 2679 1 6 . 1 1 73 73 HIS N N 73 125.389 121.347 4.042 17414 2680 1 6 . 1 1 73 73 HIS HA H 73 3.796 4.486 -0.690 17414 2681 1 6 . 1 1 73 73 HIS CA C 73 58.310 56.788 1.522 17414 2682 1 6 . 1 1 73 73 HIS CB C 73 32.385 30.580 1.805 17414 2683 1 6 . 1 1 74 74 LYS N N 74 127.412 125.972 1.440 17414 2684 1 6 . 1 1 74 74 LYS HA H 74 4.661 4.749 -0.088 17414 2685 1 6 . 1 1 74 74 LYS CA C 74 56.845 56.432 0.413 17414 2686 1 6 . 1 1 75 75 VAL N N 75 125.726 125.753 -0.027 17414 2687 1 6 . 1 1 75 75 VAL HA H 75 4.754 4.647 0.107 17414 2688 1 6 . 1 1 75 75 VAL CA C 75 60.739 61.711 -0.972 17414 2689 1 6 . 1 1 75 75 VAL CB C 75 35.276 31.550 3.726 17414 2690 1 6 . 1 1 76 76 LEU N N 76 129.759 130.756 -0.997 17414 2691 1 6 . 1 1 76 76 LEU HA H 76 3.514 3.845 -0.331 17414 2692 1 6 . 1 1 76 76 LEU CA C 76 55.222 56.045 -0.823 17414 2693 1 6 . 1 1 76 76 LEU CB C 76 39.052 42.100 -3.048 17414 2694 1 6 . 1 1 77 77 THR N N 77 116.138 117.600 -1.462 17414 2695 1 6 . 1 1 77 77 THR HA H 77 5.295 4.793 0.502 17414 2696 1 6 . 1 1 77 77 THR CA C 77 59.543 60.217 -0.674 17414 2697 1 6 . 1 1 78 78 GLU N N 78 119.986 119.526 0.460 17414 2698 1 6 . 1 1 78 78 GLU HA H 78 3.558 3.885 -0.327 17414 2699 1 6 . 1 1 78 78 GLU CA C 78 57.551 58.488 -0.937 17414 2700 1 6 . 1 1 78 78 GLU CB C 78 28.385 28.602 -0.217 17414 2701 1 6 . 1 1 79 79 TYR N N 79 117.251 118.140 -0.889 17414 2702 1 6 . 1 1 79 79 TYR HA H 79 4.749 4.569 0.180 17414 2703 1 6 . 1 1 79 79 TYR CA C 79 55.553 58.073 -2.520 17414 2704 1 6 . 1 1 79 79 TYR CB C 79 37.935 39.052 -1.117 17414 2705 1 6 . 1 1 80 80 GLY N N 80 106.884 107.348 -0.464 17414 2706 1 6 . 1 1 80 80 GLY CA C 80 42.757 44.238 -1.481 17414 2707 1 6 . 1 1 81 81 TRP N N 81 125.593 123.082 2.511 17414 2708 1 6 . 1 1 81 81 TRP HA H 81 4.884 5.046 -0.162 17414 2709 1 6 . 1 1 81 81 TRP CA C 81 57.790 57.734 0.056 17414 2710 1 6 . 1 1 81 81 TRP CB C 81 29.255 30.666 -1.411 17414 2711 1 6 . 1 1 82 82 ARG N N 82 124.625 123.951 0.674 17414 2712 1 6 . 1 1 82 82 ARG HA H 82 4.773 5.086 -0.313 17414 2713 1 6 . 1 1 82 82 ARG CA C 82 53.895 54.524 -0.629 17414 2714 1 6 . 1 1 83 83 ALA N N 83 125.891 128.694 -2.803 17414 2715 1 6 . 1 1 83 83 ALA HA H 83 4.293 4.401 -0.108 17414 2716 1 6 . 1 1 83 83 ALA CA C 83 51.686 52.637 -0.951 17414 2717 1 6 . 1 1 84 84 ALA N N 84 125.790 126.686 -0.896 17414 2718 1 6 . 1 1 84 84 ALA HA H 84 3.930 4.258 -0.328 17414 2719 1 6 . 1 1 84 84 ALA CB C 84 17.269 18.637 -1.368 17414 2720 1 6 . 1 1 85 85 GLY N N 85 102.306 107.591 -5.285 17414 2721 1 6 . 1 1 86 86 GLU N N 86 117.564 115.999 1.565 17414 2722 1 6 . 1 1 86 86 GLU HA H 86 4.414 4.500 -0.086 17414 2723 1 6 . 1 1 86 86 GLU CA C 86 55.233 55.577 -0.344 17414 2724 1 6 . 1 1 86 86 GLU CB C 86 30.231 30.695 -0.464 17414 2725 1 6 . 1 1 87 87 LEU N N 87 119.746 122.921 -3.175 17414 2726 1 6 . 1 1 87 87 LEU HA H 87 4.417 4.207 0.210 17414 2727 1 6 . 1 1 87 87 LEU CA C 87 54.274 55.149 -0.875 17414 2728 1 6 . 1 1 87 87 LEU CB C 87 41.471 42.413 -0.942 17414 2729 1 6 . 1 1 88 88 ARG N N 88 120.899 123.262 -2.363 17414 2730 1 6 . 1 1 88 88 ARG HA H 88 4.627 4.929 -0.302 17414 2731 1 6 . 1 1 88 88 ARG CA C 88 52.594 54.068 -1.474 17414 2732 1 6 . 1 1 89 89 LYS N N 89 119.795 125.790 -5.995 17414 2733 1 6 . 1 1 89 89 LYS HA H 89 3.669 3.931 -0.262 17414 2734 1 6 . 1 1 89 89 LYS CA C 89 57.770 58.317 -0.547 17414 2735 1 6 . 1 1 90 90 GLY N N 90 115.070 114.379 0.691 17414 2736 1 6 . 1 1 90 90 GLY CA C 90 44.499 45.350 -0.851 17414 2737 1 6 . 1 1 91 91 ASP N N 91 121.652 122.095 -0.443 17414 2738 1 6 . 1 1 91 91 ASP HA H 91 4.716 4.646 0.070 17414 2739 1 6 . 1 1 91 91 ASP CA C 91 55.866 54.122 1.744 17414 2740 1 6 . 1 1 92 92 ARG N N 92 117.826 125.606 -7.780 17414 2741 1 6 . 1 1 92 92 ARG HA H 92 5.241 5.060 0.181 17414 2742 1 6 . 1 1 92 92 ARG CA C 92 54.976 55.565 -0.589 17414 2743 1 6 . 1 1 92 92 ARG CB C 92 31.655 31.988 -0.333 17414 2744 1 6 . 1 1 93 93 VAL N N 93 115.034 118.154 -3.120 17414 2745 1 6 . 1 1 93 93 VAL HA H 93 4.839 4.940 -0.101 17414 2746 1 6 . 1 1 93 93 VAL CA C 93 58.222 59.008 -0.786 17414 2747 1 6 . 1 1 94 94 ALA N N 94 126.192 124.524 1.668 17414 2748 1 6 . 1 1 94 94 ALA HA H 94 4.271 4.140 0.131 17414 2749 1 6 . 1 1 94 94 ALA CA C 94 50.975 51.389 -0.414 17414 2750 1 6 . 1 1 94 94 ALA CB C 94 18.748 18.990 -0.242 17414 2751 1 6 . 1 1 95 95 VAL N N 95 115.179 116.550 -1.371 17414 2752 1 6 . 1 1 95 95 VAL HA H 95 5.317 4.905 0.412 17414 2753 1 6 . 1 1 95 95 VAL CA C 95 57.154 58.838 -1.684 17414 2754 1 6 . 1 1 95 95 VAL CB C 95 35.186 35.228 -0.042 17414 2755 1 6 . 1 1 96 96 ARG N N 96 119.288 122.562 -3.274 17414 2756 1 6 . 1 1 96 96 ARG HA H 96 4.230 4.689 -0.459 17414 2757 1 6 . 1 1 96 96 ARG CA C 96 53.613 54.874 -1.261 17414 2758 1 6 . 1 1 96 96 ARG CB C 96 31.697 31.738 -0.041 17414 2759 1 6 . 1 1 97 97 ASP N N 97 131.180 126.033 5.147 17414 2760 1 6 . 1 1 97 97 ASP HA H 97 4.415 4.785 -0.370 17414 2761 1 6 . 1 1 97 97 ASP CA C 97 53.887 52.809 1.078 17414 2762 1 6 . 1 1 97 97 ASP CB C 97 42.723 42.174 0.549 17414 2763 1 6 . 1 1 98 98 VAL N N 98 126.152 126.328 -0.176 17414 2764 1 6 . 1 1 98 98 VAL HA H 98 3.489 3.866 -0.377 17414 2765 1 6 . 1 1 98 98 VAL CA C 98 64.431 64.186 0.245 17414 2766 1 6 . 1 1 98 98 VAL CB C 98 31.047 31.846 -0.799 17414 2767 1 6 . 1 1 99 99 GLU N N 99 118.883 121.643 -2.760 17414 2768 1 6 . 1 1 99 99 GLU HA H 99 4.127 4.063 0.064 17414 2769 1 6 . 1 1 99 99 GLU CA C 99 58.178 59.161 -0.983 17414 2770 1 6 . 1 1 99 99 GLU CB C 99 29.591 29.625 -0.034 17414 2771 1 6 . 1 1 100 100 THR N N 100 106.301 109.248 -2.947 17414 2772 1 6 . 1 1 100 100 THR HA H 100 4.316 4.412 -0.096 17414 2773 1 6 . 1 1 100 100 THR CA C 100 61.407 62.027 -0.620 17414 2774 1 6 . 1 1 100 100 THR CB C 100 70.856 70.529 0.327 17414 2775 1 6 . 1 1 101 101 GLY N N 101 111.204 111.893 -0.689 17414 2776 1 6 . 1 1 101 101 GLY CA C 101 45.284 45.498 -0.214 17414 2777 1 6 . 1 1 102 102 GLU N N 102 118.458 120.430 -1.972 17414 2778 1 6 . 1 1 102 102 GLU HA H 102 4.301 4.434 -0.133 17414 2779 1 6 . 1 1 102 102 GLU CA C 102 55.160 55.780 -0.620 17414 2780 1 6 . 1 1 102 102 GLU CB C 102 31.769 30.969 0.800 17414 2781 1 6 . 1 1 103 103 LEU N N 103 121.701 120.354 1.347 17414 2782 1 6 . 1 1 103 103 LEU HA H 103 4.716 4.726 -0.010 17414 2783 1 6 . 1 1 103 103 LEU CA C 103 54.930 53.788 1.142 17414 2784 1 6 . 1 1 103 103 LEU CB C 103 42.346 42.930 -0.584 17414 2785 1 6 . 1 1 104 104 ARG N N 104 127.157 120.425 6.732 17414 2786 1 6 . 1 1 104 104 ARG HA H 104 4.403 4.853 -0.450 17414 2787 1 6 . 1 1 104 104 ARG CA C 104 53.201 53.695 -0.494 17414 2788 1 6 . 1 1 104 104 ARG CB C 104 32.989 34.187 -1.198 17414 2789 1 6 . 1 1 105 105 TYR N N 105 116.202 117.942 -1.740 17414 2790 1 6 . 1 1 105 105 TYR HA H 105 5.490 5.616 -0.126 17414 2791 1 6 . 1 1 105 105 TYR CA C 105 56.831 56.480 0.351 17414 2792 1 6 . 1 1 105 105 TYR CB C 105 40.116 41.491 -1.375 17414 2793 1 6 . 1 1 106 106 SER N N 106 118.250 115.415 2.835 17414 2794 1 6 . 1 1 106 106 SER HA H 106 4.807 5.102 -0.295 17414 2795 1 6 . 1 1 106 106 SER CA C 106 55.888 57.611 -1.723 17414 2796 1 6 . 1 1 106 106 SER CB C 106 66.301 66.945 -0.644 17414 2797 1 6 . 1 1 107 107 VAL N N 107 122.160 122.267 -0.107 17414 2798 1 6 . 1 1 107 107 VAL HA H 107 4.423 4.569 -0.146 17414 2799 1 6 . 1 1 107 107 VAL CA C 107 61.369 60.785 0.584 17414 2800 1 6 . 1 1 107 107 VAL CB C 107 33.633 33.586 0.047 17414 2801 1 6 . 1 1 108 108 ILE N N 108 123.427 126.973 -3.546 17414 2802 1 6 . 1 1 108 108 ILE HA H 108 4.100 4.245 -0.145 17414 2803 1 6 . 1 1 108 108 ILE CA C 108 61.321 61.390 -0.069 17414 2804 1 6 . 1 1 108 108 ILE CB C 108 37.408 38.375 -0.967 17414 2805 1 6 . 1 1 109 109 ARG N N 109 130.207 126.110 4.097 17414 2806 1 6 . 1 1 109 109 ARG HA H 109 4.254 4.453 -0.199 17414 2807 1 6 . 1 1 109 109 ARG CA C 109 55.904 57.145 -1.241 17414 2808 1 6 . 1 1 110 110 GLU N N 110 116.804 117.799 -0.995 17414 2809 1 6 . 1 1 110 110 GLU HA H 110 4.274 4.607 -0.333 17414 2810 1 6 . 1 1 110 110 GLU CA C 110 55.889 56.211 -0.322 17414 2811 1 6 . 1 1 110 110 GLU CB C 110 33.186 33.568 -0.382 17414 2812 1 6 . 1 1 111 111 VAL N N 111 125.709 127.055 -1.346 17414 2813 1 6 . 1 1 111 111 VAL HA H 111 4.709 4.453 0.256 17414 2814 1 6 . 1 1 111 111 VAL CA C 111 60.903 61.852 -0.949 17414 2815 1 6 . 1 1 111 111 VAL CB C 111 31.927 32.635 -0.708 17414 2816 1 6 . 1 1 112 112 LEU N N 112 132.638 128.282 4.356 17414 2817 1 6 . 1 1 112 112 LEU HA H 112 4.741 4.783 -0.042 17414 2818 1 6 . 1 1 112 112 LEU CA C 112 52.655 51.964 0.691 17414 2819 1 6 . 1 1 112 112 LEU CB C 112 40.998 42.084 -1.086 17414 2820 1 6 . 1 1 113 113 PRO HA H 113 4.532 4.576 -0.044 17414 2821 1 6 . 1 1 113 113 PRO CA C 113 61.916 62.286 -0.370 17414 2822 1 6 . 1 1 113 113 PRO CB C 113 32.608 32.458 0.150 17414 2823 1 6 . 1 1 114 114 THR N N 114 112.542 112.857 -0.315 17414 2824 1 6 . 1 1 114 114 THR HA H 114 4.973 4.660 0.313 17414 2825 1 6 . 1 1 114 114 THR CA C 114 61.865 61.333 0.532 17414 2826 1 6 . 1 1 114 114 THR CB C 114 69.345 70.239 -0.894 17414 2827 1 6 . 1 1 115 115 ARG N N 115 123.213 122.094 1.119 17414 2828 1 6 . 1 1 115 115 ARG HA H 115 4.694 4.706 -0.012 17414 2829 1 6 . 1 1 115 115 ARG CA C 115 54.302 54.254 0.048 17414 2830 1 6 . 1 1 115 115 ARG CB C 115 32.684 32.632 0.052 17414 2831 1 6 . 1 1 116 116 ARG N N 116 119.004 120.611 -1.607 17414 2832 1 6 . 1 1 116 116 ARG HA H 116 4.879 5.119 -0.240 17414 2833 1 6 . 1 1 116 116 ARG CA C 116 54.554 54.748 -0.194 17414 2834 1 6 . 1 1 116 116 ARG CB C 116 30.285 33.800 -3.515 17414 2835 1 6 . 1 1 117 117 ALA N N 117 124.834 122.954 1.880 17414 2836 1 6 . 1 1 117 117 ALA HA H 117 4.599 4.701 -0.102 17414 2837 1 6 . 1 1 117 117 ALA CA C 117 50.434 51.011 -0.577 17414 2838 1 6 . 1 1 117 117 ALA CB C 117 23.139 22.870 0.269 17414 2839 1 6 . 1 1 118 118 ARG N N 118 120.885 119.185 1.700 17414 2840 1 6 . 1 1 118 118 ARG HA H 118 3.925 4.532 -0.607 17414 2841 1 6 . 1 1 118 118 ARG CA C 118 57.559 56.074 1.485 17414 2842 1 6 . 1 1 118 118 ARG CB C 118 30.409 31.370 -0.961 17414 2843 1 6 . 1 1 119 119 THR N N 119 111.492 113.069 -1.577 17414 2844 1 6 . 1 1 119 119 THR HA H 119 5.309 5.417 -0.108 17414 2845 1 6 . 1 1 119 119 THR CA C 119 60.071 59.289 0.782 17414 2846 1 6 . 1 1 119 119 THR CB C 119 72.737 71.757 0.980 17414 2847 1 6 . 1 1 120 120 PHE N N 120 113.949 119.873 -5.924 17414 2848 1 6 . 1 1 120 120 PHE HA H 120 5.311 5.354 -0.043 17414 2849 1 6 . 1 1 120 120 PHE CA C 120 57.898 56.156 1.742 17414 2850 1 6 . 1 1 120 120 PHE CB C 120 46.203 43.575 2.628 17414 2851 1 6 . 1 1 121 121 ASP N N 121 118.841 119.374 -0.533 17414 2852 1 6 . 1 1 121 121 ASP HA H 121 5.352 5.584 -0.232 17414 2853 1 6 . 1 1 121 121 ASP CA C 121 55.227 53.077 2.150 17414 2854 1 6 . 1 1 121 121 ASP CB C 121 47.673 44.667 3.006 17414 2855 1 6 . 1 1 122 122 LEU N N 122 118.637 123.668 -5.031 17414 2856 1 6 . 1 1 122 122 LEU HA H 122 4.809 5.099 -0.290 17414 2857 1 6 . 1 1 122 122 LEU CB C 122 45.915 45.135 0.780 17414 2858 1 6 . 1 1 123 123 GLU N N 123 118.694 121.255 -2.561 17414 2859 1 6 . 1 1 123 123 GLU HA H 123 4.515 4.880 -0.365 17414 2860 1 6 . 1 1 123 123 GLU CA C 123 54.697 55.156 -0.459 17414 2861 1 6 . 1 1 124 124 VAL N N 124 129.259 126.794 2.465 17414 2862 1 6 . 1 1 124 124 VAL HA H 124 4.065 4.187 -0.122 17414 2863 1 6 . 1 1 124 124 VAL CA C 124 61.193 61.919 -0.726 17414 2864 1 6 . 1 1 124 124 VAL CB C 124 33.607 32.367 1.240 17414 2865 1 6 . 1 1 125 125 GLU N N 125 128.432 128.095 0.337 17414 2866 1 6 . 1 1 125 125 GLU HA H 125 3.672 3.920 -0.248 17414 2867 1 6 . 1 1 125 125 GLU CA C 125 58.494 57.991 0.503 17414 2868 1 6 . 1 1 125 125 GLU CB C 125 30.552 29.527 1.025 17414 2869 1 6 . 1 1 126 126 GLU N N 126 120.993 126.313 -5.320 17414 2870 1 6 . 1 1 126 126 GLU HA H 126 3.570 4.141 -0.571 17414 2871 1 6 . 1 1 126 126 GLU CA C 126 61.229 59.091 2.138 17414 2872 1 6 . 1 1 126 126 GLU CB C 126 29.621 29.220 0.401 17414 2873 1 6 . 1 1 127 127 LEU N N 127 120.945 121.394 -0.449 17414 2874 1 6 . 1 1 127 127 LEU HA H 127 4.205 4.334 -0.129 17414 2875 1 6 . 1 1 127 127 LEU CA C 127 55.681 53.844 1.837 17414 2876 1 6 . 1 1 128 128 HIS HA H 128 4.584 4.619 -0.035 17414 2877 1 6 . 1 1 128 128 HIS CA C 128 54.566 55.242 -0.676 17414 2878 1 6 . 1 1 128 128 HIS CB C 128 26.062 29.899 -3.837 17414 2879 1 6 . 1 1 129 129 THR N N 129 105.639 114.042 -8.403 17414 2880 1 6 . 1 1 129 129 THR HA H 129 4.899 4.769 0.130 17414 2881 1 6 . 1 1 129 129 THR CA C 129 58.380 61.044 -2.664 17414 2882 1 6 . 1 1 129 129 THR CB C 129 72.980 70.853 2.127 17414 2883 1 6 . 1 1 130 130 LEU N N 130 111.598 120.240 -8.642 17414 2884 1 6 . 1 1 130 130 LEU HA H 130 5.537 5.322 0.215 17414 2885 1 6 . 1 1 130 130 LEU CA C 130 54.683 53.732 0.951 17414 2886 1 6 . 1 1 130 130 LEU CB C 130 44.277 45.500 -1.223 17414 2887 1 6 . 1 1 131 131 VAL N N 131 119.670 121.777 -2.107 17414 2888 1 6 . 1 1 131 131 VAL HA H 131 4.830 4.770 0.060 17414 2889 1 6 . 1 1 131 131 VAL CA C 131 61.285 62.494 -1.209 17414 2890 1 6 . 1 1 131 131 VAL CB C 131 30.272 31.960 -1.688 17414 2891 1 6 . 1 1 132 132 ALA N N 132 134.824 128.713 6.111 17414 2892 1 6 . 1 1 132 132 ALA HA H 132 4.931 4.870 0.061 17414 2893 1 6 . 1 1 132 132 ALA CA C 132 49.999 50.770 -0.771 17414 2894 1 6 . 1 1 132 132 ALA CB C 132 21.422 21.689 -0.267 17414 2895 1 6 . 1 1 133 133 GLU N N 133 118.979 125.038 -6.059 17414 2896 1 6 . 1 1 133 133 GLU HA H 133 3.826 4.079 -0.253 17414 2897 1 6 . 1 1 133 133 GLU CA C 133 57.065 57.753 -0.688 17414 2898 1 6 . 1 1 133 133 GLU CB C 133 26.406 28.341 -1.935 17414 2899 1 6 . 1 1 134 134 GLY N N 134 100.017 104.409 -4.392 17414 2900 1 6 . 1 1 134 134 GLY CA C 134 45.352 46.133 -0.781 17414 2901 1 6 . 1 1 135 135 VAL N N 135 122.381 119.875 2.506 17414 2902 1 6 . 1 1 135 135 VAL HA H 135 4.560 4.691 -0.131 17414 2903 1 6 . 1 1 135 135 VAL CA C 135 60.885 60.348 0.537 17414 2904 1 6 . 1 1 135 135 VAL CB C 135 32.542 35.505 -2.963 17414 2905 1 6 . 1 1 136 136 VAL N N 136 126.302 126.123 0.179 17414 2906 1 6 . 1 1 136 136 VAL HA H 136 4.254 4.740 -0.486 17414 2907 1 6 . 1 1 136 136 VAL CA C 136 63.608 61.554 2.054 17414 2908 1 6 . 1 1 136 136 VAL CB C 136 30.519 32.651 -2.132 17414 2909 1 6 . 1 1 137 137 VAL N N 137 118.757 121.220 -2.463 17414 2910 1 6 . 1 1 137 137 VAL HA H 137 5.743 5.222 0.521 17414 2911 1 6 . 1 1 137 137 VAL CA C 137 58.252 59.961 -1.709 17414 2912 1 6 . 1 1 137 137 VAL CB C 137 36.378 35.763 0.615 17414 2913 1 6 . 1 1 138 138 HIS N N 138 120.902 124.419 -3.517 17414 2914 1 6 . 1 1 138 138 HIS HA H 138 4.434 4.371 0.063 17414 2915 1 6 . 1 1 138 138 HIS CA C 138 56.439 57.582 -1.143 17414 2916 1 6 . 1 1 138 138 HIS CB C 138 30.583 30.193 0.390 17414 2917 1 7 . 1 1 2 2 LEU N N 2 122.945 121.721 1.224 17414 2918 1 7 . 1 1 2 2 LEU HA H 2 5.005 5.094 -0.089 17414 2919 1 7 . 1 1 2 2 LEU CA C 2 53.355 53.491 -0.136 17414 2920 1 7 . 1 1 2 2 LEU CB C 2 43.858 44.589 -0.731 17414 2921 1 7 . 1 1 3 3 ALA N N 3 121.232 127.078 -5.846 17414 2922 1 7 . 1 1 3 3 ALA HA H 3 4.730 4.944 -0.214 17414 2923 1 7 . 1 1 3 3 ALA CA C 3 52.302 51.432 0.870 17414 2924 1 7 . 1 1 3 3 ALA CB C 3 21.769 19.935 1.834 17414 2925 1 7 . 1 1 4 4 GLU N N 4 121.283 122.005 -0.722 17414 2926 1 7 . 1 1 4 4 GLU HA H 4 4.074 3.909 0.165 17414 2927 1 7 . 1 1 4 4 GLU CA C 4 57.136 58.464 -1.328 17414 2928 1 7 . 1 1 4 4 GLU CB C 4 31.847 29.516 2.331 17414 2929 1 7 . 1 1 5 5 GLY N N 5 119.858 115.038 4.820 17414 2930 1 7 . 1 1 5 5 GLY CA C 5 44.157 45.118 -0.961 17414 2931 1 7 . 1 1 6 6 THR N N 6 117.099 116.556 0.543 17414 2932 1 7 . 1 1 6 6 THR HA H 6 4.301 4.187 0.114 17414 2933 1 7 . 1 1 6 6 THR CA C 6 65.228 63.823 1.405 17414 2934 1 7 . 1 1 6 6 THR CB C 6 68.654 69.186 -0.532 17414 2935 1 7 . 1 1 7 7 ARG N N 7 130.107 127.255 2.852 17414 2936 1 7 . 1 1 7 7 ARG HA H 7 4.878 4.686 0.192 17414 2937 1 7 . 1 1 7 7 ARG CA C 7 55.868 56.099 -0.231 17414 2938 1 7 . 1 1 8 8 ILE N N 8 123.872 122.164 1.708 17414 2939 1 7 . 1 1 8 8 ILE HA H 8 4.531 4.679 -0.148 17414 2940 1 7 . 1 1 8 8 ILE CA C 8 59.240 60.491 -1.251 17414 2941 1 7 . 1 1 8 8 ILE CB C 8 40.450 40.491 -0.041 17414 2942 1 7 . 1 1 9 9 PHE N N 9 129.317 129.573 -0.256 17414 2943 1 7 . 1 1 9 9 PHE HA H 9 4.832 4.781 0.051 17414 2944 1 7 . 1 1 9 9 PHE CA C 9 56.960 57.693 -0.733 17414 2945 1 7 . 1 1 9 9 PHE CB C 9 40.542 39.714 0.828 17414 2946 1 7 . 1 1 10 10 ASP N N 10 128.073 128.229 -0.156 17414 2947 1 7 . 1 1 10 10 ASP HA H 10 5.529 4.991 0.538 17414 2948 1 7 . 1 1 10 10 ASP CA C 10 49.160 50.184 -1.024 17414 2949 1 7 . 1 1 10 10 ASP CB C 10 43.037 42.580 0.457 17414 2950 1 7 . 1 1 11 11 PRO HA H 11 3.974 4.366 -0.392 17414 2951 1 7 . 1 1 11 11 PRO CA C 11 62.348 64.630 -2.282 17414 2952 1 7 . 1 1 11 11 PRO CB C 11 30.977 32.142 -1.165 17414 2953 1 7 . 1 1 12 12 VAL N N 12 124.105 116.615 7.490 17414 2954 1 7 . 1 1 12 12 VAL HA H 12 3.591 3.656 -0.065 17414 2955 1 7 . 1 1 12 12 VAL CA C 12 64.849 65.520 -0.671 17414 2956 1 7 . 1 1 13 13 THR N N 13 107.133 109.430 -2.297 17414 2957 1 7 . 1 1 13 13 THR HA H 13 4.228 4.247 -0.019 17414 2958 1 7 . 1 1 13 13 THR CA C 13 60.944 62.836 -1.892 17414 2959 1 7 . 1 1 13 13 THR CB C 13 69.447 70.343 -0.896 17414 2960 1 7 . 1 1 14 14 GLY N N 14 112.897 111.574 1.323 17414 2961 1 7 . 1 1 14 14 GLY CA C 14 45.650 45.436 0.214 17414 2962 1 7 . 1 1 15 15 THR N N 15 117.286 116.085 1.201 17414 2963 1 7 . 1 1 15 15 THR HA H 15 4.276 4.653 -0.377 17414 2964 1 7 . 1 1 15 15 THR CA C 15 61.382 61.000 0.382 17414 2965 1 7 . 1 1 15 15 THR CB C 15 70.037 71.471 -1.434 17414 2966 1 7 . 1 1 16 16 THR N N 16 120.518 118.803 1.715 17414 2967 1 7 . 1 1 16 16 THR HA H 16 4.911 4.453 0.458 17414 2968 1 7 . 1 1 16 16 THR CA C 16 62.321 62.874 -0.553 17414 2969 1 7 . 1 1 16 16 THR CB C 16 69.184 69.010 0.174 17414 2970 1 7 . 1 1 17 17 HIS N N 17 127.011 126.331 0.680 17414 2971 1 7 . 1 1 17 17 HIS HA H 17 4.586 4.984 -0.398 17414 2972 1 7 . 1 1 17 17 HIS CA C 17 54.406 54.922 -0.516 17414 2973 1 7 . 1 1 17 17 HIS CB C 17 35.299 32.050 3.249 17414 2974 1 7 . 1 1 18 18 ARG N N 18 120.890 123.943 -3.053 17414 2975 1 7 . 1 1 18 18 ARG HA H 18 4.679 4.532 0.147 17414 2976 1 7 . 1 1 18 18 ARG CA C 18 54.802 55.417 -0.615 17414 2977 1 7 . 1 1 18 18 ARG CB C 18 29.657 31.580 -1.923 17414 2978 1 7 . 1 1 19 19 ILE N N 19 125.005 128.134 -3.129 17414 2979 1 7 . 1 1 19 19 ILE HA H 19 3.696 3.845 -0.149 17414 2980 1 7 . 1 1 19 19 ILE CA C 19 66.021 64.022 1.999 17414 2981 1 7 . 1 1 19 19 ILE CB C 19 37.936 37.712 0.224 17414 2982 1 7 . 1 1 20 20 GLU N N 20 123.813 120.791 3.022 17414 2983 1 7 . 1 1 20 20 GLU HA H 20 2.787 3.107 -0.320 17414 2984 1 7 . 1 1 20 20 GLU CA C 20 57.675 59.231 -1.556 17414 2985 1 7 . 1 1 20 20 GLU CB C 20 28.945 29.046 -0.101 17414 2986 1 7 . 1 1 21 21 ASP N N 21 123.330 120.233 3.097 17414 2987 1 7 . 1 1 21 21 ASP HA H 21 4.489 4.362 0.127 17414 2988 1 7 . 1 1 21 21 ASP CA C 21 55.734 56.674 -0.940 17414 2989 1 7 . 1 1 21 21 ASP CB C 21 40.038 40.657 -0.619 17414 2990 1 7 . 1 1 22 22 VAL N N 22 121.407 119.811 1.596 17414 2991 1 7 . 1 1 22 22 VAL HA H 22 3.303 3.542 -0.239 17414 2992 1 7 . 1 1 22 22 VAL CA C 22 65.768 66.430 -0.662 17414 2993 1 7 . 1 1 22 22 VAL CB C 22 31.327 31.531 -0.204 17414 2994 1 7 . 1 1 23 23 VAL N N 23 116.800 120.705 -3.905 17414 2995 1 7 . 1 1 23 23 VAL HA H 23 3.928 3.825 0.103 17414 2996 1 7 . 1 1 23 23 VAL CA C 23 66.310 66.510 -0.200 17414 2997 1 7 . 1 1 24 24 GLY N N 24 120.577 108.366 12.211 17414 2998 1 7 . 1 1 25 25 GLY N N 25 103.034 108.226 -5.192 17414 2999 1 7 . 1 1 25 25 GLY CA C 25 43.755 44.774 -1.019 17414 3000 1 7 . 1 1 26 26 ARG N N 26 122.306 114.820 7.486 17414 3001 1 7 . 1 1 26 26 ARG HA H 26 1.544 2.984 -1.440 17414 3002 1 7 . 1 1 26 26 ARG CA C 26 55.119 56.182 -1.063 17414 3003 1 7 . 1 1 26 26 ARG CB C 26 26.620 28.060 -1.440 17414 3004 1 7 . 1 1 27 27 LYS N N 27 115.887 118.794 -2.907 17414 3005 1 7 . 1 1 27 27 LYS HA H 27 4.168 4.297 -0.129 17414 3006 1 7 . 1 1 27 27 LYS CB C 27 33.503 32.160 1.343 17414 3007 1 7 . 1 1 28 28 PRO HA H 28 5.145 4.688 0.457 17414 3008 1 7 . 1 1 28 28 PRO CA C 28 61.507 63.569 -2.062 17414 3009 1 7 . 1 1 28 28 PRO CB C 28 27.787 31.690 -3.903 17414 3010 1 7 . 1 1 29 29 ILE N N 29 116.657 119.734 -3.077 17414 3011 1 7 . 1 1 29 29 ILE HA H 29 4.443 4.287 0.156 17414 3012 1 7 . 1 1 29 29 ILE CA C 29 60.723 62.046 -1.323 17414 3013 1 7 . 1 1 29 29 ILE CB C 29 38.563 38.508 0.055 17414 3014 1 7 . 1 1 30 30 HIS N N 30 118.274 120.658 -2.384 17414 3015 1 7 . 1 1 30 30 HIS HA H 30 5.152 5.329 -0.177 17414 3016 1 7 . 1 1 30 30 HIS CA C 30 55.902 54.029 1.873 17414 3017 1 7 . 1 1 30 30 HIS CB C 30 30.925 34.147 -3.222 17414 3018 1 7 . 1 1 31 31 VAL N N 31 107.262 115.831 -8.569 17414 3019 1 7 . 1 1 31 31 VAL HA H 31 5.212 4.850 0.362 17414 3020 1 7 . 1 1 31 31 VAL CA C 31 57.692 59.233 -1.541 17414 3021 1 7 . 1 1 31 31 VAL CB C 31 34.153 36.338 -2.185 17414 3022 1 7 . 1 1 32 32 VAL N N 32 119.900 122.807 -2.907 17414 3023 1 7 . 1 1 32 32 VAL HA H 32 4.246 4.704 -0.458 17414 3024 1 7 . 1 1 32 32 VAL CA C 32 62.504 61.299 1.205 17414 3025 1 7 . 1 1 33 33 ALA N N 33 128.967 130.080 -1.113 17414 3026 1 7 . 1 1 33 33 ALA HA H 33 4.522 5.144 -0.622 17414 3027 1 7 . 1 1 33 33 ALA CA C 33 49.594 50.003 -0.409 17414 3028 1 7 . 1 1 33 33 ALA CB C 33 23.635 22.981 0.654 17414 3029 1 7 . 1 1 34 34 ALA N N 34 121.236 122.071 -0.835 17414 3030 1 7 . 1 1 34 34 ALA HA H 34 5.207 5.413 -0.206 17414 3031 1 7 . 1 1 34 34 ALA CA C 34 49.704 50.144 -0.440 17414 3032 1 7 . 1 1 35 35 ALA N N 35 125.943 123.509 2.434 17414 3033 1 7 . 1 1 35 35 ALA HA H 35 4.633 4.674 -0.041 17414 3034 1 7 . 1 1 35 35 ALA CA C 35 50.168 49.914 0.254 17414 3035 1 7 . 1 1 35 35 ALA CB C 35 20.121 21.771 -1.650 17414 3036 1 7 . 1 1 36 36 LYS N N 36 121.159 118.229 2.930 17414 3037 1 7 . 1 1 36 36 LYS HA H 36 4.272 4.079 0.193 17414 3038 1 7 . 1 1 36 36 LYS CA C 36 58.723 58.822 -0.099 17414 3039 1 7 . 1 1 37 37 ASP N N 37 115.815 117.100 -1.285 17414 3040 1 7 . 1 1 37 37 ASP HA H 37 4.526 4.724 -0.198 17414 3041 1 7 . 1 1 37 37 ASP CA C 37 52.534 54.209 -1.675 17414 3042 1 7 . 1 1 37 37 ASP CB C 37 39.654 41.309 -1.655 17414 3043 1 7 . 1 1 38 38 GLY N N 38 107.649 107.866 -0.217 17414 3044 1 7 . 1 1 38 38 GLY CA C 38 45.025 45.122 -0.097 17414 3045 1 7 . 1 1 39 39 THR N N 39 110.428 112.113 -1.685 17414 3046 1 7 . 1 1 39 39 THR HA H 39 4.265 4.416 -0.151 17414 3047 1 7 . 1 1 39 39 THR CA C 39 60.883 61.925 -1.042 17414 3048 1 7 . 1 1 39 39 THR CB C 39 70.144 71.581 -1.437 17414 3049 1 7 . 1 1 40 40 LEU N N 40 120.829 124.043 -3.214 17414 3050 1 7 . 1 1 40 40 LEU HA H 40 5.312 5.535 -0.223 17414 3051 1 7 . 1 1 40 40 LEU CA C 40 53.146 53.987 -0.841 17414 3052 1 7 . 1 1 40 40 LEU CB C 40 41.870 43.413 -1.543 17414 3053 1 7 . 1 1 41 41 HIS N N 41 120.175 124.237 -4.062 17414 3054 1 7 . 1 1 41 41 HIS HA H 41 4.622 5.337 -0.715 17414 3055 1 7 . 1 1 41 41 HIS CA C 41 54.675 54.990 -0.315 17414 3056 1 7 . 1 1 41 41 HIS CB C 41 35.374 33.687 1.687 17414 3057 1 7 . 1 1 42 42 ALA N N 42 125.084 127.606 -2.522 17414 3058 1 7 . 1 1 42 42 ALA HA H 42 5.530 4.496 1.034 17414 3059 1 7 . 1 1 42 42 ALA CA C 42 50.934 52.494 -1.560 17414 3060 1 7 . 1 1 42 42 ALA CB C 42 18.920 19.451 -0.531 17414 3061 1 7 . 1 1 43 43 ARG N N 43 124.440 121.371 3.069 17414 3062 1 7 . 1 1 43 43 ARG HA H 43 5.177 4.875 0.302 17414 3063 1 7 . 1 1 43 43 ARG CA C 43 50.736 52.749 -2.013 17414 3064 1 7 . 1 1 43 43 ARG CB C 43 35.105 32.803 2.302 17414 3065 1 7 . 1 1 44 44 PRO HA H 44 4.506 3.970 0.536 17414 3066 1 7 . 1 1 44 44 PRO CA C 44 61.661 62.005 -0.344 17414 3067 1 7 . 1 1 44 44 PRO CB C 44 32.437 32.092 0.345 17414 3068 1 7 . 1 1 45 45 VAL N N 45 119.113 120.258 -1.145 17414 3069 1 7 . 1 1 45 45 VAL HA H 45 4.195 4.282 -0.087 17414 3070 1 7 . 1 1 45 45 VAL CA C 45 61.770 61.516 0.254 17414 3071 1 7 . 1 1 45 45 VAL CB C 45 32.099 33.022 -0.923 17414 3072 1 7 . 1 1 46 46 VAL N N 46 114.811 119.750 -4.939 17414 3073 1 7 . 1 1 46 46 VAL HA H 46 4.117 4.290 -0.173 17414 3074 1 7 . 1 1 46 46 VAL CA C 46 59.689 60.846 -1.157 17414 3075 1 7 . 1 1 46 46 VAL CB C 46 33.207 33.279 -0.072 17414 3076 1 7 . 1 1 47 47 SER N N 47 113.271 113.456 -0.185 17414 3077 1 7 . 1 1 47 47 SER HA H 47 3.992 4.207 -0.215 17414 3078 1 7 . 1 1 47 47 SER CA C 47 56.916 56.253 0.663 17414 3079 1 7 . 1 1 47 47 SER CB C 47 65.285 64.921 0.364 17414 3080 1 7 . 1 1 48 48 TRP N N 48 120.998 126.130 -5.132 17414 3081 1 7 . 1 1 48 48 TRP HA H 48 4.518 5.185 -0.667 17414 3082 1 7 . 1 1 48 48 TRP CA C 48 58.275 56.181 2.094 17414 3083 1 7 . 1 1 48 48 TRP CB C 48 32.474 32.465 0.009 17414 3084 1 7 . 1 1 49 49 PHE N N 49 120.098 121.539 -1.441 17414 3085 1 7 . 1 1 49 49 PHE HA H 49 5.159 5.087 0.072 17414 3086 1 7 . 1 1 49 49 PHE CA C 49 55.741 56.227 -0.486 17414 3087 1 7 . 1 1 49 49 PHE CB C 49 40.992 43.271 -2.279 17414 3088 1 7 . 1 1 50 50 ASP N N 50 127.259 122.468 4.791 17414 3089 1 7 . 1 1 50 50 ASP HA H 50 4.829 4.968 -0.139 17414 3090 1 7 . 1 1 50 50 ASP CA C 50 53.464 53.237 0.227 17414 3091 1 7 . 1 1 50 50 ASP CB C 50 40.713 41.902 -1.189 17414 3092 1 7 . 1 1 51 51 GLN N N 51 123.758 122.253 1.505 17414 3093 1 7 . 1 1 51 51 GLN HA H 51 4.902 4.620 0.282 17414 3094 1 7 . 1 1 51 51 GLN CA C 51 55.613 54.923 0.690 17414 3095 1 7 . 1 1 52 52 GLY N N 52 108.682 109.226 -0.544 17414 3096 1 7 . 1 1 52 52 GLY CA C 52 44.063 44.019 0.044 17414 3097 1 7 . 1 1 53 53 THR N N 53 118.925 111.890 7.035 17414 3098 1 7 . 1 1 53 53 THR HA H 53 4.734 4.181 0.553 17414 3099 1 7 . 1 1 53 53 THR CA C 53 62.734 62.658 0.076 17414 3100 1 7 . 1 1 53 53 THR CB C 53 67.881 66.564 1.317 17414 3101 1 7 . 1 1 54 54 ARG N N 54 125.981 118.998 6.983 17414 3102 1 7 . 1 1 54 54 ARG HA H 54 4.677 4.840 -0.163 17414 3103 1 7 . 1 1 54 54 ARG CA C 54 53.580 53.995 -0.415 17414 3104 1 7 . 1 1 54 54 ARG CB C 54 35.619 34.718 0.901 17414 3105 1 7 . 1 1 55 55 ASP N N 55 119.621 120.570 -0.949 17414 3106 1 7 . 1 1 55 55 ASP HA H 55 4.973 5.166 -0.193 17414 3107 1 7 . 1 1 55 55 ASP CA C 55 54.236 54.680 -0.444 17414 3108 1 7 . 1 1 55 55 ASP CB C 55 40.704 41.063 -0.359 17414 3109 1 7 . 1 1 56 56 VAL N N 56 114.565 117.964 -3.399 17414 3110 1 7 . 1 1 56 56 VAL HA H 56 4.804 4.894 -0.090 17414 3111 1 7 . 1 1 56 56 VAL CA C 56 58.672 59.402 -0.730 17414 3112 1 7 . 1 1 56 56 VAL CB C 56 34.813 36.051 -1.238 17414 3113 1 7 . 1 1 57 57 ILE N N 57 114.855 120.983 -6.128 17414 3114 1 7 . 1 1 57 57 ILE HA H 57 4.740 5.014 -0.274 17414 3115 1 7 . 1 1 57 57 ILE CA C 57 58.799 59.336 -0.537 17414 3116 1 7 . 1 1 57 57 ILE CB C 57 41.197 40.014 1.183 17414 3117 1 7 . 1 1 58 58 GLY N N 58 107.378 109.094 -1.716 17414 3118 1 7 . 1 1 58 58 GLY CA C 58 43.036 43.403 -0.367 17414 3119 1 7 . 1 1 59 59 LEU N N 59 124.061 125.427 -1.366 17414 3120 1 7 . 1 1 59 59 LEU HA H 59 4.677 4.806 -0.129 17414 3121 1 7 . 1 1 59 59 LEU CA C 59 52.282 53.523 -1.241 17414 3122 1 7 . 1 1 59 59 LEU CB C 59 42.668 42.784 -0.116 17414 3123 1 7 . 1 1 60 60 ARG N N 60 124.178 125.377 -1.199 17414 3124 1 7 . 1 1 60 60 ARG HA H 60 4.799 4.908 -0.109 17414 3125 1 7 . 1 1 61 61 ILE N N 61 128.222 127.253 0.969 17414 3126 1 7 . 1 1 61 61 ILE HA H 61 4.492 4.528 -0.036 17414 3127 1 7 . 1 1 61 61 ILE CA C 61 58.741 60.152 -1.411 17414 3128 1 7 . 1 1 61 61 ILE CB C 61 37.622 39.078 -1.456 17414 3129 1 7 . 1 1 62 62 ALA N N 62 128.005 131.889 -3.884 17414 3130 1 7 . 1 1 62 62 ALA HA H 62 4.108 3.988 0.120 17414 3131 1 7 . 1 1 62 62 ALA CA C 62 54.129 53.318 0.811 17414 3132 1 7 . 1 1 62 62 ALA CB C 62 18.002 17.998 0.004 17414 3133 1 7 . 1 1 63 63 GLY CA C 63 44.912 45.521 -0.609 17414 3134 1 7 . 1 1 64 64 GLY N N 64 107.906 108.279 -0.373 17414 3135 1 7 . 1 1 64 64 GLY CA C 64 44.751 46.433 -1.682 17414 3136 1 7 . 1 1 65 65 ALA N N 65 125.759 123.788 1.971 17414 3137 1 7 . 1 1 65 65 ALA HA H 65 4.394 4.629 -0.235 17414 3138 1 7 . 1 1 65 65 ALA CA C 65 51.764 51.338 0.426 17414 3139 1 7 . 1 1 65 65 ALA CB C 65 19.458 21.430 -1.972 17414 3140 1 7 . 1 1 66 66 ILE N N 66 118.136 119.586 -1.450 17414 3141 1 7 . 1 1 66 66 ILE HA H 66 4.705 5.104 -0.399 17414 3142 1 7 . 1 1 66 66 ILE CA C 66 59.670 59.551 0.119 17414 3143 1 7 . 1 1 66 66 ILE CB C 66 40.415 42.498 -2.083 17414 3144 1 7 . 1 1 67 67 LEU N N 67 127.715 127.357 0.358 17414 3145 1 7 . 1 1 67 67 LEU HA H 67 4.728 4.992 -0.264 17414 3146 1 7 . 1 1 67 67 LEU CA C 67 53.331 53.646 -0.315 17414 3147 1 7 . 1 1 67 67 LEU CB C 67 44.102 45.807 -1.705 17414 3148 1 7 . 1 1 68 68 TRP N N 68 129.332 127.855 1.477 17414 3149 1 7 . 1 1 68 68 TRP HA H 68 5.672 5.516 0.156 17414 3150 1 7 . 1 1 68 68 TRP CA C 68 54.812 56.080 -1.268 17414 3151 1 7 . 1 1 68 68 TRP CB C 68 29.742 31.352 -1.610 17414 3152 1 7 . 1 1 69 69 ALA N N 69 124.233 123.049 1.184 17414 3153 1 7 . 1 1 69 69 ALA HA H 69 5.243 4.845 0.398 17414 3154 1 7 . 1 1 69 69 ALA CA C 69 49.203 51.237 -2.034 17414 3155 1 7 . 1 1 69 69 ALA CB C 69 22.138 23.202 -1.064 17414 3156 1 7 . 1 1 70 70 THR N N 70 111.459 110.904 0.555 17414 3157 1 7 . 1 1 70 70 THR HA H 70 5.152 4.842 0.310 17414 3158 1 7 . 1 1 70 70 THR CA C 70 60.495 60.339 0.156 17414 3159 1 7 . 1 1 70 70 THR CB C 70 67.570 68.937 -1.367 17414 3160 1 7 . 1 1 71 71 PRO HA H 71 4.165 4.355 -0.190 17414 3161 1 7 . 1 1 71 71 PRO CA C 71 64.390 65.598 -1.208 17414 3162 1 7 . 1 1 72 72 ASP N N 72 112.234 116.530 -4.296 17414 3163 1 7 . 1 1 72 72 ASP HA H 72 4.505 4.682 -0.177 17414 3164 1 7 . 1 1 72 72 ASP CA C 72 52.827 54.885 -2.058 17414 3165 1 7 . 1 1 73 73 HIS N N 73 125.389 119.828 5.561 17414 3166 1 7 . 1 1 73 73 HIS HA H 73 3.796 4.511 -0.715 17414 3167 1 7 . 1 1 73 73 HIS CA C 73 58.310 56.509 1.801 17414 3168 1 7 . 1 1 73 73 HIS CB C 73 32.385 30.492 1.893 17414 3169 1 7 . 1 1 74 74 LYS N N 74 127.412 125.665 1.747 17414 3170 1 7 . 1 1 74 74 LYS HA H 74 4.661 4.596 0.065 17414 3171 1 7 . 1 1 74 74 LYS CA C 74 56.845 56.233 0.612 17414 3172 1 7 . 1 1 75 75 VAL N N 75 125.726 124.837 0.889 17414 3173 1 7 . 1 1 75 75 VAL HA H 75 4.754 4.857 -0.103 17414 3174 1 7 . 1 1 75 75 VAL CA C 75 60.739 61.211 -0.472 17414 3175 1 7 . 1 1 75 75 VAL CB C 75 35.276 34.454 0.822 17414 3176 1 7 . 1 1 76 76 LEU N N 76 129.759 129.920 -0.161 17414 3177 1 7 . 1 1 76 76 LEU HA H 76 3.514 4.180 -0.666 17414 3178 1 7 . 1 1 76 76 LEU CA C 76 55.222 54.337 0.885 17414 3179 1 7 . 1 1 76 76 LEU CB C 76 39.052 41.937 -2.885 17414 3180 1 7 . 1 1 77 77 THR N N 77 116.138 116.924 -0.786 17414 3181 1 7 . 1 1 77 77 THR HA H 77 5.295 4.880 0.415 17414 3182 1 7 . 1 1 77 77 THR CA C 77 59.543 60.275 -0.732 17414 3183 1 7 . 1 1 78 78 GLU N N 78 119.986 119.628 0.358 17414 3184 1 7 . 1 1 78 78 GLU HA H 78 3.558 3.827 -0.269 17414 3185 1 7 . 1 1 78 78 GLU CA C 78 57.551 58.170 -0.619 17414 3186 1 7 . 1 1 78 78 GLU CB C 78 28.385 28.681 -0.296 17414 3187 1 7 . 1 1 79 79 TYR N N 79 117.251 118.330 -1.079 17414 3188 1 7 . 1 1 79 79 TYR HA H 79 4.749 4.547 0.202 17414 3189 1 7 . 1 1 79 79 TYR CA C 79 55.553 58.078 -2.525 17414 3190 1 7 . 1 1 79 79 TYR CB C 79 37.935 38.975 -1.040 17414 3191 1 7 . 1 1 80 80 GLY N N 80 106.884 107.345 -0.461 17414 3192 1 7 . 1 1 80 80 GLY CA C 80 42.757 44.319 -1.562 17414 3193 1 7 . 1 1 81 81 TRP N N 81 125.593 123.009 2.584 17414 3194 1 7 . 1 1 81 81 TRP HA H 81 4.884 5.182 -0.298 17414 3195 1 7 . 1 1 81 81 TRP CA C 81 57.790 57.532 0.258 17414 3196 1 7 . 1 1 81 81 TRP CB C 81 29.255 30.757 -1.502 17414 3197 1 7 . 1 1 82 82 ARG N N 82 124.625 122.279 2.346 17414 3198 1 7 . 1 1 82 82 ARG HA H 82 4.773 5.014 -0.241 17414 3199 1 7 . 1 1 82 82 ARG CA C 82 53.895 54.050 -0.155 17414 3200 1 7 . 1 1 83 83 ALA N N 83 125.891 127.293 -1.402 17414 3201 1 7 . 1 1 83 83 ALA HA H 83 4.293 4.364 -0.071 17414 3202 1 7 . 1 1 83 83 ALA CA C 83 51.686 52.635 -0.949 17414 3203 1 7 . 1 1 84 84 ALA N N 84 125.790 125.945 -0.155 17414 3204 1 7 . 1 1 84 84 ALA HA H 84 3.930 4.057 -0.127 17414 3205 1 7 . 1 1 84 84 ALA CB C 84 17.269 18.585 -1.316 17414 3206 1 7 . 1 1 85 85 GLY N N 85 102.306 105.803 -3.497 17414 3207 1 7 . 1 1 86 86 GLU N N 86 117.564 118.340 -0.776 17414 3208 1 7 . 1 1 86 86 GLU HA H 86 4.414 4.486 -0.072 17414 3209 1 7 . 1 1 86 86 GLU CA C 86 55.233 55.516 -0.283 17414 3210 1 7 . 1 1 86 86 GLU CB C 86 30.231 29.710 0.521 17414 3211 1 7 . 1 1 87 87 LEU N N 87 119.746 122.768 -3.022 17414 3212 1 7 . 1 1 87 87 LEU HA H 87 4.417 4.801 -0.384 17414 3213 1 7 . 1 1 87 87 LEU CA C 87 54.274 53.378 0.896 17414 3214 1 7 . 1 1 87 87 LEU CB C 87 41.471 43.034 -1.563 17414 3215 1 7 . 1 1 88 88 ARG N N 88 120.899 123.623 -2.724 17414 3216 1 7 . 1 1 88 88 ARG HA H 88 4.627 4.906 -0.279 17414 3217 1 7 . 1 1 88 88 ARG CA C 88 52.594 53.910 -1.316 17414 3218 1 7 . 1 1 89 89 LYS N N 89 119.795 124.469 -4.674 17414 3219 1 7 . 1 1 89 89 LYS HA H 89 3.669 4.025 -0.356 17414 3220 1 7 . 1 1 89 89 LYS CA C 89 57.770 58.001 -0.231 17414 3221 1 7 . 1 1 90 90 GLY N N 90 115.070 112.622 2.448 17414 3222 1 7 . 1 1 90 90 GLY CA C 90 44.499 45.364 -0.865 17414 3223 1 7 . 1 1 91 91 ASP N N 91 121.652 121.245 0.407 17414 3224 1 7 . 1 1 91 91 ASP HA H 91 4.716 4.775 -0.059 17414 3225 1 7 . 1 1 91 91 ASP CA C 91 55.866 53.918 1.948 17414 3226 1 7 . 1 1 92 92 ARG N N 92 117.826 123.684 -5.858 17414 3227 1 7 . 1 1 92 92 ARG HA H 92 5.241 5.063 0.178 17414 3228 1 7 . 1 1 92 92 ARG CA C 92 54.976 55.763 -0.787 17414 3229 1 7 . 1 1 92 92 ARG CB C 92 31.655 31.520 0.135 17414 3230 1 7 . 1 1 93 93 VAL N N 93 115.034 118.388 -3.354 17414 3231 1 7 . 1 1 93 93 VAL HA H 93 4.839 4.913 -0.074 17414 3232 1 7 . 1 1 93 93 VAL CA C 93 58.222 58.993 -0.771 17414 3233 1 7 . 1 1 94 94 ALA N N 94 126.192 124.717 1.475 17414 3234 1 7 . 1 1 94 94 ALA HA H 94 4.271 3.632 0.639 17414 3235 1 7 . 1 1 94 94 ALA CA C 94 50.975 51.684 -0.709 17414 3236 1 7 . 1 1 94 94 ALA CB C 94 18.748 18.769 -0.021 17414 3237 1 7 . 1 1 95 95 VAL N N 95 115.179 116.659 -1.480 17414 3238 1 7 . 1 1 95 95 VAL HA H 95 5.317 5.001 0.316 17414 3239 1 7 . 1 1 95 95 VAL CA C 95 57.154 58.785 -1.631 17414 3240 1 7 . 1 1 95 95 VAL CB C 95 35.186 35.778 -0.592 17414 3241 1 7 . 1 1 96 96 ARG N N 96 119.288 122.065 -2.777 17414 3242 1 7 . 1 1 96 96 ARG HA H 96 4.230 4.962 -0.732 17414 3243 1 7 . 1 1 96 96 ARG CA C 96 53.613 54.331 -0.718 17414 3244 1 7 . 1 1 96 96 ARG CB C 96 31.697 33.468 -1.771 17414 3245 1 7 . 1 1 97 97 ASP N N 97 131.180 125.749 5.431 17414 3246 1 7 . 1 1 97 97 ASP HA H 97 4.415 4.802 -0.387 17414 3247 1 7 . 1 1 97 97 ASP CA C 97 53.887 52.903 0.984 17414 3248 1 7 . 1 1 97 97 ASP CB C 97 42.723 42.146 0.577 17414 3249 1 7 . 1 1 98 98 VAL N N 98 126.152 126.104 0.048 17414 3250 1 7 . 1 1 98 98 VAL HA H 98 3.489 3.943 -0.454 17414 3251 1 7 . 1 1 98 98 VAL CA C 98 64.431 64.193 0.238 17414 3252 1 7 . 1 1 98 98 VAL CB C 98 31.047 31.837 -0.790 17414 3253 1 7 . 1 1 99 99 GLU N N 99 118.883 121.461 -2.578 17414 3254 1 7 . 1 1 99 99 GLU HA H 99 4.127 4.088 0.039 17414 3255 1 7 . 1 1 99 99 GLU CA C 99 58.178 58.998 -0.820 17414 3256 1 7 . 1 1 99 99 GLU CB C 99 29.591 29.798 -0.207 17414 3257 1 7 . 1 1 100 100 THR N N 100 106.301 107.909 -1.608 17414 3258 1 7 . 1 1 100 100 THR HA H 100 4.316 4.452 -0.136 17414 3259 1 7 . 1 1 100 100 THR CA C 100 61.407 62.015 -0.608 17414 3260 1 7 . 1 1 100 100 THR CB C 100 70.856 70.605 0.251 17414 3261 1 7 . 1 1 101 101 GLY N N 101 111.204 111.881 -0.677 17414 3262 1 7 . 1 1 101 101 GLY CA C 101 45.284 45.514 -0.230 17414 3263 1 7 . 1 1 102 102 GLU N N 102 118.458 120.535 -2.077 17414 3264 1 7 . 1 1 102 102 GLU HA H 102 4.301 4.395 -0.094 17414 3265 1 7 . 1 1 102 102 GLU CA C 102 55.160 56.126 -0.966 17414 3266 1 7 . 1 1 102 102 GLU CB C 102 31.769 30.975 0.794 17414 3267 1 7 . 1 1 103 103 LEU N N 103 121.701 120.262 1.439 17414 3268 1 7 . 1 1 103 103 LEU HA H 103 4.716 4.785 -0.069 17414 3269 1 7 . 1 1 103 103 LEU CA C 103 54.930 53.668 1.262 17414 3270 1 7 . 1 1 103 103 LEU CB C 103 42.346 42.996 -0.650 17414 3271 1 7 . 1 1 104 104 ARG N N 104 127.157 119.773 7.384 17414 3272 1 7 . 1 1 104 104 ARG HA H 104 4.403 5.186 -0.783 17414 3273 1 7 . 1 1 104 104 ARG CA C 104 53.201 53.787 -0.586 17414 3274 1 7 . 1 1 104 104 ARG CB C 104 32.989 33.880 -0.891 17414 3275 1 7 . 1 1 105 105 TYR N N 105 116.202 116.272 -0.070 17414 3276 1 7 . 1 1 105 105 TYR HA H 105 5.490 5.471 0.019 17414 3277 1 7 . 1 1 105 105 TYR CA C 105 56.831 56.643 0.188 17414 3278 1 7 . 1 1 105 105 TYR CB C 105 40.116 43.162 -3.046 17414 3279 1 7 . 1 1 106 106 SER N N 106 118.250 115.191 3.059 17414 3280 1 7 . 1 1 106 106 SER HA H 106 4.807 5.077 -0.270 17414 3281 1 7 . 1 1 106 106 SER CA C 106 55.888 57.574 -1.686 17414 3282 1 7 . 1 1 106 106 SER CB C 106 66.301 67.000 -0.699 17414 3283 1 7 . 1 1 107 107 VAL N N 107 122.160 118.234 3.926 17414 3284 1 7 . 1 1 107 107 VAL HA H 107 4.423 4.612 -0.189 17414 3285 1 7 . 1 1 107 107 VAL CA C 107 61.369 60.754 0.615 17414 3286 1 7 . 1 1 107 107 VAL CB C 107 33.633 33.332 0.301 17414 3287 1 7 . 1 1 108 108 ILE N N 108 123.427 124.420 -0.993 17414 3288 1 7 . 1 1 108 108 ILE HA H 108 4.100 4.253 -0.153 17414 3289 1 7 . 1 1 108 108 ILE CA C 108 61.321 61.162 0.159 17414 3290 1 7 . 1 1 108 108 ILE CB C 108 37.408 38.374 -0.966 17414 3291 1 7 . 1 1 109 109 ARG N N 109 130.207 126.068 4.139 17414 3292 1 7 . 1 1 109 109 ARG HA H 109 4.254 4.450 -0.196 17414 3293 1 7 . 1 1 109 109 ARG CA C 109 55.904 57.316 -1.412 17414 3294 1 7 . 1 1 110 110 GLU N N 110 116.804 117.871 -1.067 17414 3295 1 7 . 1 1 110 110 GLU HA H 110 4.274 4.612 -0.338 17414 3296 1 7 . 1 1 110 110 GLU CA C 110 55.889 56.215 -0.326 17414 3297 1 7 . 1 1 110 110 GLU CB C 110 33.186 33.578 -0.392 17414 3298 1 7 . 1 1 111 111 VAL N N 111 125.709 127.139 -1.430 17414 3299 1 7 . 1 1 111 111 VAL HA H 111 4.709 4.483 0.226 17414 3300 1 7 . 1 1 111 111 VAL CA C 111 60.903 61.832 -0.929 17414 3301 1 7 . 1 1 111 111 VAL CB C 111 31.927 32.754 -0.827 17414 3302 1 7 . 1 1 112 112 LEU N N 112 132.638 128.667 3.971 17414 3303 1 7 . 1 1 112 112 LEU HA H 112 4.741 4.841 -0.100 17414 3304 1 7 . 1 1 112 112 LEU CA C 112 52.655 51.564 1.091 17414 3305 1 7 . 1 1 112 112 LEU CB C 112 40.998 41.806 -0.808 17414 3306 1 7 . 1 1 113 113 PRO HA H 113 4.532 4.582 -0.050 17414 3307 1 7 . 1 1 113 113 PRO CA C 113 61.916 62.812 -0.896 17414 3308 1 7 . 1 1 113 113 PRO CB C 113 32.608 32.131 0.477 17414 3309 1 7 . 1 1 114 114 THR N N 114 112.542 112.587 -0.045 17414 3310 1 7 . 1 1 114 114 THR HA H 114 4.973 4.656 0.317 17414 3311 1 7 . 1 1 114 114 THR CA C 114 61.865 61.576 0.289 17414 3312 1 7 . 1 1 114 114 THR CB C 114 69.345 70.160 -0.815 17414 3313 1 7 . 1 1 115 115 ARG N N 115 123.213 120.206 3.007 17414 3314 1 7 . 1 1 115 115 ARG HA H 115 4.694 4.993 -0.299 17414 3315 1 7 . 1 1 115 115 ARG CA C 115 54.302 54.352 -0.050 17414 3316 1 7 . 1 1 115 115 ARG CB C 115 32.684 33.969 -1.285 17414 3317 1 7 . 1 1 116 116 ARG N N 116 119.004 122.034 -3.030 17414 3318 1 7 . 1 1 116 116 ARG HA H 116 4.879 4.660 0.219 17414 3319 1 7 . 1 1 116 116 ARG CA C 116 54.554 56.411 -1.857 17414 3320 1 7 . 1 1 116 116 ARG CB C 116 30.285 30.706 -0.421 17414 3321 1 7 . 1 1 117 117 ALA N N 117 124.834 124.524 0.310 17414 3322 1 7 . 1 1 117 117 ALA HA H 117 4.599 4.774 -0.175 17414 3323 1 7 . 1 1 117 117 ALA CA C 117 50.434 51.040 -0.606 17414 3324 1 7 . 1 1 117 117 ALA CB C 117 23.139 23.020 0.119 17414 3325 1 7 . 1 1 118 118 ARG N N 118 120.885 119.272 1.613 17414 3326 1 7 . 1 1 118 118 ARG HA H 118 3.925 4.723 -0.798 17414 3327 1 7 . 1 1 118 118 ARG CA C 118 57.559 55.857 1.702 17414 3328 1 7 . 1 1 118 118 ARG CB C 118 30.409 31.928 -1.519 17414 3329 1 7 . 1 1 119 119 THR N N 119 111.492 113.268 -1.776 17414 3330 1 7 . 1 1 119 119 THR HA H 119 5.309 5.744 -0.435 17414 3331 1 7 . 1 1 119 119 THR CA C 119 60.071 59.674 0.397 17414 3332 1 7 . 1 1 119 119 THR CB C 119 72.737 72.072 0.665 17414 3333 1 7 . 1 1 120 120 PHE N N 120 113.949 119.747 -5.798 17414 3334 1 7 . 1 1 120 120 PHE HA H 120 5.311 5.348 -0.037 17414 3335 1 7 . 1 1 120 120 PHE CA C 120 57.898 56.363 1.535 17414 3336 1 7 . 1 1 120 120 PHE CB C 120 46.203 43.483 2.720 17414 3337 1 7 . 1 1 121 121 ASP N N 121 118.841 120.952 -2.111 17414 3338 1 7 . 1 1 121 121 ASP HA H 121 5.352 5.468 -0.116 17414 3339 1 7 . 1 1 121 121 ASP CA C 121 55.227 53.318 1.909 17414 3340 1 7 . 1 1 121 121 ASP CB C 121 47.673 44.328 3.345 17414 3341 1 7 . 1 1 122 122 LEU N N 122 118.637 126.723 -8.086 17414 3342 1 7 . 1 1 122 122 LEU HA H 122 4.809 5.125 -0.316 17414 3343 1 7 . 1 1 122 122 LEU CB C 122 45.915 45.698 0.217 17414 3344 1 7 . 1 1 123 123 GLU N N 123 118.694 122.362 -3.668 17414 3345 1 7 . 1 1 123 123 GLU HA H 123 4.515 4.957 -0.442 17414 3346 1 7 . 1 1 123 123 GLU CA C 123 54.697 55.088 -0.391 17414 3347 1 7 . 1 1 124 124 VAL N N 124 129.259 127.724 1.535 17414 3348 1 7 . 1 1 124 124 VAL HA H 124 4.065 4.126 -0.061 17414 3349 1 7 . 1 1 124 124 VAL CA C 124 61.193 61.827 -0.634 17414 3350 1 7 . 1 1 124 124 VAL CB C 124 33.607 31.295 2.312 17414 3351 1 7 . 1 1 125 125 GLU N N 125 128.432 128.161 0.271 17414 3352 1 7 . 1 1 125 125 GLU HA H 125 3.672 4.128 -0.456 17414 3353 1 7 . 1 1 125 125 GLU CA C 125 58.494 59.860 -1.366 17414 3354 1 7 . 1 1 125 125 GLU CB C 125 30.552 29.432 1.120 17414 3355 1 7 . 1 1 126 126 GLU N N 126 120.993 122.148 -1.155 17414 3356 1 7 . 1 1 126 126 GLU HA H 126 3.570 4.592 -1.022 17414 3357 1 7 . 1 1 126 126 GLU CA C 126 61.229 57.372 3.857 17414 3358 1 7 . 1 1 126 126 GLU CB C 126 29.621 32.257 -2.636 17414 3359 1 7 . 1 1 127 127 LEU N N 127 120.945 120.000 0.945 17414 3360 1 7 . 1 1 127 127 LEU HA H 127 4.205 4.562 -0.357 17414 3361 1 7 . 1 1 127 127 LEU CA C 127 55.681 54.031 1.650 17414 3362 1 7 . 1 1 128 128 HIS HA H 128 4.584 4.262 0.322 17414 3363 1 7 . 1 1 128 128 HIS CA C 128 54.566 56.286 -1.720 17414 3364 1 7 . 1 1 128 128 HIS CB C 128 26.062 29.693 -3.631 17414 3365 1 7 . 1 1 129 129 THR N N 129 105.639 113.863 -8.224 17414 3366 1 7 . 1 1 129 129 THR HA H 129 4.899 4.711 0.188 17414 3367 1 7 . 1 1 129 129 THR CA C 129 58.380 60.955 -2.575 17414 3368 1 7 . 1 1 129 129 THR CB C 129 72.980 70.879 2.101 17414 3369 1 7 . 1 1 130 130 LEU N N 130 111.598 120.023 -8.425 17414 3370 1 7 . 1 1 130 130 LEU HA H 130 5.537 5.275 0.262 17414 3371 1 7 . 1 1 130 130 LEU CA C 130 54.683 53.862 0.821 17414 3372 1 7 . 1 1 130 130 LEU CB C 130 44.277 45.054 -0.777 17414 3373 1 7 . 1 1 131 131 VAL N N 131 119.670 121.437 -1.767 17414 3374 1 7 . 1 1 131 131 VAL HA H 131 4.830 4.663 0.167 17414 3375 1 7 . 1 1 131 131 VAL CA C 131 61.285 62.431 -1.146 17414 3376 1 7 . 1 1 131 131 VAL CB C 131 30.272 31.953 -1.681 17414 3377 1 7 . 1 1 132 132 ALA N N 132 134.824 128.890 5.934 17414 3378 1 7 . 1 1 132 132 ALA HA H 132 4.931 4.829 0.102 17414 3379 1 7 . 1 1 132 132 ALA CA C 132 49.999 50.649 -0.650 17414 3380 1 7 . 1 1 132 132 ALA CB C 132 21.422 21.480 -0.058 17414 3381 1 7 . 1 1 133 133 GLU N N 133 118.979 124.823 -5.844 17414 3382 1 7 . 1 1 133 133 GLU HA H 133 3.826 4.066 -0.240 17414 3383 1 7 . 1 1 133 133 GLU CA C 133 57.065 57.713 -0.648 17414 3384 1 7 . 1 1 133 133 GLU CB C 133 26.406 28.300 -1.894 17414 3385 1 7 . 1 1 134 134 GLY N N 134 100.017 104.320 -4.303 17414 3386 1 7 . 1 1 134 134 GLY CA C 134 45.352 45.404 -0.052 17414 3387 1 7 . 1 1 135 135 VAL N N 135 122.381 121.308 1.073 17414 3388 1 7 . 1 1 135 135 VAL HA H 135 4.560 4.164 0.396 17414 3389 1 7 . 1 1 135 135 VAL CA C 135 60.885 62.155 -1.270 17414 3390 1 7 . 1 1 135 135 VAL CB C 135 32.542 32.800 -0.258 17414 3391 1 7 . 1 1 136 136 VAL N N 136 126.302 126.253 0.049 17414 3392 1 7 . 1 1 136 136 VAL HA H 136 4.254 4.754 -0.500 17414 3393 1 7 . 1 1 136 136 VAL CA C 136 63.608 61.560 2.048 17414 3394 1 7 . 1 1 136 136 VAL CB C 136 30.519 32.823 -2.304 17414 3395 1 7 . 1 1 137 137 VAL N N 137 118.757 120.742 -1.985 17414 3396 1 7 . 1 1 137 137 VAL HA H 137 5.743 5.130 0.613 17414 3397 1 7 . 1 1 137 137 VAL CA C 137 58.252 59.785 -1.533 17414 3398 1 7 . 1 1 137 137 VAL CB C 137 36.378 35.993 0.385 17414 3399 1 7 . 1 1 138 138 HIS N N 138 120.902 123.815 -2.913 17414 3400 1 7 . 1 1 138 138 HIS HA H 138 4.434 4.250 0.184 17414 3401 1 7 . 1 1 138 138 HIS CA C 138 56.439 57.390 -0.951 17414 3402 1 7 . 1 1 138 138 HIS CB C 138 30.583 30.013 0.570 17414 3403 1 8 . 1 1 2 2 LEU N N 2 122.945 123.096 -0.151 17414 3404 1 8 . 1 1 2 2 LEU HA H 2 5.005 4.920 0.085 17414 3405 1 8 . 1 1 2 2 LEU CA C 2 53.355 53.700 -0.345 17414 3406 1 8 . 1 1 2 2 LEU CB C 2 43.858 43.319 0.539 17414 3407 1 8 . 1 1 3 3 ALA N N 3 121.232 127.247 -6.015 17414 3408 1 8 . 1 1 3 3 ALA HA H 3 4.730 4.547 0.183 17414 3409 1 8 . 1 1 3 3 ALA CA C 3 52.302 51.712 0.590 17414 3410 1 8 . 1 1 3 3 ALA CB C 3 21.769 20.402 1.367 17414 3411 1 8 . 1 1 4 4 GLU N N 4 121.283 121.262 0.021 17414 3412 1 8 . 1 1 4 4 GLU HA H 4 4.074 4.136 -0.062 17414 3413 1 8 . 1 1 4 4 GLU CA C 4 57.136 58.489 -1.353 17414 3414 1 8 . 1 1 4 4 GLU CB C 4 31.847 29.476 2.371 17414 3415 1 8 . 1 1 5 5 GLY N N 5 119.858 115.086 4.772 17414 3416 1 8 . 1 1 5 5 GLY CA C 5 44.157 45.183 -1.026 17414 3417 1 8 . 1 1 6 6 THR N N 6 117.099 116.629 0.470 17414 3418 1 8 . 1 1 6 6 THR HA H 6 4.301 4.225 0.076 17414 3419 1 8 . 1 1 6 6 THR CA C 6 65.228 63.811 1.417 17414 3420 1 8 . 1 1 6 6 THR CB C 6 68.654 69.061 -0.407 17414 3421 1 8 . 1 1 7 7 ARG N N 7 130.107 127.200 2.907 17414 3422 1 8 . 1 1 7 7 ARG HA H 7 4.878 4.647 0.231 17414 3423 1 8 . 1 1 7 7 ARG CA C 7 55.868 56.308 -0.440 17414 3424 1 8 . 1 1 8 8 ILE N N 8 123.872 122.289 1.583 17414 3425 1 8 . 1 1 8 8 ILE HA H 8 4.531 4.682 -0.151 17414 3426 1 8 . 1 1 8 8 ILE CA C 8 59.240 60.477 -1.237 17414 3427 1 8 . 1 1 8 8 ILE CB C 8 40.450 40.419 0.031 17414 3428 1 8 . 1 1 9 9 PHE N N 9 129.317 129.609 -0.292 17414 3429 1 8 . 1 1 9 9 PHE HA H 9 4.832 5.021 -0.189 17414 3430 1 8 . 1 1 9 9 PHE CA C 9 56.960 58.699 -1.739 17414 3431 1 8 . 1 1 9 9 PHE CB C 9 40.542 40.140 0.402 17414 3432 1 8 . 1 1 10 10 ASP N N 10 128.073 127.122 0.951 17414 3433 1 8 . 1 1 10 10 ASP HA H 10 5.529 5.099 0.430 17414 3434 1 8 . 1 1 10 10 ASP CA C 10 49.160 49.776 -0.616 17414 3435 1 8 . 1 1 10 10 ASP CB C 10 43.037 42.006 1.031 17414 3436 1 8 . 1 1 11 11 PRO HA H 11 3.974 4.554 -0.580 17414 3437 1 8 . 1 1 11 11 PRO CA C 11 62.348 65.377 -3.029 17414 3438 1 8 . 1 1 11 11 PRO CB C 11 30.977 32.063 -1.086 17414 3439 1 8 . 1 1 12 12 VAL N N 12 124.105 116.058 8.047 17414 3440 1 8 . 1 1 12 12 VAL HA H 12 3.591 3.706 -0.115 17414 3441 1 8 . 1 1 12 12 VAL CA C 12 64.849 66.039 -1.190 17414 3442 1 8 . 1 1 13 13 THR N N 13 107.133 109.042 -1.909 17414 3443 1 8 . 1 1 13 13 THR HA H 13 4.228 4.278 -0.050 17414 3444 1 8 . 1 1 13 13 THR CA C 13 60.944 62.599 -1.655 17414 3445 1 8 . 1 1 13 13 THR CB C 13 69.447 70.366 -0.919 17414 3446 1 8 . 1 1 14 14 GLY N N 14 112.897 111.735 1.162 17414 3447 1 8 . 1 1 14 14 GLY CA C 14 45.650 45.587 0.063 17414 3448 1 8 . 1 1 15 15 THR N N 15 117.286 115.382 1.904 17414 3449 1 8 . 1 1 15 15 THR HA H 15 4.276 4.589 -0.313 17414 3450 1 8 . 1 1 15 15 THR CA C 15 61.382 60.807 0.575 17414 3451 1 8 . 1 1 15 15 THR CB C 15 70.037 70.689 -0.652 17414 3452 1 8 . 1 1 16 16 THR N N 16 120.518 117.523 2.995 17414 3453 1 8 . 1 1 16 16 THR HA H 16 4.911 4.798 0.113 17414 3454 1 8 . 1 1 16 16 THR CA C 16 62.321 61.559 0.762 17414 3455 1 8 . 1 1 16 16 THR CB C 16 69.184 69.720 -0.536 17414 3456 1 8 . 1 1 17 17 HIS N N 17 127.011 124.700 2.311 17414 3457 1 8 . 1 1 17 17 HIS HA H 17 4.586 5.233 -0.647 17414 3458 1 8 . 1 1 17 17 HIS CA C 17 54.406 53.979 0.427 17414 3459 1 8 . 1 1 17 17 HIS CB C 17 35.299 32.567 2.732 17414 3460 1 8 . 1 1 18 18 ARG N N 18 120.890 121.661 -0.771 17414 3461 1 8 . 1 1 18 18 ARG HA H 18 4.679 4.447 0.232 17414 3462 1 8 . 1 1 18 18 ARG CA C 18 54.802 55.254 -0.452 17414 3463 1 8 . 1 1 18 18 ARG CB C 18 29.657 31.754 -2.097 17414 3464 1 8 . 1 1 19 19 ILE N N 19 125.005 126.517 -1.512 17414 3465 1 8 . 1 1 19 19 ILE HA H 19 3.696 3.844 -0.148 17414 3466 1 8 . 1 1 19 19 ILE CA C 19 66.021 64.025 1.996 17414 3467 1 8 . 1 1 19 19 ILE CB C 19 37.936 37.830 0.106 17414 3468 1 8 . 1 1 20 20 GLU N N 20 123.813 119.377 4.436 17414 3469 1 8 . 1 1 20 20 GLU HA H 20 2.787 3.448 -0.661 17414 3470 1 8 . 1 1 20 20 GLU CA C 20 57.675 58.353 -0.678 17414 3471 1 8 . 1 1 20 20 GLU CB C 20 28.945 28.710 0.235 17414 3472 1 8 . 1 1 21 21 ASP N N 21 123.330 120.659 2.671 17414 3473 1 8 . 1 1 21 21 ASP HA H 21 4.489 4.456 0.033 17414 3474 1 8 . 1 1 21 21 ASP CA C 21 55.734 56.483 -0.749 17414 3475 1 8 . 1 1 21 21 ASP CB C 21 40.038 40.832 -0.794 17414 3476 1 8 . 1 1 22 22 VAL N N 22 121.407 119.730 1.677 17414 3477 1 8 . 1 1 22 22 VAL HA H 22 3.303 3.600 -0.297 17414 3478 1 8 . 1 1 22 22 VAL CA C 22 65.768 66.382 -0.614 17414 3479 1 8 . 1 1 22 22 VAL CB C 22 31.327 31.548 -0.221 17414 3480 1 8 . 1 1 23 23 VAL N N 23 116.800 120.743 -3.943 17414 3481 1 8 . 1 1 23 23 VAL HA H 23 3.928 3.755 0.173 17414 3482 1 8 . 1 1 23 23 VAL CA C 23 66.310 66.380 -0.070 17414 3483 1 8 . 1 1 24 24 GLY N N 24 120.577 108.286 12.291 17414 3484 1 8 . 1 1 25 25 GLY N N 25 103.034 108.436 -5.402 17414 3485 1 8 . 1 1 25 25 GLY CA C 25 43.755 44.901 -1.146 17414 3486 1 8 . 1 1 26 26 ARG N N 26 122.306 116.561 5.745 17414 3487 1 8 . 1 1 26 26 ARG HA H 26 1.544 3.448 -1.904 17414 3488 1 8 . 1 1 26 26 ARG CA C 26 55.119 56.415 -1.296 17414 3489 1 8 . 1 1 26 26 ARG CB C 26 26.620 27.572 -0.952 17414 3490 1 8 . 1 1 27 27 LYS N N 27 115.887 119.696 -3.809 17414 3491 1 8 . 1 1 27 27 LYS HA H 27 4.168 4.439 -0.271 17414 3492 1 8 . 1 1 27 27 LYS CB C 27 33.503 32.625 0.878 17414 3493 1 8 . 1 1 28 28 PRO HA H 28 5.145 4.901 0.244 17414 3494 1 8 . 1 1 28 28 PRO CA C 28 61.507 63.652 -2.145 17414 3495 1 8 . 1 1 28 28 PRO CB C 28 27.787 32.210 -4.423 17414 3496 1 8 . 1 1 29 29 ILE N N 29 116.657 121.183 -4.526 17414 3497 1 8 . 1 1 29 29 ILE HA H 29 4.443 4.169 0.274 17414 3498 1 8 . 1 1 29 29 ILE CA C 29 60.723 61.863 -1.140 17414 3499 1 8 . 1 1 29 29 ILE CB C 29 38.563 39.025 -0.462 17414 3500 1 8 . 1 1 30 30 HIS N N 30 118.274 122.130 -3.856 17414 3501 1 8 . 1 1 30 30 HIS HA H 30 5.152 5.258 -0.106 17414 3502 1 8 . 1 1 30 30 HIS CA C 30 55.902 54.311 1.591 17414 3503 1 8 . 1 1 30 30 HIS CB C 30 30.925 34.346 -3.421 17414 3504 1 8 . 1 1 31 31 VAL N N 31 107.262 115.416 -8.154 17414 3505 1 8 . 1 1 31 31 VAL HA H 31 5.212 4.929 0.283 17414 3506 1 8 . 1 1 31 31 VAL CA C 31 57.692 59.204 -1.512 17414 3507 1 8 . 1 1 31 31 VAL CB C 31 34.153 36.172 -2.019 17414 3508 1 8 . 1 1 32 32 VAL N N 32 119.900 122.871 -2.971 17414 3509 1 8 . 1 1 32 32 VAL HA H 32 4.246 4.439 -0.193 17414 3510 1 8 . 1 1 32 32 VAL CA C 32 62.504 62.445 0.059 17414 3511 1 8 . 1 1 33 33 ALA N N 33 128.967 130.281 -1.314 17414 3512 1 8 . 1 1 33 33 ALA HA H 33 4.522 5.355 -0.833 17414 3513 1 8 . 1 1 33 33 ALA CA C 33 49.594 50.204 -0.610 17414 3514 1 8 . 1 1 33 33 ALA CB C 33 23.635 22.727 0.908 17414 3515 1 8 . 1 1 34 34 ALA N N 34 121.236 121.477 -0.241 17414 3516 1 8 . 1 1 34 34 ALA HA H 34 5.207 5.465 -0.258 17414 3517 1 8 . 1 1 34 34 ALA CA C 34 49.704 50.233 -0.529 17414 3518 1 8 . 1 1 35 35 ALA N N 35 125.943 122.710 3.233 17414 3519 1 8 . 1 1 35 35 ALA HA H 35 4.633 4.724 -0.091 17414 3520 1 8 . 1 1 35 35 ALA CA C 35 50.168 49.828 0.340 17414 3521 1 8 . 1 1 35 35 ALA CB C 35 20.121 21.226 -1.105 17414 3522 1 8 . 1 1 36 36 LYS N N 36 121.159 117.185 3.974 17414 3523 1 8 . 1 1 36 36 LYS HA H 36 4.272 4.156 0.116 17414 3524 1 8 . 1 1 36 36 LYS CA C 36 58.723 58.586 0.137 17414 3525 1 8 . 1 1 37 37 ASP N N 37 115.815 117.550 -1.735 17414 3526 1 8 . 1 1 37 37 ASP HA H 37 4.526 4.698 -0.172 17414 3527 1 8 . 1 1 37 37 ASP CA C 37 52.534 54.177 -1.643 17414 3528 1 8 . 1 1 37 37 ASP CB C 37 39.654 41.366 -1.712 17414 3529 1 8 . 1 1 38 38 GLY N N 38 107.649 107.740 -0.091 17414 3530 1 8 . 1 1 38 38 GLY CA C 38 45.025 45.153 -0.128 17414 3531 1 8 . 1 1 39 39 THR N N 39 110.428 113.624 -3.196 17414 3532 1 8 . 1 1 39 39 THR HA H 39 4.265 4.560 -0.295 17414 3533 1 8 . 1 1 39 39 THR CA C 39 60.883 61.288 -0.405 17414 3534 1 8 . 1 1 39 39 THR CB C 39 70.144 71.125 -0.981 17414 3535 1 8 . 1 1 40 40 LEU N N 40 120.829 123.059 -2.230 17414 3536 1 8 . 1 1 40 40 LEU HA H 40 5.312 5.430 -0.118 17414 3537 1 8 . 1 1 40 40 LEU CA C 40 53.146 53.867 -0.721 17414 3538 1 8 . 1 1 40 40 LEU CB C 40 41.870 43.357 -1.487 17414 3539 1 8 . 1 1 41 41 HIS N N 41 120.175 124.495 -4.320 17414 3540 1 8 . 1 1 41 41 HIS HA H 41 4.622 5.286 -0.664 17414 3541 1 8 . 1 1 41 41 HIS CA C 41 54.675 54.574 0.101 17414 3542 1 8 . 1 1 41 41 HIS CB C 41 35.374 33.443 1.931 17414 3543 1 8 . 1 1 42 42 ALA N N 42 125.084 127.850 -2.766 17414 3544 1 8 . 1 1 42 42 ALA HA H 42 5.530 4.407 1.123 17414 3545 1 8 . 1 1 42 42 ALA CA C 42 50.934 52.069 -1.135 17414 3546 1 8 . 1 1 42 42 ALA CB C 42 18.920 19.459 -0.539 17414 3547 1 8 . 1 1 43 43 ARG N N 43 124.440 121.706 2.734 17414 3548 1 8 . 1 1 43 43 ARG HA H 43 5.177 4.908 0.269 17414 3549 1 8 . 1 1 43 43 ARG CA C 43 50.736 52.724 -1.988 17414 3550 1 8 . 1 1 43 43 ARG CB C 43 35.105 33.114 1.991 17414 3551 1 8 . 1 1 44 44 PRO HA H 44 4.506 3.714 0.792 17414 3552 1 8 . 1 1 44 44 PRO CA C 44 61.661 61.919 -0.258 17414 3553 1 8 . 1 1 44 44 PRO CB C 44 32.437 32.041 0.396 17414 3554 1 8 . 1 1 45 45 VAL N N 45 119.113 121.335 -2.222 17414 3555 1 8 . 1 1 45 45 VAL HA H 45 4.195 4.028 0.167 17414 3556 1 8 . 1 1 45 45 VAL CA C 45 61.770 61.733 0.037 17414 3557 1 8 . 1 1 45 45 VAL CB C 45 32.099 32.360 -0.261 17414 3558 1 8 . 1 1 46 46 VAL N N 46 114.811 119.664 -4.853 17414 3559 1 8 . 1 1 46 46 VAL HA H 46 4.117 4.282 -0.165 17414 3560 1 8 . 1 1 46 46 VAL CA C 46 59.689 60.918 -1.229 17414 3561 1 8 . 1 1 46 46 VAL CB C 46 33.207 33.342 -0.135 17414 3562 1 8 . 1 1 47 47 SER N N 47 113.271 113.952 -0.681 17414 3563 1 8 . 1 1 47 47 SER HA H 47 3.992 4.371 -0.379 17414 3564 1 8 . 1 1 47 47 SER CA C 47 56.916 56.332 0.584 17414 3565 1 8 . 1 1 47 47 SER CB C 47 65.285 64.972 0.313 17414 3566 1 8 . 1 1 48 48 TRP N N 48 120.998 126.903 -5.905 17414 3567 1 8 . 1 1 48 48 TRP HA H 48 4.518 5.367 -0.849 17414 3568 1 8 . 1 1 48 48 TRP CA C 48 58.275 55.632 2.643 17414 3569 1 8 . 1 1 48 48 TRP CB C 48 32.474 31.189 1.285 17414 3570 1 8 . 1 1 49 49 PHE N N 49 120.098 122.913 -2.815 17414 3571 1 8 . 1 1 49 49 PHE HA H 49 5.159 5.200 -0.041 17414 3572 1 8 . 1 1 49 49 PHE CA C 49 55.741 56.292 -0.551 17414 3573 1 8 . 1 1 49 49 PHE CB C 49 40.992 43.264 -2.272 17414 3574 1 8 . 1 1 50 50 ASP N N 50 127.259 123.761 3.498 17414 3575 1 8 . 1 1 50 50 ASP HA H 50 4.829 5.269 -0.440 17414 3576 1 8 . 1 1 50 50 ASP CA C 50 53.464 53.345 0.119 17414 3577 1 8 . 1 1 50 50 ASP CB C 50 40.713 42.836 -2.123 17414 3578 1 8 . 1 1 51 51 GLN N N 51 123.758 121.641 2.117 17414 3579 1 8 . 1 1 51 51 GLN HA H 51 4.902 4.567 0.335 17414 3580 1 8 . 1 1 51 51 GLN CA C 51 55.613 55.700 -0.087 17414 3581 1 8 . 1 1 52 52 GLY N N 52 108.682 107.866 0.816 17414 3582 1 8 . 1 1 52 52 GLY CA C 52 44.063 44.685 -0.622 17414 3583 1 8 . 1 1 53 53 THR N N 53 118.925 115.898 3.027 17414 3584 1 8 . 1 1 53 53 THR HA H 53 4.734 4.731 0.003 17414 3585 1 8 . 1 1 53 53 THR CA C 53 62.734 63.225 -0.491 17414 3586 1 8 . 1 1 53 53 THR CB C 53 67.881 68.968 -1.087 17414 3587 1 8 . 1 1 54 54 ARG N N 54 125.981 124.783 1.198 17414 3588 1 8 . 1 1 54 54 ARG HA H 54 4.677 4.866 -0.189 17414 3589 1 8 . 1 1 54 54 ARG CA C 54 53.580 54.046 -0.466 17414 3590 1 8 . 1 1 54 54 ARG CB C 54 35.619 34.338 1.281 17414 3591 1 8 . 1 1 55 55 ASP N N 55 119.621 121.168 -1.547 17414 3592 1 8 . 1 1 55 55 ASP HA H 55 4.973 5.095 -0.122 17414 3593 1 8 . 1 1 55 55 ASP CA C 55 54.236 54.611 -0.375 17414 3594 1 8 . 1 1 55 55 ASP CB C 55 40.704 41.089 -0.385 17414 3595 1 8 . 1 1 56 56 VAL N N 56 114.565 119.147 -4.582 17414 3596 1 8 . 1 1 56 56 VAL HA H 56 4.804 4.957 -0.153 17414 3597 1 8 . 1 1 56 56 VAL CA C 56 58.672 59.340 -0.668 17414 3598 1 8 . 1 1 56 56 VAL CB C 56 34.813 35.962 -1.149 17414 3599 1 8 . 1 1 57 57 ILE N N 57 114.855 120.559 -5.704 17414 3600 1 8 . 1 1 57 57 ILE HA H 57 4.740 5.159 -0.419 17414 3601 1 8 . 1 1 57 57 ILE CA C 57 58.799 59.281 -0.482 17414 3602 1 8 . 1 1 57 57 ILE CB C 57 41.197 40.406 0.791 17414 3603 1 8 . 1 1 58 58 GLY N N 58 107.378 109.410 -2.032 17414 3604 1 8 . 1 1 58 58 GLY CA C 58 43.036 43.401 -0.365 17414 3605 1 8 . 1 1 59 59 LEU N N 59 124.061 124.940 -0.879 17414 3606 1 8 . 1 1 59 59 LEU HA H 59 4.677 4.760 -0.083 17414 3607 1 8 . 1 1 59 59 LEU CA C 59 52.282 53.602 -1.320 17414 3608 1 8 . 1 1 59 59 LEU CB C 59 42.668 43.210 -0.542 17414 3609 1 8 . 1 1 60 60 ARG N N 60 124.178 125.500 -1.322 17414 3610 1 8 . 1 1 60 60 ARG HA H 60 4.799 4.567 0.232 17414 3611 1 8 . 1 1 61 61 ILE N N 61 128.222 127.773 0.449 17414 3612 1 8 . 1 1 61 61 ILE HA H 61 4.492 4.371 0.121 17414 3613 1 8 . 1 1 61 61 ILE CA C 61 58.741 60.057 -1.316 17414 3614 1 8 . 1 1 61 61 ILE CB C 61 37.622 38.535 -0.913 17414 3615 1 8 . 1 1 62 62 ALA N N 62 128.005 131.722 -3.717 17414 3616 1 8 . 1 1 62 62 ALA HA H 62 4.108 3.959 0.149 17414 3617 1 8 . 1 1 62 62 ALA CA C 62 54.129 53.324 0.805 17414 3618 1 8 . 1 1 62 62 ALA CB C 62 18.002 18.026 -0.024 17414 3619 1 8 . 1 1 63 63 GLY CA C 63 44.912 45.691 -0.779 17414 3620 1 8 . 1 1 64 64 GLY N N 64 107.906 108.517 -0.611 17414 3621 1 8 . 1 1 64 64 GLY CA C 64 44.751 46.152 -1.401 17414 3622 1 8 . 1 1 65 65 ALA N N 65 125.759 123.015 2.744 17414 3623 1 8 . 1 1 65 65 ALA HA H 65 4.394 4.753 -0.359 17414 3624 1 8 . 1 1 65 65 ALA CA C 65 51.764 51.053 0.711 17414 3625 1 8 . 1 1 65 65 ALA CB C 65 19.458 21.562 -2.104 17414 3626 1 8 . 1 1 66 66 ILE N N 66 118.136 119.597 -1.461 17414 3627 1 8 . 1 1 66 66 ILE HA H 66 4.705 4.978 -0.273 17414 3628 1 8 . 1 1 66 66 ILE CA C 66 59.670 59.487 0.183 17414 3629 1 8 . 1 1 66 66 ILE CB C 66 40.415 42.111 -1.696 17414 3630 1 8 . 1 1 67 67 LEU N N 67 127.715 126.725 0.990 17414 3631 1 8 . 1 1 67 67 LEU HA H 67 4.728 4.950 -0.222 17414 3632 1 8 . 1 1 67 67 LEU CA C 67 53.331 53.187 0.144 17414 3633 1 8 . 1 1 67 67 LEU CB C 67 44.102 45.173 -1.071 17414 3634 1 8 . 1 1 68 68 TRP N N 68 129.332 128.646 0.686 17414 3635 1 8 . 1 1 68 68 TRP HA H 68 5.672 5.551 0.121 17414 3636 1 8 . 1 1 68 68 TRP CA C 68 54.812 55.698 -0.886 17414 3637 1 8 . 1 1 68 68 TRP CB C 68 29.742 30.326 -0.584 17414 3638 1 8 . 1 1 69 69 ALA N N 69 124.233 125.576 -1.343 17414 3639 1 8 . 1 1 69 69 ALA HA H 69 5.243 5.125 0.118 17414 3640 1 8 . 1 1 69 69 ALA CA C 69 49.203 50.949 -1.746 17414 3641 1 8 . 1 1 69 69 ALA CB C 69 22.138 23.618 -1.480 17414 3642 1 8 . 1 1 70 70 THR N N 70 111.459 110.561 0.898 17414 3643 1 8 . 1 1 70 70 THR HA H 70 5.152 4.843 0.309 17414 3644 1 8 . 1 1 70 70 THR CA C 70 60.495 60.349 0.146 17414 3645 1 8 . 1 1 70 70 THR CB C 70 67.570 68.930 -1.360 17414 3646 1 8 . 1 1 71 71 PRO HA H 71 4.165 4.555 -0.390 17414 3647 1 8 . 1 1 71 71 PRO CA C 71 64.390 64.939 -0.549 17414 3648 1 8 . 1 1 72 72 ASP N N 72 112.234 116.198 -3.964 17414 3649 1 8 . 1 1 72 72 ASP HA H 72 4.505 4.648 -0.143 17414 3650 1 8 . 1 1 72 72 ASP CA C 72 52.827 54.022 -1.195 17414 3651 1 8 . 1 1 73 73 HIS N N 73 125.389 121.329 4.060 17414 3652 1 8 . 1 1 73 73 HIS HA H 73 3.796 4.540 -0.744 17414 3653 1 8 . 1 1 73 73 HIS CA C 73 58.310 56.653 1.657 17414 3654 1 8 . 1 1 73 73 HIS CB C 73 32.385 30.547 1.838 17414 3655 1 8 . 1 1 74 74 LYS N N 74 127.412 125.545 1.867 17414 3656 1 8 . 1 1 74 74 LYS HA H 74 4.661 4.650 0.011 17414 3657 1 8 . 1 1 74 74 LYS CA C 74 56.845 56.185 0.660 17414 3658 1 8 . 1 1 75 75 VAL N N 75 125.726 125.197 0.529 17414 3659 1 8 . 1 1 75 75 VAL HA H 75 4.754 4.834 -0.080 17414 3660 1 8 . 1 1 75 75 VAL CA C 75 60.739 61.365 -0.626 17414 3661 1 8 . 1 1 75 75 VAL CB C 75 35.276 34.161 1.115 17414 3662 1 8 . 1 1 76 76 LEU N N 76 129.759 128.619 1.140 17414 3663 1 8 . 1 1 76 76 LEU HA H 76 3.514 4.324 -0.810 17414 3664 1 8 . 1 1 76 76 LEU CA C 76 55.222 53.881 1.341 17414 3665 1 8 . 1 1 76 76 LEU CB C 76 39.052 42.608 -3.556 17414 3666 1 8 . 1 1 77 77 THR N N 77 116.138 116.966 -0.828 17414 3667 1 8 . 1 1 77 77 THR HA H 77 5.295 4.847 0.448 17414 3668 1 8 . 1 1 77 77 THR CA C 77 59.543 60.164 -0.621 17414 3669 1 8 . 1 1 78 78 GLU N N 78 119.986 119.771 0.215 17414 3670 1 8 . 1 1 78 78 GLU HA H 78 3.558 3.878 -0.320 17414 3671 1 8 . 1 1 78 78 GLU CA C 78 57.551 58.502 -0.951 17414 3672 1 8 . 1 1 78 78 GLU CB C 78 28.385 28.828 -0.443 17414 3673 1 8 . 1 1 79 79 TYR N N 79 117.251 120.127 -2.876 17414 3674 1 8 . 1 1 79 79 TYR HA H 79 4.749 4.618 0.131 17414 3675 1 8 . 1 1 79 79 TYR CA C 79 55.553 57.845 -2.292 17414 3676 1 8 . 1 1 79 79 TYR CB C 79 37.935 38.635 -0.700 17414 3677 1 8 . 1 1 80 80 GLY N N 80 106.884 107.697 -0.813 17414 3678 1 8 . 1 1 80 80 GLY CA C 80 42.757 44.387 -1.630 17414 3679 1 8 . 1 1 81 81 TRP N N 81 125.593 122.898 2.695 17414 3680 1 8 . 1 1 81 81 TRP HA H 81 4.884 5.162 -0.278 17414 3681 1 8 . 1 1 81 81 TRP CA C 81 57.790 58.008 -0.218 17414 3682 1 8 . 1 1 81 81 TRP CB C 81 29.255 30.016 -0.761 17414 3683 1 8 . 1 1 82 82 ARG N N 82 124.625 123.533 1.092 17414 3684 1 8 . 1 1 82 82 ARG HA H 82 4.773 4.992 -0.219 17414 3685 1 8 . 1 1 82 82 ARG CA C 82 53.895 54.132 -0.237 17414 3686 1 8 . 1 1 83 83 ALA N N 83 125.891 127.463 -1.572 17414 3687 1 8 . 1 1 83 83 ALA HA H 83 4.293 4.494 -0.201 17414 3688 1 8 . 1 1 83 83 ALA CA C 83 51.686 52.627 -0.941 17414 3689 1 8 . 1 1 84 84 ALA N N 84 125.790 126.493 -0.703 17414 3690 1 8 . 1 1 84 84 ALA HA H 84 3.930 4.007 -0.077 17414 3691 1 8 . 1 1 84 84 ALA CB C 84 17.269 18.441 -1.172 17414 3692 1 8 . 1 1 85 85 GLY N N 85 102.306 104.945 -2.639 17414 3693 1 8 . 1 1 86 86 GLU N N 86 117.564 118.135 -0.571 17414 3694 1 8 . 1 1 86 86 GLU HA H 86 4.414 4.417 -0.003 17414 3695 1 8 . 1 1 86 86 GLU CA C 86 55.233 56.467 -1.234 17414 3696 1 8 . 1 1 86 86 GLU CB C 86 30.231 30.190 0.041 17414 3697 1 8 . 1 1 87 87 LEU N N 87 119.746 121.801 -2.055 17414 3698 1 8 . 1 1 87 87 LEU HA H 87 4.417 4.771 -0.354 17414 3699 1 8 . 1 1 87 87 LEU CA C 87 54.274 53.444 0.830 17414 3700 1 8 . 1 1 87 87 LEU CB C 87 41.471 43.863 -2.392 17414 3701 1 8 . 1 1 88 88 ARG N N 88 120.899 122.280 -1.381 17414 3702 1 8 . 1 1 88 88 ARG HA H 88 4.627 5.012 -0.385 17414 3703 1 8 . 1 1 88 88 ARG CA C 88 52.594 53.769 -1.175 17414 3704 1 8 . 1 1 89 89 LYS N N 89 119.795 124.402 -4.607 17414 3705 1 8 . 1 1 89 89 LYS HA H 89 3.669 4.145 -0.476 17414 3706 1 8 . 1 1 89 89 LYS CA C 89 57.770 57.108 0.662 17414 3707 1 8 . 1 1 90 90 GLY N N 90 115.070 110.495 4.575 17414 3708 1 8 . 1 1 90 90 GLY CA C 90 44.499 45.423 -0.924 17414 3709 1 8 . 1 1 91 91 ASP N N 91 121.652 120.966 0.686 17414 3710 1 8 . 1 1 91 91 ASP HA H 91 4.716 4.791 -0.075 17414 3711 1 8 . 1 1 91 91 ASP CA C 91 55.866 53.913 1.953 17414 3712 1 8 . 1 1 92 92 ARG N N 92 117.826 122.434 -4.608 17414 3713 1 8 . 1 1 92 92 ARG HA H 92 5.241 5.128 0.113 17414 3714 1 8 . 1 1 92 92 ARG CA C 92 54.976 55.671 -0.695 17414 3715 1 8 . 1 1 92 92 ARG CB C 92 31.655 31.917 -0.262 17414 3716 1 8 . 1 1 93 93 VAL N N 93 115.034 118.434 -3.400 17414 3717 1 8 . 1 1 93 93 VAL HA H 93 4.839 4.949 -0.110 17414 3718 1 8 . 1 1 93 93 VAL CA C 93 58.222 59.060 -0.838 17414 3719 1 8 . 1 1 94 94 ALA N N 94 126.192 124.694 1.498 17414 3720 1 8 . 1 1 94 94 ALA HA H 94 4.271 4.045 0.226 17414 3721 1 8 . 1 1 94 94 ALA CA C 94 50.975 51.384 -0.409 17414 3722 1 8 . 1 1 94 94 ALA CB C 94 18.748 19.025 -0.277 17414 3723 1 8 . 1 1 95 95 VAL N N 95 115.179 116.512 -1.333 17414 3724 1 8 . 1 1 95 95 VAL HA H 95 5.317 4.825 0.492 17414 3725 1 8 . 1 1 95 95 VAL CA C 95 57.154 58.530 -1.376 17414 3726 1 8 . 1 1 95 95 VAL CB C 95 35.186 35.570 -0.384 17414 3727 1 8 . 1 1 96 96 ARG N N 96 119.288 123.552 -4.264 17414 3728 1 8 . 1 1 96 96 ARG HA H 96 4.230 4.535 -0.305 17414 3729 1 8 . 1 1 96 96 ARG CA C 96 53.613 55.328 -1.715 17414 3730 1 8 . 1 1 96 96 ARG CB C 96 31.697 31.405 0.292 17414 3731 1 8 . 1 1 97 97 ASP N N 97 131.180 125.524 5.656 17414 3732 1 8 . 1 1 97 97 ASP HA H 97 4.415 4.832 -0.417 17414 3733 1 8 . 1 1 97 97 ASP CA C 97 53.887 52.977 0.910 17414 3734 1 8 . 1 1 97 97 ASP CB C 97 42.723 42.173 0.550 17414 3735 1 8 . 1 1 98 98 VAL N N 98 126.152 125.690 0.462 17414 3736 1 8 . 1 1 98 98 VAL HA H 98 3.489 3.754 -0.265 17414 3737 1 8 . 1 1 98 98 VAL CA C 98 64.431 66.185 -1.754 17414 3738 1 8 . 1 1 98 98 VAL CB C 98 31.047 31.380 -0.333 17414 3739 1 8 . 1 1 99 99 GLU N N 99 118.883 120.814 -1.931 17414 3740 1 8 . 1 1 99 99 GLU HA H 99 4.127 4.072 0.055 17414 3741 1 8 . 1 1 99 99 GLU CA C 99 58.178 59.201 -1.023 17414 3742 1 8 . 1 1 99 99 GLU CB C 99 29.591 29.679 -0.088 17414 3743 1 8 . 1 1 100 100 THR N N 100 106.301 109.534 -3.233 17414 3744 1 8 . 1 1 100 100 THR HA H 100 4.316 4.396 -0.080 17414 3745 1 8 . 1 1 100 100 THR CA C 100 61.407 62.192 -0.785 17414 3746 1 8 . 1 1 100 100 THR CB C 100 70.856 70.439 0.417 17414 3747 1 8 . 1 1 101 101 GLY N N 101 111.204 111.949 -0.745 17414 3748 1 8 . 1 1 101 101 GLY CA C 101 45.284 45.573 -0.289 17414 3749 1 8 . 1 1 102 102 GLU N N 102 118.458 120.313 -1.855 17414 3750 1 8 . 1 1 102 102 GLU HA H 102 4.301 4.499 -0.198 17414 3751 1 8 . 1 1 102 102 GLU CA C 102 55.160 55.733 -0.573 17414 3752 1 8 . 1 1 102 102 GLU CB C 102 31.769 31.000 0.769 17414 3753 1 8 . 1 1 103 103 LEU N N 103 121.701 120.391 1.310 17414 3754 1 8 . 1 1 103 103 LEU HA H 103 4.716 4.637 0.079 17414 3755 1 8 . 1 1 103 103 LEU CA C 103 54.930 53.835 1.095 17414 3756 1 8 . 1 1 103 103 LEU CB C 103 42.346 42.962 -0.616 17414 3757 1 8 . 1 1 104 104 ARG N N 104 127.157 120.187 6.970 17414 3758 1 8 . 1 1 104 104 ARG HA H 104 4.403 4.925 -0.522 17414 3759 1 8 . 1 1 104 104 ARG CA C 104 53.201 53.842 -0.641 17414 3760 1 8 . 1 1 104 104 ARG CB C 104 32.989 33.878 -0.889 17414 3761 1 8 . 1 1 105 105 TYR N N 105 116.202 118.456 -2.254 17414 3762 1 8 . 1 1 105 105 TYR HA H 105 5.490 5.519 -0.029 17414 3763 1 8 . 1 1 105 105 TYR CA C 105 56.831 56.984 -0.153 17414 3764 1 8 . 1 1 105 105 TYR CB C 105 40.116 41.472 -1.356 17414 3765 1 8 . 1 1 106 106 SER N N 106 118.250 115.358 2.892 17414 3766 1 8 . 1 1 106 106 SER HA H 106 4.807 5.064 -0.257 17414 3767 1 8 . 1 1 106 106 SER CA C 106 55.888 57.630 -1.742 17414 3768 1 8 . 1 1 106 106 SER CB C 106 66.301 66.953 -0.652 17414 3769 1 8 . 1 1 107 107 VAL N N 107 122.160 122.357 -0.197 17414 3770 1 8 . 1 1 107 107 VAL HA H 107 4.423 4.561 -0.138 17414 3771 1 8 . 1 1 107 107 VAL CA C 107 61.369 61.694 -0.325 17414 3772 1 8 . 1 1 107 107 VAL CB C 107 33.633 32.757 0.876 17414 3773 1 8 . 1 1 108 108 ILE N N 108 123.427 125.475 -2.048 17414 3774 1 8 . 1 1 108 108 ILE HA H 108 4.100 4.259 -0.159 17414 3775 1 8 . 1 1 108 108 ILE CA C 108 61.321 61.211 0.110 17414 3776 1 8 . 1 1 108 108 ILE CB C 108 37.408 38.555 -1.147 17414 3777 1 8 . 1 1 109 109 ARG N N 109 130.207 123.449 6.758 17414 3778 1 8 . 1 1 109 109 ARG HA H 109 4.254 4.697 -0.443 17414 3779 1 8 . 1 1 109 109 ARG CA C 109 55.904 56.663 -0.759 17414 3780 1 8 . 1 1 110 110 GLU N N 110 116.804 117.391 -0.587 17414 3781 1 8 . 1 1 110 110 GLU HA H 110 4.274 4.640 -0.366 17414 3782 1 8 . 1 1 110 110 GLU CA C 110 55.889 56.208 -0.319 17414 3783 1 8 . 1 1 110 110 GLU CB C 110 33.186 33.608 -0.422 17414 3784 1 8 . 1 1 111 111 VAL N N 111 125.709 127.262 -1.553 17414 3785 1 8 . 1 1 111 111 VAL HA H 111 4.709 4.602 0.107 17414 3786 1 8 . 1 1 111 111 VAL CA C 111 60.903 61.588 -0.685 17414 3787 1 8 . 1 1 111 111 VAL CB C 111 31.927 33.117 -1.190 17414 3788 1 8 . 1 1 112 112 LEU N N 112 132.638 128.395 4.243 17414 3789 1 8 . 1 1 112 112 LEU HA H 112 4.741 4.827 -0.086 17414 3790 1 8 . 1 1 112 112 LEU CA C 112 52.655 52.007 0.648 17414 3791 1 8 . 1 1 112 112 LEU CB C 112 40.998 42.726 -1.728 17414 3792 1 8 . 1 1 113 113 PRO HA H 113 4.532 4.644 -0.112 17414 3793 1 8 . 1 1 113 113 PRO CA C 113 61.916 62.294 -0.378 17414 3794 1 8 . 1 1 113 113 PRO CB C 113 32.608 32.482 0.126 17414 3795 1 8 . 1 1 114 114 THR N N 114 112.542 112.457 0.085 17414 3796 1 8 . 1 1 114 114 THR HA H 114 4.973 4.844 0.129 17414 3797 1 8 . 1 1 114 114 THR CA C 114 61.865 61.130 0.735 17414 3798 1 8 . 1 1 114 114 THR CB C 114 69.345 70.494 -1.149 17414 3799 1 8 . 1 1 115 115 ARG N N 115 123.213 120.133 3.080 17414 3800 1 8 . 1 1 115 115 ARG HA H 115 4.694 4.970 -0.276 17414 3801 1 8 . 1 1 115 115 ARG CA C 115 54.302 54.344 -0.042 17414 3802 1 8 . 1 1 115 115 ARG CB C 115 32.684 33.947 -1.263 17414 3803 1 8 . 1 1 116 116 ARG N N 116 119.004 121.745 -2.741 17414 3804 1 8 . 1 1 116 116 ARG HA H 116 4.879 4.561 0.318 17414 3805 1 8 . 1 1 116 116 ARG CA C 116 54.554 56.538 -1.984 17414 3806 1 8 . 1 1 116 116 ARG CB C 116 30.285 30.586 -0.301 17414 3807 1 8 . 1 1 117 117 ALA N N 117 124.834 124.814 0.020 17414 3808 1 8 . 1 1 117 117 ALA HA H 117 4.599 4.705 -0.106 17414 3809 1 8 . 1 1 117 117 ALA CA C 117 50.434 50.918 -0.484 17414 3810 1 8 . 1 1 117 117 ALA CB C 117 23.139 23.038 0.101 17414 3811 1 8 . 1 1 118 118 ARG N N 118 120.885 119.041 1.844 17414 3812 1 8 . 1 1 118 118 ARG HA H 118 3.925 4.645 -0.720 17414 3813 1 8 . 1 1 118 118 ARG CA C 118 57.559 55.713 1.846 17414 3814 1 8 . 1 1 118 118 ARG CB C 118 30.409 31.248 -0.839 17414 3815 1 8 . 1 1 119 119 THR N N 119 111.492 113.292 -1.800 17414 3816 1 8 . 1 1 119 119 THR HA H 119 5.309 5.365 -0.056 17414 3817 1 8 . 1 1 119 119 THR CA C 119 60.071 59.427 0.644 17414 3818 1 8 . 1 1 119 119 THR CB C 119 72.737 71.541 1.196 17414 3819 1 8 . 1 1 120 120 PHE N N 120 113.949 120.231 -6.282 17414 3820 1 8 . 1 1 120 120 PHE HA H 120 5.311 5.312 -0.001 17414 3821 1 8 . 1 1 120 120 PHE CA C 120 57.898 56.114 1.784 17414 3822 1 8 . 1 1 120 120 PHE CB C 120 46.203 43.640 2.563 17414 3823 1 8 . 1 1 121 121 ASP N N 121 118.841 120.727 -1.886 17414 3824 1 8 . 1 1 121 121 ASP HA H 121 5.352 5.099 0.253 17414 3825 1 8 . 1 1 121 121 ASP CA C 121 55.227 54.136 1.091 17414 3826 1 8 . 1 1 121 121 ASP CB C 121 47.673 44.087 3.586 17414 3827 1 8 . 1 1 122 122 LEU N N 122 118.637 127.114 -8.477 17414 3828 1 8 . 1 1 122 122 LEU HA H 122 4.809 5.136 -0.327 17414 3829 1 8 . 1 1 122 122 LEU CB C 122 45.915 44.746 1.169 17414 3830 1 8 . 1 1 123 123 GLU N N 123 118.694 125.077 -6.383 17414 3831 1 8 . 1 1 123 123 GLU HA H 123 4.515 4.505 0.010 17414 3832 1 8 . 1 1 123 123 GLU CA C 123 54.697 55.855 -1.158 17414 3833 1 8 . 1 1 124 124 VAL N N 124 129.259 126.295 2.964 17414 3834 1 8 . 1 1 124 124 VAL HA H 124 4.065 4.407 -0.342 17414 3835 1 8 . 1 1 124 124 VAL CA C 124 61.193 61.068 0.125 17414 3836 1 8 . 1 1 124 124 VAL CB C 124 33.607 33.441 0.166 17414 3837 1 8 . 1 1 125 125 GLU N N 125 128.432 128.068 0.364 17414 3838 1 8 . 1 1 125 125 GLU HA H 125 3.672 4.141 -0.469 17414 3839 1 8 . 1 1 125 125 GLU CA C 125 58.494 60.118 -1.624 17414 3840 1 8 . 1 1 125 125 GLU CB C 125 30.552 29.528 1.024 17414 3841 1 8 . 1 1 126 126 GLU N N 126 120.993 121.111 -0.118 17414 3842 1 8 . 1 1 126 126 GLU HA H 126 3.570 4.713 -1.143 17414 3843 1 8 . 1 1 126 126 GLU CA C 126 61.229 57.573 3.656 17414 3844 1 8 . 1 1 126 126 GLU CB C 126 29.621 32.706 -3.085 17414 3845 1 8 . 1 1 127 127 LEU N N 127 120.945 120.381 0.564 17414 3846 1 8 . 1 1 127 127 LEU HA H 127 4.205 4.424 -0.219 17414 3847 1 8 . 1 1 127 127 LEU CA C 127 55.681 53.837 1.844 17414 3848 1 8 . 1 1 128 128 HIS HA H 128 4.584 4.404 0.180 17414 3849 1 8 . 1 1 128 128 HIS CA C 128 54.566 56.846 -2.280 17414 3850 1 8 . 1 1 128 128 HIS CB C 128 26.062 29.486 -3.424 17414 3851 1 8 . 1 1 129 129 THR N N 129 105.639 114.511 -8.872 17414 3852 1 8 . 1 1 129 129 THR HA H 129 4.899 5.020 -0.121 17414 3853 1 8 . 1 1 129 129 THR CA C 129 58.380 61.055 -2.675 17414 3854 1 8 . 1 1 129 129 THR CB C 129 72.980 71.167 1.813 17414 3855 1 8 . 1 1 130 130 LEU N N 130 111.598 120.871 -9.273 17414 3856 1 8 . 1 1 130 130 LEU HA H 130 5.537 5.403 0.134 17414 3857 1 8 . 1 1 130 130 LEU CA C 130 54.683 53.741 0.942 17414 3858 1 8 . 1 1 130 130 LEU CB C 130 44.277 45.294 -1.017 17414 3859 1 8 . 1 1 131 131 VAL N N 131 119.670 121.547 -1.877 17414 3860 1 8 . 1 1 131 131 VAL HA H 131 4.830 4.453 0.377 17414 3861 1 8 . 1 1 131 131 VAL CA C 131 61.285 62.609 -1.324 17414 3862 1 8 . 1 1 131 131 VAL CB C 131 30.272 31.629 -1.357 17414 3863 1 8 . 1 1 132 132 ALA N N 132 134.824 129.028 5.796 17414 3864 1 8 . 1 1 132 132 ALA HA H 132 4.931 4.930 0.001 17414 3865 1 8 . 1 1 132 132 ALA CA C 132 49.999 50.645 -0.646 17414 3866 1 8 . 1 1 132 132 ALA CB C 132 21.422 21.682 -0.260 17414 3867 1 8 . 1 1 133 133 GLU N N 133 118.979 125.174 -6.195 17414 3868 1 8 . 1 1 133 133 GLU HA H 133 3.826 4.064 -0.238 17414 3869 1 8 . 1 1 133 133 GLU CA C 133 57.065 57.706 -0.641 17414 3870 1 8 . 1 1 133 133 GLU CB C 133 26.406 28.284 -1.878 17414 3871 1 8 . 1 1 134 134 GLY N N 134 100.017 104.353 -4.336 17414 3872 1 8 . 1 1 134 134 GLY CA C 134 45.352 45.479 -0.127 17414 3873 1 8 . 1 1 135 135 VAL N N 135 122.381 122.525 -0.144 17414 3874 1 8 . 1 1 135 135 VAL HA H 135 4.560 4.387 0.173 17414 3875 1 8 . 1 1 135 135 VAL CA C 135 60.885 61.228 -0.343 17414 3876 1 8 . 1 1 135 135 VAL CB C 135 32.542 33.556 -1.014 17414 3877 1 8 . 1 1 136 136 VAL N N 136 126.302 126.672 -0.370 17414 3878 1 8 . 1 1 136 136 VAL HA H 136 4.254 4.830 -0.576 17414 3879 1 8 . 1 1 136 136 VAL CA C 136 63.608 61.594 2.014 17414 3880 1 8 . 1 1 136 136 VAL CB C 136 30.519 32.820 -2.301 17414 3881 1 8 . 1 1 137 137 VAL N N 137 118.757 120.609 -1.852 17414 3882 1 8 . 1 1 137 137 VAL HA H 137 5.743 5.176 0.567 17414 3883 1 8 . 1 1 137 137 VAL CA C 137 58.252 59.750 -1.498 17414 3884 1 8 . 1 1 137 137 VAL CB C 137 36.378 35.884 0.494 17414 3885 1 8 . 1 1 138 138 HIS N N 138 120.902 123.557 -2.655 17414 3886 1 8 . 1 1 138 138 HIS HA H 138 4.434 4.282 0.152 17414 3887 1 8 . 1 1 138 138 HIS CA C 138 56.439 57.352 -0.913 17414 3888 1 8 . 1 1 138 138 HIS CB C 138 30.583 30.129 0.454 17414 3889 1 9 . 1 1 2 2 LEU N N 2 122.945 121.979 0.966 17414 3890 1 9 . 1 1 2 2 LEU HA H 2 5.005 5.149 -0.144 17414 3891 1 9 . 1 1 2 2 LEU CA C 2 53.355 53.620 -0.265 17414 3892 1 9 . 1 1 2 2 LEU CB C 2 43.858 44.226 -0.368 17414 3893 1 9 . 1 1 3 3 ALA N N 3 121.232 127.143 -5.911 17414 3894 1 9 . 1 1 3 3 ALA HA H 3 4.730 4.561 0.169 17414 3895 1 9 . 1 1 3 3 ALA CA C 3 52.302 51.426 0.876 17414 3896 1 9 . 1 1 3 3 ALA CB C 3 21.769 20.103 1.666 17414 3897 1 9 . 1 1 4 4 GLU N N 4 121.283 121.662 -0.379 17414 3898 1 9 . 1 1 4 4 GLU HA H 4 4.074 4.135 -0.061 17414 3899 1 9 . 1 1 4 4 GLU CA C 4 57.136 58.538 -1.402 17414 3900 1 9 . 1 1 4 4 GLU CB C 4 31.847 29.515 2.332 17414 3901 1 9 . 1 1 5 5 GLY N N 5 119.858 115.158 4.700 17414 3902 1 9 . 1 1 5 5 GLY CA C 5 44.157 45.158 -1.001 17414 3903 1 9 . 1 1 6 6 THR N N 6 117.099 116.369 0.730 17414 3904 1 9 . 1 1 6 6 THR HA H 6 4.301 4.240 0.061 17414 3905 1 9 . 1 1 6 6 THR CA C 6 65.228 63.851 1.377 17414 3906 1 9 . 1 1 6 6 THR CB C 6 68.654 69.119 -0.465 17414 3907 1 9 . 1 1 7 7 ARG N N 7 130.107 127.378 2.729 17414 3908 1 9 . 1 1 7 7 ARG HA H 7 4.878 4.702 0.176 17414 3909 1 9 . 1 1 7 7 ARG CA C 7 55.868 56.109 -0.241 17414 3910 1 9 . 1 1 8 8 ILE N N 8 123.872 122.191 1.681 17414 3911 1 9 . 1 1 8 8 ILE HA H 8 4.531 4.683 -0.152 17414 3912 1 9 . 1 1 8 8 ILE CA C 8 59.240 60.496 -1.256 17414 3913 1 9 . 1 1 8 8 ILE CB C 8 40.450 40.341 0.109 17414 3914 1 9 . 1 1 9 9 PHE N N 9 129.317 129.547 -0.230 17414 3915 1 9 . 1 1 9 9 PHE HA H 9 4.832 4.989 -0.157 17414 3916 1 9 . 1 1 9 9 PHE CA C 9 56.960 57.932 -0.972 17414 3917 1 9 . 1 1 9 9 PHE CB C 9 40.542 39.704 0.838 17414 3918 1 9 . 1 1 10 10 ASP N N 10 128.073 127.913 0.160 17414 3919 1 9 . 1 1 10 10 ASP HA H 10 5.529 5.006 0.523 17414 3920 1 9 . 1 1 10 10 ASP CA C 10 49.160 49.060 0.100 17414 3921 1 9 . 1 1 10 10 ASP CB C 10 43.037 41.927 1.110 17414 3922 1 9 . 1 1 11 11 PRO HA H 11 3.974 4.352 -0.378 17414 3923 1 9 . 1 1 11 11 PRO CA C 11 62.348 65.119 -2.771 17414 3924 1 9 . 1 1 11 11 PRO CB C 11 30.977 32.078 -1.101 17414 3925 1 9 . 1 1 12 12 VAL N N 12 124.105 116.091 8.014 17414 3926 1 9 . 1 1 12 12 VAL HA H 12 3.591 3.657 -0.066 17414 3927 1 9 . 1 1 12 12 VAL CA C 12 64.849 65.887 -1.038 17414 3928 1 9 . 1 1 13 13 THR N N 13 107.133 109.473 -2.340 17414 3929 1 9 . 1 1 13 13 THR HA H 13 4.228 4.244 -0.016 17414 3930 1 9 . 1 1 13 13 THR CA C 13 60.944 62.939 -1.995 17414 3931 1 9 . 1 1 13 13 THR CB C 13 69.447 70.336 -0.889 17414 3932 1 9 . 1 1 14 14 GLY N N 14 112.897 111.660 1.237 17414 3933 1 9 . 1 1 14 14 GLY CA C 14 45.650 45.661 -0.011 17414 3934 1 9 . 1 1 15 15 THR N N 15 117.286 115.673 1.613 17414 3935 1 9 . 1 1 15 15 THR HA H 15 4.276 4.812 -0.536 17414 3936 1 9 . 1 1 15 15 THR CA C 15 61.382 60.809 0.573 17414 3937 1 9 . 1 1 15 15 THR CB C 15 70.037 71.020 -0.983 17414 3938 1 9 . 1 1 16 16 THR N N 16 120.518 116.900 3.618 17414 3939 1 9 . 1 1 16 16 THR HA H 16 4.911 4.951 -0.040 17414 3940 1 9 . 1 1 16 16 THR CA C 16 62.321 61.723 0.598 17414 3941 1 9 . 1 1 16 16 THR CB C 16 69.184 69.685 -0.501 17414 3942 1 9 . 1 1 17 17 HIS N N 17 127.011 126.028 0.983 17414 3943 1 9 . 1 1 17 17 HIS HA H 17 4.586 5.105 -0.519 17414 3944 1 9 . 1 1 17 17 HIS CA C 17 54.406 54.667 -0.261 17414 3945 1 9 . 1 1 17 17 HIS CB C 17 35.299 32.284 3.015 17414 3946 1 9 . 1 1 18 18 ARG N N 18 120.890 124.330 -3.440 17414 3947 1 9 . 1 1 18 18 ARG HA H 18 4.679 4.584 0.095 17414 3948 1 9 . 1 1 18 18 ARG CA C 18 54.802 55.432 -0.630 17414 3949 1 9 . 1 1 18 18 ARG CB C 18 29.657 31.742 -2.085 17414 3950 1 9 . 1 1 19 19 ILE N N 19 125.005 128.154 -3.149 17414 3951 1 9 . 1 1 19 19 ILE HA H 19 3.696 3.822 -0.126 17414 3952 1 9 . 1 1 19 19 ILE CA C 19 66.021 63.999 2.022 17414 3953 1 9 . 1 1 19 19 ILE CB C 19 37.936 37.781 0.155 17414 3954 1 9 . 1 1 20 20 GLU N N 20 123.813 120.996 2.817 17414 3955 1 9 . 1 1 20 20 GLU HA H 20 2.787 3.354 -0.567 17414 3956 1 9 . 1 1 20 20 GLU CA C 20 57.675 59.223 -1.548 17414 3957 1 9 . 1 1 20 20 GLU CB C 20 28.945 29.345 -0.400 17414 3958 1 9 . 1 1 21 21 ASP N N 21 123.330 118.110 5.220 17414 3959 1 9 . 1 1 21 21 ASP HA H 21 4.489 4.461 0.028 17414 3960 1 9 . 1 1 21 21 ASP CA C 21 55.734 56.661 -0.927 17414 3961 1 9 . 1 1 21 21 ASP CB C 21 40.038 40.935 -0.897 17414 3962 1 9 . 1 1 22 22 VAL N N 22 121.407 120.812 0.595 17414 3963 1 9 . 1 1 22 22 VAL HA H 22 3.303 3.498 -0.195 17414 3964 1 9 . 1 1 22 22 VAL CA C 22 65.768 66.449 -0.681 17414 3965 1 9 . 1 1 22 22 VAL CB C 22 31.327 31.480 -0.153 17414 3966 1 9 . 1 1 23 23 VAL N N 23 116.800 120.419 -3.619 17414 3967 1 9 . 1 1 23 23 VAL HA H 23 3.928 3.663 0.265 17414 3968 1 9 . 1 1 23 23 VAL CA C 23 66.310 66.349 -0.039 17414 3969 1 9 . 1 1 24 24 GLY N N 24 120.577 108.229 12.348 17414 3970 1 9 . 1 1 25 25 GLY N N 25 103.034 108.192 -5.158 17414 3971 1 9 . 1 1 25 25 GLY CA C 25 43.755 44.752 -0.997 17414 3972 1 9 . 1 1 26 26 ARG N N 26 122.306 114.863 7.443 17414 3973 1 9 . 1 1 26 26 ARG HA H 26 1.544 3.002 -1.458 17414 3974 1 9 . 1 1 26 26 ARG CA C 26 55.119 56.248 -1.129 17414 3975 1 9 . 1 1 26 26 ARG CB C 26 26.620 27.921 -1.301 17414 3976 1 9 . 1 1 27 27 LYS N N 27 115.887 119.075 -3.188 17414 3977 1 9 . 1 1 27 27 LYS HA H 27 4.168 4.464 -0.296 17414 3978 1 9 . 1 1 27 27 LYS CB C 27 33.503 32.354 1.149 17414 3979 1 9 . 1 1 28 28 PRO HA H 28 5.145 4.662 0.483 17414 3980 1 9 . 1 1 28 28 PRO CA C 28 61.507 63.725 -2.218 17414 3981 1 9 . 1 1 28 28 PRO CB C 28 27.787 31.544 -3.757 17414 3982 1 9 . 1 1 29 29 ILE N N 29 116.657 119.219 -2.562 17414 3983 1 9 . 1 1 29 29 ILE HA H 29 4.443 4.112 0.331 17414 3984 1 9 . 1 1 29 29 ILE CA C 29 60.723 60.646 0.077 17414 3985 1 9 . 1 1 29 29 ILE CB C 29 38.563 38.873 -0.310 17414 3986 1 9 . 1 1 30 30 HIS N N 30 118.274 119.378 -1.104 17414 3987 1 9 . 1 1 30 30 HIS HA H 30 5.152 5.293 -0.141 17414 3988 1 9 . 1 1 30 30 HIS CA C 30 55.902 54.066 1.836 17414 3989 1 9 . 1 1 30 30 HIS CB C 30 30.925 34.236 -3.311 17414 3990 1 9 . 1 1 31 31 VAL N N 31 107.262 115.796 -8.534 17414 3991 1 9 . 1 1 31 31 VAL HA H 31 5.212 4.841 0.371 17414 3992 1 9 . 1 1 31 31 VAL CA C 31 57.692 59.234 -1.542 17414 3993 1 9 . 1 1 31 31 VAL CB C 31 34.153 36.354 -2.201 17414 3994 1 9 . 1 1 32 32 VAL N N 32 119.900 122.331 -2.431 17414 3995 1 9 . 1 1 32 32 VAL HA H 32 4.246 4.539 -0.293 17414 3996 1 9 . 1 1 32 32 VAL CA C 32 62.504 61.927 0.577 17414 3997 1 9 . 1 1 33 33 ALA N N 33 128.967 130.452 -1.485 17414 3998 1 9 . 1 1 33 33 ALA HA H 33 4.522 5.333 -0.811 17414 3999 1 9 . 1 1 33 33 ALA CA C 33 49.594 50.407 -0.813 17414 4000 1 9 . 1 1 33 33 ALA CB C 33 23.635 22.592 1.043 17414 4001 1 9 . 1 1 34 34 ALA N N 34 121.236 120.859 0.377 17414 4002 1 9 . 1 1 34 34 ALA HA H 34 5.207 5.273 -0.066 17414 4003 1 9 . 1 1 34 34 ALA CA C 34 49.704 50.652 -0.948 17414 4004 1 9 . 1 1 35 35 ALA N N 35 125.943 123.525 2.418 17414 4005 1 9 . 1 1 35 35 ALA HA H 35 4.633 4.690 -0.057 17414 4006 1 9 . 1 1 35 35 ALA CA C 35 50.168 49.892 0.276 17414 4007 1 9 . 1 1 35 35 ALA CB C 35 20.121 21.848 -1.727 17414 4008 1 9 . 1 1 36 36 LYS N N 36 121.159 118.172 2.987 17414 4009 1 9 . 1 1 36 36 LYS HA H 36 4.272 4.134 0.138 17414 4010 1 9 . 1 1 36 36 LYS CA C 36 58.723 58.589 0.134 17414 4011 1 9 . 1 1 37 37 ASP N N 37 115.815 115.727 0.088 17414 4012 1 9 . 1 1 37 37 ASP HA H 37 4.526 4.560 -0.034 17414 4013 1 9 . 1 1 37 37 ASP CA C 37 52.534 53.580 -1.046 17414 4014 1 9 . 1 1 37 37 ASP CB C 37 39.654 40.203 -0.549 17414 4015 1 9 . 1 1 38 38 GLY N N 38 107.649 110.272 -2.623 17414 4016 1 9 . 1 1 38 38 GLY CA C 38 45.025 46.037 -1.012 17414 4017 1 9 . 1 1 39 39 THR N N 39 110.428 112.650 -2.222 17414 4018 1 9 . 1 1 39 39 THR HA H 39 4.265 4.516 -0.251 17414 4019 1 9 . 1 1 39 39 THR CA C 39 60.883 60.147 0.736 17414 4020 1 9 . 1 1 39 39 THR CB C 39 70.144 70.488 -0.344 17414 4021 1 9 . 1 1 40 40 LEU N N 40 120.829 125.499 -4.670 17414 4022 1 9 . 1 1 40 40 LEU HA H 40 5.312 5.237 0.075 17414 4023 1 9 . 1 1 40 40 LEU CA C 40 53.146 54.023 -0.877 17414 4024 1 9 . 1 1 40 40 LEU CB C 40 41.870 43.326 -1.456 17414 4025 1 9 . 1 1 41 41 HIS N N 41 120.175 120.498 -0.323 17414 4026 1 9 . 1 1 41 41 HIS HA H 41 4.622 4.975 -0.353 17414 4027 1 9 . 1 1 41 41 HIS CA C 41 54.675 54.758 -0.083 17414 4028 1 9 . 1 1 41 41 HIS CB C 41 35.374 33.571 1.803 17414 4029 1 9 . 1 1 42 42 ALA N N 42 125.084 125.981 -0.897 17414 4030 1 9 . 1 1 42 42 ALA HA H 42 5.530 4.651 0.879 17414 4031 1 9 . 1 1 42 42 ALA CA C 42 50.934 52.510 -1.576 17414 4032 1 9 . 1 1 42 42 ALA CB C 42 18.920 19.583 -0.663 17414 4033 1 9 . 1 1 43 43 ARG N N 43 124.440 121.571 2.869 17414 4034 1 9 . 1 1 43 43 ARG HA H 43 5.177 4.941 0.236 17414 4035 1 9 . 1 1 43 43 ARG CA C 43 50.736 52.749 -2.013 17414 4036 1 9 . 1 1 43 43 ARG CB C 43 35.105 33.096 2.009 17414 4037 1 9 . 1 1 44 44 PRO HA H 44 4.506 4.106 0.400 17414 4038 1 9 . 1 1 44 44 PRO CA C 44 61.661 62.197 -0.536 17414 4039 1 9 . 1 1 44 44 PRO CB C 44 32.437 32.198 0.239 17414 4040 1 9 . 1 1 45 45 VAL N N 45 119.113 120.227 -1.114 17414 4041 1 9 . 1 1 45 45 VAL HA H 45 4.195 4.242 -0.047 17414 4042 1 9 . 1 1 45 45 VAL CA C 45 61.770 61.475 0.295 17414 4043 1 9 . 1 1 45 45 VAL CB C 45 32.099 33.086 -0.987 17414 4044 1 9 . 1 1 46 46 VAL N N 46 114.811 119.508 -4.697 17414 4045 1 9 . 1 1 46 46 VAL HA H 46 4.117 4.351 -0.234 17414 4046 1 9 . 1 1 46 46 VAL CA C 46 59.689 60.845 -1.156 17414 4047 1 9 . 1 1 46 46 VAL CB C 46 33.207 33.265 -0.058 17414 4048 1 9 . 1 1 47 47 SER N N 47 113.271 113.011 0.260 17414 4049 1 9 . 1 1 47 47 SER HA H 47 3.992 3.988 0.004 17414 4050 1 9 . 1 1 47 47 SER CA C 47 56.916 56.283 0.633 17414 4051 1 9 . 1 1 47 47 SER CB C 47 65.285 65.070 0.215 17414 4052 1 9 . 1 1 48 48 TRP N N 48 120.998 125.046 -4.048 17414 4053 1 9 . 1 1 48 48 TRP HA H 48 4.518 5.330 -0.812 17414 4054 1 9 . 1 1 48 48 TRP CA C 48 58.275 56.074 2.201 17414 4055 1 9 . 1 1 48 48 TRP CB C 48 32.474 32.682 -0.208 17414 4056 1 9 . 1 1 49 49 PHE N N 49 120.098 121.795 -1.697 17414 4057 1 9 . 1 1 49 49 PHE HA H 49 5.159 5.092 0.067 17414 4058 1 9 . 1 1 49 49 PHE CA C 49 55.741 56.258 -0.517 17414 4059 1 9 . 1 1 49 49 PHE CB C 49 40.992 43.487 -2.495 17414 4060 1 9 . 1 1 50 50 ASP N N 50 127.259 121.615 5.644 17414 4061 1 9 . 1 1 50 50 ASP HA H 50 4.829 5.004 -0.175 17414 4062 1 9 . 1 1 50 50 ASP CA C 50 53.464 53.599 -0.135 17414 4063 1 9 . 1 1 50 50 ASP CB C 50 40.713 41.703 -0.990 17414 4064 1 9 . 1 1 51 51 GLN N N 51 123.758 121.560 2.198 17414 4065 1 9 . 1 1 51 51 GLN HA H 51 4.902 4.505 0.397 17414 4066 1 9 . 1 1 51 51 GLN CA C 51 55.613 55.698 -0.085 17414 4067 1 9 . 1 1 52 52 GLY N N 52 108.682 108.845 -0.163 17414 4068 1 9 . 1 1 52 52 GLY CA C 52 44.063 45.739 -1.676 17414 4069 1 9 . 1 1 53 53 THR N N 53 118.925 110.055 8.870 17414 4070 1 9 . 1 1 53 53 THR HA H 53 4.734 4.522 0.212 17414 4071 1 9 . 1 1 53 53 THR CA C 53 62.734 63.828 -1.094 17414 4072 1 9 . 1 1 53 53 THR CB C 53 67.881 68.034 -0.153 17414 4073 1 9 . 1 1 54 54 ARG N N 54 125.981 125.061 0.920 17414 4074 1 9 . 1 1 54 54 ARG HA H 54 4.677 4.907 -0.230 17414 4075 1 9 . 1 1 54 54 ARG CA C 54 53.580 54.015 -0.435 17414 4076 1 9 . 1 1 54 54 ARG CB C 54 35.619 34.725 0.894 17414 4077 1 9 . 1 1 55 55 ASP N N 55 119.621 121.632 -2.011 17414 4078 1 9 . 1 1 55 55 ASP HA H 55 4.973 5.044 -0.071 17414 4079 1 9 . 1 1 55 55 ASP CA C 55 54.236 54.478 -0.242 17414 4080 1 9 . 1 1 55 55 ASP CB C 55 40.704 42.251 -1.547 17414 4081 1 9 . 1 1 56 56 VAL N N 56 114.565 118.095 -3.530 17414 4082 1 9 . 1 1 56 56 VAL HA H 56 4.804 4.969 -0.165 17414 4083 1 9 . 1 1 56 56 VAL CA C 56 58.672 59.305 -0.633 17414 4084 1 9 . 1 1 56 56 VAL CB C 56 34.813 35.962 -1.149 17414 4085 1 9 . 1 1 57 57 ILE N N 57 114.855 120.430 -5.575 17414 4086 1 9 . 1 1 57 57 ILE HA H 57 4.740 5.071 -0.331 17414 4087 1 9 . 1 1 57 57 ILE CA C 57 58.799 59.384 -0.585 17414 4088 1 9 . 1 1 57 57 ILE CB C 57 41.197 40.431 0.766 17414 4089 1 9 . 1 1 58 58 GLY N N 58 107.378 109.192 -1.814 17414 4090 1 9 . 1 1 58 58 GLY CA C 58 43.036 43.305 -0.269 17414 4091 1 9 . 1 1 59 59 LEU N N 59 124.061 125.098 -1.037 17414 4092 1 9 . 1 1 59 59 LEU HA H 59 4.677 4.750 -0.073 17414 4093 1 9 . 1 1 59 59 LEU CA C 59 52.282 53.564 -1.282 17414 4094 1 9 . 1 1 59 59 LEU CB C 59 42.668 43.238 -0.570 17414 4095 1 9 . 1 1 60 60 ARG N N 60 124.178 125.110 -0.932 17414 4096 1 9 . 1 1 60 60 ARG HA H 60 4.799 4.641 0.158 17414 4097 1 9 . 1 1 61 61 ILE N N 61 128.222 127.885 0.337 17414 4098 1 9 . 1 1 61 61 ILE HA H 61 4.492 4.445 0.047 17414 4099 1 9 . 1 1 61 61 ILE CA C 61 58.741 60.083 -1.342 17414 4100 1 9 . 1 1 61 61 ILE CB C 61 37.622 38.318 -0.696 17414 4101 1 9 . 1 1 62 62 ALA N N 62 128.005 131.896 -3.891 17414 4102 1 9 . 1 1 62 62 ALA HA H 62 4.108 3.989 0.119 17414 4103 1 9 . 1 1 62 62 ALA CA C 62 54.129 53.376 0.753 17414 4104 1 9 . 1 1 62 62 ALA CB C 62 18.002 18.003 -0.001 17414 4105 1 9 . 1 1 63 63 GLY CA C 63 44.912 45.541 -0.629 17414 4106 1 9 . 1 1 64 64 GLY N N 64 107.906 108.362 -0.456 17414 4107 1 9 . 1 1 64 64 GLY CA C 64 44.751 46.451 -1.700 17414 4108 1 9 . 1 1 65 65 ALA N N 65 125.759 124.185 1.574 17414 4109 1 9 . 1 1 65 65 ALA HA H 65 4.394 4.662 -0.268 17414 4110 1 9 . 1 1 65 65 ALA CA C 65 51.764 51.368 0.396 17414 4111 1 9 . 1 1 65 65 ALA CB C 65 19.458 21.000 -1.542 17414 4112 1 9 . 1 1 66 66 ILE N N 66 118.136 119.403 -1.267 17414 4113 1 9 . 1 1 66 66 ILE HA H 66 4.705 5.035 -0.330 17414 4114 1 9 . 1 1 66 66 ILE CA C 66 59.670 59.583 0.087 17414 4115 1 9 . 1 1 66 66 ILE CB C 66 40.415 42.548 -2.133 17414 4116 1 9 . 1 1 67 67 LEU N N 67 127.715 127.593 0.122 17414 4117 1 9 . 1 1 67 67 LEU HA H 67 4.728 5.035 -0.307 17414 4118 1 9 . 1 1 67 67 LEU CA C 67 53.331 53.248 0.083 17414 4119 1 9 . 1 1 67 67 LEU CB C 67 44.102 45.456 -1.354 17414 4120 1 9 . 1 1 68 68 TRP N N 68 129.332 128.430 0.902 17414 4121 1 9 . 1 1 68 68 TRP HA H 68 5.672 5.562 0.110 17414 4122 1 9 . 1 1 68 68 TRP CA C 68 54.812 55.816 -1.004 17414 4123 1 9 . 1 1 68 68 TRP CB C 68 29.742 31.360 -1.618 17414 4124 1 9 . 1 1 69 69 ALA N N 69 124.233 123.720 0.513 17414 4125 1 9 . 1 1 69 69 ALA HA H 69 5.243 4.904 0.339 17414 4126 1 9 . 1 1 69 69 ALA CA C 69 49.203 51.331 -2.128 17414 4127 1 9 . 1 1 69 69 ALA CB C 69 22.138 23.334 -1.196 17414 4128 1 9 . 1 1 70 70 THR N N 70 111.459 110.656 0.803 17414 4129 1 9 . 1 1 70 70 THR HA H 70 5.152 4.851 0.301 17414 4130 1 9 . 1 1 70 70 THR CA C 70 60.495 60.402 0.093 17414 4131 1 9 . 1 1 70 70 THR CB C 70 67.570 68.982 -1.412 17414 4132 1 9 . 1 1 71 71 PRO HA H 71 4.165 4.535 -0.370 17414 4133 1 9 . 1 1 71 71 PRO CA C 71 64.390 64.773 -0.383 17414 4134 1 9 . 1 1 72 72 ASP N N 72 112.234 116.427 -4.193 17414 4135 1 9 . 1 1 72 72 ASP HA H 72 4.505 4.767 -0.262 17414 4136 1 9 . 1 1 72 72 ASP CA C 72 52.827 54.515 -1.688 17414 4137 1 9 . 1 1 73 73 HIS N N 73 125.389 119.824 5.565 17414 4138 1 9 . 1 1 73 73 HIS HA H 73 3.796 4.491 -0.695 17414 4139 1 9 . 1 1 73 73 HIS CA C 73 58.310 56.695 1.615 17414 4140 1 9 . 1 1 73 73 HIS CB C 73 32.385 30.554 1.831 17414 4141 1 9 . 1 1 74 74 LYS N N 74 127.412 125.506 1.906 17414 4142 1 9 . 1 1 74 74 LYS HA H 74 4.661 4.475 0.186 17414 4143 1 9 . 1 1 74 74 LYS CA C 74 56.845 56.111 0.734 17414 4144 1 9 . 1 1 75 75 VAL N N 75 125.726 124.624 1.102 17414 4145 1 9 . 1 1 75 75 VAL HA H 75 4.754 4.650 0.104 17414 4146 1 9 . 1 1 75 75 VAL CA C 75 60.739 61.107 -0.368 17414 4147 1 9 . 1 1 75 75 VAL CB C 75 35.276 34.187 1.089 17414 4148 1 9 . 1 1 76 76 LEU N N 76 129.759 130.004 -0.245 17414 4149 1 9 . 1 1 76 76 LEU HA H 76 3.514 4.180 -0.666 17414 4150 1 9 . 1 1 76 76 LEU CA C 76 55.222 54.137 1.085 17414 4151 1 9 . 1 1 76 76 LEU CB C 76 39.052 42.006 -2.954 17414 4152 1 9 . 1 1 77 77 THR N N 77 116.138 116.879 -0.741 17414 4153 1 9 . 1 1 77 77 THR HA H 77 5.295 4.774 0.521 17414 4154 1 9 . 1 1 77 77 THR CA C 77 59.543 60.292 -0.749 17414 4155 1 9 . 1 1 78 78 GLU N N 78 119.986 119.559 0.427 17414 4156 1 9 . 1 1 78 78 GLU HA H 78 3.558 3.821 -0.263 17414 4157 1 9 . 1 1 78 78 GLU CA C 78 57.551 58.062 -0.511 17414 4158 1 9 . 1 1 78 78 GLU CB C 78 28.385 28.497 -0.112 17414 4159 1 9 . 1 1 79 79 TYR N N 79 117.251 118.235 -0.984 17414 4160 1 9 . 1 1 79 79 TYR HA H 79 4.749 4.548 0.201 17414 4161 1 9 . 1 1 79 79 TYR CA C 79 55.553 58.070 -2.517 17414 4162 1 9 . 1 1 79 79 TYR CB C 79 37.935 39.026 -1.091 17414 4163 1 9 . 1 1 80 80 GLY N N 80 106.884 107.333 -0.449 17414 4164 1 9 . 1 1 80 80 GLY CA C 80 42.757 44.434 -1.677 17414 4165 1 9 . 1 1 81 81 TRP N N 81 125.593 123.005 2.588 17414 4166 1 9 . 1 1 81 81 TRP HA H 81 4.884 5.178 -0.294 17414 4167 1 9 . 1 1 81 81 TRP CA C 81 57.790 57.537 0.253 17414 4168 1 9 . 1 1 81 81 TRP CB C 81 29.255 30.786 -1.531 17414 4169 1 9 . 1 1 82 82 ARG N N 82 124.625 122.631 1.994 17414 4170 1 9 . 1 1 82 82 ARG HA H 82 4.773 4.986 -0.213 17414 4171 1 9 . 1 1 82 82 ARG CA C 82 53.895 54.012 -0.117 17414 4172 1 9 . 1 1 83 83 ALA N N 83 125.891 127.271 -1.380 17414 4173 1 9 . 1 1 83 83 ALA HA H 83 4.293 4.268 0.025 17414 4174 1 9 . 1 1 83 83 ALA CA C 83 51.686 52.567 -0.881 17414 4175 1 9 . 1 1 84 84 ALA N N 84 125.790 125.860 -0.070 17414 4176 1 9 . 1 1 84 84 ALA HA H 84 3.930 3.969 -0.039 17414 4177 1 9 . 1 1 84 84 ALA CB C 84 17.269 18.485 -1.216 17414 4178 1 9 . 1 1 85 85 GLY N N 85 102.306 105.272 -2.966 17414 4179 1 9 . 1 1 86 86 GLU N N 86 117.564 117.983 -0.419 17414 4180 1 9 . 1 1 86 86 GLU HA H 86 4.414 4.403 0.011 17414 4181 1 9 . 1 1 86 86 GLU CA C 86 55.233 56.385 -1.152 17414 4182 1 9 . 1 1 86 86 GLU CB C 86 30.231 30.643 -0.412 17414 4183 1 9 . 1 1 87 87 LEU N N 87 119.746 122.115 -2.369 17414 4184 1 9 . 1 1 87 87 LEU HA H 87 4.417 4.259 0.158 17414 4185 1 9 . 1 1 87 87 LEU CA C 87 54.274 54.995 -0.721 17414 4186 1 9 . 1 1 87 87 LEU CB C 87 41.471 42.359 -0.888 17414 4187 1 9 . 1 1 88 88 ARG N N 88 120.899 124.012 -3.113 17414 4188 1 9 . 1 1 88 88 ARG HA H 88 4.627 4.935 -0.308 17414 4189 1 9 . 1 1 88 88 ARG CA C 88 52.594 54.047 -1.453 17414 4190 1 9 . 1 1 89 89 LYS N N 89 119.795 124.615 -4.820 17414 4191 1 9 . 1 1 89 89 LYS HA H 89 3.669 3.861 -0.192 17414 4192 1 9 . 1 1 89 89 LYS CA C 89 57.770 58.347 -0.577 17414 4193 1 9 . 1 1 90 90 GLY N N 90 115.070 112.615 2.455 17414 4194 1 9 . 1 1 90 90 GLY CA C 90 44.499 45.406 -0.907 17414 4195 1 9 . 1 1 91 91 ASP N N 91 121.652 121.571 0.081 17414 4196 1 9 . 1 1 91 91 ASP HA H 91 4.716 4.792 -0.076 17414 4197 1 9 . 1 1 91 91 ASP CA C 91 55.866 54.021 1.845 17414 4198 1 9 . 1 1 92 92 ARG N N 92 117.826 123.340 -5.514 17414 4199 1 9 . 1 1 92 92 ARG HA H 92 5.241 5.042 0.199 17414 4200 1 9 . 1 1 92 92 ARG CA C 92 54.976 55.901 -0.925 17414 4201 1 9 . 1 1 92 92 ARG CB C 92 31.655 31.386 0.269 17414 4202 1 9 . 1 1 93 93 VAL N N 93 115.034 118.177 -3.143 17414 4203 1 9 . 1 1 93 93 VAL HA H 93 4.839 4.895 -0.056 17414 4204 1 9 . 1 1 93 93 VAL CA C 93 58.222 59.503 -1.281 17414 4205 1 9 . 1 1 94 94 ALA N N 94 126.192 124.969 1.223 17414 4206 1 9 . 1 1 94 94 ALA HA H 94 4.271 3.765 0.506 17414 4207 1 9 . 1 1 94 94 ALA CA C 94 50.975 51.707 -0.732 17414 4208 1 9 . 1 1 94 94 ALA CB C 94 18.748 18.757 -0.009 17414 4209 1 9 . 1 1 95 95 VAL N N 95 115.179 116.370 -1.191 17414 4210 1 9 . 1 1 95 95 VAL HA H 95 5.317 4.928 0.389 17414 4211 1 9 . 1 1 95 95 VAL CA C 95 57.154 58.795 -1.641 17414 4212 1 9 . 1 1 95 95 VAL CB C 95 35.186 35.774 -0.588 17414 4213 1 9 . 1 1 96 96 ARG N N 96 119.288 122.149 -2.861 17414 4214 1 9 . 1 1 96 96 ARG HA H 96 4.230 4.913 -0.683 17414 4215 1 9 . 1 1 96 96 ARG CA C 96 53.613 54.313 -0.700 17414 4216 1 9 . 1 1 96 96 ARG CB C 96 31.697 32.879 -1.182 17414 4217 1 9 . 1 1 97 97 ASP N N 97 131.180 125.748 5.432 17414 4218 1 9 . 1 1 97 97 ASP HA H 97 4.415 4.796 -0.381 17414 4219 1 9 . 1 1 97 97 ASP CA C 97 53.887 52.877 1.010 17414 4220 1 9 . 1 1 97 97 ASP CB C 97 42.723 42.281 0.442 17414 4221 1 9 . 1 1 98 98 VAL N N 98 126.152 125.619 0.533 17414 4222 1 9 . 1 1 98 98 VAL HA H 98 3.489 3.759 -0.270 17414 4223 1 9 . 1 1 98 98 VAL CA C 98 64.431 65.944 -1.513 17414 4224 1 9 . 1 1 98 98 VAL CB C 98 31.047 31.310 -0.263 17414 4225 1 9 . 1 1 99 99 GLU N N 99 118.883 120.819 -1.936 17414 4226 1 9 . 1 1 99 99 GLU HA H 99 4.127 4.085 0.042 17414 4227 1 9 . 1 1 99 99 GLU CA C 99 58.178 59.097 -0.919 17414 4228 1 9 . 1 1 99 99 GLU CB C 99 29.591 29.983 -0.392 17414 4229 1 9 . 1 1 100 100 THR N N 100 106.301 107.957 -1.656 17414 4230 1 9 . 1 1 100 100 THR HA H 100 4.316 4.417 -0.101 17414 4231 1 9 . 1 1 100 100 THR CA C 100 61.407 62.123 -0.716 17414 4232 1 9 . 1 1 100 100 THR CB C 100 70.856 70.625 0.231 17414 4233 1 9 . 1 1 101 101 GLY N N 101 111.204 111.835 -0.631 17414 4234 1 9 . 1 1 101 101 GLY CA C 101 45.284 45.385 -0.101 17414 4235 1 9 . 1 1 102 102 GLU N N 102 118.458 120.694 -2.236 17414 4236 1 9 . 1 1 102 102 GLU HA H 102 4.301 4.365 -0.064 17414 4237 1 9 . 1 1 102 102 GLU CA C 102 55.160 56.237 -1.077 17414 4238 1 9 . 1 1 102 102 GLU CB C 102 31.769 31.047 0.722 17414 4239 1 9 . 1 1 103 103 LEU N N 103 121.701 124.557 -2.856 17414 4240 1 9 . 1 1 103 103 LEU HA H 103 4.716 4.709 0.007 17414 4241 1 9 . 1 1 103 103 LEU CA C 103 54.930 54.835 0.095 17414 4242 1 9 . 1 1 103 103 LEU CB C 103 42.346 43.160 -0.814 17414 4243 1 9 . 1 1 104 104 ARG N N 104 127.157 123.762 3.395 17414 4244 1 9 . 1 1 104 104 ARG HA H 104 4.403 5.133 -0.730 17414 4245 1 9 . 1 1 104 104 ARG CA C 104 53.201 53.587 -0.386 17414 4246 1 9 . 1 1 104 104 ARG CB C 104 32.989 34.119 -1.130 17414 4247 1 9 . 1 1 105 105 TYR N N 105 116.202 116.623 -0.421 17414 4248 1 9 . 1 1 105 105 TYR HA H 105 5.490 5.420 0.070 17414 4249 1 9 . 1 1 105 105 TYR CA C 105 56.831 56.685 0.146 17414 4250 1 9 . 1 1 105 105 TYR CB C 105 40.116 42.655 -2.539 17414 4251 1 9 . 1 1 106 106 SER N N 106 118.250 115.112 3.138 17414 4252 1 9 . 1 1 106 106 SER HA H 106 4.807 5.034 -0.227 17414 4253 1 9 . 1 1 106 106 SER CA C 106 55.888 57.512 -1.624 17414 4254 1 9 . 1 1 106 106 SER CB C 106 66.301 66.812 -0.511 17414 4255 1 9 . 1 1 107 107 VAL N N 107 122.160 122.361 -0.201 17414 4256 1 9 . 1 1 107 107 VAL HA H 107 4.423 4.540 -0.117 17414 4257 1 9 . 1 1 107 107 VAL CA C 107 61.369 60.894 0.475 17414 4258 1 9 . 1 1 107 107 VAL CB C 107 33.633 33.528 0.105 17414 4259 1 9 . 1 1 108 108 ILE N N 108 123.427 127.198 -3.771 17414 4260 1 9 . 1 1 108 108 ILE HA H 108 4.100 4.250 -0.150 17414 4261 1 9 . 1 1 108 108 ILE CA C 108 61.321 61.136 0.185 17414 4262 1 9 . 1 1 108 108 ILE CB C 108 37.408 38.357 -0.949 17414 4263 1 9 . 1 1 109 109 ARG N N 109 130.207 128.007 2.200 17414 4264 1 9 . 1 1 109 109 ARG HA H 109 4.254 4.374 -0.120 17414 4265 1 9 . 1 1 109 109 ARG CA C 109 55.904 57.195 -1.291 17414 4266 1 9 . 1 1 110 110 GLU N N 110 116.804 117.669 -0.865 17414 4267 1 9 . 1 1 110 110 GLU HA H 110 4.274 4.645 -0.371 17414 4268 1 9 . 1 1 110 110 GLU CA C 110 55.889 56.216 -0.327 17414 4269 1 9 . 1 1 110 110 GLU CB C 110 33.186 33.632 -0.446 17414 4270 1 9 . 1 1 111 111 VAL N N 111 125.709 127.075 -1.366 17414 4271 1 9 . 1 1 111 111 VAL HA H 111 4.709 4.574 0.135 17414 4272 1 9 . 1 1 111 111 VAL CA C 111 60.903 61.436 -0.533 17414 4273 1 9 . 1 1 111 111 VAL CB C 111 31.927 33.321 -1.394 17414 4274 1 9 . 1 1 112 112 LEU N N 112 132.638 128.045 4.593 17414 4275 1 9 . 1 1 112 112 LEU HA H 112 4.741 4.806 -0.065 17414 4276 1 9 . 1 1 112 112 LEU CA C 112 52.655 52.203 0.452 17414 4277 1 9 . 1 1 112 112 LEU CB C 112 40.998 42.266 -1.268 17414 4278 1 9 . 1 1 113 113 PRO HA H 113 4.532 4.600 -0.068 17414 4279 1 9 . 1 1 113 113 PRO CA C 113 61.916 62.277 -0.361 17414 4280 1 9 . 1 1 113 113 PRO CB C 113 32.608 32.578 0.030 17414 4281 1 9 . 1 1 114 114 THR N N 114 112.542 112.873 -0.331 17414 4282 1 9 . 1 1 114 114 THR HA H 114 4.973 4.785 0.188 17414 4283 1 9 . 1 1 114 114 THR CA C 114 61.865 61.328 0.537 17414 4284 1 9 . 1 1 114 114 THR CB C 114 69.345 70.299 -0.954 17414 4285 1 9 . 1 1 115 115 ARG N N 115 123.213 119.727 3.486 17414 4286 1 9 . 1 1 115 115 ARG HA H 115 4.694 5.056 -0.362 17414 4287 1 9 . 1 1 115 115 ARG CA C 115 54.302 54.645 -0.343 17414 4288 1 9 . 1 1 115 115 ARG CB C 115 32.684 31.156 1.528 17414 4289 1 9 . 1 1 116 116 ARG N N 116 119.004 118.487 0.517 17414 4290 1 9 . 1 1 116 116 ARG HA H 116 4.879 4.967 -0.088 17414 4291 1 9 . 1 1 116 116 ARG CA C 116 54.554 54.995 -0.441 17414 4292 1 9 . 1 1 116 116 ARG CB C 116 30.285 34.276 -3.991 17414 4293 1 9 . 1 1 117 117 ALA N N 117 124.834 122.478 2.356 17414 4294 1 9 . 1 1 117 117 ALA HA H 117 4.599 4.739 -0.140 17414 4295 1 9 . 1 1 117 117 ALA CA C 117 50.434 51.011 -0.577 17414 4296 1 9 . 1 1 117 117 ALA CB C 117 23.139 22.819 0.320 17414 4297 1 9 . 1 1 118 118 ARG N N 118 120.885 120.144 0.741 17414 4298 1 9 . 1 1 118 118 ARG HA H 118 3.925 4.604 -0.679 17414 4299 1 9 . 1 1 118 118 ARG CA C 118 57.559 56.487 1.072 17414 4300 1 9 . 1 1 118 118 ARG CB C 118 30.409 30.910 -0.501 17414 4301 1 9 . 1 1 119 119 THR N N 119 111.492 115.026 -3.534 17414 4302 1 9 . 1 1 119 119 THR HA H 119 5.309 5.326 -0.017 17414 4303 1 9 . 1 1 119 119 THR CA C 119 60.071 59.367 0.704 17414 4304 1 9 . 1 1 119 119 THR CB C 119 72.737 71.815 0.922 17414 4305 1 9 . 1 1 120 120 PHE N N 120 113.949 120.026 -6.077 17414 4306 1 9 . 1 1 120 120 PHE HA H 120 5.311 5.319 -0.008 17414 4307 1 9 . 1 1 120 120 PHE CA C 120 57.898 56.446 1.452 17414 4308 1 9 . 1 1 120 120 PHE CB C 120 46.203 43.408 2.795 17414 4309 1 9 . 1 1 121 121 ASP N N 121 118.841 120.643 -1.802 17414 4310 1 9 . 1 1 121 121 ASP HA H 121 5.352 5.159 0.193 17414 4311 1 9 . 1 1 121 121 ASP CA C 121 55.227 53.803 1.424 17414 4312 1 9 . 1 1 121 121 ASP CB C 121 47.673 44.384 3.289 17414 4313 1 9 . 1 1 122 122 LEU N N 122 118.637 126.828 -8.191 17414 4314 1 9 . 1 1 122 122 LEU HA H 122 4.809 5.247 -0.438 17414 4315 1 9 . 1 1 122 122 LEU CB C 122 45.915 45.319 0.596 17414 4316 1 9 . 1 1 123 123 GLU N N 123 118.694 121.053 -2.359 17414 4317 1 9 . 1 1 123 123 GLU HA H 123 4.515 4.767 -0.252 17414 4318 1 9 . 1 1 123 123 GLU CA C 123 54.697 55.469 -0.772 17414 4319 1 9 . 1 1 124 124 VAL N N 124 129.259 127.279 1.980 17414 4320 1 9 . 1 1 124 124 VAL HA H 124 4.065 3.990 0.075 17414 4321 1 9 . 1 1 124 124 VAL CA C 124 61.193 62.612 -1.419 17414 4322 1 9 . 1 1 124 124 VAL CB C 124 33.607 31.191 2.416 17414 4323 1 9 . 1 1 125 125 GLU N N 125 128.432 125.757 2.675 17414 4324 1 9 . 1 1 125 125 GLU HA H 125 3.672 3.940 -0.268 17414 4325 1 9 . 1 1 125 125 GLU CA C 125 58.494 58.534 -0.040 17414 4326 1 9 . 1 1 125 125 GLU CB C 125 30.552 28.791 1.761 17414 4327 1 9 . 1 1 126 126 GLU N N 126 120.993 122.175 -1.182 17414 4328 1 9 . 1 1 126 126 GLU HA H 126 3.570 4.513 -0.943 17414 4329 1 9 . 1 1 126 126 GLU CA C 126 61.229 57.787 3.442 17414 4330 1 9 . 1 1 126 126 GLU CB C 126 29.621 31.157 -1.536 17414 4331 1 9 . 1 1 127 127 LEU N N 127 120.945 119.741 1.204 17414 4332 1 9 . 1 1 127 127 LEU HA H 127 4.205 4.330 -0.125 17414 4333 1 9 . 1 1 127 127 LEU CA C 127 55.681 53.907 1.774 17414 4334 1 9 . 1 1 128 128 HIS HA H 128 4.584 4.364 0.220 17414 4335 1 9 . 1 1 128 128 HIS CA C 128 54.566 56.095 -1.529 17414 4336 1 9 . 1 1 128 128 HIS CB C 128 26.062 29.635 -3.573 17414 4337 1 9 . 1 1 129 129 THR N N 129 105.639 114.201 -8.562 17414 4338 1 9 . 1 1 129 129 THR HA H 129 4.899 4.790 0.109 17414 4339 1 9 . 1 1 129 129 THR CA C 129 58.380 61.160 -2.780 17414 4340 1 9 . 1 1 129 129 THR CB C 129 72.980 70.905 2.075 17414 4341 1 9 . 1 1 130 130 LEU N N 130 111.598 121.055 -9.457 17414 4342 1 9 . 1 1 130 130 LEU HA H 130 5.537 5.326 0.211 17414 4343 1 9 . 1 1 130 130 LEU CA C 130 54.683 53.699 0.984 17414 4344 1 9 . 1 1 130 130 LEU CB C 130 44.277 45.437 -1.160 17414 4345 1 9 . 1 1 131 131 VAL N N 131 119.670 120.849 -1.179 17414 4346 1 9 . 1 1 131 131 VAL HA H 131 4.830 4.924 -0.094 17414 4347 1 9 . 1 1 131 131 VAL CA C 131 61.285 60.971 0.314 17414 4348 1 9 . 1 1 131 131 VAL CB C 131 30.272 33.096 -2.824 17414 4349 1 9 . 1 1 132 132 ALA N N 132 134.824 129.640 5.184 17414 4350 1 9 . 1 1 132 132 ALA HA H 132 4.931 4.891 0.040 17414 4351 1 9 . 1 1 132 132 ALA CA C 132 49.999 50.682 -0.683 17414 4352 1 9 . 1 1 132 132 ALA CB C 132 21.422 21.679 -0.257 17414 4353 1 9 . 1 1 133 133 GLU N N 133 118.979 125.084 -6.105 17414 4354 1 9 . 1 1 133 133 GLU HA H 133 3.826 4.084 -0.258 17414 4355 1 9 . 1 1 133 133 GLU CA C 133 57.065 57.760 -0.695 17414 4356 1 9 . 1 1 133 133 GLU CB C 133 26.406 28.356 -1.950 17414 4357 1 9 . 1 1 134 134 GLY N N 134 100.017 104.416 -4.399 17414 4358 1 9 . 1 1 134 134 GLY CA C 134 45.352 46.105 -0.753 17414 4359 1 9 . 1 1 135 135 VAL N N 135 122.381 119.916 2.465 17414 4360 1 9 . 1 1 135 135 VAL HA H 135 4.560 4.713 -0.153 17414 4361 1 9 . 1 1 135 135 VAL CA C 135 60.885 60.371 0.514 17414 4362 1 9 . 1 1 135 135 VAL CB C 135 32.542 35.350 -2.808 17414 4363 1 9 . 1 1 136 136 VAL N N 136 126.302 126.266 0.036 17414 4364 1 9 . 1 1 136 136 VAL HA H 136 4.254 4.734 -0.480 17414 4365 1 9 . 1 1 136 136 VAL CA C 136 63.608 61.590 2.018 17414 4366 1 9 . 1 1 136 136 VAL CB C 136 30.519 32.464 -1.945 17414 4367 1 9 . 1 1 137 137 VAL N N 137 118.757 120.598 -1.841 17414 4368 1 9 . 1 1 137 137 VAL HA H 137 5.743 5.204 0.539 17414 4369 1 9 . 1 1 137 137 VAL CA C 137 58.252 59.772 -1.520 17414 4370 1 9 . 1 1 137 137 VAL CB C 137 36.378 35.962 0.416 17414 4371 1 9 . 1 1 138 138 HIS N N 138 120.902 124.160 -3.258 17414 4372 1 9 . 1 1 138 138 HIS HA H 138 4.434 4.325 0.109 17414 4373 1 9 . 1 1 138 138 HIS CA C 138 56.439 57.576 -1.137 17414 4374 1 9 . 1 1 138 138 HIS CB C 138 30.583 30.436 0.147 17414 4375 1 10 . 1 1 2 2 LEU N N 2 122.945 121.667 1.278 17414 4376 1 10 . 1 1 2 2 LEU HA H 2 5.005 5.132 -0.127 17414 4377 1 10 . 1 1 2 2 LEU CA C 2 53.355 53.496 -0.141 17414 4378 1 10 . 1 1 2 2 LEU CB C 2 43.858 45.148 -1.290 17414 4379 1 10 . 1 1 3 3 ALA N N 3 121.232 127.335 -6.103 17414 4380 1 10 . 1 1 3 3 ALA HA H 3 4.730 4.898 -0.168 17414 4381 1 10 . 1 1 3 3 ALA CA C 3 52.302 51.569 0.733 17414 4382 1 10 . 1 1 3 3 ALA CB C 3 21.769 19.883 1.886 17414 4383 1 10 . 1 1 4 4 GLU N N 4 121.283 121.930 -0.647 17414 4384 1 10 . 1 1 4 4 GLU HA H 4 4.074 3.781 0.293 17414 4385 1 10 . 1 1 4 4 GLU CA C 4 57.136 58.394 -1.258 17414 4386 1 10 . 1 1 4 4 GLU CB C 4 31.847 29.453 2.394 17414 4387 1 10 . 1 1 5 5 GLY N N 5 119.858 115.237 4.621 17414 4388 1 10 . 1 1 5 5 GLY CA C 5 44.157 45.122 -0.965 17414 4389 1 10 . 1 1 6 6 THR N N 6 117.099 116.795 0.304 17414 4390 1 10 . 1 1 6 6 THR HA H 6 4.301 4.159 0.142 17414 4391 1 10 . 1 1 6 6 THR CA C 6 65.228 63.759 1.469 17414 4392 1 10 . 1 1 6 6 THR CB C 6 68.654 69.120 -0.466 17414 4393 1 10 . 1 1 7 7 ARG N N 7 130.107 127.220 2.887 17414 4394 1 10 . 1 1 7 7 ARG HA H 7 4.878 4.654 0.224 17414 4395 1 10 . 1 1 7 7 ARG CA C 7 55.868 56.171 -0.303 17414 4396 1 10 . 1 1 8 8 ILE N N 8 123.872 122.498 1.374 17414 4397 1 10 . 1 1 8 8 ILE HA H 8 4.531 4.669 -0.138 17414 4398 1 10 . 1 1 8 8 ILE CA C 8 59.240 60.484 -1.244 17414 4399 1 10 . 1 1 8 8 ILE CB C 8 40.450 40.256 0.194 17414 4400 1 10 . 1 1 9 9 PHE N N 9 129.317 129.561 -0.244 17414 4401 1 10 . 1 1 9 9 PHE HA H 9 4.832 4.794 0.038 17414 4402 1 10 . 1 1 9 9 PHE CA C 9 56.960 58.024 -1.064 17414 4403 1 10 . 1 1 9 9 PHE CB C 9 40.542 39.779 0.763 17414 4404 1 10 . 1 1 10 10 ASP N N 10 128.073 127.851 0.222 17414 4405 1 10 . 1 1 10 10 ASP HA H 10 5.529 4.942 0.587 17414 4406 1 10 . 1 1 10 10 ASP CA C 10 49.160 48.482 0.678 17414 4407 1 10 . 1 1 10 10 ASP CB C 10 43.037 41.658 1.379 17414 4408 1 10 . 1 1 11 11 PRO HA H 11 3.974 4.209 -0.235 17414 4409 1 10 . 1 1 11 11 PRO CA C 11 62.348 64.877 -2.529 17414 4410 1 10 . 1 1 11 11 PRO CB C 11 30.977 31.966 -0.989 17414 4411 1 10 . 1 1 12 12 VAL N N 12 124.105 116.390 7.715 17414 4412 1 10 . 1 1 12 12 VAL HA H 12 3.591 3.599 -0.008 17414 4413 1 10 . 1 1 12 12 VAL CA C 12 64.849 65.774 -0.925 17414 4414 1 10 . 1 1 13 13 THR N N 13 107.133 112.774 -5.641 17414 4415 1 10 . 1 1 13 13 THR HA H 13 4.228 4.247 -0.019 17414 4416 1 10 . 1 1 13 13 THR CA C 13 60.944 64.216 -3.272 17414 4417 1 10 . 1 1 13 13 THR CB C 13 69.447 69.669 -0.222 17414 4418 1 10 . 1 1 14 14 GLY N N 14 112.897 109.265 3.632 17414 4419 1 10 . 1 1 14 14 GLY CA C 14 45.650 45.663 -0.013 17414 4420 1 10 . 1 1 15 15 THR N N 15 117.286 116.241 1.045 17414 4421 1 10 . 1 1 15 15 THR HA H 15 4.276 4.750 -0.474 17414 4422 1 10 . 1 1 15 15 THR CA C 15 61.382 61.160 0.222 17414 4423 1 10 . 1 1 15 15 THR CB C 15 70.037 71.526 -1.489 17414 4424 1 10 . 1 1 16 16 THR N N 16 120.518 119.115 1.403 17414 4425 1 10 . 1 1 16 16 THR HA H 16 4.911 4.623 0.288 17414 4426 1 10 . 1 1 16 16 THR CA C 16 62.321 62.765 -0.444 17414 4427 1 10 . 1 1 16 16 THR CB C 16 69.184 69.097 0.087 17414 4428 1 10 . 1 1 17 17 HIS N N 17 127.011 126.118 0.893 17414 4429 1 10 . 1 1 17 17 HIS HA H 17 4.586 5.092 -0.506 17414 4430 1 10 . 1 1 17 17 HIS CA C 17 54.406 54.549 -0.143 17414 4431 1 10 . 1 1 17 17 HIS CB C 17 35.299 32.244 3.055 17414 4432 1 10 . 1 1 18 18 ARG N N 18 120.890 121.767 -0.877 17414 4433 1 10 . 1 1 18 18 ARG HA H 18 4.679 4.409 0.270 17414 4434 1 10 . 1 1 18 18 ARG CA C 18 54.802 55.365 -0.563 17414 4435 1 10 . 1 1 18 18 ARG CB C 18 29.657 31.528 -1.871 17414 4436 1 10 . 1 1 19 19 ILE N N 19 125.005 126.648 -1.643 17414 4437 1 10 . 1 1 19 19 ILE HA H 19 3.696 3.857 -0.161 17414 4438 1 10 . 1 1 19 19 ILE CA C 19 66.021 63.951 2.070 17414 4439 1 10 . 1 1 19 19 ILE CB C 19 37.936 37.667 0.269 17414 4440 1 10 . 1 1 20 20 GLU N N 20 123.813 119.250 4.563 17414 4441 1 10 . 1 1 20 20 GLU HA H 20 2.787 3.501 -0.714 17414 4442 1 10 . 1 1 20 20 GLU CA C 20 57.675 58.749 -1.074 17414 4443 1 10 . 1 1 20 20 GLU CB C 20 28.945 28.697 0.248 17414 4444 1 10 . 1 1 21 21 ASP N N 21 123.330 119.961 3.369 17414 4445 1 10 . 1 1 21 21 ASP HA H 21 4.489 4.478 0.011 17414 4446 1 10 . 1 1 21 21 ASP CA C 21 55.734 56.702 -0.968 17414 4447 1 10 . 1 1 21 21 ASP CB C 21 40.038 40.955 -0.917 17414 4448 1 10 . 1 1 22 22 VAL N N 22 121.407 120.966 0.441 17414 4449 1 10 . 1 1 22 22 VAL HA H 22 3.303 3.484 -0.181 17414 4450 1 10 . 1 1 22 22 VAL CA C 22 65.768 66.454 -0.686 17414 4451 1 10 . 1 1 22 22 VAL CB C 22 31.327 31.469 -0.142 17414 4452 1 10 . 1 1 23 23 VAL N N 23 116.800 120.659 -3.859 17414 4453 1 10 . 1 1 23 23 VAL HA H 23 3.928 3.717 0.211 17414 4454 1 10 . 1 1 23 23 VAL CA C 23 66.310 66.493 -0.183 17414 4455 1 10 . 1 1 24 24 GLY N N 24 120.577 108.561 12.016 17414 4456 1 10 . 1 1 25 25 GLY N N 25 103.034 108.086 -5.052 17414 4457 1 10 . 1 1 25 25 GLY CA C 25 43.755 44.865 -1.110 17414 4458 1 10 . 1 1 26 26 ARG N N 26 122.306 115.078 7.228 17414 4459 1 10 . 1 1 26 26 ARG HA H 26 1.544 2.747 -1.203 17414 4460 1 10 . 1 1 26 26 ARG CA C 26 55.119 56.012 -0.893 17414 4461 1 10 . 1 1 26 26 ARG CB C 26 26.620 28.215 -1.595 17414 4462 1 10 . 1 1 27 27 LYS N N 27 115.887 118.697 -2.810 17414 4463 1 10 . 1 1 27 27 LYS HA H 27 4.168 4.426 -0.258 17414 4464 1 10 . 1 1 27 27 LYS CB C 27 33.503 34.056 -0.553 17414 4465 1 10 . 1 1 28 28 PRO HA H 28 5.145 4.679 0.466 17414 4466 1 10 . 1 1 28 28 PRO CA C 28 61.507 62.226 -0.719 17414 4467 1 10 . 1 1 28 28 PRO CB C 28 27.787 29.601 -1.814 17414 4468 1 10 . 1 1 29 29 ILE N N 29 116.657 121.890 -5.233 17414 4469 1 10 . 1 1 29 29 ILE HA H 29 4.443 4.138 0.305 17414 4470 1 10 . 1 1 29 29 ILE CA C 29 60.723 61.377 -0.654 17414 4471 1 10 . 1 1 29 29 ILE CB C 29 38.563 37.906 0.657 17414 4472 1 10 . 1 1 30 30 HIS N N 30 118.274 118.613 -0.339 17414 4473 1 10 . 1 1 30 30 HIS HA H 30 5.152 4.852 0.300 17414 4474 1 10 . 1 1 30 30 HIS CA C 30 55.902 57.110 -1.208 17414 4475 1 10 . 1 1 30 30 HIS CB C 30 30.925 28.592 2.333 17414 4476 1 10 . 1 1 31 31 VAL N N 31 107.262 117.386 -10.124 17414 4477 1 10 . 1 1 31 31 VAL HA H 31 5.212 4.780 0.432 17414 4478 1 10 . 1 1 31 31 VAL CA C 31 57.692 59.263 -1.571 17414 4479 1 10 . 1 1 31 31 VAL CB C 31 34.153 36.435 -2.282 17414 4480 1 10 . 1 1 32 32 VAL N N 32 119.900 122.885 -2.985 17414 4481 1 10 . 1 1 32 32 VAL HA H 32 4.246 4.511 -0.265 17414 4482 1 10 . 1 1 32 32 VAL CA C 32 62.504 62.062 0.442 17414 4483 1 10 . 1 1 33 33 ALA N N 33 128.967 129.901 -0.934 17414 4484 1 10 . 1 1 33 33 ALA HA H 33 4.522 5.287 -0.765 17414 4485 1 10 . 1 1 33 33 ALA CA C 33 49.594 50.158 -0.564 17414 4486 1 10 . 1 1 33 33 ALA CB C 33 23.635 22.785 0.850 17414 4487 1 10 . 1 1 34 34 ALA N N 34 121.236 121.132 0.104 17414 4488 1 10 . 1 1 34 34 ALA HA H 34 5.207 5.370 -0.163 17414 4489 1 10 . 1 1 34 34 ALA CA C 34 49.704 50.670 -0.966 17414 4490 1 10 . 1 1 35 35 ALA N N 35 125.943 123.399 2.544 17414 4491 1 10 . 1 1 35 35 ALA HA H 35 4.633 4.723 -0.090 17414 4492 1 10 . 1 1 35 35 ALA CA C 35 50.168 49.875 0.293 17414 4493 1 10 . 1 1 35 35 ALA CB C 35 20.121 21.620 -1.499 17414 4494 1 10 . 1 1 36 36 LYS N N 36 121.159 117.812 3.347 17414 4495 1 10 . 1 1 36 36 LYS HA H 36 4.272 4.097 0.175 17414 4496 1 10 . 1 1 36 36 LYS CA C 36 58.723 58.717 0.006 17414 4497 1 10 . 1 1 37 37 ASP N N 37 115.815 117.421 -1.606 17414 4498 1 10 . 1 1 37 37 ASP HA H 37 4.526 4.704 -0.178 17414 4499 1 10 . 1 1 37 37 ASP CA C 37 52.534 54.239 -1.705 17414 4500 1 10 . 1 1 37 37 ASP CB C 37 39.654 41.393 -1.739 17414 4501 1 10 . 1 1 38 38 GLY N N 38 107.649 107.763 -0.114 17414 4502 1 10 . 1 1 38 38 GLY CA C 38 45.025 45.116 -0.091 17414 4503 1 10 . 1 1 39 39 THR N N 39 110.428 113.070 -2.642 17414 4504 1 10 . 1 1 39 39 THR HA H 39 4.265 4.389 -0.124 17414 4505 1 10 . 1 1 39 39 THR CA C 39 60.883 62.098 -1.215 17414 4506 1 10 . 1 1 39 39 THR CB C 39 70.144 70.664 -0.520 17414 4507 1 10 . 1 1 40 40 LEU N N 40 120.829 124.666 -3.837 17414 4508 1 10 . 1 1 40 40 LEU HA H 40 5.312 5.545 -0.233 17414 4509 1 10 . 1 1 40 40 LEU CA C 40 53.146 54.065 -0.919 17414 4510 1 10 . 1 1 40 40 LEU CB C 40 41.870 43.535 -1.665 17414 4511 1 10 . 1 1 41 41 HIS N N 41 120.175 124.189 -4.014 17414 4512 1 10 . 1 1 41 41 HIS HA H 41 4.622 5.193 -0.571 17414 4513 1 10 . 1 1 41 41 HIS CA C 41 54.675 55.519 -0.844 17414 4514 1 10 . 1 1 41 41 HIS CB C 41 35.374 33.713 1.661 17414 4515 1 10 . 1 1 42 42 ALA N N 42 125.084 127.116 -2.032 17414 4516 1 10 . 1 1 42 42 ALA HA H 42 5.530 4.411 1.119 17414 4517 1 10 . 1 1 42 42 ALA CA C 42 50.934 51.972 -1.038 17414 4518 1 10 . 1 1 42 42 ALA CB C 42 18.920 19.392 -0.472 17414 4519 1 10 . 1 1 43 43 ARG N N 43 124.440 121.364 3.076 17414 4520 1 10 . 1 1 43 43 ARG HA H 43 5.177 4.905 0.272 17414 4521 1 10 . 1 1 43 43 ARG CA C 43 50.736 52.792 -2.056 17414 4522 1 10 . 1 1 43 43 ARG CB C 43 35.105 33.196 1.909 17414 4523 1 10 . 1 1 44 44 PRO HA H 44 4.506 4.347 0.159 17414 4524 1 10 . 1 1 44 44 PRO CA C 44 61.661 62.227 -0.566 17414 4525 1 10 . 1 1 44 44 PRO CB C 44 32.437 32.272 0.165 17414 4526 1 10 . 1 1 45 45 VAL N N 45 119.113 120.370 -1.257 17414 4527 1 10 . 1 1 45 45 VAL HA H 45 4.195 4.318 -0.123 17414 4528 1 10 . 1 1 45 45 VAL CA C 45 61.770 61.588 0.182 17414 4529 1 10 . 1 1 45 45 VAL CB C 45 32.099 33.206 -1.107 17414 4530 1 10 . 1 1 46 46 VAL N N 46 114.811 119.522 -4.711 17414 4531 1 10 . 1 1 46 46 VAL HA H 46 4.117 4.311 -0.194 17414 4532 1 10 . 1 1 46 46 VAL CA C 46 59.689 60.898 -1.209 17414 4533 1 10 . 1 1 46 46 VAL CB C 46 33.207 33.319 -0.112 17414 4534 1 10 . 1 1 47 47 SER N N 47 113.271 112.791 0.480 17414 4535 1 10 . 1 1 47 47 SER HA H 47 3.992 4.191 -0.199 17414 4536 1 10 . 1 1 47 47 SER CA C 47 56.916 56.295 0.621 17414 4537 1 10 . 1 1 47 47 SER CB C 47 65.285 65.598 -0.313 17414 4538 1 10 . 1 1 48 48 TRP N N 48 120.998 122.146 -1.148 17414 4539 1 10 . 1 1 48 48 TRP HA H 48 4.518 5.110 -0.592 17414 4540 1 10 . 1 1 48 48 TRP CA C 48 58.275 56.073 2.202 17414 4541 1 10 . 1 1 48 48 TRP CB C 48 32.474 33.248 -0.774 17414 4542 1 10 . 1 1 49 49 PHE N N 49 120.098 121.142 -1.044 17414 4543 1 10 . 1 1 49 49 PHE HA H 49 5.159 5.160 -0.001 17414 4544 1 10 . 1 1 49 49 PHE CA C 49 55.741 56.224 -0.483 17414 4545 1 10 . 1 1 49 49 PHE CB C 49 40.992 43.467 -2.475 17414 4546 1 10 . 1 1 50 50 ASP N N 50 127.259 123.452 3.807 17414 4547 1 10 . 1 1 50 50 ASP HA H 50 4.829 5.282 -0.453 17414 4548 1 10 . 1 1 50 50 ASP CA C 50 53.464 52.542 0.922 17414 4549 1 10 . 1 1 50 50 ASP CB C 50 40.713 43.827 -3.114 17414 4550 1 10 . 1 1 51 51 GLN N N 51 123.758 123.195 0.563 17414 4551 1 10 . 1 1 51 51 GLN HA H 51 4.902 4.337 0.565 17414 4552 1 10 . 1 1 51 51 GLN CA C 51 55.613 55.934 -0.321 17414 4553 1 10 . 1 1 52 52 GLY N N 52 108.682 105.816 2.866 17414 4554 1 10 . 1 1 52 52 GLY CA C 52 44.063 45.977 -1.914 17414 4555 1 10 . 1 1 53 53 THR N N 53 118.925 116.589 2.336 17414 4556 1 10 . 1 1 53 53 THR HA H 53 4.734 5.143 -0.409 17414 4557 1 10 . 1 1 53 53 THR CA C 53 62.734 62.452 0.282 17414 4558 1 10 . 1 1 53 53 THR CB C 53 67.881 70.115 -2.234 17414 4559 1 10 . 1 1 54 54 ARG N N 54 125.981 123.882 2.099 17414 4560 1 10 . 1 1 54 54 ARG HA H 54 4.677 4.923 -0.246 17414 4561 1 10 . 1 1 54 54 ARG CA C 54 53.580 54.055 -0.475 17414 4562 1 10 . 1 1 54 54 ARG CB C 54 35.619 34.413 1.206 17414 4563 1 10 . 1 1 55 55 ASP N N 55 119.621 121.012 -1.391 17414 4564 1 10 . 1 1 55 55 ASP HA H 55 4.973 5.243 -0.270 17414 4565 1 10 . 1 1 55 55 ASP CA C 55 54.236 54.672 -0.436 17414 4566 1 10 . 1 1 55 55 ASP CB C 55 40.704 40.991 -0.287 17414 4567 1 10 . 1 1 56 56 VAL N N 56 114.565 118.778 -4.213 17414 4568 1 10 . 1 1 56 56 VAL HA H 56 4.804 4.953 -0.149 17414 4569 1 10 . 1 1 56 56 VAL CA C 56 58.672 59.189 -0.517 17414 4570 1 10 . 1 1 56 56 VAL CB C 56 34.813 35.935 -1.122 17414 4571 1 10 . 1 1 57 57 ILE N N 57 114.855 121.923 -7.068 17414 4572 1 10 . 1 1 57 57 ILE HA H 57 4.740 5.001 -0.261 17414 4573 1 10 . 1 1 57 57 ILE CA C 57 58.799 59.465 -0.666 17414 4574 1 10 . 1 1 57 57 ILE CB C 57 41.197 40.056 1.141 17414 4575 1 10 . 1 1 58 58 GLY N N 58 107.378 109.461 -2.083 17414 4576 1 10 . 1 1 58 58 GLY CA C 58 43.036 43.711 -0.675 17414 4577 1 10 . 1 1 59 59 LEU N N 59 124.061 126.109 -2.048 17414 4578 1 10 . 1 1 59 59 LEU HA H 59 4.677 4.743 -0.066 17414 4579 1 10 . 1 1 59 59 LEU CA C 59 52.282 53.643 -1.361 17414 4580 1 10 . 1 1 59 59 LEU CB C 59 42.668 42.664 0.004 17414 4581 1 10 . 1 1 60 60 ARG N N 60 124.178 125.252 -1.074 17414 4582 1 10 . 1 1 60 60 ARG HA H 60 4.799 4.579 0.220 17414 4583 1 10 . 1 1 61 61 ILE N N 61 128.222 127.732 0.490 17414 4584 1 10 . 1 1 61 61 ILE HA H 61 4.492 4.402 0.090 17414 4585 1 10 . 1 1 61 61 ILE CA C 61 58.741 60.022 -1.281 17414 4586 1 10 . 1 1 61 61 ILE CB C 61 37.622 38.434 -0.812 17414 4587 1 10 . 1 1 62 62 ALA N N 62 128.005 131.883 -3.878 17414 4588 1 10 . 1 1 62 62 ALA HA H 62 4.108 4.001 0.107 17414 4589 1 10 . 1 1 62 62 ALA CA C 62 54.129 53.315 0.814 17414 4590 1 10 . 1 1 62 62 ALA CB C 62 18.002 17.935 0.067 17414 4591 1 10 . 1 1 63 63 GLY CA C 63 44.912 45.441 -0.529 17414 4592 1 10 . 1 1 64 64 GLY N N 64 107.906 108.432 -0.526 17414 4593 1 10 . 1 1 64 64 GLY CA C 64 44.751 46.729 -1.978 17414 4594 1 10 . 1 1 65 65 ALA N N 65 125.759 122.815 2.944 17414 4595 1 10 . 1 1 65 65 ALA HA H 65 4.394 4.632 -0.238 17414 4596 1 10 . 1 1 65 65 ALA CA C 65 51.764 51.403 0.361 17414 4597 1 10 . 1 1 65 65 ALA CB C 65 19.458 21.634 -2.176 17414 4598 1 10 . 1 1 66 66 ILE N N 66 118.136 119.397 -1.261 17414 4599 1 10 . 1 1 66 66 ILE HA H 66 4.705 4.945 -0.240 17414 4600 1 10 . 1 1 66 66 ILE CA C 66 59.670 59.090 0.580 17414 4601 1 10 . 1 1 66 66 ILE CB C 66 40.415 41.809 -1.394 17414 4602 1 10 . 1 1 67 67 LEU N N 67 127.715 128.457 -0.742 17414 4603 1 10 . 1 1 67 67 LEU HA H 67 4.728 5.056 -0.328 17414 4604 1 10 . 1 1 67 67 LEU CA C 67 53.331 53.124 0.207 17414 4605 1 10 . 1 1 67 67 LEU CB C 67 44.102 45.380 -1.278 17414 4606 1 10 . 1 1 68 68 TRP N N 68 129.332 128.382 0.950 17414 4607 1 10 . 1 1 68 68 TRP HA H 68 5.672 5.511 0.161 17414 4608 1 10 . 1 1 68 68 TRP CA C 68 54.812 55.841 -1.029 17414 4609 1 10 . 1 1 68 68 TRP CB C 68 29.742 31.192 -1.450 17414 4610 1 10 . 1 1 69 69 ALA N N 69 124.233 124.363 -0.130 17414 4611 1 10 . 1 1 69 69 ALA HA H 69 5.243 4.944 0.299 17414 4612 1 10 . 1 1 69 69 ALA CA C 69 49.203 51.125 -1.922 17414 4613 1 10 . 1 1 69 69 ALA CB C 69 22.138 23.619 -1.481 17414 4614 1 10 . 1 1 70 70 THR N N 70 111.459 110.967 0.492 17414 4615 1 10 . 1 1 70 70 THR HA H 70 5.152 4.896 0.256 17414 4616 1 10 . 1 1 70 70 THR CA C 70 60.495 60.329 0.166 17414 4617 1 10 . 1 1 70 70 THR CB C 70 67.570 68.981 -1.411 17414 4618 1 10 . 1 1 71 71 PRO HA H 71 4.165 4.555 -0.390 17414 4619 1 10 . 1 1 71 71 PRO CA C 71 64.390 64.945 -0.555 17414 4620 1 10 . 1 1 72 72 ASP N N 72 112.234 117.307 -5.073 17414 4621 1 10 . 1 1 72 72 ASP HA H 72 4.505 4.693 -0.188 17414 4622 1 10 . 1 1 72 72 ASP CA C 72 52.827 54.762 -1.935 17414 4623 1 10 . 1 1 73 73 HIS N N 73 125.389 120.795 4.594 17414 4624 1 10 . 1 1 73 73 HIS HA H 73 3.796 4.535 -0.739 17414 4625 1 10 . 1 1 73 73 HIS CA C 73 58.310 57.075 1.235 17414 4626 1 10 . 1 1 73 73 HIS CB C 73 32.385 30.556 1.829 17414 4627 1 10 . 1 1 74 74 LYS N N 74 127.412 125.830 1.582 17414 4628 1 10 . 1 1 74 74 LYS HA H 74 4.661 4.706 -0.045 17414 4629 1 10 . 1 1 74 74 LYS CA C 74 56.845 55.955 0.890 17414 4630 1 10 . 1 1 75 75 VAL N N 75 125.726 124.625 1.101 17414 4631 1 10 . 1 1 75 75 VAL HA H 75 4.754 4.882 -0.128 17414 4632 1 10 . 1 1 75 75 VAL CA C 75 60.739 61.318 -0.579 17414 4633 1 10 . 1 1 75 75 VAL CB C 75 35.276 34.347 0.929 17414 4634 1 10 . 1 1 76 76 LEU N N 76 129.759 129.945 -0.186 17414 4635 1 10 . 1 1 76 76 LEU HA H 76 3.514 4.220 -0.706 17414 4636 1 10 . 1 1 76 76 LEU CA C 76 55.222 54.299 0.923 17414 4637 1 10 . 1 1 76 76 LEU CB C 76 39.052 42.002 -2.950 17414 4638 1 10 . 1 1 77 77 THR N N 77 116.138 117.105 -0.967 17414 4639 1 10 . 1 1 77 77 THR HA H 77 5.295 4.833 0.462 17414 4640 1 10 . 1 1 77 77 THR CA C 77 59.543 60.168 -0.625 17414 4641 1 10 . 1 1 78 78 GLU N N 78 119.986 119.581 0.405 17414 4642 1 10 . 1 1 78 78 GLU HA H 78 3.558 3.914 -0.356 17414 4643 1 10 . 1 1 78 78 GLU CA C 78 57.551 58.179 -0.628 17414 4644 1 10 . 1 1 78 78 GLU CB C 78 28.385 28.510 -0.125 17414 4645 1 10 . 1 1 79 79 TYR N N 79 117.251 118.344 -1.093 17414 4646 1 10 . 1 1 79 79 TYR HA H 79 4.749 4.552 0.197 17414 4647 1 10 . 1 1 79 79 TYR CA C 79 55.553 58.093 -2.540 17414 4648 1 10 . 1 1 79 79 TYR CB C 79 37.935 39.004 -1.069 17414 4649 1 10 . 1 1 80 80 GLY N N 80 106.884 107.334 -0.450 17414 4650 1 10 . 1 1 80 80 GLY CA C 80 42.757 44.344 -1.587 17414 4651 1 10 . 1 1 81 81 TRP N N 81 125.593 123.025 2.568 17414 4652 1 10 . 1 1 81 81 TRP HA H 81 4.884 5.168 -0.284 17414 4653 1 10 . 1 1 81 81 TRP CA C 81 57.790 57.306 0.484 17414 4654 1 10 . 1 1 81 81 TRP CB C 81 29.255 30.714 -1.459 17414 4655 1 10 . 1 1 82 82 ARG N N 82 124.625 122.356 2.269 17414 4656 1 10 . 1 1 82 82 ARG HA H 82 4.773 5.018 -0.245 17414 4657 1 10 . 1 1 82 82 ARG CA C 82 53.895 54.049 -0.154 17414 4658 1 10 . 1 1 83 83 ALA N N 83 125.891 127.059 -1.168 17414 4659 1 10 . 1 1 83 83 ALA HA H 83 4.293 4.463 -0.170 17414 4660 1 10 . 1 1 83 83 ALA CA C 83 51.686 52.554 -0.868 17414 4661 1 10 . 1 1 84 84 ALA N N 84 125.790 125.961 -0.171 17414 4662 1 10 . 1 1 84 84 ALA HA H 84 3.930 4.059 -0.129 17414 4663 1 10 . 1 1 84 84 ALA CB C 84 17.269 18.583 -1.314 17414 4664 1 10 . 1 1 85 85 GLY N N 85 102.306 105.610 -3.304 17414 4665 1 10 . 1 1 86 86 GLU N N 86 117.564 118.338 -0.774 17414 4666 1 10 . 1 1 86 86 GLU HA H 86 4.414 4.505 -0.091 17414 4667 1 10 . 1 1 86 86 GLU CA C 86 55.233 55.512 -0.279 17414 4668 1 10 . 1 1 86 86 GLU CB C 86 30.231 29.758 0.473 17414 4669 1 10 . 1 1 87 87 LEU N N 87 119.746 122.532 -2.786 17414 4670 1 10 . 1 1 87 87 LEU HA H 87 4.417 4.934 -0.517 17414 4671 1 10 . 1 1 87 87 LEU CA C 87 54.274 53.280 0.994 17414 4672 1 10 . 1 1 87 87 LEU CB C 87 41.471 43.597 -2.126 17414 4673 1 10 . 1 1 88 88 ARG N N 88 120.899 123.810 -2.911 17414 4674 1 10 . 1 1 88 88 ARG HA H 88 4.627 4.906 -0.279 17414 4675 1 10 . 1 1 88 88 ARG CA C 88 52.594 53.855 -1.261 17414 4676 1 10 . 1 1 89 89 LYS N N 89 119.795 122.257 -2.462 17414 4677 1 10 . 1 1 89 89 LYS HA H 89 3.669 3.850 -0.181 17414 4678 1 10 . 1 1 89 89 LYS CA C 89 57.770 58.228 -0.458 17414 4679 1 10 . 1 1 90 90 GLY N N 90 115.070 112.609 2.461 17414 4680 1 10 . 1 1 90 90 GLY CA C 90 44.499 45.389 -0.890 17414 4681 1 10 . 1 1 91 91 ASP N N 91 121.652 121.335 0.317 17414 4682 1 10 . 1 1 91 91 ASP HA H 91 4.716 4.802 -0.086 17414 4683 1 10 . 1 1 91 91 ASP CA C 91 55.866 53.947 1.919 17414 4684 1 10 . 1 1 92 92 ARG N N 92 117.826 123.387 -5.561 17414 4685 1 10 . 1 1 92 92 ARG HA H 92 5.241 4.937 0.304 17414 4686 1 10 . 1 1 92 92 ARG CA C 92 54.976 55.899 -0.923 17414 4687 1 10 . 1 1 92 92 ARG CB C 92 31.655 31.619 0.036 17414 4688 1 10 . 1 1 93 93 VAL N N 93 115.034 118.266 -3.232 17414 4689 1 10 . 1 1 93 93 VAL HA H 93 4.839 4.948 -0.109 17414 4690 1 10 . 1 1 93 93 VAL CA C 93 58.222 59.547 -1.325 17414 4691 1 10 . 1 1 94 94 ALA N N 94 126.192 124.888 1.304 17414 4692 1 10 . 1 1 94 94 ALA HA H 94 4.271 3.843 0.428 17414 4693 1 10 . 1 1 94 94 ALA CA C 94 50.975 51.546 -0.571 17414 4694 1 10 . 1 1 94 94 ALA CB C 94 18.748 18.843 -0.095 17414 4695 1 10 . 1 1 95 95 VAL N N 95 115.179 116.352 -1.173 17414 4696 1 10 . 1 1 95 95 VAL HA H 95 5.317 4.955 0.362 17414 4697 1 10 . 1 1 95 95 VAL CA C 95 57.154 58.826 -1.672 17414 4698 1 10 . 1 1 95 95 VAL CB C 95 35.186 35.962 -0.776 17414 4699 1 10 . 1 1 96 96 ARG N N 96 119.288 122.220 -2.932 17414 4700 1 10 . 1 1 96 96 ARG HA H 96 4.230 4.934 -0.704 17414 4701 1 10 . 1 1 96 96 ARG CA C 96 53.613 54.286 -0.673 17414 4702 1 10 . 1 1 96 96 ARG CB C 96 31.697 33.264 -1.567 17414 4703 1 10 . 1 1 97 97 ASP N N 97 131.180 125.818 5.362 17414 4704 1 10 . 1 1 97 97 ASP HA H 97 4.415 4.815 -0.400 17414 4705 1 10 . 1 1 97 97 ASP CA C 97 53.887 52.976 0.911 17414 4706 1 10 . 1 1 97 97 ASP CB C 97 42.723 42.203 0.520 17414 4707 1 10 . 1 1 98 98 VAL N N 98 126.152 126.367 -0.215 17414 4708 1 10 . 1 1 98 98 VAL HA H 98 3.489 3.903 -0.414 17414 4709 1 10 . 1 1 98 98 VAL CA C 98 64.431 64.146 0.285 17414 4710 1 10 . 1 1 98 98 VAL CB C 98 31.047 31.855 -0.808 17414 4711 1 10 . 1 1 99 99 GLU N N 99 118.883 121.629 -2.746 17414 4712 1 10 . 1 1 99 99 GLU HA H 99 4.127 4.100 0.027 17414 4713 1 10 . 1 1 99 99 GLU CA C 99 58.178 59.172 -0.994 17414 4714 1 10 . 1 1 99 99 GLU CB C 99 29.591 29.691 -0.100 17414 4715 1 10 . 1 1 100 100 THR N N 100 106.301 109.264 -2.963 17414 4716 1 10 . 1 1 100 100 THR HA H 100 4.316 4.410 -0.094 17414 4717 1 10 . 1 1 100 100 THR CA C 100 61.407 62.166 -0.759 17414 4718 1 10 . 1 1 100 100 THR CB C 100 70.856 70.569 0.287 17414 4719 1 10 . 1 1 101 101 GLY N N 101 111.204 111.922 -0.718 17414 4720 1 10 . 1 1 101 101 GLY CA C 101 45.284 45.584 -0.300 17414 4721 1 10 . 1 1 102 102 GLU N N 102 118.458 120.614 -2.156 17414 4722 1 10 . 1 1 102 102 GLU HA H 102 4.301 4.480 -0.179 17414 4723 1 10 . 1 1 102 102 GLU CA C 102 55.160 55.981 -0.821 17414 4724 1 10 . 1 1 102 102 GLU CB C 102 31.769 31.039 0.730 17414 4725 1 10 . 1 1 103 103 LEU N N 103 121.701 124.352 -2.651 17414 4726 1 10 . 1 1 103 103 LEU HA H 103 4.716 4.513 0.203 17414 4727 1 10 . 1 1 103 103 LEU CA C 103 54.930 55.316 -0.386 17414 4728 1 10 . 1 1 103 103 LEU CB C 103 42.346 42.619 -0.273 17414 4729 1 10 . 1 1 104 104 ARG N N 104 127.157 126.595 0.562 17414 4730 1 10 . 1 1 104 104 ARG HA H 104 4.403 5.032 -0.629 17414 4731 1 10 . 1 1 104 104 ARG CA C 104 53.201 54.058 -0.857 17414 4732 1 10 . 1 1 104 104 ARG CB C 104 32.989 34.513 -1.524 17414 4733 1 10 . 1 1 105 105 TYR N N 105 116.202 118.937 -2.735 17414 4734 1 10 . 1 1 105 105 TYR HA H 105 5.490 5.587 -0.097 17414 4735 1 10 . 1 1 105 105 TYR CA C 105 56.831 56.502 0.329 17414 4736 1 10 . 1 1 105 105 TYR CB C 105 40.116 41.921 -1.805 17414 4737 1 10 . 1 1 106 106 SER N N 106 118.250 115.769 2.481 17414 4738 1 10 . 1 1 106 106 SER HA H 106 4.807 5.167 -0.360 17414 4739 1 10 . 1 1 106 106 SER CA C 106 55.888 57.435 -1.547 17414 4740 1 10 . 1 1 106 106 SER CB C 106 66.301 66.858 -0.557 17414 4741 1 10 . 1 1 107 107 VAL N N 107 122.160 122.370 -0.210 17414 4742 1 10 . 1 1 107 107 VAL HA H 107 4.423 4.580 -0.157 17414 4743 1 10 . 1 1 107 107 VAL CA C 107 61.369 61.508 -0.139 17414 4744 1 10 . 1 1 107 107 VAL CB C 107 33.633 32.744 0.889 17414 4745 1 10 . 1 1 108 108 ILE N N 108 123.427 125.877 -2.450 17414 4746 1 10 . 1 1 108 108 ILE HA H 108 4.100 4.180 -0.080 17414 4747 1 10 . 1 1 108 108 ILE CA C 108 61.321 61.327 -0.006 17414 4748 1 10 . 1 1 108 108 ILE CB C 108 37.408 38.173 -0.765 17414 4749 1 10 . 1 1 109 109 ARG N N 109 130.207 128.347 1.860 17414 4750 1 10 . 1 1 109 109 ARG HA H 109 4.254 4.356 -0.102 17414 4751 1 10 . 1 1 109 109 ARG CA C 109 55.904 57.256 -1.352 17414 4752 1 10 . 1 1 110 110 GLU N N 110 116.804 117.726 -0.922 17414 4753 1 10 . 1 1 110 110 GLU HA H 110 4.274 4.664 -0.390 17414 4754 1 10 . 1 1 110 110 GLU CA C 110 55.889 56.157 -0.268 17414 4755 1 10 . 1 1 110 110 GLU CB C 110 33.186 33.490 -0.304 17414 4756 1 10 . 1 1 111 111 VAL N N 111 125.709 127.394 -1.685 17414 4757 1 10 . 1 1 111 111 VAL HA H 111 4.709 4.506 0.203 17414 4758 1 10 . 1 1 111 111 VAL CA C 111 60.903 61.735 -0.832 17414 4759 1 10 . 1 1 111 111 VAL CB C 111 31.927 32.986 -1.059 17414 4760 1 10 . 1 1 112 112 LEU N N 112 132.638 128.677 3.961 17414 4761 1 10 . 1 1 112 112 LEU HA H 112 4.741 4.810 -0.069 17414 4762 1 10 . 1 1 112 112 LEU CA C 112 52.655 51.087 1.568 17414 4763 1 10 . 1 1 112 112 LEU CB C 112 40.998 42.605 -1.607 17414 4764 1 10 . 1 1 113 113 PRO HA H 113 4.532 4.563 -0.031 17414 4765 1 10 . 1 1 113 113 PRO CA C 113 61.916 62.600 -0.684 17414 4766 1 10 . 1 1 113 113 PRO CB C 113 32.608 32.312 0.296 17414 4767 1 10 . 1 1 114 114 THR N N 114 112.542 113.162 -0.620 17414 4768 1 10 . 1 1 114 114 THR HA H 114 4.973 4.785 0.188 17414 4769 1 10 . 1 1 114 114 THR CA C 114 61.865 61.226 0.639 17414 4770 1 10 . 1 1 114 114 THR CB C 114 69.345 70.345 -1.000 17414 4771 1 10 . 1 1 115 115 ARG N N 115 123.213 119.767 3.446 17414 4772 1 10 . 1 1 115 115 ARG HA H 115 4.694 4.922 -0.228 17414 4773 1 10 . 1 1 115 115 ARG CA C 115 54.302 54.747 -0.445 17414 4774 1 10 . 1 1 115 115 ARG CB C 115 32.684 32.452 0.232 17414 4775 1 10 . 1 1 116 116 ARG N N 116 119.004 119.765 -0.761 17414 4776 1 10 . 1 1 116 116 ARG HA H 116 4.879 5.057 -0.178 17414 4777 1 10 . 1 1 116 116 ARG CA C 116 54.554 54.880 -0.326 17414 4778 1 10 . 1 1 116 116 ARG CB C 116 30.285 34.080 -3.795 17414 4779 1 10 . 1 1 117 117 ALA N N 117 124.834 122.308 2.526 17414 4780 1 10 . 1 1 117 117 ALA HA H 117 4.599 4.759 -0.160 17414 4781 1 10 . 1 1 117 117 ALA CA C 117 50.434 50.963 -0.529 17414 4782 1 10 . 1 1 117 117 ALA CB C 117 23.139 22.917 0.222 17414 4783 1 10 . 1 1 118 118 ARG N N 118 120.885 119.414 1.471 17414 4784 1 10 . 1 1 118 118 ARG HA H 118 3.925 4.893 -0.968 17414 4785 1 10 . 1 1 118 118 ARG CA C 118 57.559 56.877 0.682 17414 4786 1 10 . 1 1 118 118 ARG CB C 118 30.409 31.135 -0.726 17414 4787 1 10 . 1 1 119 119 THR N N 119 111.492 113.363 -1.871 17414 4788 1 10 . 1 1 119 119 THR HA H 119 5.309 5.722 -0.413 17414 4789 1 10 . 1 1 119 119 THR CA C 119 60.071 59.769 0.302 17414 4790 1 10 . 1 1 119 119 THR CB C 119 72.737 71.825 0.912 17414 4791 1 10 . 1 1 120 120 PHE N N 120 113.949 120.038 -6.089 17414 4792 1 10 . 1 1 120 120 PHE HA H 120 5.311 5.312 -0.001 17414 4793 1 10 . 1 1 120 120 PHE CA C 120 57.898 56.184 1.714 17414 4794 1 10 . 1 1 120 120 PHE CB C 120 46.203 43.688 2.515 17414 4795 1 10 . 1 1 121 121 ASP N N 121 118.841 119.047 -0.206 17414 4796 1 10 . 1 1 121 121 ASP HA H 121 5.352 5.440 -0.088 17414 4797 1 10 . 1 1 121 121 ASP CA C 121 55.227 53.609 1.618 17414 4798 1 10 . 1 1 121 121 ASP CB C 121 47.673 45.206 2.467 17414 4799 1 10 . 1 1 122 122 LEU N N 122 118.637 121.197 -2.560 17414 4800 1 10 . 1 1 122 122 LEU HA H 122 4.809 5.099 -0.290 17414 4801 1 10 . 1 1 122 122 LEU CB C 122 45.915 46.900 -0.985 17414 4802 1 10 . 1 1 123 123 GLU N N 123 118.694 122.219 -3.525 17414 4803 1 10 . 1 1 123 123 GLU HA H 123 4.515 4.763 -0.248 17414 4804 1 10 . 1 1 123 123 GLU CA C 123 54.697 55.283 -0.586 17414 4805 1 10 . 1 1 124 124 VAL N N 124 129.259 126.820 2.439 17414 4806 1 10 . 1 1 124 124 VAL HA H 124 4.065 4.249 -0.184 17414 4807 1 10 . 1 1 124 124 VAL CA C 124 61.193 62.148 -0.955 17414 4808 1 10 . 1 1 124 124 VAL CB C 124 33.607 32.302 1.305 17414 4809 1 10 . 1 1 125 125 GLU N N 125 128.432 126.684 1.748 17414 4810 1 10 . 1 1 125 125 GLU HA H 125 3.672 4.016 -0.344 17414 4811 1 10 . 1 1 125 125 GLU CA C 125 58.494 57.423 1.071 17414 4812 1 10 . 1 1 125 125 GLU CB C 125 30.552 29.845 0.707 17414 4813 1 10 . 1 1 126 126 GLU N N 126 120.993 123.491 -2.498 17414 4814 1 10 . 1 1 126 126 GLU HA H 126 3.570 4.163 -0.593 17414 4815 1 10 . 1 1 126 126 GLU CA C 126 61.229 58.930 2.299 17414 4816 1 10 . 1 1 126 126 GLU CB C 126 29.621 29.434 0.187 17414 4817 1 10 . 1 1 127 127 LEU N N 127 120.945 120.101 0.844 17414 4818 1 10 . 1 1 127 127 LEU HA H 127 4.205 4.406 -0.201 17414 4819 1 10 . 1 1 127 127 LEU CA C 127 55.681 54.053 1.628 17414 4820 1 10 . 1 1 128 128 HIS HA H 128 4.584 4.748 -0.164 17414 4821 1 10 . 1 1 128 128 HIS CA C 128 54.566 56.696 -2.130 17414 4822 1 10 . 1 1 128 128 HIS CB C 128 26.062 29.725 -3.663 17414 4823 1 10 . 1 1 129 129 THR N N 129 105.639 114.857 -9.218 17414 4824 1 10 . 1 1 129 129 THR HA H 129 4.899 5.010 -0.111 17414 4825 1 10 . 1 1 129 129 THR CA C 129 58.380 61.322 -2.942 17414 4826 1 10 . 1 1 129 129 THR CB C 129 72.980 71.142 1.838 17414 4827 1 10 . 1 1 130 130 LEU N N 130 111.598 120.132 -8.534 17414 4828 1 10 . 1 1 130 130 LEU HA H 130 5.537 5.258 0.279 17414 4829 1 10 . 1 1 130 130 LEU CA C 130 54.683 53.874 0.809 17414 4830 1 10 . 1 1 130 130 LEU CB C 130 44.277 45.435 -1.158 17414 4831 1 10 . 1 1 131 131 VAL N N 131 119.670 120.989 -1.319 17414 4832 1 10 . 1 1 131 131 VAL HA H 131 4.830 4.729 0.101 17414 4833 1 10 . 1 1 131 131 VAL CA C 131 61.285 60.753 0.532 17414 4834 1 10 . 1 1 131 131 VAL CB C 131 30.272 33.264 -2.992 17414 4835 1 10 . 1 1 132 132 ALA N N 132 134.824 129.541 5.283 17414 4836 1 10 . 1 1 132 132 ALA HA H 132 4.931 4.845 0.086 17414 4837 1 10 . 1 1 132 132 ALA CA C 132 49.999 50.650 -0.651 17414 4838 1 10 . 1 1 132 132 ALA CB C 132 21.422 21.480 -0.058 17414 4839 1 10 . 1 1 133 133 GLU N N 133 118.979 124.900 -5.921 17414 4840 1 10 . 1 1 133 133 GLU HA H 133 3.826 4.049 -0.223 17414 4841 1 10 . 1 1 133 133 GLU CA C 133 57.065 57.719 -0.654 17414 4842 1 10 . 1 1 133 133 GLU CB C 133 26.406 28.299 -1.893 17414 4843 1 10 . 1 1 134 134 GLY N N 134 100.017 104.324 -4.307 17414 4844 1 10 . 1 1 134 134 GLY CA C 134 45.352 45.434 -0.082 17414 4845 1 10 . 1 1 135 135 VAL N N 135 122.381 121.421 0.960 17414 4846 1 10 . 1 1 135 135 VAL HA H 135 4.560 4.110 0.450 17414 4847 1 10 . 1 1 135 135 VAL CA C 135 60.885 62.173 -1.288 17414 4848 1 10 . 1 1 135 135 VAL CB C 135 32.542 32.756 -0.214 17414 4849 1 10 . 1 1 136 136 VAL N N 136 126.302 126.440 -0.138 17414 4850 1 10 . 1 1 136 136 VAL HA H 136 4.254 4.684 -0.430 17414 4851 1 10 . 1 1 136 136 VAL CA C 136 63.608 61.620 1.988 17414 4852 1 10 . 1 1 136 136 VAL CB C 136 30.519 32.802 -2.283 17414 4853 1 10 . 1 1 137 137 VAL N N 137 118.757 120.591 -1.834 17414 4854 1 10 . 1 1 137 137 VAL HA H 137 5.743 5.213 0.530 17414 4855 1 10 . 1 1 137 137 VAL CA C 137 58.252 59.820 -1.568 17414 4856 1 10 . 1 1 137 137 VAL CB C 137 36.378 35.984 0.394 17414 4857 1 10 . 1 1 138 138 HIS N N 138 120.902 123.834 -2.932 17414 4858 1 10 . 1 1 138 138 HIS HA H 138 4.434 4.293 0.141 17414 4859 1 10 . 1 1 138 138 HIS CA C 138 56.439 57.346 -0.907 17414 4860 1 10 . 1 1 138 138 HIS CB C 138 30.583 29.938 0.645 17414 4861 1 11 . 1 1 2 2 LEU N N 2 122.945 121.383 1.562 17414 4862 1 11 . 1 1 2 2 LEU HA H 2 5.005 5.048 -0.043 17414 4863 1 11 . 1 1 2 2 LEU CA C 2 53.355 53.359 -0.004 17414 4864 1 11 . 1 1 2 2 LEU CB C 2 43.858 44.880 -1.022 17414 4865 1 11 . 1 1 3 3 ALA N N 3 121.232 127.362 -6.130 17414 4866 1 11 . 1 1 3 3 ALA HA H 3 4.730 4.518 0.212 17414 4867 1 11 . 1 1 3 3 ALA CA C 3 52.302 51.437 0.865 17414 4868 1 11 . 1 1 3 3 ALA CB C 3 21.769 19.885 1.884 17414 4869 1 11 . 1 1 4 4 GLU N N 4 121.283 121.868 -0.585 17414 4870 1 11 . 1 1 4 4 GLU HA H 4 4.074 4.037 0.037 17414 4871 1 11 . 1 1 4 4 GLU CA C 4 57.136 58.464 -1.328 17414 4872 1 11 . 1 1 4 4 GLU CB C 4 31.847 29.456 2.391 17414 4873 1 11 . 1 1 5 5 GLY N N 5 119.858 115.225 4.633 17414 4874 1 11 . 1 1 5 5 GLY CA C 5 44.157 45.171 -1.014 17414 4875 1 11 . 1 1 6 6 THR N N 6 117.099 116.680 0.419 17414 4876 1 11 . 1 1 6 6 THR HA H 6 4.301 4.241 0.060 17414 4877 1 11 . 1 1 6 6 THR CA C 6 65.228 63.846 1.382 17414 4878 1 11 . 1 1 6 6 THR CB C 6 68.654 69.131 -0.477 17414 4879 1 11 . 1 1 7 7 ARG N N 7 130.107 127.317 2.790 17414 4880 1 11 . 1 1 7 7 ARG HA H 7 4.878 4.722 0.156 17414 4881 1 11 . 1 1 7 7 ARG CA C 7 55.868 56.115 -0.247 17414 4882 1 11 . 1 1 8 8 ILE N N 8 123.872 122.199 1.673 17414 4883 1 11 . 1 1 8 8 ILE HA H 8 4.531 4.697 -0.166 17414 4884 1 11 . 1 1 8 8 ILE CA C 8 59.240 60.514 -1.274 17414 4885 1 11 . 1 1 8 8 ILE CB C 8 40.450 40.379 0.071 17414 4886 1 11 . 1 1 9 9 PHE N N 9 129.317 129.607 -0.290 17414 4887 1 11 . 1 1 9 9 PHE HA H 9 4.832 4.817 0.015 17414 4888 1 11 . 1 1 9 9 PHE CA C 9 56.960 57.743 -0.783 17414 4889 1 11 . 1 1 9 9 PHE CB C 9 40.542 39.792 0.750 17414 4890 1 11 . 1 1 10 10 ASP N N 10 128.073 128.357 -0.284 17414 4891 1 11 . 1 1 10 10 ASP HA H 10 5.529 5.003 0.526 17414 4892 1 11 . 1 1 10 10 ASP CA C 10 49.160 50.239 -1.079 17414 4893 1 11 . 1 1 10 10 ASP CB C 10 43.037 42.692 0.345 17414 4894 1 11 . 1 1 11 11 PRO HA H 11 3.974 4.427 -0.453 17414 4895 1 11 . 1 1 11 11 PRO CA C 11 62.348 64.807 -2.459 17414 4896 1 11 . 1 1 11 11 PRO CB C 11 30.977 32.171 -1.194 17414 4897 1 11 . 1 1 12 12 VAL N N 12 124.105 116.388 7.717 17414 4898 1 11 . 1 1 12 12 VAL HA H 12 3.591 3.644 -0.053 17414 4899 1 11 . 1 1 12 12 VAL CA C 12 64.849 65.672 -0.823 17414 4900 1 11 . 1 1 13 13 THR N N 13 107.133 109.412 -2.279 17414 4901 1 11 . 1 1 13 13 THR HA H 13 4.228 4.242 -0.014 17414 4902 1 11 . 1 1 13 13 THR CA C 13 60.944 62.853 -1.909 17414 4903 1 11 . 1 1 13 13 THR CB C 13 69.447 70.316 -0.869 17414 4904 1 11 . 1 1 14 14 GLY N N 14 112.897 111.730 1.167 17414 4905 1 11 . 1 1 14 14 GLY CA C 14 45.650 45.668 -0.018 17414 4906 1 11 . 1 1 15 15 THR N N 15 117.286 115.721 1.565 17414 4907 1 11 . 1 1 15 15 THR HA H 15 4.276 4.725 -0.449 17414 4908 1 11 . 1 1 15 15 THR CA C 15 61.382 61.074 0.308 17414 4909 1 11 . 1 1 15 15 THR CB C 15 70.037 71.421 -1.384 17414 4910 1 11 . 1 1 16 16 THR N N 16 120.518 119.142 1.376 17414 4911 1 11 . 1 1 16 16 THR HA H 16 4.911 4.555 0.356 17414 4912 1 11 . 1 1 16 16 THR CA C 16 62.321 62.813 -0.492 17414 4913 1 11 . 1 1 16 16 THR CB C 16 69.184 69.035 0.149 17414 4914 1 11 . 1 1 17 17 HIS N N 17 127.011 126.217 0.794 17414 4915 1 11 . 1 1 17 17 HIS HA H 17 4.586 5.090 -0.504 17414 4916 1 11 . 1 1 17 17 HIS CA C 17 54.406 54.599 -0.193 17414 4917 1 11 . 1 1 17 17 HIS CB C 17 35.299 32.304 2.995 17414 4918 1 11 . 1 1 18 18 ARG N N 18 120.890 123.957 -3.067 17414 4919 1 11 . 1 1 18 18 ARG HA H 18 4.679 4.593 0.086 17414 4920 1 11 . 1 1 18 18 ARG CA C 18 54.802 55.397 -0.595 17414 4921 1 11 . 1 1 18 18 ARG CB C 18 29.657 31.770 -2.113 17414 4922 1 11 . 1 1 19 19 ILE N N 19 125.005 128.231 -3.226 17414 4923 1 11 . 1 1 19 19 ILE HA H 19 3.696 3.924 -0.228 17414 4924 1 11 . 1 1 19 19 ILE CA C 19 66.021 64.182 1.839 17414 4925 1 11 . 1 1 19 19 ILE CB C 19 37.936 37.844 0.092 17414 4926 1 11 . 1 1 20 20 GLU N N 20 123.813 119.846 3.967 17414 4927 1 11 . 1 1 20 20 GLU HA H 20 2.787 3.890 -1.103 17414 4928 1 11 . 1 1 20 20 GLU CA C 20 57.675 59.044 -1.369 17414 4929 1 11 . 1 1 20 20 GLU CB C 20 28.945 29.153 -0.208 17414 4930 1 11 . 1 1 21 21 ASP N N 21 123.330 120.642 2.688 17414 4931 1 11 . 1 1 21 21 ASP HA H 21 4.489 4.342 0.147 17414 4932 1 11 . 1 1 21 21 ASP CA C 21 55.734 56.674 -0.940 17414 4933 1 11 . 1 1 21 21 ASP CB C 21 40.038 40.630 -0.592 17414 4934 1 11 . 1 1 22 22 VAL N N 22 121.407 119.863 1.544 17414 4935 1 11 . 1 1 22 22 VAL HA H 22 3.303 3.551 -0.248 17414 4936 1 11 . 1 1 22 22 VAL CA C 22 65.768 66.505 -0.737 17414 4937 1 11 . 1 1 22 22 VAL CB C 22 31.327 31.514 -0.187 17414 4938 1 11 . 1 1 23 23 VAL N N 23 116.800 120.506 -3.706 17414 4939 1 11 . 1 1 23 23 VAL HA H 23 3.928 3.607 0.321 17414 4940 1 11 . 1 1 23 23 VAL CA C 23 66.310 66.284 0.026 17414 4941 1 11 . 1 1 24 24 GLY N N 24 120.577 108.155 12.422 17414 4942 1 11 . 1 1 25 25 GLY N N 25 103.034 108.169 -5.135 17414 4943 1 11 . 1 1 25 25 GLY CA C 25 43.755 44.758 -1.003 17414 4944 1 11 . 1 1 26 26 ARG N N 26 122.306 116.415 5.891 17414 4945 1 11 . 1 1 26 26 ARG HA H 26 1.544 3.298 -1.754 17414 4946 1 11 . 1 1 26 26 ARG CA C 26 55.119 56.315 -1.196 17414 4947 1 11 . 1 1 26 26 ARG CB C 26 26.620 27.406 -0.786 17414 4948 1 11 . 1 1 27 27 LYS N N 27 115.887 119.714 -3.827 17414 4949 1 11 . 1 1 27 27 LYS HA H 27 4.168 4.556 -0.388 17414 4950 1 11 . 1 1 27 27 LYS CB C 27 33.503 32.677 0.826 17414 4951 1 11 . 1 1 28 28 PRO HA H 28 5.145 4.629 0.516 17414 4952 1 11 . 1 1 28 28 PRO CA C 28 61.507 63.812 -2.305 17414 4953 1 11 . 1 1 28 28 PRO CB C 28 27.787 31.522 -3.735 17414 4954 1 11 . 1 1 29 29 ILE N N 29 116.657 121.839 -5.182 17414 4955 1 11 . 1 1 29 29 ILE HA H 29 4.443 4.173 0.270 17414 4956 1 11 . 1 1 29 29 ILE CA C 29 60.723 61.745 -1.022 17414 4957 1 11 . 1 1 29 29 ILE CB C 29 38.563 38.766 -0.203 17414 4958 1 11 . 1 1 30 30 HIS N N 30 118.274 122.271 -3.997 17414 4959 1 11 . 1 1 30 30 HIS HA H 30 5.152 5.284 -0.132 17414 4960 1 11 . 1 1 30 30 HIS CA C 30 55.902 54.003 1.899 17414 4961 1 11 . 1 1 30 30 HIS CB C 30 30.925 34.356 -3.431 17414 4962 1 11 . 1 1 31 31 VAL N N 31 107.262 115.855 -8.593 17414 4963 1 11 . 1 1 31 31 VAL HA H 31 5.212 4.870 0.342 17414 4964 1 11 . 1 1 31 31 VAL CA C 31 57.692 59.250 -1.558 17414 4965 1 11 . 1 1 31 31 VAL CB C 31 34.153 36.370 -2.217 17414 4966 1 11 . 1 1 32 32 VAL N N 32 119.900 122.384 -2.484 17414 4967 1 11 . 1 1 32 32 VAL HA H 32 4.246 4.586 -0.340 17414 4968 1 11 . 1 1 32 32 VAL CA C 32 62.504 61.722 0.782 17414 4969 1 11 . 1 1 33 33 ALA N N 33 128.967 129.869 -0.902 17414 4970 1 11 . 1 1 33 33 ALA HA H 33 4.522 5.302 -0.780 17414 4971 1 11 . 1 1 33 33 ALA CA C 33 49.594 50.153 -0.559 17414 4972 1 11 . 1 1 33 33 ALA CB C 33 23.635 23.056 0.579 17414 4973 1 11 . 1 1 34 34 ALA N N 34 121.236 121.035 0.201 17414 4974 1 11 . 1 1 34 34 ALA HA H 34 5.207 5.418 -0.211 17414 4975 1 11 . 1 1 34 34 ALA CA C 34 49.704 50.656 -0.952 17414 4976 1 11 . 1 1 35 35 ALA N N 35 125.943 122.521 3.422 17414 4977 1 11 . 1 1 35 35 ALA HA H 35 4.633 4.708 -0.075 17414 4978 1 11 . 1 1 35 35 ALA CA C 35 50.168 50.011 0.157 17414 4979 1 11 . 1 1 35 35 ALA CB C 35 20.121 21.907 -1.786 17414 4980 1 11 . 1 1 36 36 LYS N N 36 121.159 118.081 3.078 17414 4981 1 11 . 1 1 36 36 LYS HA H 36 4.272 4.101 0.171 17414 4982 1 11 . 1 1 36 36 LYS CA C 36 58.723 58.546 0.177 17414 4983 1 11 . 1 1 37 37 ASP N N 37 115.815 117.371 -1.556 17414 4984 1 11 . 1 1 37 37 ASP HA H 37 4.526 4.719 -0.193 17414 4985 1 11 . 1 1 37 37 ASP CA C 37 52.534 54.086 -1.552 17414 4986 1 11 . 1 1 37 37 ASP CB C 37 39.654 41.465 -1.811 17414 4987 1 11 . 1 1 38 38 GLY N N 38 107.649 107.916 -0.267 17414 4988 1 11 . 1 1 38 38 GLY CA C 38 45.025 45.962 -0.937 17414 4989 1 11 . 1 1 39 39 THR N N 39 110.428 112.820 -2.392 17414 4990 1 11 . 1 1 39 39 THR HA H 39 4.265 4.537 -0.272 17414 4991 1 11 . 1 1 39 39 THR CA C 39 60.883 60.186 0.697 17414 4992 1 11 . 1 1 39 39 THR CB C 39 70.144 70.578 -0.434 17414 4993 1 11 . 1 1 40 40 LEU N N 40 120.829 125.747 -4.918 17414 4994 1 11 . 1 1 40 40 LEU HA H 40 5.312 5.143 0.169 17414 4995 1 11 . 1 1 40 40 LEU CA C 40 53.146 54.260 -1.114 17414 4996 1 11 . 1 1 40 40 LEU CB C 40 41.870 43.085 -1.215 17414 4997 1 11 . 1 1 41 41 HIS N N 41 120.175 120.743 -0.568 17414 4998 1 11 . 1 1 41 41 HIS HA H 41 4.622 4.988 -0.366 17414 4999 1 11 . 1 1 41 41 HIS CA C 41 54.675 54.757 -0.082 17414 5000 1 11 . 1 1 41 41 HIS CB C 41 35.374 33.606 1.768 17414 5001 1 11 . 1 1 42 42 ALA N N 42 125.084 125.932 -0.848 17414 5002 1 11 . 1 1 42 42 ALA HA H 42 5.530 4.567 0.963 17414 5003 1 11 . 1 1 42 42 ALA CA C 42 50.934 52.438 -1.504 17414 5004 1 11 . 1 1 42 42 ALA CB C 42 18.920 19.589 -0.669 17414 5005 1 11 . 1 1 43 43 ARG N N 43 124.440 121.440 3.000 17414 5006 1 11 . 1 1 43 43 ARG HA H 43 5.177 4.916 0.261 17414 5007 1 11 . 1 1 43 43 ARG CA C 43 50.736 52.799 -2.063 17414 5008 1 11 . 1 1 43 43 ARG CB C 43 35.105 32.893 2.212 17414 5009 1 11 . 1 1 44 44 PRO HA H 44 4.506 4.070 0.436 17414 5010 1 11 . 1 1 44 44 PRO CA C 44 61.661 61.938 -0.277 17414 5011 1 11 . 1 1 44 44 PRO CB C 44 32.437 32.071 0.366 17414 5012 1 11 . 1 1 45 45 VAL N N 45 119.113 120.234 -1.121 17414 5013 1 11 . 1 1 45 45 VAL HA H 45 4.195 4.254 -0.059 17414 5014 1 11 . 1 1 45 45 VAL CA C 45 61.770 61.458 0.312 17414 5015 1 11 . 1 1 45 45 VAL CB C 45 32.099 33.246 -1.147 17414 5016 1 11 . 1 1 46 46 VAL N N 46 114.811 119.435 -4.624 17414 5017 1 11 . 1 1 46 46 VAL HA H 46 4.117 4.331 -0.214 17414 5018 1 11 . 1 1 46 46 VAL CA C 46 59.689 60.853 -1.164 17414 5019 1 11 . 1 1 46 46 VAL CB C 46 33.207 33.371 -0.164 17414 5020 1 11 . 1 1 47 47 SER N N 47 113.271 112.806 0.465 17414 5021 1 11 . 1 1 47 47 SER HA H 47 3.992 4.013 -0.021 17414 5022 1 11 . 1 1 47 47 SER CA C 47 56.916 56.387 0.529 17414 5023 1 11 . 1 1 47 47 SER CB C 47 65.285 65.472 -0.187 17414 5024 1 11 . 1 1 48 48 TRP N N 48 120.998 121.424 -0.426 17414 5025 1 11 . 1 1 48 48 TRP HA H 48 4.518 5.368 -0.850 17414 5026 1 11 . 1 1 48 48 TRP CA C 48 58.275 55.921 2.354 17414 5027 1 11 . 1 1 48 48 TRP CB C 48 32.474 32.429 0.045 17414 5028 1 11 . 1 1 49 49 PHE N N 49 120.098 122.053 -1.955 17414 5029 1 11 . 1 1 49 49 PHE HA H 49 5.159 5.204 -0.045 17414 5030 1 11 . 1 1 49 49 PHE CA C 49 55.741 56.307 -0.566 17414 5031 1 11 . 1 1 49 49 PHE CB C 49 40.992 43.611 -2.619 17414 5032 1 11 . 1 1 50 50 ASP N N 50 127.259 122.025 5.234 17414 5033 1 11 . 1 1 50 50 ASP HA H 50 4.829 5.556 -0.727 17414 5034 1 11 . 1 1 50 50 ASP CA C 50 53.464 52.874 0.590 17414 5035 1 11 . 1 1 50 50 ASP CB C 50 40.713 42.403 -1.690 17414 5036 1 11 . 1 1 51 51 GLN N N 51 123.758 120.690 3.068 17414 5037 1 11 . 1 1 51 51 GLN HA H 51 4.902 4.570 0.332 17414 5038 1 11 . 1 1 51 51 GLN CA C 51 55.613 55.793 -0.180 17414 5039 1 11 . 1 1 52 52 GLY N N 52 108.682 107.861 0.821 17414 5040 1 11 . 1 1 52 52 GLY CA C 52 44.063 44.263 -0.200 17414 5041 1 11 . 1 1 53 53 THR N N 53 118.925 116.084 2.841 17414 5042 1 11 . 1 1 53 53 THR HA H 53 4.734 4.772 -0.038 17414 5043 1 11 . 1 1 53 53 THR CA C 53 62.734 63.354 -0.620 17414 5044 1 11 . 1 1 53 53 THR CB C 53 67.881 69.414 -1.533 17414 5045 1 11 . 1 1 54 54 ARG N N 54 125.981 124.514 1.467 17414 5046 1 11 . 1 1 54 54 ARG HA H 54 4.677 4.907 -0.230 17414 5047 1 11 . 1 1 54 54 ARG CA C 54 53.580 54.030 -0.450 17414 5048 1 11 . 1 1 54 54 ARG CB C 54 35.619 34.544 1.075 17414 5049 1 11 . 1 1 55 55 ASP N N 55 119.621 120.815 -1.194 17414 5050 1 11 . 1 1 55 55 ASP HA H 55 4.973 4.954 0.019 17414 5051 1 11 . 1 1 55 55 ASP CA C 55 54.236 54.612 -0.376 17414 5052 1 11 . 1 1 55 55 ASP CB C 55 40.704 40.974 -0.270 17414 5053 1 11 . 1 1 56 56 VAL N N 56 114.565 117.894 -3.329 17414 5054 1 11 . 1 1 56 56 VAL HA H 56 4.804 4.944 -0.140 17414 5055 1 11 . 1 1 56 56 VAL CA C 56 58.672 59.451 -0.779 17414 5056 1 11 . 1 1 56 56 VAL CB C 56 34.813 35.909 -1.096 17414 5057 1 11 . 1 1 57 57 ILE N N 57 114.855 122.595 -7.740 17414 5058 1 11 . 1 1 57 57 ILE HA H 57 4.740 5.001 -0.261 17414 5059 1 11 . 1 1 57 57 ILE CA C 57 58.799 59.535 -0.736 17414 5060 1 11 . 1 1 57 57 ILE CB C 57 41.197 39.866 1.331 17414 5061 1 11 . 1 1 58 58 GLY N N 58 107.378 109.289 -1.911 17414 5062 1 11 . 1 1 58 58 GLY CA C 58 43.036 43.458 -0.422 17414 5063 1 11 . 1 1 59 59 LEU N N 59 124.061 125.294 -1.233 17414 5064 1 11 . 1 1 59 59 LEU HA H 59 4.677 4.748 -0.071 17414 5065 1 11 . 1 1 59 59 LEU CA C 59 52.282 53.599 -1.317 17414 5066 1 11 . 1 1 59 59 LEU CB C 59 42.668 42.896 -0.228 17414 5067 1 11 . 1 1 60 60 ARG N N 60 124.178 124.940 -0.762 17414 5068 1 11 . 1 1 60 60 ARG HA H 60 4.799 4.678 0.121 17414 5069 1 11 . 1 1 61 61 ILE N N 61 128.222 127.661 0.561 17414 5070 1 11 . 1 1 61 61 ILE HA H 61 4.492 4.516 -0.024 17414 5071 1 11 . 1 1 61 61 ILE CA C 61 58.741 59.862 -1.121 17414 5072 1 11 . 1 1 61 61 ILE CB C 61 37.622 38.843 -1.221 17414 5073 1 11 . 1 1 62 62 ALA N N 62 128.005 131.891 -3.886 17414 5074 1 11 . 1 1 62 62 ALA HA H 62 4.108 4.001 0.107 17414 5075 1 11 . 1 1 62 62 ALA CA C 62 54.129 53.374 0.755 17414 5076 1 11 . 1 1 62 62 ALA CB C 62 18.002 17.953 0.049 17414 5077 1 11 . 1 1 63 63 GLY CA C 63 44.912 45.537 -0.625 17414 5078 1 11 . 1 1 64 64 GLY N N 64 107.906 108.408 -0.502 17414 5079 1 11 . 1 1 64 64 GLY CA C 64 44.751 46.402 -1.651 17414 5080 1 11 . 1 1 65 65 ALA N N 65 125.759 123.306 2.453 17414 5081 1 11 . 1 1 65 65 ALA HA H 65 4.394 4.730 -0.336 17414 5082 1 11 . 1 1 65 65 ALA CA C 65 51.764 51.261 0.503 17414 5083 1 11 . 1 1 65 65 ALA CB C 65 19.458 21.683 -2.225 17414 5084 1 11 . 1 1 66 66 ILE N N 66 118.136 118.783 -0.647 17414 5085 1 11 . 1 1 66 66 ILE HA H 66 4.705 5.043 -0.338 17414 5086 1 11 . 1 1 66 66 ILE CA C 66 59.670 59.714 -0.044 17414 5087 1 11 . 1 1 66 66 ILE CB C 66 40.415 41.876 -1.461 17414 5088 1 11 . 1 1 67 67 LEU N N 67 127.715 126.311 1.404 17414 5089 1 11 . 1 1 67 67 LEU HA H 67 4.728 4.996 -0.268 17414 5090 1 11 . 1 1 67 67 LEU CA C 67 53.331 53.188 0.143 17414 5091 1 11 . 1 1 67 67 LEU CB C 67 44.102 45.424 -1.322 17414 5092 1 11 . 1 1 68 68 TRP N N 68 129.332 128.452 0.880 17414 5093 1 11 . 1 1 68 68 TRP HA H 68 5.672 5.529 0.143 17414 5094 1 11 . 1 1 68 68 TRP CA C 68 54.812 55.836 -1.024 17414 5095 1 11 . 1 1 68 68 TRP CB C 68 29.742 30.750 -1.008 17414 5096 1 11 . 1 1 69 69 ALA N N 69 124.233 124.818 -0.585 17414 5097 1 11 . 1 1 69 69 ALA HA H 69 5.243 4.940 0.303 17414 5098 1 11 . 1 1 69 69 ALA CA C 69 49.203 51.135 -1.932 17414 5099 1 11 . 1 1 69 69 ALA CB C 69 22.138 23.383 -1.245 17414 5100 1 11 . 1 1 70 70 THR N N 70 111.459 111.000 0.459 17414 5101 1 11 . 1 1 70 70 THR HA H 70 5.152 4.832 0.320 17414 5102 1 11 . 1 1 70 70 THR CA C 70 60.495 60.351 0.144 17414 5103 1 11 . 1 1 70 70 THR CB C 70 67.570 68.945 -1.375 17414 5104 1 11 . 1 1 71 71 PRO HA H 71 4.165 4.514 -0.349 17414 5105 1 11 . 1 1 71 71 PRO CA C 71 64.390 65.099 -0.709 17414 5106 1 11 . 1 1 72 72 ASP N N 72 112.234 115.686 -3.452 17414 5107 1 11 . 1 1 72 72 ASP HA H 72 4.505 4.647 -0.142 17414 5108 1 11 . 1 1 72 72 ASP CA C 72 52.827 54.355 -1.528 17414 5109 1 11 . 1 1 73 73 HIS N N 73 125.389 121.521 3.868 17414 5110 1 11 . 1 1 73 73 HIS HA H 73 3.796 4.511 -0.715 17414 5111 1 11 . 1 1 73 73 HIS CA C 73 58.310 57.024 1.286 17414 5112 1 11 . 1 1 73 73 HIS CB C 73 32.385 30.529 1.856 17414 5113 1 11 . 1 1 74 74 LYS N N 74 127.412 125.720 1.692 17414 5114 1 11 . 1 1 74 74 LYS HA H 74 4.661 4.647 0.014 17414 5115 1 11 . 1 1 74 74 LYS CA C 74 56.845 56.164 0.681 17414 5116 1 11 . 1 1 75 75 VAL N N 75 125.726 124.829 0.897 17414 5117 1 11 . 1 1 75 75 VAL HA H 75 4.754 4.842 -0.088 17414 5118 1 11 . 1 1 75 75 VAL CA C 75 60.739 61.363 -0.624 17414 5119 1 11 . 1 1 75 75 VAL CB C 75 35.276 34.109 1.167 17414 5120 1 11 . 1 1 76 76 LEU N N 76 129.759 129.926 -0.167 17414 5121 1 11 . 1 1 76 76 LEU HA H 76 3.514 4.206 -0.692 17414 5122 1 11 . 1 1 76 76 LEU CA C 76 55.222 54.270 0.952 17414 5123 1 11 . 1 1 76 76 LEU CB C 76 39.052 42.348 -3.296 17414 5124 1 11 . 1 1 77 77 THR N N 77 116.138 117.136 -0.998 17414 5125 1 11 . 1 1 77 77 THR HA H 77 5.295 4.784 0.511 17414 5126 1 11 . 1 1 77 77 THR CA C 77 59.543 60.202 -0.659 17414 5127 1 11 . 1 1 78 78 GLU N N 78 119.986 119.479 0.507 17414 5128 1 11 . 1 1 78 78 GLU HA H 78 3.558 3.808 -0.250 17414 5129 1 11 . 1 1 78 78 GLU CA C 78 57.551 57.988 -0.437 17414 5130 1 11 . 1 1 78 78 GLU CB C 78 28.385 28.304 0.081 17414 5131 1 11 . 1 1 79 79 TYR N N 79 117.251 118.241 -0.990 17414 5132 1 11 . 1 1 79 79 TYR HA H 79 4.749 4.557 0.192 17414 5133 1 11 . 1 1 79 79 TYR CA C 79 55.553 58.058 -2.505 17414 5134 1 11 . 1 1 79 79 TYR CB C 79 37.935 39.045 -1.110 17414 5135 1 11 . 1 1 80 80 GLY N N 80 106.884 107.321 -0.437 17414 5136 1 11 . 1 1 80 80 GLY CA C 80 42.757 44.446 -1.689 17414 5137 1 11 . 1 1 81 81 TRP N N 81 125.593 122.918 2.675 17414 5138 1 11 . 1 1 81 81 TRP HA H 81 4.884 5.117 -0.233 17414 5139 1 11 . 1 1 81 81 TRP CA C 81 57.790 57.360 0.430 17414 5140 1 11 . 1 1 81 81 TRP CB C 81 29.255 30.892 -1.637 17414 5141 1 11 . 1 1 82 82 ARG N N 82 124.625 122.165 2.460 17414 5142 1 11 . 1 1 82 82 ARG HA H 82 4.773 5.007 -0.234 17414 5143 1 11 . 1 1 82 82 ARG CA C 82 53.895 54.038 -0.143 17414 5144 1 11 . 1 1 83 83 ALA N N 83 125.891 127.238 -1.347 17414 5145 1 11 . 1 1 83 83 ALA HA H 83 4.293 4.396 -0.103 17414 5146 1 11 . 1 1 83 83 ALA CA C 83 51.686 52.624 -0.938 17414 5147 1 11 . 1 1 84 84 ALA N N 84 125.790 125.174 0.616 17414 5148 1 11 . 1 1 84 84 ALA HA H 84 3.930 4.064 -0.134 17414 5149 1 11 . 1 1 84 84 ALA CB C 84 17.269 18.575 -1.306 17414 5150 1 11 . 1 1 85 85 GLY N N 85 102.306 105.288 -2.982 17414 5151 1 11 . 1 1 86 86 GLU N N 86 117.564 118.069 -0.505 17414 5152 1 11 . 1 1 86 86 GLU HA H 86 4.414 4.426 -0.012 17414 5153 1 11 . 1 1 86 86 GLU CA C 86 55.233 56.038 -0.805 17414 5154 1 11 . 1 1 86 86 GLU CB C 86 30.231 29.609 0.622 17414 5155 1 11 . 1 1 87 87 LEU N N 87 119.746 122.363 -2.617 17414 5156 1 11 . 1 1 87 87 LEU HA H 87 4.417 4.875 -0.458 17414 5157 1 11 . 1 1 87 87 LEU CA C 87 54.274 53.466 0.808 17414 5158 1 11 . 1 1 87 87 LEU CB C 87 41.471 43.767 -2.296 17414 5159 1 11 . 1 1 88 88 ARG N N 88 120.899 123.312 -2.413 17414 5160 1 11 . 1 1 88 88 ARG HA H 88 4.627 4.916 -0.289 17414 5161 1 11 . 1 1 88 88 ARG CA C 88 52.594 53.845 -1.251 17414 5162 1 11 . 1 1 89 89 LYS N N 89 119.795 124.076 -4.281 17414 5163 1 11 . 1 1 89 89 LYS HA H 89 3.669 4.052 -0.383 17414 5164 1 11 . 1 1 89 89 LYS CA C 89 57.770 57.933 -0.163 17414 5165 1 11 . 1 1 90 90 GLY N N 90 115.070 112.560 2.510 17414 5166 1 11 . 1 1 90 90 GLY CA C 90 44.499 45.357 -0.858 17414 5167 1 11 . 1 1 91 91 ASP N N 91 121.652 121.339 0.313 17414 5168 1 11 . 1 1 91 91 ASP HA H 91 4.716 4.775 -0.059 17414 5169 1 11 . 1 1 91 91 ASP CA C 91 55.866 54.140 1.726 17414 5170 1 11 . 1 1 92 92 ARG N N 92 117.826 123.495 -5.669 17414 5171 1 11 . 1 1 92 92 ARG HA H 92 5.241 5.031 0.210 17414 5172 1 11 . 1 1 92 92 ARG CA C 92 54.976 55.757 -0.781 17414 5173 1 11 . 1 1 92 92 ARG CB C 92 31.655 31.448 0.207 17414 5174 1 11 . 1 1 93 93 VAL N N 93 115.034 118.429 -3.395 17414 5175 1 11 . 1 1 93 93 VAL HA H 93 4.839 4.904 -0.065 17414 5176 1 11 . 1 1 93 93 VAL CA C 93 58.222 59.139 -0.917 17414 5177 1 11 . 1 1 94 94 ALA N N 94 126.192 124.767 1.425 17414 5178 1 11 . 1 1 94 94 ALA HA H 94 4.271 4.186 0.085 17414 5179 1 11 . 1 1 94 94 ALA CA C 94 50.975 51.614 -0.639 17414 5180 1 11 . 1 1 94 94 ALA CB C 94 18.748 18.868 -0.120 17414 5181 1 11 . 1 1 95 95 VAL N N 95 115.179 116.685 -1.506 17414 5182 1 11 . 1 1 95 95 VAL HA H 95 5.317 4.963 0.354 17414 5183 1 11 . 1 1 95 95 VAL CA C 95 57.154 58.801 -1.647 17414 5184 1 11 . 1 1 95 95 VAL CB C 95 35.186 35.446 -0.260 17414 5185 1 11 . 1 1 96 96 ARG N N 96 119.288 122.187 -2.899 17414 5186 1 11 . 1 1 96 96 ARG HA H 96 4.230 4.916 -0.686 17414 5187 1 11 . 1 1 96 96 ARG CA C 96 53.613 54.333 -0.720 17414 5188 1 11 . 1 1 96 96 ARG CB C 96 31.697 32.959 -1.262 17414 5189 1 11 . 1 1 97 97 ASP N N 97 131.180 125.911 5.269 17414 5190 1 11 . 1 1 97 97 ASP HA H 97 4.415 4.808 -0.393 17414 5191 1 11 . 1 1 97 97 ASP CA C 97 53.887 52.967 0.920 17414 5192 1 11 . 1 1 97 97 ASP CB C 97 42.723 42.200 0.523 17414 5193 1 11 . 1 1 98 98 VAL N N 98 126.152 123.290 2.862 17414 5194 1 11 . 1 1 98 98 VAL HA H 98 3.489 3.808 -0.319 17414 5195 1 11 . 1 1 98 98 VAL CA C 98 64.431 64.803 -0.372 17414 5196 1 11 . 1 1 98 98 VAL CB C 98 31.047 31.430 -0.383 17414 5197 1 11 . 1 1 99 99 GLU N N 99 118.883 121.748 -2.865 17414 5198 1 11 . 1 1 99 99 GLU HA H 99 4.127 4.069 0.058 17414 5199 1 11 . 1 1 99 99 GLU CA C 99 58.178 59.094 -0.916 17414 5200 1 11 . 1 1 99 99 GLU CB C 99 29.591 29.986 -0.395 17414 5201 1 11 . 1 1 100 100 THR N N 100 106.301 111.129 -4.828 17414 5202 1 11 . 1 1 100 100 THR HA H 100 4.316 4.402 -0.086 17414 5203 1 11 . 1 1 100 100 THR CA C 100 61.407 62.360 -0.953 17414 5204 1 11 . 1 1 100 100 THR CB C 100 70.856 69.260 1.596 17414 5205 1 11 . 1 1 101 101 GLY N N 101 111.204 110.487 0.717 17414 5206 1 11 . 1 1 101 101 GLY CA C 101 45.284 45.381 -0.097 17414 5207 1 11 . 1 1 102 102 GLU N N 102 118.458 120.461 -2.003 17414 5208 1 11 . 1 1 102 102 GLU HA H 102 4.301 4.393 -0.092 17414 5209 1 11 . 1 1 102 102 GLU CA C 102 55.160 56.012 -0.852 17414 5210 1 11 . 1 1 102 102 GLU CB C 102 31.769 30.995 0.774 17414 5211 1 11 . 1 1 103 103 LEU N N 103 121.701 120.305 1.396 17414 5212 1 11 . 1 1 103 103 LEU HA H 103 4.716 4.746 -0.030 17414 5213 1 11 . 1 1 103 103 LEU CA C 103 54.930 53.767 1.163 17414 5214 1 11 . 1 1 103 103 LEU CB C 103 42.346 43.028 -0.682 17414 5215 1 11 . 1 1 104 104 ARG N N 104 127.157 119.306 7.851 17414 5216 1 11 . 1 1 104 104 ARG HA H 104 4.403 4.858 -0.455 17414 5217 1 11 . 1 1 104 104 ARG CA C 104 53.201 53.657 -0.456 17414 5218 1 11 . 1 1 104 104 ARG CB C 104 32.989 34.344 -1.355 17414 5219 1 11 . 1 1 105 105 TYR N N 105 116.202 116.735 -0.533 17414 5220 1 11 . 1 1 105 105 TYR HA H 105 5.490 5.554 -0.064 17414 5221 1 11 . 1 1 105 105 TYR CA C 105 56.831 56.507 0.324 17414 5222 1 11 . 1 1 105 105 TYR CB C 105 40.116 41.906 -1.790 17414 5223 1 11 . 1 1 106 106 SER N N 106 118.250 115.505 2.745 17414 5224 1 11 . 1 1 106 106 SER HA H 106 4.807 5.064 -0.257 17414 5225 1 11 . 1 1 106 106 SER CA C 106 55.888 57.588 -1.700 17414 5226 1 11 . 1 1 106 106 SER CB C 106 66.301 66.828 -0.527 17414 5227 1 11 . 1 1 107 107 VAL N N 107 122.160 121.997 0.163 17414 5228 1 11 . 1 1 107 107 VAL HA H 107 4.423 4.561 -0.138 17414 5229 1 11 . 1 1 107 107 VAL CA C 107 61.369 61.265 0.104 17414 5230 1 11 . 1 1 107 107 VAL CB C 107 33.633 32.968 0.665 17414 5231 1 11 . 1 1 108 108 ILE N N 108 123.427 125.544 -2.117 17414 5232 1 11 . 1 1 108 108 ILE HA H 108 4.100 4.146 -0.046 17414 5233 1 11 . 1 1 108 108 ILE CA C 108 61.321 61.502 -0.181 17414 5234 1 11 . 1 1 108 108 ILE CB C 108 37.408 37.259 0.149 17414 5235 1 11 . 1 1 109 109 ARG N N 109 130.207 127.687 2.520 17414 5236 1 11 . 1 1 109 109 ARG HA H 109 4.254 4.248 0.006 17414 5237 1 11 . 1 1 109 109 ARG CA C 109 55.904 58.140 -2.236 17414 5238 1 11 . 1 1 110 110 GLU N N 110 116.804 116.955 -0.151 17414 5239 1 11 . 1 1 110 110 GLU HA H 110 4.274 4.622 -0.348 17414 5240 1 11 . 1 1 110 110 GLU CA C 110 55.889 56.120 -0.231 17414 5241 1 11 . 1 1 110 110 GLU CB C 110 33.186 33.197 -0.011 17414 5242 1 11 . 1 1 111 111 VAL N N 111 125.709 125.661 0.048 17414 5243 1 11 . 1 1 111 111 VAL HA H 111 4.709 4.581 0.128 17414 5244 1 11 . 1 1 111 111 VAL CA C 111 60.903 61.320 -0.417 17414 5245 1 11 . 1 1 111 111 VAL CB C 111 31.927 33.541 -1.614 17414 5246 1 11 . 1 1 112 112 LEU N N 112 132.638 128.685 3.953 17414 5247 1 11 . 1 1 112 112 LEU HA H 112 4.741 4.837 -0.096 17414 5248 1 11 . 1 1 112 112 LEU CA C 112 52.655 51.681 0.974 17414 5249 1 11 . 1 1 112 112 LEU CB C 112 40.998 41.864 -0.866 17414 5250 1 11 . 1 1 113 113 PRO HA H 113 4.532 4.579 -0.047 17414 5251 1 11 . 1 1 113 113 PRO CA C 113 61.916 62.696 -0.780 17414 5252 1 11 . 1 1 113 113 PRO CB C 113 32.608 32.244 0.364 17414 5253 1 11 . 1 1 114 114 THR N N 114 112.542 112.420 0.122 17414 5254 1 11 . 1 1 114 114 THR HA H 114 4.973 4.866 0.107 17414 5255 1 11 . 1 1 114 114 THR CA C 114 61.865 61.145 0.720 17414 5256 1 11 . 1 1 114 114 THR CB C 114 69.345 70.509 -1.164 17414 5257 1 11 . 1 1 115 115 ARG N N 115 123.213 120.195 3.018 17414 5258 1 11 . 1 1 115 115 ARG HA H 115 4.694 4.991 -0.297 17414 5259 1 11 . 1 1 115 115 ARG CA C 115 54.302 54.461 -0.159 17414 5260 1 11 . 1 1 115 115 ARG CB C 115 32.684 33.880 -1.196 17414 5261 1 11 . 1 1 116 116 ARG N N 116 119.004 122.449 -3.445 17414 5262 1 11 . 1 1 116 116 ARG HA H 116 4.879 4.569 0.310 17414 5263 1 11 . 1 1 116 116 ARG CA C 116 54.554 56.528 -1.974 17414 5264 1 11 . 1 1 116 116 ARG CB C 116 30.285 30.608 -0.323 17414 5265 1 11 . 1 1 117 117 ALA N N 117 124.834 124.434 0.400 17414 5266 1 11 . 1 1 117 117 ALA HA H 117 4.599 4.754 -0.155 17414 5267 1 11 . 1 1 117 117 ALA CA C 117 50.434 51.078 -0.644 17414 5268 1 11 . 1 1 117 117 ALA CB C 117 23.139 22.853 0.286 17414 5269 1 11 . 1 1 118 118 ARG N N 118 120.885 118.995 1.890 17414 5270 1 11 . 1 1 118 118 ARG HA H 118 3.925 4.596 -0.671 17414 5271 1 11 . 1 1 118 118 ARG CA C 118 57.559 55.588 1.971 17414 5272 1 11 . 1 1 118 118 ARG CB C 118 30.409 31.888 -1.479 17414 5273 1 11 . 1 1 119 119 THR N N 119 111.492 112.168 -0.676 17414 5274 1 11 . 1 1 119 119 THR HA H 119 5.309 5.181 0.128 17414 5275 1 11 . 1 1 119 119 THR CA C 119 60.071 59.016 1.055 17414 5276 1 11 . 1 1 119 119 THR CB C 119 72.737 72.113 0.624 17414 5277 1 11 . 1 1 120 120 PHE N N 120 113.949 119.212 -5.263 17414 5278 1 11 . 1 1 120 120 PHE HA H 120 5.311 5.263 0.048 17414 5279 1 11 . 1 1 120 120 PHE CA C 120 57.898 56.104 1.794 17414 5280 1 11 . 1 1 120 120 PHE CB C 120 46.203 43.865 2.338 17414 5281 1 11 . 1 1 121 121 ASP N N 121 118.841 119.337 -0.496 17414 5282 1 11 . 1 1 121 121 ASP HA H 121 5.352 5.390 -0.038 17414 5283 1 11 . 1 1 121 121 ASP CA C 121 55.227 53.721 1.506 17414 5284 1 11 . 1 1 121 121 ASP CB C 121 47.673 44.913 2.760 17414 5285 1 11 . 1 1 122 122 LEU N N 122 118.637 123.712 -5.075 17414 5286 1 11 . 1 1 122 122 LEU HA H 122 4.809 4.944 -0.135 17414 5287 1 11 . 1 1 122 122 LEU CB C 122 45.915 43.682 2.233 17414 5288 1 11 . 1 1 123 123 GLU N N 123 118.694 125.362 -6.668 17414 5289 1 11 . 1 1 123 123 GLU HA H 123 4.515 4.673 -0.158 17414 5290 1 11 . 1 1 123 123 GLU CA C 123 54.697 55.773 -1.076 17414 5291 1 11 . 1 1 124 124 VAL N N 124 129.259 127.710 1.549 17414 5292 1 11 . 1 1 124 124 VAL HA H 124 4.065 4.496 -0.431 17414 5293 1 11 . 1 1 124 124 VAL CA C 124 61.193 61.756 -0.563 17414 5294 1 11 . 1 1 124 124 VAL CB C 124 33.607 33.084 0.523 17414 5295 1 11 . 1 1 125 125 GLU N N 125 128.432 127.862 0.570 17414 5296 1 11 . 1 1 125 125 GLU HA H 125 3.672 4.601 -0.929 17414 5297 1 11 . 1 1 125 125 GLU CA C 125 58.494 56.676 1.818 17414 5298 1 11 . 1 1 125 125 GLU CB C 125 30.552 30.311 0.241 17414 5299 1 11 . 1 1 126 126 GLU N N 126 120.993 126.324 -5.331 17414 5300 1 11 . 1 1 126 126 GLU HA H 126 3.570 4.374 -0.804 17414 5301 1 11 . 1 1 126 126 GLU CA C 126 61.229 58.666 2.563 17414 5302 1 11 . 1 1 126 126 GLU CB C 126 29.621 29.399 0.222 17414 5303 1 11 . 1 1 127 127 LEU N N 127 120.945 120.316 0.629 17414 5304 1 11 . 1 1 127 127 LEU HA H 127 4.205 4.066 0.139 17414 5305 1 11 . 1 1 127 127 LEU CA C 127 55.681 55.910 -0.229 17414 5306 1 11 . 1 1 128 128 HIS HA H 128 4.584 4.410 0.174 17414 5307 1 11 . 1 1 128 128 HIS CA C 128 54.566 56.533 -1.967 17414 5308 1 11 . 1 1 128 128 HIS CB C 128 26.062 27.634 -1.572 17414 5309 1 11 . 1 1 129 129 THR N N 129 105.639 114.387 -8.748 17414 5310 1 11 . 1 1 129 129 THR HA H 129 4.899 4.868 0.031 17414 5311 1 11 . 1 1 129 129 THR CA C 129 58.380 61.215 -2.835 17414 5312 1 11 . 1 1 129 129 THR CB C 129 72.980 71.107 1.873 17414 5313 1 11 . 1 1 130 130 LEU N N 130 111.598 122.547 -10.949 17414 5314 1 11 . 1 1 130 130 LEU HA H 130 5.537 5.320 0.217 17414 5315 1 11 . 1 1 130 130 LEU CA C 130 54.683 53.894 0.789 17414 5316 1 11 . 1 1 130 130 LEU CB C 130 44.277 45.404 -1.127 17414 5317 1 11 . 1 1 131 131 VAL N N 131 119.670 120.890 -1.220 17414 5318 1 11 . 1 1 131 131 VAL HA H 131 4.830 4.748 0.082 17414 5319 1 11 . 1 1 131 131 VAL CA C 131 61.285 61.226 0.059 17414 5320 1 11 . 1 1 131 131 VAL CB C 131 30.272 33.086 -2.814 17414 5321 1 11 . 1 1 132 132 ALA N N 132 134.824 129.819 5.005 17414 5322 1 11 . 1 1 132 132 ALA HA H 132 4.931 4.879 0.052 17414 5323 1 11 . 1 1 132 132 ALA CA C 132 49.999 50.671 -0.672 17414 5324 1 11 . 1 1 132 132 ALA CB C 132 21.422 21.413 0.009 17414 5325 1 11 . 1 1 133 133 GLU N N 133 118.979 124.930 -5.951 17414 5326 1 11 . 1 1 133 133 GLU HA H 133 3.826 4.075 -0.249 17414 5327 1 11 . 1 1 133 133 GLU CA C 133 57.065 57.734 -0.669 17414 5328 1 11 . 1 1 133 133 GLU CB C 133 26.406 28.317 -1.911 17414 5329 1 11 . 1 1 134 134 GLY N N 134 100.017 104.339 -4.322 17414 5330 1 11 . 1 1 134 134 GLY CA C 134 45.352 45.497 -0.145 17414 5331 1 11 . 1 1 135 135 VAL N N 135 122.381 121.721 0.660 17414 5332 1 11 . 1 1 135 135 VAL HA H 135 4.560 4.137 0.423 17414 5333 1 11 . 1 1 135 135 VAL CA C 135 60.885 62.046 -1.161 17414 5334 1 11 . 1 1 135 135 VAL CB C 135 32.542 32.823 -0.281 17414 5335 1 11 . 1 1 136 136 VAL N N 136 126.302 126.228 0.074 17414 5336 1 11 . 1 1 136 136 VAL HA H 136 4.254 4.789 -0.535 17414 5337 1 11 . 1 1 136 136 VAL CA C 136 63.608 61.497 2.111 17414 5338 1 11 . 1 1 136 136 VAL CB C 136 30.519 32.957 -2.438 17414 5339 1 11 . 1 1 137 137 VAL N N 137 118.757 120.760 -2.003 17414 5340 1 11 . 1 1 137 137 VAL HA H 137 5.743 5.154 0.589 17414 5341 1 11 . 1 1 137 137 VAL CA C 137 58.252 59.821 -1.569 17414 5342 1 11 . 1 1 137 137 VAL CB C 137 36.378 35.937 0.441 17414 5343 1 11 . 1 1 138 138 HIS N N 138 120.902 124.060 -3.158 17414 5344 1 11 . 1 1 138 138 HIS HA H 138 4.434 4.336 0.098 17414 5345 1 11 . 1 1 138 138 HIS CA C 138 56.439 57.180 -0.741 17414 5346 1 11 . 1 1 138 138 HIS CB C 138 30.583 29.786 0.797 17414 5347 1 12 . 1 1 2 2 LEU N N 2 122.945 121.820 1.125 17414 5348 1 12 . 1 1 2 2 LEU HA H 2 5.005 5.024 -0.019 17414 5349 1 12 . 1 1 2 2 LEU CA C 2 53.355 53.548 -0.193 17414 5350 1 12 . 1 1 2 2 LEU CB C 2 43.858 43.697 0.161 17414 5351 1 12 . 1 1 3 3 ALA N N 3 121.232 127.690 -6.458 17414 5352 1 12 . 1 1 3 3 ALA HA H 3 4.730 4.658 0.072 17414 5353 1 12 . 1 1 3 3 ALA CA C 3 52.302 51.867 0.435 17414 5354 1 12 . 1 1 3 3 ALA CB C 3 21.769 19.859 1.910 17414 5355 1 12 . 1 1 4 4 GLU N N 4 121.283 121.327 -0.044 17414 5356 1 12 . 1 1 4 4 GLU HA H 4 4.074 4.185 -0.111 17414 5357 1 12 . 1 1 4 4 GLU CA C 4 57.136 58.471 -1.335 17414 5358 1 12 . 1 1 4 4 GLU CB C 4 31.847 29.509 2.338 17414 5359 1 12 . 1 1 5 5 GLY N N 5 119.858 115.117 4.741 17414 5360 1 12 . 1 1 5 5 GLY CA C 5 44.157 45.171 -1.014 17414 5361 1 12 . 1 1 6 6 THR N N 6 117.099 116.729 0.370 17414 5362 1 12 . 1 1 6 6 THR HA H 6 4.301 4.215 0.086 17414 5363 1 12 . 1 1 6 6 THR CA C 6 65.228 63.797 1.431 17414 5364 1 12 . 1 1 6 6 THR CB C 6 68.654 69.166 -0.512 17414 5365 1 12 . 1 1 7 7 ARG N N 7 130.107 127.478 2.629 17414 5366 1 12 . 1 1 7 7 ARG HA H 7 4.878 4.868 0.010 17414 5367 1 12 . 1 1 7 7 ARG CA C 7 55.868 56.049 -0.181 17414 5368 1 12 . 1 1 8 8 ILE N N 8 123.872 125.419 -1.547 17414 5369 1 12 . 1 1 8 8 ILE HA H 8 4.531 4.773 -0.242 17414 5370 1 12 . 1 1 8 8 ILE CA C 8 59.240 60.259 -1.019 17414 5371 1 12 . 1 1 8 8 ILE CB C 8 40.450 38.868 1.582 17414 5372 1 12 . 1 1 9 9 PHE N N 9 129.317 129.416 -0.099 17414 5373 1 12 . 1 1 9 9 PHE HA H 9 4.832 4.796 0.036 17414 5374 1 12 . 1 1 9 9 PHE CA C 9 56.960 59.087 -2.127 17414 5375 1 12 . 1 1 9 9 PHE CB C 9 40.542 40.075 0.467 17414 5376 1 12 . 1 1 10 10 ASP N N 10 128.073 126.889 1.184 17414 5377 1 12 . 1 1 10 10 ASP HA H 10 5.529 5.101 0.428 17414 5378 1 12 . 1 1 10 10 ASP CA C 10 49.160 50.013 -0.853 17414 5379 1 12 . 1 1 10 10 ASP CB C 10 43.037 42.465 0.572 17414 5380 1 12 . 1 1 11 11 PRO HA H 11 3.974 4.507 -0.533 17414 5381 1 12 . 1 1 11 11 PRO CA C 11 62.348 64.477 -2.129 17414 5382 1 12 . 1 1 11 11 PRO CB C 11 30.977 32.093 -1.116 17414 5383 1 12 . 1 1 12 12 VAL N N 12 124.105 116.418 7.687 17414 5384 1 12 . 1 1 12 12 VAL HA H 12 3.591 3.711 -0.120 17414 5385 1 12 . 1 1 12 12 VAL CA C 12 64.849 65.437 -0.588 17414 5386 1 12 . 1 1 13 13 THR N N 13 107.133 108.946 -1.813 17414 5387 1 12 . 1 1 13 13 THR HA H 13 4.228 4.299 -0.071 17414 5388 1 12 . 1 1 13 13 THR CA C 13 60.944 62.598 -1.654 17414 5389 1 12 . 1 1 13 13 THR CB C 13 69.447 70.406 -0.959 17414 5390 1 12 . 1 1 14 14 GLY N N 14 112.897 112.188 0.709 17414 5391 1 12 . 1 1 14 14 GLY CA C 14 45.650 45.711 -0.061 17414 5392 1 12 . 1 1 15 15 THR N N 15 117.286 115.454 1.832 17414 5393 1 12 . 1 1 15 15 THR HA H 15 4.276 4.600 -0.324 17414 5394 1 12 . 1 1 15 15 THR CA C 15 61.382 61.046 0.336 17414 5395 1 12 . 1 1 15 15 THR CB C 15 70.037 71.317 -1.280 17414 5396 1 12 . 1 1 16 16 THR N N 16 120.518 119.183 1.335 17414 5397 1 12 . 1 1 16 16 THR HA H 16 4.911 4.681 0.230 17414 5398 1 12 . 1 1 16 16 THR CA C 16 62.321 62.404 -0.083 17414 5399 1 12 . 1 1 16 16 THR CB C 16 69.184 69.266 -0.082 17414 5400 1 12 . 1 1 17 17 HIS N N 17 127.011 126.118 0.893 17414 5401 1 12 . 1 1 17 17 HIS HA H 17 4.586 5.120 -0.534 17414 5402 1 12 . 1 1 17 17 HIS CA C 17 54.406 54.436 -0.030 17414 5403 1 12 . 1 1 17 17 HIS CB C 17 35.299 32.361 2.938 17414 5404 1 12 . 1 1 18 18 ARG N N 18 120.890 121.760 -0.870 17414 5405 1 12 . 1 1 18 18 ARG HA H 18 4.679 4.498 0.181 17414 5406 1 12 . 1 1 18 18 ARG CA C 18 54.802 54.923 -0.121 17414 5407 1 12 . 1 1 18 18 ARG CB C 18 29.657 31.855 -2.198 17414 5408 1 12 . 1 1 19 19 ILE N N 19 125.005 126.363 -1.358 17414 5409 1 12 . 1 1 19 19 ILE HA H 19 3.696 3.854 -0.158 17414 5410 1 12 . 1 1 19 19 ILE CA C 19 66.021 63.929 2.092 17414 5411 1 12 . 1 1 19 19 ILE CB C 19 37.936 37.792 0.144 17414 5412 1 12 . 1 1 20 20 GLU N N 20 123.813 119.216 4.597 17414 5413 1 12 . 1 1 20 20 GLU HA H 20 2.787 3.328 -0.541 17414 5414 1 12 . 1 1 20 20 GLU CA C 20 57.675 58.505 -0.830 17414 5415 1 12 . 1 1 20 20 GLU CB C 20 28.945 28.727 0.218 17414 5416 1 12 . 1 1 21 21 ASP N N 21 123.330 120.800 2.530 17414 5417 1 12 . 1 1 21 21 ASP HA H 21 4.489 4.358 0.131 17414 5418 1 12 . 1 1 21 21 ASP CA C 21 55.734 56.711 -0.977 17414 5419 1 12 . 1 1 21 21 ASP CB C 21 40.038 41.070 -1.032 17414 5420 1 12 . 1 1 22 22 VAL N N 22 121.407 119.419 1.988 17414 5421 1 12 . 1 1 22 22 VAL HA H 22 3.303 3.581 -0.278 17414 5422 1 12 . 1 1 22 22 VAL CA C 22 65.768 66.240 -0.472 17414 5423 1 12 . 1 1 22 22 VAL CB C 22 31.327 31.584 -0.257 17414 5424 1 12 . 1 1 23 23 VAL N N 23 116.800 120.751 -3.951 17414 5425 1 12 . 1 1 23 23 VAL HA H 23 3.928 3.740 0.188 17414 5426 1 12 . 1 1 23 23 VAL CA C 23 66.310 66.405 -0.095 17414 5427 1 12 . 1 1 24 24 GLY N N 24 120.577 108.282 12.295 17414 5428 1 12 . 1 1 25 25 GLY N N 25 103.034 108.466 -5.432 17414 5429 1 12 . 1 1 25 25 GLY CA C 25 43.755 44.867 -1.112 17414 5430 1 12 . 1 1 26 26 ARG N N 26 122.306 116.660 5.646 17414 5431 1 12 . 1 1 26 26 ARG HA H 26 1.544 3.595 -2.051 17414 5432 1 12 . 1 1 26 26 ARG CA C 26 55.119 56.432 -1.313 17414 5433 1 12 . 1 1 26 26 ARG CB C 26 26.620 27.482 -0.862 17414 5434 1 12 . 1 1 27 27 LYS N N 27 115.887 119.393 -3.506 17414 5435 1 12 . 1 1 27 27 LYS HA H 27 4.168 4.399 -0.231 17414 5436 1 12 . 1 1 27 27 LYS CB C 27 33.503 32.409 1.094 17414 5437 1 12 . 1 1 28 28 PRO HA H 28 5.145 4.981 0.164 17414 5438 1 12 . 1 1 28 28 PRO CA C 28 61.507 62.519 -1.012 17414 5439 1 12 . 1 1 28 28 PRO CB C 28 27.787 30.070 -2.283 17414 5440 1 12 . 1 1 29 29 ILE N N 29 116.657 123.804 -7.147 17414 5441 1 12 . 1 1 29 29 ILE HA H 29 4.443 4.803 -0.360 17414 5442 1 12 . 1 1 29 29 ILE CA C 29 60.723 58.390 2.333 17414 5443 1 12 . 1 1 29 29 ILE CB C 29 38.563 40.189 -1.626 17414 5444 1 12 . 1 1 30 30 HIS N N 30 118.274 120.721 -2.447 17414 5445 1 12 . 1 1 30 30 HIS HA H 30 5.152 5.262 -0.110 17414 5446 1 12 . 1 1 30 30 HIS CA C 30 55.902 54.578 1.324 17414 5447 1 12 . 1 1 30 30 HIS CB C 30 30.925 33.618 -2.693 17414 5448 1 12 . 1 1 31 31 VAL N N 31 107.262 115.733 -8.471 17414 5449 1 12 . 1 1 31 31 VAL HA H 31 5.212 4.898 0.314 17414 5450 1 12 . 1 1 31 31 VAL CA C 31 57.692 59.177 -1.485 17414 5451 1 12 . 1 1 31 31 VAL CB C 31 34.153 36.078 -1.925 17414 5452 1 12 . 1 1 32 32 VAL N N 32 119.900 122.960 -3.060 17414 5453 1 12 . 1 1 32 32 VAL HA H 32 4.246 4.397 -0.151 17414 5454 1 12 . 1 1 32 32 VAL CA C 32 62.504 62.688 -0.184 17414 5455 1 12 . 1 1 33 33 ALA N N 33 128.967 130.304 -1.337 17414 5456 1 12 . 1 1 33 33 ALA HA H 33 4.522 5.366 -0.844 17414 5457 1 12 . 1 1 33 33 ALA CA C 33 49.594 50.239 -0.645 17414 5458 1 12 . 1 1 33 33 ALA CB C 33 23.635 22.229 1.406 17414 5459 1 12 . 1 1 34 34 ALA N N 34 121.236 121.726 -0.490 17414 5460 1 12 . 1 1 34 34 ALA HA H 34 5.207 5.517 -0.310 17414 5461 1 12 . 1 1 34 34 ALA CA C 34 49.704 50.182 -0.478 17414 5462 1 12 . 1 1 35 35 ALA N N 35 125.943 122.866 3.077 17414 5463 1 12 . 1 1 35 35 ALA HA H 35 4.633 4.737 -0.104 17414 5464 1 12 . 1 1 35 35 ALA CA C 35 50.168 49.898 0.270 17414 5465 1 12 . 1 1 35 35 ALA CB C 35 20.121 21.514 -1.393 17414 5466 1 12 . 1 1 36 36 LYS N N 36 121.159 117.723 3.436 17414 5467 1 12 . 1 1 36 36 LYS HA H 36 4.272 4.165 0.107 17414 5468 1 12 . 1 1 36 36 LYS CA C 36 58.723 58.608 0.115 17414 5469 1 12 . 1 1 37 37 ASP N N 37 115.815 116.333 -0.518 17414 5470 1 12 . 1 1 37 37 ASP HA H 37 4.526 4.549 -0.023 17414 5471 1 12 . 1 1 37 37 ASP CA C 37 52.534 53.753 -1.219 17414 5472 1 12 . 1 1 37 37 ASP CB C 37 39.654 41.245 -1.591 17414 5473 1 12 . 1 1 38 38 GLY N N 38 107.649 109.498 -1.849 17414 5474 1 12 . 1 1 38 38 GLY CA C 38 45.025 45.171 -0.146 17414 5475 1 12 . 1 1 39 39 THR N N 39 110.428 113.566 -3.138 17414 5476 1 12 . 1 1 39 39 THR HA H 39 4.265 4.527 -0.262 17414 5477 1 12 . 1 1 39 39 THR CA C 39 60.883 61.206 -0.323 17414 5478 1 12 . 1 1 39 39 THR CB C 39 70.144 71.072 -0.928 17414 5479 1 12 . 1 1 40 40 LEU N N 40 120.829 123.947 -3.118 17414 5480 1 12 . 1 1 40 40 LEU HA H 40 5.312 5.324 -0.012 17414 5481 1 12 . 1 1 40 40 LEU CA C 40 53.146 53.666 -0.520 17414 5482 1 12 . 1 1 40 40 LEU CB C 40 41.870 43.289 -1.419 17414 5483 1 12 . 1 1 41 41 HIS N N 41 120.175 124.583 -4.408 17414 5484 1 12 . 1 1 41 41 HIS HA H 41 4.622 5.307 -0.685 17414 5485 1 12 . 1 1 41 41 HIS CA C 41 54.675 54.377 0.298 17414 5486 1 12 . 1 1 41 41 HIS CB C 41 35.374 33.447 1.927 17414 5487 1 12 . 1 1 42 42 ALA N N 42 125.084 127.661 -2.577 17414 5488 1 12 . 1 1 42 42 ALA HA H 42 5.530 4.394 1.136 17414 5489 1 12 . 1 1 42 42 ALA CA C 42 50.934 52.164 -1.230 17414 5490 1 12 . 1 1 42 42 ALA CB C 42 18.920 19.403 -0.483 17414 5491 1 12 . 1 1 43 43 ARG N N 43 124.440 121.598 2.842 17414 5492 1 12 . 1 1 43 43 ARG HA H 43 5.177 4.888 0.289 17414 5493 1 12 . 1 1 43 43 ARG CA C 43 50.736 52.742 -2.006 17414 5494 1 12 . 1 1 43 43 ARG CB C 43 35.105 33.124 1.981 17414 5495 1 12 . 1 1 44 44 PRO HA H 44 4.506 4.118 0.388 17414 5496 1 12 . 1 1 44 44 PRO CA C 44 61.661 62.011 -0.350 17414 5497 1 12 . 1 1 44 44 PRO CB C 44 32.437 32.111 0.326 17414 5498 1 12 . 1 1 45 45 VAL N N 45 119.113 120.587 -1.474 17414 5499 1 12 . 1 1 45 45 VAL HA H 45 4.195 4.095 0.100 17414 5500 1 12 . 1 1 45 45 VAL CA C 45 61.770 61.732 0.038 17414 5501 1 12 . 1 1 45 45 VAL CB C 45 32.099 32.360 -0.261 17414 5502 1 12 . 1 1 46 46 VAL N N 46 114.811 119.361 -4.550 17414 5503 1 12 . 1 1 46 46 VAL HA H 46 4.117 4.274 -0.157 17414 5504 1 12 . 1 1 46 46 VAL CA C 46 59.689 60.819 -1.130 17414 5505 1 12 . 1 1 46 46 VAL CB C 46 33.207 33.304 -0.097 17414 5506 1 12 . 1 1 47 47 SER N N 47 113.271 112.341 0.930 17414 5507 1 12 . 1 1 47 47 SER HA H 47 3.992 4.453 -0.461 17414 5508 1 12 . 1 1 47 47 SER CA C 47 56.916 56.497 0.419 17414 5509 1 12 . 1 1 47 47 SER CB C 47 65.285 65.790 -0.505 17414 5510 1 12 . 1 1 48 48 TRP N N 48 120.998 123.265 -2.267 17414 5511 1 12 . 1 1 48 48 TRP HA H 48 4.518 5.326 -0.808 17414 5512 1 12 . 1 1 48 48 TRP CA C 48 58.275 55.794 2.481 17414 5513 1 12 . 1 1 48 48 TRP CB C 48 32.474 31.037 1.437 17414 5514 1 12 . 1 1 49 49 PHE N N 49 120.098 122.317 -2.219 17414 5515 1 12 . 1 1 49 49 PHE HA H 49 5.159 5.100 0.059 17414 5516 1 12 . 1 1 49 49 PHE CA C 49 55.741 56.295 -0.554 17414 5517 1 12 . 1 1 49 49 PHE CB C 49 40.992 43.663 -2.671 17414 5518 1 12 . 1 1 50 50 ASP N N 50 127.259 121.604 5.655 17414 5519 1 12 . 1 1 50 50 ASP HA H 50 4.829 5.437 -0.608 17414 5520 1 12 . 1 1 50 50 ASP CA C 50 53.464 53.249 0.215 17414 5521 1 12 . 1 1 50 50 ASP CB C 50 40.713 42.231 -1.518 17414 5522 1 12 . 1 1 51 51 GLN N N 51 123.758 120.693 3.065 17414 5523 1 12 . 1 1 51 51 GLN HA H 51 4.902 4.580 0.322 17414 5524 1 12 . 1 1 51 51 GLN CA C 51 55.613 55.751 -0.138 17414 5525 1 12 . 1 1 52 52 GLY N N 52 108.682 107.639 1.043 17414 5526 1 12 . 1 1 52 52 GLY CA C 52 44.063 44.632 -0.569 17414 5527 1 12 . 1 1 53 53 THR N N 53 118.925 115.958 2.967 17414 5528 1 12 . 1 1 53 53 THR HA H 53 4.734 4.895 -0.161 17414 5529 1 12 . 1 1 53 53 THR CA C 53 62.734 63.035 -0.301 17414 5530 1 12 . 1 1 53 53 THR CB C 53 67.881 69.667 -1.786 17414 5531 1 12 . 1 1 54 54 ARG N N 54 125.981 123.622 2.359 17414 5532 1 12 . 1 1 54 54 ARG HA H 54 4.677 4.866 -0.189 17414 5533 1 12 . 1 1 54 54 ARG CA C 54 53.580 53.992 -0.412 17414 5534 1 12 . 1 1 54 54 ARG CB C 54 35.619 34.759 0.860 17414 5535 1 12 . 1 1 55 55 ASP N N 55 119.621 120.788 -1.167 17414 5536 1 12 . 1 1 55 55 ASP HA H 55 4.973 5.480 -0.507 17414 5537 1 12 . 1 1 55 55 ASP CA C 55 54.236 53.865 0.371 17414 5538 1 12 . 1 1 55 55 ASP CB C 55 40.704 42.027 -1.323 17414 5539 1 12 . 1 1 56 56 VAL N N 56 114.565 118.702 -4.137 17414 5540 1 12 . 1 1 56 56 VAL HA H 56 4.804 4.968 -0.164 17414 5541 1 12 . 1 1 56 56 VAL CA C 56 58.672 59.437 -0.765 17414 5542 1 12 . 1 1 56 56 VAL CB C 56 34.813 36.039 -1.226 17414 5543 1 12 . 1 1 57 57 ILE N N 57 114.855 120.625 -5.770 17414 5544 1 12 . 1 1 57 57 ILE HA H 57 4.740 5.110 -0.370 17414 5545 1 12 . 1 1 57 57 ILE CA C 57 58.799 59.384 -0.585 17414 5546 1 12 . 1 1 57 57 ILE CB C 57 41.197 40.185 1.012 17414 5547 1 12 . 1 1 58 58 GLY N N 58 107.378 109.263 -1.885 17414 5548 1 12 . 1 1 58 58 GLY CA C 58 43.036 43.168 -0.132 17414 5549 1 12 . 1 1 59 59 LEU N N 59 124.061 125.066 -1.005 17414 5550 1 12 . 1 1 59 59 LEU HA H 59 4.677 4.761 -0.084 17414 5551 1 12 . 1 1 59 59 LEU CA C 59 52.282 53.652 -1.370 17414 5552 1 12 . 1 1 59 59 LEU CB C 59 42.668 42.880 -0.212 17414 5553 1 12 . 1 1 60 60 ARG N N 60 124.178 125.425 -1.247 17414 5554 1 12 . 1 1 60 60 ARG HA H 60 4.799 4.693 0.106 17414 5555 1 12 . 1 1 61 61 ILE N N 61 128.222 128.500 -0.278 17414 5556 1 12 . 1 1 61 61 ILE HA H 61 4.492 4.437 0.055 17414 5557 1 12 . 1 1 61 61 ILE CA C 61 58.741 59.959 -1.218 17414 5558 1 12 . 1 1 61 61 ILE CB C 61 37.622 39.088 -1.466 17414 5559 1 12 . 1 1 62 62 ALA N N 62 128.005 128.528 -0.523 17414 5560 1 12 . 1 1 62 62 ALA HA H 62 4.108 3.952 0.156 17414 5561 1 12 . 1 1 62 62 ALA CA C 62 54.129 53.970 0.159 17414 5562 1 12 . 1 1 62 62 ALA CB C 62 18.002 18.751 -0.749 17414 5563 1 12 . 1 1 63 63 GLY CA C 63 44.912 46.511 -1.599 17414 5564 1 12 . 1 1 64 64 GLY N N 64 107.906 108.069 -0.163 17414 5565 1 12 . 1 1 64 64 GLY CA C 64 44.751 44.010 0.741 17414 5566 1 12 . 1 1 65 65 ALA N N 65 125.759 123.823 1.936 17414 5567 1 12 . 1 1 65 65 ALA HA H 65 4.394 4.800 -0.406 17414 5568 1 12 . 1 1 65 65 ALA CA C 65 51.764 51.148 0.616 17414 5569 1 12 . 1 1 65 65 ALA CB C 65 19.458 20.985 -1.527 17414 5570 1 12 . 1 1 66 66 ILE N N 66 118.136 113.489 4.647 17414 5571 1 12 . 1 1 66 66 ILE HA H 66 4.705 5.299 -0.594 17414 5572 1 12 . 1 1 66 66 ILE CA C 66 59.670 58.900 0.770 17414 5573 1 12 . 1 1 66 66 ILE CB C 66 40.415 41.603 -1.188 17414 5574 1 12 . 1 1 67 67 LEU N N 67 127.715 123.995 3.720 17414 5575 1 12 . 1 1 67 67 LEU HA H 67 4.728 4.939 -0.211 17414 5576 1 12 . 1 1 67 67 LEU CA C 67 53.331 53.188 0.143 17414 5577 1 12 . 1 1 67 67 LEU CB C 67 44.102 44.877 -0.775 17414 5578 1 12 . 1 1 68 68 TRP N N 68 129.332 128.875 0.457 17414 5579 1 12 . 1 1 68 68 TRP HA H 68 5.672 5.401 0.271 17414 5580 1 12 . 1 1 68 68 TRP CA C 68 54.812 55.997 -1.185 17414 5581 1 12 . 1 1 68 68 TRP CB C 68 29.742 29.592 0.150 17414 5582 1 12 . 1 1 69 69 ALA N N 69 124.233 126.135 -1.902 17414 5583 1 12 . 1 1 69 69 ALA HA H 69 5.243 5.292 -0.049 17414 5584 1 12 . 1 1 69 69 ALA CA C 69 49.203 50.644 -1.441 17414 5585 1 12 . 1 1 69 69 ALA CB C 69 22.138 23.702 -1.564 17414 5586 1 12 . 1 1 70 70 THR N N 70 111.459 110.998 0.461 17414 5587 1 12 . 1 1 70 70 THR HA H 70 5.152 4.849 0.303 17414 5588 1 12 . 1 1 70 70 THR CA C 70 60.495 60.344 0.151 17414 5589 1 12 . 1 1 70 70 THR CB C 70 67.570 68.976 -1.406 17414 5590 1 12 . 1 1 71 71 PRO HA H 71 4.165 4.530 -0.365 17414 5591 1 12 . 1 1 71 71 PRO CA C 71 64.390 64.870 -0.480 17414 5592 1 12 . 1 1 72 72 ASP N N 72 112.234 117.246 -5.012 17414 5593 1 12 . 1 1 72 72 ASP HA H 72 4.505 4.781 -0.276 17414 5594 1 12 . 1 1 72 72 ASP CA C 72 52.827 54.265 -1.438 17414 5595 1 12 . 1 1 73 73 HIS N N 73 125.389 121.146 4.243 17414 5596 1 12 . 1 1 73 73 HIS HA H 73 3.796 4.503 -0.707 17414 5597 1 12 . 1 1 73 73 HIS CA C 73 58.310 57.147 1.163 17414 5598 1 12 . 1 1 73 73 HIS CB C 73 32.385 30.682 1.703 17414 5599 1 12 . 1 1 74 74 LYS N N 74 127.412 125.467 1.945 17414 5600 1 12 . 1 1 74 74 LYS HA H 74 4.661 4.627 0.034 17414 5601 1 12 . 1 1 74 74 LYS CA C 74 56.845 56.168 0.677 17414 5602 1 12 . 1 1 75 75 VAL N N 75 125.726 125.778 -0.052 17414 5603 1 12 . 1 1 75 75 VAL HA H 75 4.754 4.808 -0.054 17414 5604 1 12 . 1 1 75 75 VAL CA C 75 60.739 61.575 -0.836 17414 5605 1 12 . 1 1 75 75 VAL CB C 75 35.276 33.802 1.474 17414 5606 1 12 . 1 1 76 76 LEU N N 76 129.759 129.126 0.633 17414 5607 1 12 . 1 1 76 76 LEU HA H 76 3.514 4.449 -0.935 17414 5608 1 12 . 1 1 76 76 LEU CA C 76 55.222 53.916 1.306 17414 5609 1 12 . 1 1 76 76 LEU CB C 76 39.052 43.086 -4.034 17414 5610 1 12 . 1 1 77 77 THR N N 77 116.138 117.381 -1.243 17414 5611 1 12 . 1 1 77 77 THR HA H 77 5.295 4.846 0.449 17414 5612 1 12 . 1 1 77 77 THR CA C 77 59.543 59.918 -0.375 17414 5613 1 12 . 1 1 78 78 GLU N N 78 119.986 119.768 0.218 17414 5614 1 12 . 1 1 78 78 GLU HA H 78 3.558 3.976 -0.418 17414 5615 1 12 . 1 1 78 78 GLU CA C 78 57.551 58.466 -0.915 17414 5616 1 12 . 1 1 78 78 GLU CB C 78 28.385 28.982 -0.597 17414 5617 1 12 . 1 1 79 79 TYR N N 79 117.251 118.797 -1.546 17414 5618 1 12 . 1 1 79 79 TYR HA H 79 4.749 4.522 0.227 17414 5619 1 12 . 1 1 79 79 TYR CA C 79 55.553 58.422 -2.869 17414 5620 1 12 . 1 1 79 79 TYR CB C 79 37.935 39.055 -1.120 17414 5621 1 12 . 1 1 80 80 GLY N N 80 106.884 106.670 0.214 17414 5622 1 12 . 1 1 80 80 GLY CA C 80 42.757 43.962 -1.205 17414 5623 1 12 . 1 1 81 81 TRP N N 81 125.593 122.152 3.441 17414 5624 1 12 . 1 1 81 81 TRP HA H 81 4.884 4.975 -0.091 17414 5625 1 12 . 1 1 81 81 TRP CA C 81 57.790 58.582 -0.792 17414 5626 1 12 . 1 1 81 81 TRP CB C 81 29.255 29.676 -0.421 17414 5627 1 12 . 1 1 82 82 ARG N N 82 124.625 124.821 -0.196 17414 5628 1 12 . 1 1 82 82 ARG HA H 82 4.773 5.064 -0.291 17414 5629 1 12 . 1 1 82 82 ARG CA C 82 53.895 54.366 -0.471 17414 5630 1 12 . 1 1 83 83 ALA N N 83 125.891 128.563 -2.672 17414 5631 1 12 . 1 1 83 83 ALA HA H 83 4.293 4.524 -0.231 17414 5632 1 12 . 1 1 83 83 ALA CA C 83 51.686 52.554 -0.868 17414 5633 1 12 . 1 1 84 84 ALA N N 84 125.790 126.239 -0.449 17414 5634 1 12 . 1 1 84 84 ALA HA H 84 3.930 4.019 -0.089 17414 5635 1 12 . 1 1 84 84 ALA CB C 84 17.269 18.508 -1.239 17414 5636 1 12 . 1 1 85 85 GLY N N 85 102.306 105.074 -2.768 17414 5637 1 12 . 1 1 86 86 GLU N N 86 117.564 118.056 -0.492 17414 5638 1 12 . 1 1 86 86 GLU HA H 86 4.414 4.414 0.000 17414 5639 1 12 . 1 1 86 86 GLU CA C 86 55.233 56.510 -1.277 17414 5640 1 12 . 1 1 86 86 GLU CB C 86 30.231 30.344 -0.113 17414 5641 1 12 . 1 1 87 87 LEU N N 87 119.746 121.580 -1.834 17414 5642 1 12 . 1 1 87 87 LEU HA H 87 4.417 4.263 0.154 17414 5643 1 12 . 1 1 87 87 LEU CA C 87 54.274 54.095 0.179 17414 5644 1 12 . 1 1 87 87 LEU CB C 87 41.471 42.866 -1.395 17414 5645 1 12 . 1 1 88 88 ARG N N 88 120.899 122.033 -1.134 17414 5646 1 12 . 1 1 88 88 ARG HA H 88 4.627 4.913 -0.286 17414 5647 1 12 . 1 1 88 88 ARG CA C 88 52.594 53.887 -1.293 17414 5648 1 12 . 1 1 89 89 LYS N N 89 119.795 124.638 -4.843 17414 5649 1 12 . 1 1 89 89 LYS HA H 89 3.669 4.081 -0.412 17414 5650 1 12 . 1 1 89 89 LYS CA C 89 57.770 57.372 0.398 17414 5651 1 12 . 1 1 90 90 GLY N N 90 115.070 112.446 2.624 17414 5652 1 12 . 1 1 90 90 GLY CA C 90 44.499 45.326 -0.827 17414 5653 1 12 . 1 1 91 91 ASP N N 91 121.652 122.079 -0.427 17414 5654 1 12 . 1 1 91 91 ASP HA H 91 4.716 4.644 0.072 17414 5655 1 12 . 1 1 91 91 ASP CA C 91 55.866 53.847 2.019 17414 5656 1 12 . 1 1 92 92 ARG N N 92 117.826 124.906 -7.080 17414 5657 1 12 . 1 1 92 92 ARG HA H 92 5.241 5.110 0.131 17414 5658 1 12 . 1 1 92 92 ARG CA C 92 54.976 55.347 -0.371 17414 5659 1 12 . 1 1 92 92 ARG CB C 92 31.655 32.411 -0.756 17414 5660 1 12 . 1 1 93 93 VAL N N 93 115.034 118.291 -3.257 17414 5661 1 12 . 1 1 93 93 VAL HA H 93 4.839 4.970 -0.131 17414 5662 1 12 . 1 1 93 93 VAL CA C 93 58.222 58.953 -0.731 17414 5663 1 12 . 1 1 94 94 ALA N N 94 126.192 124.525 1.667 17414 5664 1 12 . 1 1 94 94 ALA HA H 94 4.271 3.783 0.488 17414 5665 1 12 . 1 1 94 94 ALA CA C 94 50.975 51.466 -0.491 17414 5666 1 12 . 1 1 94 94 ALA CB C 94 18.748 18.690 0.058 17414 5667 1 12 . 1 1 95 95 VAL N N 95 115.179 116.415 -1.236 17414 5668 1 12 . 1 1 95 95 VAL HA H 95 5.317 5.122 0.195 17414 5669 1 12 . 1 1 95 95 VAL CA C 95 57.154 58.717 -1.563 17414 5670 1 12 . 1 1 95 95 VAL CB C 95 35.186 35.541 -0.355 17414 5671 1 12 . 1 1 96 96 ARG N N 96 119.288 123.444 -4.156 17414 5672 1 12 . 1 1 96 96 ARG HA H 96 4.230 4.554 -0.324 17414 5673 1 12 . 1 1 96 96 ARG CA C 96 53.613 55.257 -1.644 17414 5674 1 12 . 1 1 96 96 ARG CB C 96 31.697 31.427 0.270 17414 5675 1 12 . 1 1 97 97 ASP N N 97 131.180 125.850 5.330 17414 5676 1 12 . 1 1 97 97 ASP HA H 97 4.415 4.781 -0.366 17414 5677 1 12 . 1 1 97 97 ASP CA C 97 53.887 52.989 0.898 17414 5678 1 12 . 1 1 97 97 ASP CB C 97 42.723 42.041 0.682 17414 5679 1 12 . 1 1 98 98 VAL N N 98 126.152 126.714 -0.562 17414 5680 1 12 . 1 1 98 98 VAL HA H 98 3.489 3.907 -0.418 17414 5681 1 12 . 1 1 98 98 VAL CA C 98 64.431 64.461 -0.030 17414 5682 1 12 . 1 1 98 98 VAL CB C 98 31.047 31.779 -0.732 17414 5683 1 12 . 1 1 99 99 GLU N N 99 118.883 121.704 -2.821 17414 5684 1 12 . 1 1 99 99 GLU HA H 99 4.127 4.053 0.074 17414 5685 1 12 . 1 1 99 99 GLU CA C 99 58.178 59.066 -0.888 17414 5686 1 12 . 1 1 99 99 GLU CB C 99 29.591 29.847 -0.256 17414 5687 1 12 . 1 1 100 100 THR N N 100 106.301 111.876 -5.575 17414 5688 1 12 . 1 1 100 100 THR HA H 100 4.316 4.415 -0.099 17414 5689 1 12 . 1 1 100 100 THR CA C 100 61.407 62.215 -0.808 17414 5690 1 12 . 1 1 100 100 THR CB C 100 70.856 68.960 1.896 17414 5691 1 12 . 1 1 101 101 GLY N N 101 111.204 110.206 0.998 17414 5692 1 12 . 1 1 101 101 GLY CA C 101 45.284 45.523 -0.239 17414 5693 1 12 . 1 1 102 102 GLU N N 102 118.458 120.468 -2.010 17414 5694 1 12 . 1 1 102 102 GLU HA H 102 4.301 4.500 -0.199 17414 5695 1 12 . 1 1 102 102 GLU CA C 102 55.160 55.735 -0.575 17414 5696 1 12 . 1 1 102 102 GLU CB C 102 31.769 31.007 0.762 17414 5697 1 12 . 1 1 103 103 LEU N N 103 121.701 120.317 1.384 17414 5698 1 12 . 1 1 103 103 LEU HA H 103 4.716 4.689 0.027 17414 5699 1 12 . 1 1 103 103 LEU CA C 103 54.930 54.071 0.859 17414 5700 1 12 . 1 1 103 103 LEU CB C 103 42.346 42.934 -0.588 17414 5701 1 12 . 1 1 104 104 ARG N N 104 127.157 119.849 7.308 17414 5702 1 12 . 1 1 104 104 ARG HA H 104 4.403 4.869 -0.466 17414 5703 1 12 . 1 1 104 104 ARG CA C 104 53.201 53.662 -0.461 17414 5704 1 12 . 1 1 104 104 ARG CB C 104 32.989 34.655 -1.666 17414 5705 1 12 . 1 1 105 105 TYR N N 105 116.202 119.099 -2.897 17414 5706 1 12 . 1 1 105 105 TYR HA H 105 5.490 5.481 0.009 17414 5707 1 12 . 1 1 105 105 TYR CA C 105 56.831 57.039 -0.208 17414 5708 1 12 . 1 1 105 105 TYR CB C 105 40.116 41.307 -1.191 17414 5709 1 12 . 1 1 106 106 SER N N 106 118.250 115.457 2.793 17414 5710 1 12 . 1 1 106 106 SER HA H 106 4.807 5.160 -0.353 17414 5711 1 12 . 1 1 106 106 SER CA C 106 55.888 57.479 -1.591 17414 5712 1 12 . 1 1 106 106 SER CB C 106 66.301 66.925 -0.624 17414 5713 1 12 . 1 1 107 107 VAL N N 107 122.160 117.752 4.408 17414 5714 1 12 . 1 1 107 107 VAL HA H 107 4.423 4.673 -0.250 17414 5715 1 12 . 1 1 107 107 VAL CA C 107 61.369 60.530 0.839 17414 5716 1 12 . 1 1 107 107 VAL CB C 107 33.633 33.366 0.267 17414 5717 1 12 . 1 1 108 108 ILE N N 108 123.427 124.769 -1.342 17414 5718 1 12 . 1 1 108 108 ILE HA H 108 4.100 4.186 -0.086 17414 5719 1 12 . 1 1 108 108 ILE CA C 108 61.321 61.568 -0.247 17414 5720 1 12 . 1 1 108 108 ILE CB C 108 37.408 38.115 -0.707 17414 5721 1 12 . 1 1 109 109 ARG N N 109 130.207 126.345 3.862 17414 5722 1 12 . 1 1 109 109 ARG HA H 109 4.254 4.432 -0.178 17414 5723 1 12 . 1 1 109 109 ARG CA C 109 55.904 57.136 -1.232 17414 5724 1 12 . 1 1 110 110 GLU N N 110 116.804 117.706 -0.902 17414 5725 1 12 . 1 1 110 110 GLU HA H 110 4.274 4.646 -0.372 17414 5726 1 12 . 1 1 110 110 GLU CA C 110 55.889 56.215 -0.326 17414 5727 1 12 . 1 1 110 110 GLU CB C 110 33.186 33.626 -0.440 17414 5728 1 12 . 1 1 111 111 VAL N N 111 125.709 127.116 -1.407 17414 5729 1 12 . 1 1 111 111 VAL HA H 111 4.709 4.434 0.275 17414 5730 1 12 . 1 1 111 111 VAL CA C 111 60.903 61.969 -1.066 17414 5731 1 12 . 1 1 111 111 VAL CB C 111 31.927 32.568 -0.641 17414 5732 1 12 . 1 1 112 112 LEU N N 112 132.638 128.614 4.024 17414 5733 1 12 . 1 1 112 112 LEU HA H 112 4.741 4.815 -0.074 17414 5734 1 12 . 1 1 112 112 LEU CA C 112 52.655 51.695 0.960 17414 5735 1 12 . 1 1 112 112 LEU CB C 112 40.998 42.841 -1.843 17414 5736 1 12 . 1 1 113 113 PRO HA H 113 4.532 4.644 -0.112 17414 5737 1 12 . 1 1 113 113 PRO CA C 113 61.916 62.314 -0.398 17414 5738 1 12 . 1 1 113 113 PRO CB C 113 32.608 32.406 0.202 17414 5739 1 12 . 1 1 114 114 THR N N 114 112.542 112.617 -0.075 17414 5740 1 12 . 1 1 114 114 THR HA H 114 4.973 4.769 0.204 17414 5741 1 12 . 1 1 114 114 THR CA C 114 61.865 61.150 0.715 17414 5742 1 12 . 1 1 114 114 THR CB C 114 69.345 70.442 -1.097 17414 5743 1 12 . 1 1 115 115 ARG N N 115 123.213 119.938 3.275 17414 5744 1 12 . 1 1 115 115 ARG HA H 115 4.694 4.903 -0.209 17414 5745 1 12 . 1 1 115 115 ARG CA C 115 54.302 54.069 0.233 17414 5746 1 12 . 1 1 115 115 ARG CB C 115 32.684 33.688 -1.004 17414 5747 1 12 . 1 1 116 116 ARG N N 116 119.004 119.814 -0.810 17414 5748 1 12 . 1 1 116 116 ARG HA H 116 4.879 5.287 -0.408 17414 5749 1 12 . 1 1 116 116 ARG CA C 116 54.554 54.528 0.026 17414 5750 1 12 . 1 1 116 116 ARG CB C 116 30.285 33.936 -3.651 17414 5751 1 12 . 1 1 117 117 ALA N N 117 124.834 122.685 2.149 17414 5752 1 12 . 1 1 117 117 ALA HA H 117 4.599 4.685 -0.086 17414 5753 1 12 . 1 1 117 117 ALA CA C 117 50.434 50.888 -0.454 17414 5754 1 12 . 1 1 117 117 ALA CB C 117 23.139 22.880 0.259 17414 5755 1 12 . 1 1 118 118 ARG N N 118 120.885 119.145 1.740 17414 5756 1 12 . 1 1 118 118 ARG HA H 118 3.925 4.535 -0.610 17414 5757 1 12 . 1 1 118 118 ARG CA C 118 57.559 56.322 1.237 17414 5758 1 12 . 1 1 118 118 ARG CB C 118 30.409 30.992 -0.583 17414 5759 1 12 . 1 1 119 119 THR N N 119 111.492 113.322 -1.830 17414 5760 1 12 . 1 1 119 119 THR HA H 119 5.309 5.399 -0.090 17414 5761 1 12 . 1 1 119 119 THR CA C 119 60.071 59.296 0.775 17414 5762 1 12 . 1 1 119 119 THR CB C 119 72.737 71.602 1.135 17414 5763 1 12 . 1 1 120 120 PHE N N 120 113.949 120.134 -6.185 17414 5764 1 12 . 1 1 120 120 PHE HA H 120 5.311 5.266 0.045 17414 5765 1 12 . 1 1 120 120 PHE CA C 120 57.898 56.128 1.770 17414 5766 1 12 . 1 1 120 120 PHE CB C 120 46.203 43.791 2.412 17414 5767 1 12 . 1 1 121 121 ASP N N 121 118.841 119.395 -0.554 17414 5768 1 12 . 1 1 121 121 ASP HA H 121 5.352 5.514 -0.162 17414 5769 1 12 . 1 1 121 121 ASP CA C 121 55.227 53.308 1.919 17414 5770 1 12 . 1 1 121 121 ASP CB C 121 47.673 43.928 3.745 17414 5771 1 12 . 1 1 122 122 LEU N N 122 118.637 125.548 -6.911 17414 5772 1 12 . 1 1 122 122 LEU HA H 122 4.809 5.166 -0.357 17414 5773 1 12 . 1 1 122 122 LEU CB C 122 45.915 43.988 1.927 17414 5774 1 12 . 1 1 123 123 GLU N N 123 118.694 125.234 -6.540 17414 5775 1 12 . 1 1 123 123 GLU HA H 123 4.515 4.519 -0.004 17414 5776 1 12 . 1 1 123 123 GLU CA C 123 54.697 56.056 -1.359 17414 5777 1 12 . 1 1 124 124 VAL N N 124 129.259 126.042 3.217 17414 5778 1 12 . 1 1 124 124 VAL HA H 124 4.065 4.406 -0.341 17414 5779 1 12 . 1 1 124 124 VAL CA C 124 61.193 61.045 0.148 17414 5780 1 12 . 1 1 124 124 VAL CB C 124 33.607 33.610 -0.003 17414 5781 1 12 . 1 1 125 125 GLU N N 125 128.432 128.139 0.293 17414 5782 1 12 . 1 1 125 125 GLU HA H 125 3.672 4.086 -0.414 17414 5783 1 12 . 1 1 125 125 GLU CA C 125 58.494 60.237 -1.743 17414 5784 1 12 . 1 1 125 125 GLU CB C 125 30.552 29.640 0.912 17414 5785 1 12 . 1 1 126 126 GLU N N 126 120.993 119.052 1.941 17414 5786 1 12 . 1 1 126 126 GLU HA H 126 3.570 4.591 -1.021 17414 5787 1 12 . 1 1 126 126 GLU CA C 126 61.229 57.295 3.934 17414 5788 1 12 . 1 1 126 126 GLU CB C 126 29.621 32.751 -3.130 17414 5789 1 12 . 1 1 127 127 LEU N N 127 120.945 121.866 -0.921 17414 5790 1 12 . 1 1 127 127 LEU HA H 127 4.205 4.441 -0.236 17414 5791 1 12 . 1 1 127 127 LEU CA C 127 55.681 53.969 1.712 17414 5792 1 12 . 1 1 128 128 HIS HA H 128 4.584 4.415 0.169 17414 5793 1 12 . 1 1 128 128 HIS CA C 128 54.566 56.289 -1.723 17414 5794 1 12 . 1 1 128 128 HIS CB C 128 26.062 28.887 -2.825 17414 5795 1 12 . 1 1 129 129 THR N N 129 105.639 113.952 -8.313 17414 5796 1 12 . 1 1 129 129 THR HA H 129 4.899 4.908 -0.009 17414 5797 1 12 . 1 1 129 129 THR CA C 129 58.380 60.989 -2.609 17414 5798 1 12 . 1 1 129 129 THR CB C 129 72.980 71.072 1.908 17414 5799 1 12 . 1 1 130 130 LEU N N 130 111.598 120.886 -9.288 17414 5800 1 12 . 1 1 130 130 LEU HA H 130 5.537 5.280 0.257 17414 5801 1 12 . 1 1 130 130 LEU CA C 130 54.683 53.761 0.922 17414 5802 1 12 . 1 1 130 130 LEU CB C 130 44.277 45.214 -0.937 17414 5803 1 12 . 1 1 131 131 VAL N N 131 119.670 121.265 -1.595 17414 5804 1 12 . 1 1 131 131 VAL HA H 131 4.830 4.784 0.046 17414 5805 1 12 . 1 1 131 131 VAL CA C 131 61.285 62.752 -1.467 17414 5806 1 12 . 1 1 131 131 VAL CB C 131 30.272 31.614 -1.342 17414 5807 1 12 . 1 1 132 132 ALA N N 132 134.824 128.708 6.116 17414 5808 1 12 . 1 1 132 132 ALA HA H 132 4.931 4.904 0.027 17414 5809 1 12 . 1 1 132 132 ALA CA C 132 49.999 50.677 -0.678 17414 5810 1 12 . 1 1 132 132 ALA CB C 132 21.422 21.670 -0.248 17414 5811 1 12 . 1 1 133 133 GLU N N 133 118.979 125.026 -6.047 17414 5812 1 12 . 1 1 133 133 GLU HA H 133 3.826 4.065 -0.239 17414 5813 1 12 . 1 1 133 133 GLU CA C 133 57.065 57.743 -0.678 17414 5814 1 12 . 1 1 133 133 GLU CB C 133 26.406 28.333 -1.927 17414 5815 1 12 . 1 1 134 134 GLY N N 134 100.017 104.341 -4.324 17414 5816 1 12 . 1 1 134 134 GLY CA C 134 45.352 46.205 -0.853 17414 5817 1 12 . 1 1 135 135 VAL N N 135 122.381 119.862 2.519 17414 5818 1 12 . 1 1 135 135 VAL HA H 135 4.560 4.742 -0.182 17414 5819 1 12 . 1 1 135 135 VAL CA C 135 60.885 60.370 0.515 17414 5820 1 12 . 1 1 135 135 VAL CB C 135 32.542 35.302 -2.760 17414 5821 1 12 . 1 1 136 136 VAL N N 136 126.302 126.035 0.267 17414 5822 1 12 . 1 1 136 136 VAL HA H 136 4.254 4.803 -0.549 17414 5823 1 12 . 1 1 136 136 VAL CA C 136 63.608 61.535 2.073 17414 5824 1 12 . 1 1 136 136 VAL CB C 136 30.519 32.945 -2.426 17414 5825 1 12 . 1 1 137 137 VAL N N 137 118.757 120.995 -2.238 17414 5826 1 12 . 1 1 137 137 VAL HA H 137 5.743 5.219 0.524 17414 5827 1 12 . 1 1 137 137 VAL CA C 137 58.252 59.743 -1.491 17414 5828 1 12 . 1 1 137 137 VAL CB C 137 36.378 35.863 0.515 17414 5829 1 12 . 1 1 138 138 HIS N N 138 120.902 123.897 -2.995 17414 5830 1 12 . 1 1 138 138 HIS HA H 138 4.434 4.240 0.194 17414 5831 1 12 . 1 1 138 138 HIS CA C 138 56.439 57.369 -0.930 17414 5832 1 12 . 1 1 138 138 HIS CB C 138 30.583 30.170 0.413 17414 5833 1 13 . 1 1 2 2 LEU N N 2 122.945 123.280 -0.335 17414 5834 1 13 . 1 1 2 2 LEU HA H 2 5.005 4.995 0.010 17414 5835 1 13 . 1 1 2 2 LEU CA C 2 53.355 53.659 -0.304 17414 5836 1 13 . 1 1 2 2 LEU CB C 2 43.858 43.960 -0.102 17414 5837 1 13 . 1 1 3 3 ALA N N 3 121.232 127.057 -5.825 17414 5838 1 13 . 1 1 3 3 ALA HA H 3 4.730 4.715 0.015 17414 5839 1 13 . 1 1 3 3 ALA CA C 3 52.302 51.791 0.511 17414 5840 1 13 . 1 1 3 3 ALA CB C 3 21.769 19.791 1.978 17414 5841 1 13 . 1 1 4 4 GLU N N 4 121.283 121.678 -0.395 17414 5842 1 13 . 1 1 4 4 GLU HA H 4 4.074 4.021 0.053 17414 5843 1 13 . 1 1 4 4 GLU CA C 4 57.136 58.519 -1.383 17414 5844 1 13 . 1 1 4 4 GLU CB C 4 31.847 29.541 2.306 17414 5845 1 13 . 1 1 5 5 GLY N N 5 119.858 115.082 4.776 17414 5846 1 13 . 1 1 5 5 GLY CA C 5 44.157 45.165 -1.008 17414 5847 1 13 . 1 1 6 6 THR N N 6 117.099 116.649 0.450 17414 5848 1 13 . 1 1 6 6 THR HA H 6 4.301 4.233 0.068 17414 5849 1 13 . 1 1 6 6 THR CA C 6 65.228 63.867 1.361 17414 5850 1 13 . 1 1 6 6 THR CB C 6 68.654 69.145 -0.491 17414 5851 1 13 . 1 1 7 7 ARG N N 7 130.107 127.329 2.778 17414 5852 1 13 . 1 1 7 7 ARG HA H 7 4.878 4.749 0.129 17414 5853 1 13 . 1 1 7 7 ARG CA C 7 55.868 55.910 -0.042 17414 5854 1 13 . 1 1 8 8 ILE N N 8 123.872 121.945 1.927 17414 5855 1 13 . 1 1 8 8 ILE HA H 8 4.531 4.679 -0.148 17414 5856 1 13 . 1 1 8 8 ILE CA C 8 59.240 60.482 -1.242 17414 5857 1 13 . 1 1 8 8 ILE CB C 8 40.450 40.503 -0.053 17414 5858 1 13 . 1 1 9 9 PHE N N 9 129.317 129.546 -0.229 17414 5859 1 13 . 1 1 9 9 PHE HA H 9 4.832 4.953 -0.121 17414 5860 1 13 . 1 1 9 9 PHE CA C 9 56.960 58.233 -1.273 17414 5861 1 13 . 1 1 9 9 PHE CB C 9 40.542 40.167 0.375 17414 5862 1 13 . 1 1 10 10 ASP N N 10 128.073 127.040 1.033 17414 5863 1 13 . 1 1 10 10 ASP HA H 10 5.529 4.935 0.594 17414 5864 1 13 . 1 1 10 10 ASP CA C 10 49.160 49.829 -0.669 17414 5865 1 13 . 1 1 10 10 ASP CB C 10 43.037 42.517 0.520 17414 5866 1 13 . 1 1 11 11 PRO HA H 11 3.974 4.388 -0.414 17414 5867 1 13 . 1 1 11 11 PRO CA C 11 62.348 64.670 -2.322 17414 5868 1 13 . 1 1 11 11 PRO CB C 11 30.977 32.226 -1.249 17414 5869 1 13 . 1 1 12 12 VAL N N 12 124.105 116.617 7.488 17414 5870 1 13 . 1 1 12 12 VAL HA H 12 3.591 3.759 -0.168 17414 5871 1 13 . 1 1 12 12 VAL CA C 12 64.849 65.635 -0.786 17414 5872 1 13 . 1 1 13 13 THR N N 13 107.133 109.251 -2.118 17414 5873 1 13 . 1 1 13 13 THR HA H 13 4.228 4.298 -0.070 17414 5874 1 13 . 1 1 13 13 THR CA C 13 60.944 62.644 -1.700 17414 5875 1 13 . 1 1 13 13 THR CB C 13 69.447 70.350 -0.903 17414 5876 1 13 . 1 1 14 14 GLY N N 14 112.897 111.697 1.200 17414 5877 1 13 . 1 1 14 14 GLY CA C 14 45.650 45.681 -0.031 17414 5878 1 13 . 1 1 15 15 THR N N 15 117.286 115.640 1.646 17414 5879 1 13 . 1 1 15 15 THR HA H 15 4.276 4.755 -0.479 17414 5880 1 13 . 1 1 15 15 THR CA C 15 61.382 60.734 0.648 17414 5881 1 13 . 1 1 15 15 THR CB C 15 70.037 71.355 -1.318 17414 5882 1 13 . 1 1 16 16 THR N N 16 120.518 117.436 3.082 17414 5883 1 13 . 1 1 16 16 THR HA H 16 4.911 4.740 0.171 17414 5884 1 13 . 1 1 16 16 THR CA C 16 62.321 61.682 0.639 17414 5885 1 13 . 1 1 16 16 THR CB C 16 69.184 69.502 -0.318 17414 5886 1 13 . 1 1 17 17 HIS N N 17 127.011 125.909 1.102 17414 5887 1 13 . 1 1 17 17 HIS HA H 17 4.586 5.115 -0.529 17414 5888 1 13 . 1 1 17 17 HIS CA C 17 54.406 54.517 -0.111 17414 5889 1 13 . 1 1 17 17 HIS CB C 17 35.299 32.339 2.960 17414 5890 1 13 . 1 1 18 18 ARG N N 18 120.890 121.614 -0.724 17414 5891 1 13 . 1 1 18 18 ARG HA H 18 4.679 4.489 0.190 17414 5892 1 13 . 1 1 18 18 ARG CA C 18 54.802 55.143 -0.341 17414 5893 1 13 . 1 1 18 18 ARG CB C 18 29.657 31.783 -2.126 17414 5894 1 13 . 1 1 19 19 ILE N N 19 125.005 126.513 -1.508 17414 5895 1 13 . 1 1 19 19 ILE HA H 19 3.696 3.869 -0.173 17414 5896 1 13 . 1 1 19 19 ILE CA C 19 66.021 63.978 2.043 17414 5897 1 13 . 1 1 19 19 ILE CB C 19 37.936 37.734 0.202 17414 5898 1 13 . 1 1 20 20 GLU N N 20 123.813 119.252 4.561 17414 5899 1 13 . 1 1 20 20 GLU HA H 20 2.787 3.526 -0.739 17414 5900 1 13 . 1 1 20 20 GLU CA C 20 57.675 58.792 -1.117 17414 5901 1 13 . 1 1 20 20 GLU CB C 20 28.945 28.947 -0.002 17414 5902 1 13 . 1 1 21 21 ASP N N 21 123.330 120.729 2.601 17414 5903 1 13 . 1 1 21 21 ASP HA H 21 4.489 4.328 0.161 17414 5904 1 13 . 1 1 21 21 ASP CA C 21 55.734 56.488 -0.754 17414 5905 1 13 . 1 1 21 21 ASP CB C 21 40.038 40.679 -0.641 17414 5906 1 13 . 1 1 22 22 VAL N N 22 121.407 119.681 1.726 17414 5907 1 13 . 1 1 22 22 VAL HA H 22 3.303 3.458 -0.155 17414 5908 1 13 . 1 1 22 22 VAL CA C 22 65.768 66.438 -0.670 17414 5909 1 13 . 1 1 22 22 VAL CB C 22 31.327 31.512 -0.185 17414 5910 1 13 . 1 1 23 23 VAL N N 23 116.800 120.375 -3.575 17414 5911 1 13 . 1 1 23 23 VAL HA H 23 3.928 3.713 0.215 17414 5912 1 13 . 1 1 23 23 VAL CA C 23 66.310 66.399 -0.089 17414 5913 1 13 . 1 1 24 24 GLY N N 24 120.577 108.297 12.280 17414 5914 1 13 . 1 1 25 25 GLY N N 25 103.034 108.129 -5.095 17414 5915 1 13 . 1 1 25 25 GLY CA C 25 43.755 44.753 -0.998 17414 5916 1 13 . 1 1 26 26 ARG N N 26 122.306 114.525 7.781 17414 5917 1 13 . 1 1 26 26 ARG HA H 26 1.544 2.571 -1.027 17414 5918 1 13 . 1 1 26 26 ARG CA C 26 55.119 55.975 -0.856 17414 5919 1 13 . 1 1 26 26 ARG CB C 26 26.620 27.411 -0.791 17414 5920 1 13 . 1 1 27 27 LYS N N 27 115.887 119.532 -3.645 17414 5921 1 13 . 1 1 27 27 LYS HA H 27 4.168 4.216 -0.048 17414 5922 1 13 . 1 1 27 27 LYS CB C 27 33.503 32.704 0.799 17414 5923 1 13 . 1 1 28 28 PRO HA H 28 5.145 4.916 0.229 17414 5924 1 13 . 1 1 28 28 PRO CA C 28 61.507 62.524 -1.017 17414 5925 1 13 . 1 1 28 28 PRO CB C 28 27.787 30.094 -2.307 17414 5926 1 13 . 1 1 29 29 ILE N N 29 116.657 117.827 -1.170 17414 5927 1 13 . 1 1 29 29 ILE HA H 29 4.443 4.802 -0.359 17414 5928 1 13 . 1 1 29 29 ILE CA C 29 60.723 58.948 1.775 17414 5929 1 13 . 1 1 29 29 ILE CB C 29 38.563 40.635 -2.072 17414 5930 1 13 . 1 1 30 30 HIS N N 30 118.274 120.062 -1.788 17414 5931 1 13 . 1 1 30 30 HIS HA H 30 5.152 5.654 -0.502 17414 5932 1 13 . 1 1 30 30 HIS CA C 30 55.902 53.171 2.731 17414 5933 1 13 . 1 1 30 30 HIS CB C 30 30.925 31.758 -0.833 17414 5934 1 13 . 1 1 31 31 VAL N N 31 107.262 120.760 -13.498 17414 5935 1 13 . 1 1 31 31 VAL HA H 31 5.212 4.814 0.398 17414 5936 1 13 . 1 1 31 31 VAL CA C 31 57.692 60.031 -2.339 17414 5937 1 13 . 1 1 31 31 VAL CB C 31 34.153 33.944 0.209 17414 5938 1 13 . 1 1 32 32 VAL N N 32 119.900 122.573 -2.673 17414 5939 1 13 . 1 1 32 32 VAL HA H 32 4.246 4.726 -0.480 17414 5940 1 13 . 1 1 32 32 VAL CA C 32 62.504 61.742 0.762 17414 5941 1 13 . 1 1 33 33 ALA N N 33 128.967 129.785 -0.818 17414 5942 1 13 . 1 1 33 33 ALA HA H 33 4.522 5.239 -0.717 17414 5943 1 13 . 1 1 33 33 ALA CA C 33 49.594 50.635 -1.041 17414 5944 1 13 . 1 1 33 33 ALA CB C 33 23.635 22.346 1.289 17414 5945 1 13 . 1 1 34 34 ALA N N 34 121.236 120.883 0.353 17414 5946 1 13 . 1 1 34 34 ALA HA H 34 5.207 5.302 -0.095 17414 5947 1 13 . 1 1 34 34 ALA CA C 34 49.704 50.601 -0.897 17414 5948 1 13 . 1 1 35 35 ALA N N 35 125.943 124.766 1.177 17414 5949 1 13 . 1 1 35 35 ALA HA H 35 4.633 4.799 -0.166 17414 5950 1 13 . 1 1 35 35 ALA CA C 35 50.168 49.972 0.196 17414 5951 1 13 . 1 1 35 35 ALA CB C 35 20.121 21.865 -1.744 17414 5952 1 13 . 1 1 36 36 LYS N N 36 121.159 118.224 2.935 17414 5953 1 13 . 1 1 36 36 LYS HA H 36 4.272 4.167 0.105 17414 5954 1 13 . 1 1 36 36 LYS CA C 36 58.723 58.636 0.087 17414 5955 1 13 . 1 1 37 37 ASP N N 37 115.815 117.535 -1.720 17414 5956 1 13 . 1 1 37 37 ASP HA H 37 4.526 4.722 -0.196 17414 5957 1 13 . 1 1 37 37 ASP CA C 37 52.534 54.095 -1.561 17414 5958 1 13 . 1 1 37 37 ASP CB C 37 39.654 41.457 -1.803 17414 5959 1 13 . 1 1 38 38 GLY N N 38 107.649 107.785 -0.136 17414 5960 1 13 . 1 1 38 38 GLY CA C 38 45.025 45.672 -0.647 17414 5961 1 13 . 1 1 39 39 THR N N 39 110.428 113.293 -2.865 17414 5962 1 13 . 1 1 39 39 THR HA H 39 4.265 4.409 -0.144 17414 5963 1 13 . 1 1 39 39 THR CA C 39 60.883 60.986 -0.103 17414 5964 1 13 . 1 1 39 39 THR CB C 39 70.144 70.474 -0.330 17414 5965 1 13 . 1 1 40 40 LEU N N 40 120.829 125.632 -4.803 17414 5966 1 13 . 1 1 40 40 LEU HA H 40 5.312 5.566 -0.254 17414 5967 1 13 . 1 1 40 40 LEU CA C 40 53.146 53.802 -0.656 17414 5968 1 13 . 1 1 40 40 LEU CB C 40 41.870 44.020 -2.150 17414 5969 1 13 . 1 1 41 41 HIS N N 41 120.175 120.208 -0.033 17414 5970 1 13 . 1 1 41 41 HIS HA H 41 4.622 4.967 -0.345 17414 5971 1 13 . 1 1 41 41 HIS CA C 41 54.675 54.691 -0.016 17414 5972 1 13 . 1 1 41 41 HIS CB C 41 35.374 33.410 1.964 17414 5973 1 13 . 1 1 42 42 ALA N N 42 125.084 125.633 -0.549 17414 5974 1 13 . 1 1 42 42 ALA HA H 42 5.530 4.519 1.011 17414 5975 1 13 . 1 1 42 42 ALA CA C 42 50.934 52.242 -1.308 17414 5976 1 13 . 1 1 42 42 ALA CB C 42 18.920 19.737 -0.817 17414 5977 1 13 . 1 1 43 43 ARG N N 43 124.440 121.001 3.439 17414 5978 1 13 . 1 1 43 43 ARG HA H 43 5.177 4.579 0.598 17414 5979 1 13 . 1 1 43 43 ARG CA C 43 50.736 52.396 -1.660 17414 5980 1 13 . 1 1 43 43 ARG CB C 43 35.105 33.265 1.840 17414 5981 1 13 . 1 1 44 44 PRO HA H 44 4.506 5.125 -0.619 17414 5982 1 13 . 1 1 44 44 PRO CA C 44 61.661 62.384 -0.723 17414 5983 1 13 . 1 1 44 44 PRO CB C 44 32.437 32.580 -0.143 17414 5984 1 13 . 1 1 45 45 VAL N N 45 119.113 120.463 -1.350 17414 5985 1 13 . 1 1 45 45 VAL HA H 45 4.195 4.365 -0.170 17414 5986 1 13 . 1 1 45 45 VAL CA C 45 61.770 61.613 0.157 17414 5987 1 13 . 1 1 45 45 VAL CB C 45 32.099 33.376 -1.277 17414 5988 1 13 . 1 1 46 46 VAL N N 46 114.811 119.540 -4.729 17414 5989 1 13 . 1 1 46 46 VAL HA H 46 4.117 4.367 -0.250 17414 5990 1 13 . 1 1 46 46 VAL CA C 46 59.689 60.708 -1.019 17414 5991 1 13 . 1 1 46 46 VAL CB C 46 33.207 33.249 -0.042 17414 5992 1 13 . 1 1 47 47 SER N N 47 113.271 113.294 -0.023 17414 5993 1 13 . 1 1 47 47 SER HA H 47 3.992 4.136 -0.144 17414 5994 1 13 . 1 1 47 47 SER CA C 47 56.916 56.408 0.508 17414 5995 1 13 . 1 1 47 47 SER CB C 47 65.285 65.044 0.241 17414 5996 1 13 . 1 1 48 48 TRP N N 48 120.998 124.641 -3.643 17414 5997 1 13 . 1 1 48 48 TRP HA H 48 4.518 5.140 -0.622 17414 5998 1 13 . 1 1 48 48 TRP CA C 48 58.275 56.123 2.152 17414 5999 1 13 . 1 1 48 48 TRP CB C 48 32.474 33.059 -0.585 17414 6000 1 13 . 1 1 49 49 PHE N N 49 120.098 121.738 -1.640 17414 6001 1 13 . 1 1 49 49 PHE HA H 49 5.159 5.047 0.112 17414 6002 1 13 . 1 1 49 49 PHE CA C 49 55.741 56.280 -0.539 17414 6003 1 13 . 1 1 49 49 PHE CB C 49 40.992 43.207 -2.215 17414 6004 1 13 . 1 1 50 50 ASP N N 50 127.259 121.543 5.716 17414 6005 1 13 . 1 1 50 50 ASP HA H 50 4.829 4.811 0.018 17414 6006 1 13 . 1 1 50 50 ASP CA C 50 53.464 53.570 -0.106 17414 6007 1 13 . 1 1 50 50 ASP CB C 50 40.713 41.563 -0.850 17414 6008 1 13 . 1 1 51 51 GLN N N 51 123.758 121.377 2.381 17414 6009 1 13 . 1 1 51 51 GLN HA H 51 4.902 4.493 0.409 17414 6010 1 13 . 1 1 51 51 GLN CA C 51 55.613 55.613 0.000 17414 6011 1 13 . 1 1 52 52 GLY N N 52 108.682 107.688 0.994 17414 6012 1 13 . 1 1 52 52 GLY CA C 52 44.063 44.423 -0.360 17414 6013 1 13 . 1 1 53 53 THR N N 53 118.925 115.856 3.069 17414 6014 1 13 . 1 1 53 53 THR HA H 53 4.734 4.765 -0.031 17414 6015 1 13 . 1 1 53 53 THR CA C 53 62.734 63.270 -0.536 17414 6016 1 13 . 1 1 53 53 THR CB C 53 67.881 69.442 -1.561 17414 6017 1 13 . 1 1 54 54 ARG N N 54 125.981 124.652 1.329 17414 6018 1 13 . 1 1 54 54 ARG HA H 54 4.677 4.904 -0.227 17414 6019 1 13 . 1 1 54 54 ARG CA C 54 53.580 54.050 -0.470 17414 6020 1 13 . 1 1 54 54 ARG CB C 54 35.619 34.593 1.026 17414 6021 1 13 . 1 1 55 55 ASP N N 55 119.621 120.873 -1.252 17414 6022 1 13 . 1 1 55 55 ASP HA H 55 4.973 5.213 -0.240 17414 6023 1 13 . 1 1 55 55 ASP CA C 55 54.236 54.291 -0.055 17414 6024 1 13 . 1 1 55 55 ASP CB C 55 40.704 41.604 -0.900 17414 6025 1 13 . 1 1 56 56 VAL N N 56 114.565 118.112 -3.547 17414 6026 1 13 . 1 1 56 56 VAL HA H 56 4.804 4.987 -0.183 17414 6027 1 13 . 1 1 56 56 VAL CA C 56 58.672 59.435 -0.763 17414 6028 1 13 . 1 1 56 56 VAL CB C 56 34.813 36.034 -1.221 17414 6029 1 13 . 1 1 57 57 ILE N N 57 114.855 122.755 -7.900 17414 6030 1 13 . 1 1 57 57 ILE HA H 57 4.740 5.069 -0.329 17414 6031 1 13 . 1 1 57 57 ILE CA C 57 58.799 59.471 -0.672 17414 6032 1 13 . 1 1 57 57 ILE CB C 57 41.197 39.919 1.278 17414 6033 1 13 . 1 1 58 58 GLY N N 58 107.378 109.423 -2.045 17414 6034 1 13 . 1 1 58 58 GLY CA C 58 43.036 43.624 -0.588 17414 6035 1 13 . 1 1 59 59 LEU N N 59 124.061 125.613 -1.552 17414 6036 1 13 . 1 1 59 59 LEU HA H 59 4.677 4.789 -0.112 17414 6037 1 13 . 1 1 59 59 LEU CA C 59 52.282 53.760 -1.478 17414 6038 1 13 . 1 1 59 59 LEU CB C 59 42.668 42.667 0.001 17414 6039 1 13 . 1 1 60 60 ARG N N 60 124.178 125.113 -0.935 17414 6040 1 13 . 1 1 60 60 ARG HA H 60 4.799 4.618 0.181 17414 6041 1 13 . 1 1 61 61 ILE N N 61 128.222 128.023 0.199 17414 6042 1 13 . 1 1 61 61 ILE HA H 61 4.492 4.478 0.014 17414 6043 1 13 . 1 1 61 61 ILE CA C 61 58.741 60.152 -1.411 17414 6044 1 13 . 1 1 61 61 ILE CB C 61 37.622 38.611 -0.989 17414 6045 1 13 . 1 1 62 62 ALA N N 62 128.005 131.888 -3.883 17414 6046 1 13 . 1 1 62 62 ALA HA H 62 4.108 3.998 0.110 17414 6047 1 13 . 1 1 62 62 ALA CA C 62 54.129 53.373 0.756 17414 6048 1 13 . 1 1 62 62 ALA CB C 62 18.002 17.929 0.073 17414 6049 1 13 . 1 1 63 63 GLY CA C 63 44.912 45.520 -0.608 17414 6050 1 13 . 1 1 64 64 GLY N N 64 107.906 108.229 -0.323 17414 6051 1 13 . 1 1 64 64 GLY CA C 64 44.751 46.108 -1.357 17414 6052 1 13 . 1 1 65 65 ALA N N 65 125.759 124.016 1.743 17414 6053 1 13 . 1 1 65 65 ALA HA H 65 4.394 4.636 -0.242 17414 6054 1 13 . 1 1 65 65 ALA CA C 65 51.764 51.349 0.415 17414 6055 1 13 . 1 1 65 65 ALA CB C 65 19.458 21.067 -1.609 17414 6056 1 13 . 1 1 66 66 ILE N N 66 118.136 119.410 -1.274 17414 6057 1 13 . 1 1 66 66 ILE HA H 66 4.705 4.918 -0.213 17414 6058 1 13 . 1 1 66 66 ILE CA C 66 59.670 59.312 0.358 17414 6059 1 13 . 1 1 66 66 ILE CB C 66 40.415 42.235 -1.820 17414 6060 1 13 . 1 1 67 67 LEU N N 67 127.715 126.720 0.995 17414 6061 1 13 . 1 1 67 67 LEU HA H 67 4.728 4.946 -0.218 17414 6062 1 13 . 1 1 67 67 LEU CA C 67 53.331 53.541 -0.210 17414 6063 1 13 . 1 1 67 67 LEU CB C 67 44.102 45.686 -1.584 17414 6064 1 13 . 1 1 68 68 TRP N N 68 129.332 128.286 1.046 17414 6065 1 13 . 1 1 68 68 TRP HA H 68 5.672 5.446 0.226 17414 6066 1 13 . 1 1 68 68 TRP CA C 68 54.812 55.964 -1.152 17414 6067 1 13 . 1 1 68 68 TRP CB C 68 29.742 31.278 -1.536 17414 6068 1 13 . 1 1 69 69 ALA N N 69 124.233 123.962 0.271 17414 6069 1 13 . 1 1 69 69 ALA HA H 69 5.243 5.110 0.133 17414 6070 1 13 . 1 1 69 69 ALA CA C 69 49.203 51.307 -2.104 17414 6071 1 13 . 1 1 69 69 ALA CB C 69 22.138 23.311 -1.173 17414 6072 1 13 . 1 1 70 70 THR N N 70 111.459 110.819 0.640 17414 6073 1 13 . 1 1 70 70 THR HA H 70 5.152 4.917 0.235 17414 6074 1 13 . 1 1 70 70 THR CA C 70 60.495 60.345 0.150 17414 6075 1 13 . 1 1 70 70 THR CB C 70 67.570 69.044 -1.474 17414 6076 1 13 . 1 1 71 71 PRO HA H 71 4.165 4.558 -0.393 17414 6077 1 13 . 1 1 71 71 PRO CA C 71 64.390 64.898 -0.508 17414 6078 1 13 . 1 1 72 72 ASP N N 72 112.234 116.493 -4.259 17414 6079 1 13 . 1 1 72 72 ASP HA H 72 4.505 4.823 -0.318 17414 6080 1 13 . 1 1 72 72 ASP CA C 72 52.827 54.442 -1.615 17414 6081 1 13 . 1 1 73 73 HIS N N 73 125.389 120.027 5.362 17414 6082 1 13 . 1 1 73 73 HIS HA H 73 3.796 4.514 -0.718 17414 6083 1 13 . 1 1 73 73 HIS CA C 73 58.310 56.737 1.573 17414 6084 1 13 . 1 1 73 73 HIS CB C 73 32.385 30.597 1.788 17414 6085 1 13 . 1 1 74 74 LYS N N 74 127.412 126.250 1.162 17414 6086 1 13 . 1 1 74 74 LYS HA H 74 4.661 4.769 -0.108 17414 6087 1 13 . 1 1 74 74 LYS CA C 74 56.845 56.518 0.327 17414 6088 1 13 . 1 1 75 75 VAL N N 75 125.726 125.918 -0.192 17414 6089 1 13 . 1 1 75 75 VAL HA H 75 4.754 4.553 0.201 17414 6090 1 13 . 1 1 75 75 VAL CA C 75 60.739 61.757 -1.018 17414 6091 1 13 . 1 1 75 75 VAL CB C 75 35.276 31.488 3.788 17414 6092 1 13 . 1 1 76 76 LEU N N 76 129.759 130.729 -0.970 17414 6093 1 13 . 1 1 76 76 LEU HA H 76 3.514 3.883 -0.369 17414 6094 1 13 . 1 1 76 76 LEU CA C 76 55.222 55.945 -0.723 17414 6095 1 13 . 1 1 76 76 LEU CB C 76 39.052 41.913 -2.861 17414 6096 1 13 . 1 1 77 77 THR N N 77 116.138 117.977 -1.839 17414 6097 1 13 . 1 1 77 77 THR HA H 77 5.295 4.822 0.473 17414 6098 1 13 . 1 1 77 77 THR CA C 77 59.543 60.238 -0.695 17414 6099 1 13 . 1 1 78 78 GLU N N 78 119.986 119.576 0.410 17414 6100 1 13 . 1 1 78 78 GLU HA H 78 3.558 3.871 -0.313 17414 6101 1 13 . 1 1 78 78 GLU CA C 78 57.551 58.599 -1.048 17414 6102 1 13 . 1 1 78 78 GLU CB C 78 28.385 28.831 -0.446 17414 6103 1 13 . 1 1 79 79 TYR N N 79 117.251 119.212 -1.961 17414 6104 1 13 . 1 1 79 79 TYR HA H 79 4.749 4.582 0.167 17414 6105 1 13 . 1 1 79 79 TYR CA C 79 55.553 58.277 -2.724 17414 6106 1 13 . 1 1 79 79 TYR CB C 79 37.935 39.140 -1.205 17414 6107 1 13 . 1 1 80 80 GLY N N 80 106.884 107.499 -0.615 17414 6108 1 13 . 1 1 80 80 GLY CA C 80 42.757 43.980 -1.223 17414 6109 1 13 . 1 1 81 81 TRP N N 81 125.593 122.936 2.657 17414 6110 1 13 . 1 1 81 81 TRP HA H 81 4.884 5.001 -0.117 17414 6111 1 13 . 1 1 81 81 TRP CA C 81 57.790 57.849 -0.059 17414 6112 1 13 . 1 1 81 81 TRP CB C 81 29.255 30.490 -1.235 17414 6113 1 13 . 1 1 82 82 ARG N N 82 124.625 124.341 0.284 17414 6114 1 13 . 1 1 82 82 ARG HA H 82 4.773 5.120 -0.347 17414 6115 1 13 . 1 1 82 82 ARG CA C 82 53.895 54.357 -0.462 17414 6116 1 13 . 1 1 83 83 ALA N N 83 125.891 128.708 -2.817 17414 6117 1 13 . 1 1 83 83 ALA HA H 83 4.293 4.529 -0.236 17414 6118 1 13 . 1 1 83 83 ALA CA C 83 51.686 52.570 -0.884 17414 6119 1 13 . 1 1 84 84 ALA N N 84 125.790 126.357 -0.567 17414 6120 1 13 . 1 1 84 84 ALA HA H 84 3.930 4.219 -0.289 17414 6121 1 13 . 1 1 84 84 ALA CB C 84 17.269 18.515 -1.246 17414 6122 1 13 . 1 1 85 85 GLY N N 85 102.306 107.600 -5.294 17414 6123 1 13 . 1 1 86 86 GLU N N 86 117.564 117.942 -0.378 17414 6124 1 13 . 1 1 86 86 GLU HA H 86 4.414 4.559 -0.145 17414 6125 1 13 . 1 1 86 86 GLU CA C 86 55.233 55.599 -0.366 17414 6126 1 13 . 1 1 86 86 GLU CB C 86 30.231 30.921 -0.690 17414 6127 1 13 . 1 1 87 87 LEU N N 87 119.746 122.521 -2.775 17414 6128 1 13 . 1 1 87 87 LEU HA H 87 4.417 4.184 0.233 17414 6129 1 13 . 1 1 87 87 LEU CA C 87 54.274 55.148 -0.874 17414 6130 1 13 . 1 1 87 87 LEU CB C 87 41.471 42.318 -0.847 17414 6131 1 13 . 1 1 88 88 ARG N N 88 120.899 122.789 -1.890 17414 6132 1 13 . 1 1 88 88 ARG HA H 88 4.627 4.876 -0.249 17414 6133 1 13 . 1 1 88 88 ARG CA C 88 52.594 54.084 -1.490 17414 6134 1 13 . 1 1 89 89 LYS N N 89 119.795 125.526 -5.731 17414 6135 1 13 . 1 1 89 89 LYS HA H 89 3.669 3.888 -0.219 17414 6136 1 13 . 1 1 89 89 LYS CA C 89 57.770 58.198 -0.428 17414 6137 1 13 . 1 1 90 90 GLY N N 90 115.070 114.835 0.235 17414 6138 1 13 . 1 1 90 90 GLY CA C 90 44.499 45.083 -0.584 17414 6139 1 13 . 1 1 91 91 ASP N N 91 121.652 121.896 -0.244 17414 6140 1 13 . 1 1 91 91 ASP HA H 91 4.716 4.653 0.063 17414 6141 1 13 . 1 1 91 91 ASP CA C 91 55.866 54.922 0.944 17414 6142 1 13 . 1 1 92 92 ARG N N 92 117.826 123.295 -5.469 17414 6143 1 13 . 1 1 92 92 ARG HA H 92 5.241 5.115 0.126 17414 6144 1 13 . 1 1 92 92 ARG CA C 92 54.976 55.662 -0.686 17414 6145 1 13 . 1 1 92 92 ARG CB C 92 31.655 31.769 -0.114 17414 6146 1 13 . 1 1 93 93 VAL N N 93 115.034 118.348 -3.314 17414 6147 1 13 . 1 1 93 93 VAL HA H 93 4.839 4.898 -0.059 17414 6148 1 13 . 1 1 93 93 VAL CA C 93 58.222 59.069 -0.847 17414 6149 1 13 . 1 1 94 94 ALA N N 94 126.192 124.988 1.204 17414 6150 1 13 . 1 1 94 94 ALA HA H 94 4.271 3.801 0.470 17414 6151 1 13 . 1 1 94 94 ALA CA C 94 50.975 52.099 -1.124 17414 6152 1 13 . 1 1 94 94 ALA CB C 94 18.748 18.768 -0.020 17414 6153 1 13 . 1 1 95 95 VAL N N 95 115.179 116.633 -1.454 17414 6154 1 13 . 1 1 95 95 VAL HA H 95 5.317 5.005 0.312 17414 6155 1 13 . 1 1 95 95 VAL CA C 95 57.154 58.571 -1.417 17414 6156 1 13 . 1 1 95 95 VAL CB C 95 35.186 35.566 -0.380 17414 6157 1 13 . 1 1 96 96 ARG N N 96 119.288 122.489 -3.201 17414 6158 1 13 . 1 1 96 96 ARG HA H 96 4.230 4.780 -0.550 17414 6159 1 13 . 1 1 96 96 ARG CA C 96 53.613 54.785 -1.172 17414 6160 1 13 . 1 1 96 96 ARG CB C 96 31.697 31.992 -0.295 17414 6161 1 13 . 1 1 97 97 ASP N N 97 131.180 125.967 5.213 17414 6162 1 13 . 1 1 97 97 ASP HA H 97 4.415 4.815 -0.400 17414 6163 1 13 . 1 1 97 97 ASP CA C 97 53.887 52.796 1.091 17414 6164 1 13 . 1 1 97 97 ASP CB C 97 42.723 42.185 0.538 17414 6165 1 13 . 1 1 98 98 VAL N N 98 126.152 125.641 0.511 17414 6166 1 13 . 1 1 98 98 VAL HA H 98 3.489 3.745 -0.256 17414 6167 1 13 . 1 1 98 98 VAL CA C 98 64.431 65.826 -1.395 17414 6168 1 13 . 1 1 98 98 VAL CB C 98 31.047 31.277 -0.230 17414 6169 1 13 . 1 1 99 99 GLU N N 99 118.883 120.830 -1.947 17414 6170 1 13 . 1 1 99 99 GLU HA H 99 4.127 4.081 0.046 17414 6171 1 13 . 1 1 99 99 GLU CA C 99 58.178 59.085 -0.907 17414 6172 1 13 . 1 1 99 99 GLU CB C 99 29.591 29.868 -0.277 17414 6173 1 13 . 1 1 100 100 THR N N 100 106.301 107.929 -1.628 17414 6174 1 13 . 1 1 100 100 THR HA H 100 4.316 4.430 -0.114 17414 6175 1 13 . 1 1 100 100 THR CA C 100 61.407 62.098 -0.691 17414 6176 1 13 . 1 1 100 100 THR CB C 100 70.856 70.685 0.171 17414 6177 1 13 . 1 1 101 101 GLY N N 101 111.204 111.858 -0.654 17414 6178 1 13 . 1 1 101 101 GLY CA C 101 45.284 45.494 -0.210 17414 6179 1 13 . 1 1 102 102 GLU N N 102 118.458 120.597 -2.139 17414 6180 1 13 . 1 1 102 102 GLU HA H 102 4.301 4.385 -0.084 17414 6181 1 13 . 1 1 102 102 GLU CA C 102 55.160 56.175 -1.015 17414 6182 1 13 . 1 1 102 102 GLU CB C 102 31.769 30.927 0.842 17414 6183 1 13 . 1 1 103 103 LEU N N 103 121.701 120.402 1.299 17414 6184 1 13 . 1 1 103 103 LEU HA H 103 4.716 4.545 0.171 17414 6185 1 13 . 1 1 103 103 LEU CA C 103 54.930 54.185 0.745 17414 6186 1 13 . 1 1 103 103 LEU CB C 103 42.346 42.873 -0.527 17414 6187 1 13 . 1 1 104 104 ARG N N 104 127.157 119.381 7.776 17414 6188 1 13 . 1 1 104 104 ARG HA H 104 4.403 4.862 -0.459 17414 6189 1 13 . 1 1 104 104 ARG CA C 104 53.201 53.578 -0.377 17414 6190 1 13 . 1 1 104 104 ARG CB C 104 32.989 34.764 -1.775 17414 6191 1 13 . 1 1 105 105 TYR N N 105 116.202 118.083 -1.881 17414 6192 1 13 . 1 1 105 105 TYR HA H 105 5.490 5.500 -0.010 17414 6193 1 13 . 1 1 105 105 TYR CA C 105 56.831 56.504 0.327 17414 6194 1 13 . 1 1 105 105 TYR CB C 105 40.116 41.799 -1.683 17414 6195 1 13 . 1 1 106 106 SER N N 106 118.250 115.042 3.208 17414 6196 1 13 . 1 1 106 106 SER HA H 106 4.807 5.122 -0.315 17414 6197 1 13 . 1 1 106 106 SER CA C 106 55.888 57.574 -1.686 17414 6198 1 13 . 1 1 106 106 SER CB C 106 66.301 66.915 -0.614 17414 6199 1 13 . 1 1 107 107 VAL N N 107 122.160 121.768 0.392 17414 6200 1 13 . 1 1 107 107 VAL HA H 107 4.423 4.739 -0.316 17414 6201 1 13 . 1 1 107 107 VAL CA C 107 61.369 60.161 1.208 17414 6202 1 13 . 1 1 107 107 VAL CB C 107 33.633 33.586 0.047 17414 6203 1 13 . 1 1 108 108 ILE N N 108 123.427 126.945 -3.518 17414 6204 1 13 . 1 1 108 108 ILE HA H 108 4.100 4.335 -0.235 17414 6205 1 13 . 1 1 108 108 ILE CA C 108 61.321 61.421 -0.100 17414 6206 1 13 . 1 1 108 108 ILE CB C 108 37.408 37.553 -0.145 17414 6207 1 13 . 1 1 109 109 ARG N N 109 130.207 129.428 0.779 17414 6208 1 13 . 1 1 109 109 ARG HA H 109 4.254 4.239 0.015 17414 6209 1 13 . 1 1 109 109 ARG CA C 109 55.904 57.855 -1.951 17414 6210 1 13 . 1 1 110 110 GLU N N 110 116.804 117.968 -1.164 17414 6211 1 13 . 1 1 110 110 GLU HA H 110 4.274 4.597 -0.323 17414 6212 1 13 . 1 1 110 110 GLU CA C 110 55.889 56.178 -0.289 17414 6213 1 13 . 1 1 110 110 GLU CB C 110 33.186 33.606 -0.420 17414 6214 1 13 . 1 1 111 111 VAL N N 111 125.709 127.173 -1.464 17414 6215 1 13 . 1 1 111 111 VAL HA H 111 4.709 4.476 0.233 17414 6216 1 13 . 1 1 111 111 VAL CA C 111 60.903 61.535 -0.632 17414 6217 1 13 . 1 1 111 111 VAL CB C 111 31.927 33.375 -1.448 17414 6218 1 13 . 1 1 112 112 LEU N N 112 132.638 128.923 3.715 17414 6219 1 13 . 1 1 112 112 LEU HA H 112 4.741 4.849 -0.108 17414 6220 1 13 . 1 1 112 112 LEU CA C 112 52.655 51.154 1.501 17414 6221 1 13 . 1 1 112 112 LEU CB C 112 40.998 42.380 -1.382 17414 6222 1 13 . 1 1 113 113 PRO HA H 113 4.532 4.576 -0.044 17414 6223 1 13 . 1 1 113 113 PRO CA C 113 61.916 62.699 -0.783 17414 6224 1 13 . 1 1 113 113 PRO CB C 113 32.608 32.249 0.359 17414 6225 1 13 . 1 1 114 114 THR N N 114 112.542 112.491 0.051 17414 6226 1 13 . 1 1 114 114 THR HA H 114 4.973 4.523 0.450 17414 6227 1 13 . 1 1 114 114 THR CA C 114 61.865 61.493 0.372 17414 6228 1 13 . 1 1 114 114 THR CB C 114 69.345 70.194 -0.849 17414 6229 1 13 . 1 1 115 115 ARG N N 115 123.213 120.342 2.871 17414 6230 1 13 . 1 1 115 115 ARG HA H 115 4.694 5.003 -0.309 17414 6231 1 13 . 1 1 115 115 ARG CA C 115 54.302 54.475 -0.173 17414 6232 1 13 . 1 1 115 115 ARG CB C 115 32.684 33.905 -1.221 17414 6233 1 13 . 1 1 116 116 ARG N N 116 119.004 122.510 -3.506 17414 6234 1 13 . 1 1 116 116 ARG HA H 116 4.879 4.603 0.276 17414 6235 1 13 . 1 1 116 116 ARG CA C 116 54.554 56.483 -1.929 17414 6236 1 13 . 1 1 116 116 ARG CB C 116 30.285 30.611 -0.326 17414 6237 1 13 . 1 1 117 117 ALA N N 117 124.834 124.981 -0.147 17414 6238 1 13 . 1 1 117 117 ALA HA H 117 4.599 4.733 -0.134 17414 6239 1 13 . 1 1 117 117 ALA CA C 117 50.434 50.934 -0.500 17414 6240 1 13 . 1 1 117 117 ALA CB C 117 23.139 22.958 0.181 17414 6241 1 13 . 1 1 118 118 ARG N N 118 120.885 119.030 1.855 17414 6242 1 13 . 1 1 118 118 ARG HA H 118 3.925 4.584 -0.659 17414 6243 1 13 . 1 1 118 118 ARG CA C 118 57.559 56.082 1.477 17414 6244 1 13 . 1 1 118 118 ARG CB C 118 30.409 31.541 -1.132 17414 6245 1 13 . 1 1 119 119 THR N N 119 111.492 113.259 -1.767 17414 6246 1 13 . 1 1 119 119 THR HA H 119 5.309 5.429 -0.120 17414 6247 1 13 . 1 1 119 119 THR CA C 119 60.071 59.436 0.635 17414 6248 1 13 . 1 1 119 119 THR CB C 119 72.737 71.770 0.967 17414 6249 1 13 . 1 1 120 120 PHE N N 120 113.949 119.627 -5.678 17414 6250 1 13 . 1 1 120 120 PHE HA H 120 5.311 5.343 -0.032 17414 6251 1 13 . 1 1 120 120 PHE CA C 120 57.898 56.197 1.701 17414 6252 1 13 . 1 1 120 120 PHE CB C 120 46.203 43.799 2.404 17414 6253 1 13 . 1 1 121 121 ASP N N 121 118.841 119.323 -0.482 17414 6254 1 13 . 1 1 121 121 ASP HA H 121 5.352 5.557 -0.205 17414 6255 1 13 . 1 1 121 121 ASP CA C 121 55.227 52.765 2.462 17414 6256 1 13 . 1 1 121 121 ASP CB C 121 47.673 44.776 2.897 17414 6257 1 13 . 1 1 122 122 LEU N N 122 118.637 122.710 -4.073 17414 6258 1 13 . 1 1 122 122 LEU HA H 122 4.809 5.142 -0.333 17414 6259 1 13 . 1 1 122 122 LEU CB C 122 45.915 45.646 0.269 17414 6260 1 13 . 1 1 123 123 GLU N N 123 118.694 121.376 -2.682 17414 6261 1 13 . 1 1 123 123 GLU HA H 123 4.515 4.757 -0.242 17414 6262 1 13 . 1 1 123 123 GLU CA C 123 54.697 55.082 -0.385 17414 6263 1 13 . 1 1 124 124 VAL N N 124 129.259 127.087 2.172 17414 6264 1 13 . 1 1 124 124 VAL HA H 124 4.065 4.125 -0.060 17414 6265 1 13 . 1 1 124 124 VAL CA C 124 61.193 62.235 -1.042 17414 6266 1 13 . 1 1 124 124 VAL CB C 124 33.607 31.282 2.325 17414 6267 1 13 . 1 1 125 125 GLU N N 125 128.432 128.072 0.360 17414 6268 1 13 . 1 1 125 125 GLU HA H 125 3.672 4.220 -0.548 17414 6269 1 13 . 1 1 125 125 GLU CA C 125 58.494 59.657 -1.163 17414 6270 1 13 . 1 1 125 125 GLU CB C 125 30.552 29.370 1.182 17414 6271 1 13 . 1 1 126 126 GLU N N 126 120.993 125.773 -4.780 17414 6272 1 13 . 1 1 126 126 GLU HA H 126 3.570 4.293 -0.723 17414 6273 1 13 . 1 1 126 126 GLU CA C 126 61.229 58.223 3.006 17414 6274 1 13 . 1 1 126 126 GLU CB C 126 29.621 30.140 -0.519 17414 6275 1 13 . 1 1 127 127 LEU N N 127 120.945 120.928 0.017 17414 6276 1 13 . 1 1 127 127 LEU HA H 127 4.205 4.357 -0.152 17414 6277 1 13 . 1 1 127 127 LEU CA C 127 55.681 54.286 1.395 17414 6278 1 13 . 1 1 128 128 HIS HA H 128 4.584 4.606 -0.022 17414 6279 1 13 . 1 1 128 128 HIS CA C 128 54.566 55.964 -1.398 17414 6280 1 13 . 1 1 128 128 HIS CB C 128 26.062 28.941 -2.879 17414 6281 1 13 . 1 1 129 129 THR N N 129 105.639 117.421 -11.782 17414 6282 1 13 . 1 1 129 129 THR HA H 129 4.899 4.666 0.233 17414 6283 1 13 . 1 1 129 129 THR CA C 129 58.380 61.095 -2.715 17414 6284 1 13 . 1 1 129 129 THR CB C 129 72.980 71.176 1.804 17414 6285 1 13 . 1 1 130 130 LEU N N 130 111.598 122.343 -10.745 17414 6286 1 13 . 1 1 130 130 LEU HA H 130 5.537 5.301 0.236 17414 6287 1 13 . 1 1 130 130 LEU CA C 130 54.683 53.806 0.877 17414 6288 1 13 . 1 1 130 130 LEU CB C 130 44.277 44.988 -0.711 17414 6289 1 13 . 1 1 131 131 VAL N N 131 119.670 121.190 -1.520 17414 6290 1 13 . 1 1 131 131 VAL HA H 131 4.830 4.870 -0.040 17414 6291 1 13 . 1 1 131 131 VAL CA C 131 61.285 62.711 -1.426 17414 6292 1 13 . 1 1 131 131 VAL CB C 131 30.272 31.634 -1.362 17414 6293 1 13 . 1 1 132 132 ALA N N 132 134.824 128.636 6.188 17414 6294 1 13 . 1 1 132 132 ALA HA H 132 4.931 4.848 0.083 17414 6295 1 13 . 1 1 132 132 ALA CA C 132 49.999 50.778 -0.779 17414 6296 1 13 . 1 1 132 132 ALA CB C 132 21.422 21.519 -0.097 17414 6297 1 13 . 1 1 133 133 GLU N N 133 118.979 125.158 -6.179 17414 6298 1 13 . 1 1 133 133 GLU HA H 133 3.826 4.066 -0.240 17414 6299 1 13 . 1 1 133 133 GLU CA C 133 57.065 57.726 -0.661 17414 6300 1 13 . 1 1 133 133 GLU CB C 133 26.406 28.314 -1.908 17414 6301 1 13 . 1 1 134 134 GLY N N 134 100.017 104.472 -4.455 17414 6302 1 13 . 1 1 134 134 GLY CA C 134 45.352 46.261 -0.909 17414 6303 1 13 . 1 1 135 135 VAL N N 135 122.381 119.712 2.669 17414 6304 1 13 . 1 1 135 135 VAL HA H 135 4.560 4.698 -0.138 17414 6305 1 13 . 1 1 135 135 VAL CA C 135 60.885 60.354 0.531 17414 6306 1 13 . 1 1 135 135 VAL CB C 135 32.542 35.346 -2.804 17414 6307 1 13 . 1 1 136 136 VAL N N 136 126.302 125.993 0.309 17414 6308 1 13 . 1 1 136 136 VAL HA H 136 4.254 4.730 -0.476 17414 6309 1 13 . 1 1 136 136 VAL CA C 136 63.608 61.507 2.101 17414 6310 1 13 . 1 1 136 136 VAL CB C 136 30.519 32.789 -2.270 17414 6311 1 13 . 1 1 137 137 VAL N N 137 118.757 120.736 -1.979 17414 6312 1 13 . 1 1 137 137 VAL HA H 137 5.743 5.154 0.589 17414 6313 1 13 . 1 1 137 137 VAL CA C 137 58.252 59.662 -1.410 17414 6314 1 13 . 1 1 137 137 VAL CB C 137 36.378 35.755 0.623 17414 6315 1 13 . 1 1 138 138 HIS N N 138 120.902 123.886 -2.984 17414 6316 1 13 . 1 1 138 138 HIS HA H 138 4.434 4.420 0.014 17414 6317 1 13 . 1 1 138 138 HIS CA C 138 56.439 57.200 -0.761 17414 6318 1 13 . 1 1 138 138 HIS CB C 138 30.583 29.997 0.586 17414 6319 1 14 . 1 1 2 2 LEU N N 2 122.945 122.013 0.932 17414 6320 1 14 . 1 1 2 2 LEU HA H 2 5.005 5.173 -0.168 17414 6321 1 14 . 1 1 2 2 LEU CA C 2 53.355 53.587 -0.232 17414 6322 1 14 . 1 1 2 2 LEU CB C 2 43.858 44.510 -0.652 17414 6323 1 14 . 1 1 3 3 ALA N N 3 121.232 127.204 -5.972 17414 6324 1 14 . 1 1 3 3 ALA HA H 3 4.730 4.929 -0.199 17414 6325 1 14 . 1 1 3 3 ALA CA C 3 52.302 51.529 0.773 17414 6326 1 14 . 1 1 3 3 ALA CB C 3 21.769 20.166 1.603 17414 6327 1 14 . 1 1 4 4 GLU N N 4 121.283 121.858 -0.575 17414 6328 1 14 . 1 1 4 4 GLU HA H 4 4.074 3.684 0.390 17414 6329 1 14 . 1 1 4 4 GLU CA C 4 57.136 58.348 -1.212 17414 6330 1 14 . 1 1 4 4 GLU CB C 4 31.847 29.426 2.421 17414 6331 1 14 . 1 1 5 5 GLY N N 5 119.858 114.971 4.887 17414 6332 1 14 . 1 1 5 5 GLY CA C 5 44.157 45.082 -0.925 17414 6333 1 14 . 1 1 6 6 THR N N 6 117.099 116.466 0.633 17414 6334 1 14 . 1 1 6 6 THR HA H 6 4.301 4.190 0.111 17414 6335 1 14 . 1 1 6 6 THR CA C 6 65.228 63.599 1.629 17414 6336 1 14 . 1 1 6 6 THR CB C 6 68.654 68.989 -0.335 17414 6337 1 14 . 1 1 7 7 ARG N N 7 130.107 127.141 2.966 17414 6338 1 14 . 1 1 7 7 ARG HA H 7 4.878 4.715 0.163 17414 6339 1 14 . 1 1 7 7 ARG CA C 7 55.868 56.082 -0.214 17414 6340 1 14 . 1 1 8 8 ILE N N 8 123.872 122.047 1.825 17414 6341 1 14 . 1 1 8 8 ILE HA H 8 4.531 4.649 -0.118 17414 6342 1 14 . 1 1 8 8 ILE CA C 8 59.240 60.379 -1.139 17414 6343 1 14 . 1 1 8 8 ILE CB C 8 40.450 40.197 0.253 17414 6344 1 14 . 1 1 9 9 PHE N N 9 129.317 129.495 -0.178 17414 6345 1 14 . 1 1 9 9 PHE HA H 9 4.832 4.701 0.131 17414 6346 1 14 . 1 1 9 9 PHE CA C 9 56.960 57.645 -0.685 17414 6347 1 14 . 1 1 9 9 PHE CB C 9 40.542 39.822 0.720 17414 6348 1 14 . 1 1 10 10 ASP N N 10 128.073 127.854 0.219 17414 6349 1 14 . 1 1 10 10 ASP HA H 10 5.529 5.015 0.514 17414 6350 1 14 . 1 1 10 10 ASP CA C 10 49.160 50.163 -1.003 17414 6351 1 14 . 1 1 10 10 ASP CB C 10 43.037 42.411 0.626 17414 6352 1 14 . 1 1 11 11 PRO HA H 11 3.974 4.380 -0.406 17414 6353 1 14 . 1 1 11 11 PRO CA C 11 62.348 64.752 -2.404 17414 6354 1 14 . 1 1 11 11 PRO CB C 11 30.977 32.189 -1.212 17414 6355 1 14 . 1 1 12 12 VAL N N 12 124.105 116.369 7.736 17414 6356 1 14 . 1 1 12 12 VAL HA H 12 3.591 3.671 -0.080 17414 6357 1 14 . 1 1 12 12 VAL CA C 12 64.849 65.557 -0.708 17414 6358 1 14 . 1 1 13 13 THR N N 13 107.133 114.022 -6.889 17414 6359 1 14 . 1 1 13 13 THR HA H 13 4.228 4.217 0.011 17414 6360 1 14 . 1 1 13 13 THR CA C 13 60.944 63.978 -3.034 17414 6361 1 14 . 1 1 13 13 THR CB C 13 69.447 69.270 0.177 17414 6362 1 14 . 1 1 14 14 GLY N N 14 112.897 109.108 3.789 17414 6363 1 14 . 1 1 14 14 GLY CA C 14 45.650 45.546 0.104 17414 6364 1 14 . 1 1 15 15 THR N N 15 117.286 115.181 2.105 17414 6365 1 14 . 1 1 15 15 THR HA H 15 4.276 4.673 -0.397 17414 6366 1 14 . 1 1 15 15 THR CA C 15 61.382 60.942 0.440 17414 6367 1 14 . 1 1 15 15 THR CB C 15 70.037 71.575 -1.538 17414 6368 1 14 . 1 1 16 16 THR N N 16 120.518 118.816 1.702 17414 6369 1 14 . 1 1 16 16 THR HA H 16 4.911 4.725 0.186 17414 6370 1 14 . 1 1 16 16 THR CA C 16 62.321 60.922 1.399 17414 6371 1 14 . 1 1 16 16 THR CB C 16 69.184 69.627 -0.443 17414 6372 1 14 . 1 1 17 17 HIS N N 17 127.011 127.179 -0.168 17414 6373 1 14 . 1 1 17 17 HIS HA H 17 4.586 5.166 -0.580 17414 6374 1 14 . 1 1 17 17 HIS CA C 17 54.406 54.309 0.097 17414 6375 1 14 . 1 1 17 17 HIS CB C 17 35.299 32.717 2.582 17414 6376 1 14 . 1 1 18 18 ARG N N 18 120.890 123.721 -2.831 17414 6377 1 14 . 1 1 18 18 ARG HA H 18 4.679 4.547 0.132 17414 6378 1 14 . 1 1 18 18 ARG CA C 18 54.802 55.309 -0.507 17414 6379 1 14 . 1 1 18 18 ARG CB C 18 29.657 31.740 -2.083 17414 6380 1 14 . 1 1 19 19 ILE N N 19 125.005 124.899 0.106 17414 6381 1 14 . 1 1 19 19 ILE HA H 19 3.696 3.696 0.000 17414 6382 1 14 . 1 1 19 19 ILE CA C 19 66.021 64.293 1.728 17414 6383 1 14 . 1 1 19 19 ILE CB C 19 37.936 37.203 0.733 17414 6384 1 14 . 1 1 20 20 GLU N N 20 123.813 121.233 2.580 17414 6385 1 14 . 1 1 20 20 GLU HA H 20 2.787 3.613 -0.826 17414 6386 1 14 . 1 1 20 20 GLU CA C 20 57.675 59.152 -1.477 17414 6387 1 14 . 1 1 20 20 GLU CB C 20 28.945 28.945 0.000 17414 6388 1 14 . 1 1 21 21 ASP N N 21 123.330 118.159 5.171 17414 6389 1 14 . 1 1 21 21 ASP HA H 21 4.489 4.524 -0.035 17414 6390 1 14 . 1 1 21 21 ASP CA C 21 55.734 56.742 -1.008 17414 6391 1 14 . 1 1 21 21 ASP CB C 21 40.038 40.898 -0.860 17414 6392 1 14 . 1 1 22 22 VAL N N 22 121.407 120.259 1.148 17414 6393 1 14 . 1 1 22 22 VAL HA H 22 3.303 3.549 -0.246 17414 6394 1 14 . 1 1 22 22 VAL CA C 22 65.768 66.583 -0.815 17414 6395 1 14 . 1 1 22 22 VAL CB C 22 31.327 31.503 -0.176 17414 6396 1 14 . 1 1 23 23 VAL N N 23 116.800 120.695 -3.895 17414 6397 1 14 . 1 1 23 23 VAL HA H 23 3.928 3.859 0.069 17414 6398 1 14 . 1 1 23 23 VAL CA C 23 66.310 66.555 -0.245 17414 6399 1 14 . 1 1 24 24 GLY N N 24 120.577 108.491 12.086 17414 6400 1 14 . 1 1 25 25 GLY N N 25 103.034 108.183 -5.149 17414 6401 1 14 . 1 1 25 25 GLY CA C 25 43.755 44.827 -1.072 17414 6402 1 14 . 1 1 26 26 ARG N N 26 122.306 115.178 7.128 17414 6403 1 14 . 1 1 26 26 ARG HA H 26 1.544 3.275 -1.731 17414 6404 1 14 . 1 1 26 26 ARG CA C 26 55.119 56.346 -1.227 17414 6405 1 14 . 1 1 26 26 ARG CB C 26 26.620 27.983 -1.363 17414 6406 1 14 . 1 1 27 27 LYS N N 27 115.887 119.407 -3.520 17414 6407 1 14 . 1 1 27 27 LYS HA H 27 4.168 4.485 -0.317 17414 6408 1 14 . 1 1 27 27 LYS CB C 27 33.503 32.876 0.627 17414 6409 1 14 . 1 1 28 28 PRO HA H 28 5.145 4.722 0.423 17414 6410 1 14 . 1 1 28 28 PRO CA C 28 61.507 62.491 -0.984 17414 6411 1 14 . 1 1 28 28 PRO CB C 28 27.787 29.921 -2.134 17414 6412 1 14 . 1 1 29 29 ILE N N 29 116.657 117.834 -1.177 17414 6413 1 14 . 1 1 29 29 ILE HA H 29 4.443 5.304 -0.861 17414 6414 1 14 . 1 1 29 29 ILE CA C 29 60.723 58.896 1.827 17414 6415 1 14 . 1 1 29 29 ILE CB C 29 38.563 41.340 -2.777 17414 6416 1 14 . 1 1 30 30 HIS N N 30 118.274 118.189 0.085 17414 6417 1 14 . 1 1 30 30 HIS HA H 30 5.152 5.400 -0.248 17414 6418 1 14 . 1 1 30 30 HIS CA C 30 55.902 54.356 1.546 17414 6419 1 14 . 1 1 30 30 HIS CB C 30 30.925 34.584 -3.659 17414 6420 1 14 . 1 1 31 31 VAL N N 31 107.262 115.777 -8.515 17414 6421 1 14 . 1 1 31 31 VAL HA H 31 5.212 4.913 0.299 17414 6422 1 14 . 1 1 31 31 VAL CA C 31 57.692 59.269 -1.577 17414 6423 1 14 . 1 1 31 31 VAL CB C 31 34.153 36.367 -2.214 17414 6424 1 14 . 1 1 32 32 VAL N N 32 119.900 122.563 -2.663 17414 6425 1 14 . 1 1 32 32 VAL HA H 32 4.246 4.647 -0.401 17414 6426 1 14 . 1 1 32 32 VAL CA C 32 62.504 61.867 0.637 17414 6427 1 14 . 1 1 33 33 ALA N N 33 128.967 130.383 -1.416 17414 6428 1 14 . 1 1 33 33 ALA HA H 33 4.522 5.419 -0.897 17414 6429 1 14 . 1 1 33 33 ALA CA C 33 49.594 50.303 -0.709 17414 6430 1 14 . 1 1 33 33 ALA CB C 33 23.635 22.655 0.980 17414 6431 1 14 . 1 1 34 34 ALA N N 34 121.236 120.997 0.239 17414 6432 1 14 . 1 1 34 34 ALA HA H 34 5.207 5.303 -0.096 17414 6433 1 14 . 1 1 34 34 ALA CA C 34 49.704 50.639 -0.935 17414 6434 1 14 . 1 1 35 35 ALA N N 35 125.943 122.977 2.966 17414 6435 1 14 . 1 1 35 35 ALA HA H 35 4.633 4.779 -0.146 17414 6436 1 14 . 1 1 35 35 ALA CA C 35 50.168 50.052 0.116 17414 6437 1 14 . 1 1 35 35 ALA CB C 35 20.121 21.828 -1.707 17414 6438 1 14 . 1 1 36 36 LYS N N 36 121.159 117.673 3.486 17414 6439 1 14 . 1 1 36 36 LYS HA H 36 4.272 4.168 0.104 17414 6440 1 14 . 1 1 36 36 LYS CA C 36 58.723 58.610 0.113 17414 6441 1 14 . 1 1 37 37 ASP N N 37 115.815 115.907 -0.092 17414 6442 1 14 . 1 1 37 37 ASP HA H 37 4.526 4.565 -0.039 17414 6443 1 14 . 1 1 37 37 ASP CA C 37 52.534 53.566 -1.032 17414 6444 1 14 . 1 1 37 37 ASP CB C 37 39.654 41.211 -1.557 17414 6445 1 14 . 1 1 38 38 GLY N N 38 107.649 110.029 -2.380 17414 6446 1 14 . 1 1 38 38 GLY CA C 38 45.025 45.748 -0.723 17414 6447 1 14 . 1 1 39 39 THR N N 39 110.428 112.983 -2.555 17414 6448 1 14 . 1 1 39 39 THR HA H 39 4.265 4.339 -0.074 17414 6449 1 14 . 1 1 39 39 THR CA C 39 60.883 60.709 0.174 17414 6450 1 14 . 1 1 39 39 THR CB C 39 70.144 70.408 -0.264 17414 6451 1 14 . 1 1 40 40 LEU N N 40 120.829 125.356 -4.527 17414 6452 1 14 . 1 1 40 40 LEU HA H 40 5.312 4.869 0.443 17414 6453 1 14 . 1 1 40 40 LEU CA C 40 53.146 53.865 -0.719 17414 6454 1 14 . 1 1 40 40 LEU CB C 40 41.870 43.372 -1.502 17414 6455 1 14 . 1 1 41 41 HIS N N 41 120.175 120.975 -0.800 17414 6456 1 14 . 1 1 41 41 HIS HA H 41 4.622 5.086 -0.464 17414 6457 1 14 . 1 1 41 41 HIS CA C 41 54.675 54.312 0.363 17414 6458 1 14 . 1 1 41 41 HIS CB C 41 35.374 33.066 2.308 17414 6459 1 14 . 1 1 42 42 ALA N N 42 125.084 124.678 0.406 17414 6460 1 14 . 1 1 42 42 ALA HA H 42 5.530 4.526 1.004 17414 6461 1 14 . 1 1 42 42 ALA CA C 42 50.934 52.225 -1.291 17414 6462 1 14 . 1 1 42 42 ALA CB C 42 18.920 19.449 -0.529 17414 6463 1 14 . 1 1 43 43 ARG N N 43 124.440 122.057 2.383 17414 6464 1 14 . 1 1 43 43 ARG HA H 43 5.177 4.916 0.261 17414 6465 1 14 . 1 1 43 43 ARG CA C 43 50.736 52.811 -2.075 17414 6466 1 14 . 1 1 43 43 ARG CB C 43 35.105 32.882 2.223 17414 6467 1 14 . 1 1 44 44 PRO HA H 44 4.506 4.260 0.246 17414 6468 1 14 . 1 1 44 44 PRO CA C 44 61.661 62.088 -0.427 17414 6469 1 14 . 1 1 44 44 PRO CB C 44 32.437 32.139 0.298 17414 6470 1 14 . 1 1 45 45 VAL N N 45 119.113 120.319 -1.206 17414 6471 1 14 . 1 1 45 45 VAL HA H 45 4.195 4.336 -0.141 17414 6472 1 14 . 1 1 45 45 VAL CA C 45 61.770 61.475 0.295 17414 6473 1 14 . 1 1 45 45 VAL CB C 45 32.099 32.901 -0.802 17414 6474 1 14 . 1 1 46 46 VAL N N 46 114.811 119.696 -4.885 17414 6475 1 14 . 1 1 46 46 VAL HA H 46 4.117 4.351 -0.234 17414 6476 1 14 . 1 1 46 46 VAL CA C 46 59.689 60.843 -1.154 17414 6477 1 14 . 1 1 46 46 VAL CB C 46 33.207 33.185 0.022 17414 6478 1 14 . 1 1 47 47 SER N N 47 113.271 114.497 -1.226 17414 6479 1 14 . 1 1 47 47 SER HA H 47 3.992 4.253 -0.261 17414 6480 1 14 . 1 1 47 47 SER CA C 47 56.916 56.907 0.009 17414 6481 1 14 . 1 1 47 47 SER CB C 47 65.285 66.397 -1.112 17414 6482 1 14 . 1 1 48 48 TRP N N 48 120.998 123.623 -2.625 17414 6483 1 14 . 1 1 48 48 TRP HA H 48 4.518 5.131 -0.613 17414 6484 1 14 . 1 1 48 48 TRP CA C 48 58.275 56.015 2.260 17414 6485 1 14 . 1 1 48 48 TRP CB C 48 32.474 32.167 0.307 17414 6486 1 14 . 1 1 49 49 PHE N N 49 120.098 122.005 -1.907 17414 6487 1 14 . 1 1 49 49 PHE HA H 49 5.159 5.039 0.120 17414 6488 1 14 . 1 1 49 49 PHE CA C 49 55.741 56.214 -0.473 17414 6489 1 14 . 1 1 49 49 PHE CB C 49 40.992 43.081 -2.089 17414 6490 1 14 . 1 1 50 50 ASP N N 50 127.259 123.851 3.408 17414 6491 1 14 . 1 1 50 50 ASP HA H 50 4.829 4.779 0.050 17414 6492 1 14 . 1 1 50 50 ASP CA C 50 53.464 53.672 -0.208 17414 6493 1 14 . 1 1 50 50 ASP CB C 50 40.713 42.341 -1.628 17414 6494 1 14 . 1 1 51 51 GLN N N 51 123.758 122.730 1.028 17414 6495 1 14 . 1 1 51 51 GLN HA H 51 4.902 4.517 0.385 17414 6496 1 14 . 1 1 51 51 GLN CA C 51 55.613 55.732 -0.119 17414 6497 1 14 . 1 1 52 52 GLY N N 52 108.682 107.696 0.986 17414 6498 1 14 . 1 1 52 52 GLY CA C 52 44.063 44.482 -0.419 17414 6499 1 14 . 1 1 53 53 THR N N 53 118.925 115.994 2.931 17414 6500 1 14 . 1 1 53 53 THR HA H 53 4.734 4.741 -0.007 17414 6501 1 14 . 1 1 53 53 THR CA C 53 62.734 63.351 -0.617 17414 6502 1 14 . 1 1 53 53 THR CB C 53 67.881 69.290 -1.409 17414 6503 1 14 . 1 1 54 54 ARG N N 54 125.981 124.635 1.346 17414 6504 1 14 . 1 1 54 54 ARG HA H 54 4.677 4.934 -0.257 17414 6505 1 14 . 1 1 54 54 ARG CA C 54 53.580 54.052 -0.472 17414 6506 1 14 . 1 1 54 54 ARG CB C 54 35.619 34.640 0.979 17414 6507 1 14 . 1 1 55 55 ASP N N 55 119.621 120.789 -1.168 17414 6508 1 14 . 1 1 55 55 ASP HA H 55 4.973 5.372 -0.399 17414 6509 1 14 . 1 1 55 55 ASP CA C 55 54.236 54.293 -0.057 17414 6510 1 14 . 1 1 55 55 ASP CB C 55 40.704 41.830 -1.126 17414 6511 1 14 . 1 1 56 56 VAL N N 56 114.565 118.868 -4.303 17414 6512 1 14 . 1 1 56 56 VAL HA H 56 4.804 5.003 -0.199 17414 6513 1 14 . 1 1 56 56 VAL CA C 56 58.672 59.270 -0.598 17414 6514 1 14 . 1 1 56 56 VAL CB C 56 34.813 35.963 -1.150 17414 6515 1 14 . 1 1 57 57 ILE N N 57 114.855 120.386 -5.531 17414 6516 1 14 . 1 1 57 57 ILE HA H 57 4.740 5.095 -0.355 17414 6517 1 14 . 1 1 57 57 ILE CA C 57 58.799 59.294 -0.495 17414 6518 1 14 . 1 1 57 57 ILE CB C 57 41.197 40.694 0.503 17414 6519 1 14 . 1 1 58 58 GLY N N 58 107.378 109.089 -1.711 17414 6520 1 14 . 1 1 58 58 GLY CA C 58 43.036 43.236 -0.200 17414 6521 1 14 . 1 1 59 59 LEU N N 59 124.061 124.927 -0.866 17414 6522 1 14 . 1 1 59 59 LEU HA H 59 4.677 4.758 -0.081 17414 6523 1 14 . 1 1 59 59 LEU CA C 59 52.282 53.595 -1.313 17414 6524 1 14 . 1 1 59 59 LEU CB C 59 42.668 43.020 -0.352 17414 6525 1 14 . 1 1 60 60 ARG N N 60 124.178 125.139 -0.961 17414 6526 1 14 . 1 1 60 60 ARG HA H 60 4.799 4.634 0.165 17414 6527 1 14 . 1 1 61 61 ILE N N 61 128.222 127.688 0.534 17414 6528 1 14 . 1 1 61 61 ILE HA H 61 4.492 4.491 0.001 17414 6529 1 14 . 1 1 61 61 ILE CA C 61 58.741 59.942 -1.201 17414 6530 1 14 . 1 1 61 61 ILE CB C 61 37.622 39.016 -1.394 17414 6531 1 14 . 1 1 62 62 ALA N N 62 128.005 131.883 -3.878 17414 6532 1 14 . 1 1 62 62 ALA HA H 62 4.108 3.978 0.130 17414 6533 1 14 . 1 1 62 62 ALA CA C 62 54.129 53.366 0.763 17414 6534 1 14 . 1 1 62 62 ALA CB C 62 18.002 17.983 0.019 17414 6535 1 14 . 1 1 63 63 GLY CA C 63 44.912 45.486 -0.574 17414 6536 1 14 . 1 1 64 64 GLY N N 64 107.906 108.224 -0.318 17414 6537 1 14 . 1 1 64 64 GLY CA C 64 44.751 45.987 -1.236 17414 6538 1 14 . 1 1 65 65 ALA N N 65 125.759 124.073 1.686 17414 6539 1 14 . 1 1 65 65 ALA HA H 65 4.394 4.605 -0.211 17414 6540 1 14 . 1 1 65 65 ALA CA C 65 51.764 51.366 0.398 17414 6541 1 14 . 1 1 65 65 ALA CB C 65 19.458 20.479 -1.021 17414 6542 1 14 . 1 1 66 66 ILE N N 66 118.136 119.389 -1.253 17414 6543 1 14 . 1 1 66 66 ILE HA H 66 4.705 4.956 -0.251 17414 6544 1 14 . 1 1 66 66 ILE CA C 66 59.670 59.397 0.273 17414 6545 1 14 . 1 1 66 66 ILE CB C 66 40.415 42.280 -1.865 17414 6546 1 14 . 1 1 67 67 LEU N N 67 127.715 126.223 1.492 17414 6547 1 14 . 1 1 67 67 LEU HA H 67 4.728 4.961 -0.233 17414 6548 1 14 . 1 1 67 67 LEU CA C 67 53.331 53.784 -0.453 17414 6549 1 14 . 1 1 67 67 LEU CB C 67 44.102 45.748 -1.646 17414 6550 1 14 . 1 1 68 68 TRP N N 68 129.332 128.119 1.213 17414 6551 1 14 . 1 1 68 68 TRP HA H 68 5.672 5.536 0.136 17414 6552 1 14 . 1 1 68 68 TRP CA C 68 54.812 56.058 -1.246 17414 6553 1 14 . 1 1 68 68 TRP CB C 68 29.742 31.427 -1.685 17414 6554 1 14 . 1 1 69 69 ALA N N 69 124.233 123.150 1.083 17414 6555 1 14 . 1 1 69 69 ALA HA H 69 5.243 5.023 0.220 17414 6556 1 14 . 1 1 69 69 ALA CA C 69 49.203 51.226 -2.023 17414 6557 1 14 . 1 1 69 69 ALA CB C 69 22.138 23.103 -0.965 17414 6558 1 14 . 1 1 70 70 THR N N 70 111.459 110.658 0.801 17414 6559 1 14 . 1 1 70 70 THR HA H 70 5.152 4.822 0.330 17414 6560 1 14 . 1 1 70 70 THR CA C 70 60.495 60.379 0.116 17414 6561 1 14 . 1 1 70 70 THR CB C 70 67.570 68.935 -1.365 17414 6562 1 14 . 1 1 71 71 PRO HA H 71 4.165 4.576 -0.411 17414 6563 1 14 . 1 1 71 71 PRO CA C 71 64.390 64.913 -0.523 17414 6564 1 14 . 1 1 72 72 ASP N N 72 112.234 116.133 -3.899 17414 6565 1 14 . 1 1 72 72 ASP HA H 72 4.505 4.650 -0.145 17414 6566 1 14 . 1 1 72 72 ASP CA C 72 52.827 54.056 -1.229 17414 6567 1 14 . 1 1 73 73 HIS N N 73 125.389 121.417 3.972 17414 6568 1 14 . 1 1 73 73 HIS HA H 73 3.796 4.503 -0.707 17414 6569 1 14 . 1 1 73 73 HIS CA C 73 58.310 56.713 1.597 17414 6570 1 14 . 1 1 73 73 HIS CB C 73 32.385 30.559 1.826 17414 6571 1 14 . 1 1 74 74 LYS N N 74 127.412 125.808 1.604 17414 6572 1 14 . 1 1 74 74 LYS HA H 74 4.661 4.708 -0.047 17414 6573 1 14 . 1 1 74 74 LYS CA C 74 56.845 56.390 0.455 17414 6574 1 14 . 1 1 75 75 VAL N N 75 125.726 125.132 0.594 17414 6575 1 14 . 1 1 75 75 VAL HA H 75 4.754 4.683 0.071 17414 6576 1 14 . 1 1 75 75 VAL CA C 75 60.739 61.853 -1.114 17414 6577 1 14 . 1 1 75 75 VAL CB C 75 35.276 31.831 3.445 17414 6578 1 14 . 1 1 76 76 LEU N N 76 129.759 130.834 -1.075 17414 6579 1 14 . 1 1 76 76 LEU HA H 76 3.514 3.895 -0.381 17414 6580 1 14 . 1 1 76 76 LEU CA C 76 55.222 55.956 -0.734 17414 6581 1 14 . 1 1 76 76 LEU CB C 76 39.052 41.957 -2.905 17414 6582 1 14 . 1 1 77 77 THR N N 77 116.138 117.958 -1.820 17414 6583 1 14 . 1 1 77 77 THR HA H 77 5.295 4.765 0.530 17414 6584 1 14 . 1 1 77 77 THR CA C 77 59.543 60.159 -0.616 17414 6585 1 14 . 1 1 78 78 GLU N N 78 119.986 119.573 0.413 17414 6586 1 14 . 1 1 78 78 GLU HA H 78 3.558 3.869 -0.311 17414 6587 1 14 . 1 1 78 78 GLU CA C 78 57.551 58.468 -0.917 17414 6588 1 14 . 1 1 78 78 GLU CB C 78 28.385 28.493 -0.108 17414 6589 1 14 . 1 1 79 79 TYR N N 79 117.251 118.109 -0.858 17414 6590 1 14 . 1 1 79 79 TYR HA H 79 4.749 4.573 0.176 17414 6591 1 14 . 1 1 79 79 TYR CA C 79 55.553 58.152 -2.599 17414 6592 1 14 . 1 1 79 79 TYR CB C 79 37.935 39.037 -1.102 17414 6593 1 14 . 1 1 80 80 GLY N N 80 106.884 107.248 -0.364 17414 6594 1 14 . 1 1 80 80 GLY CA C 80 42.757 44.648 -1.891 17414 6595 1 14 . 1 1 81 81 TRP N N 81 125.593 123.083 2.510 17414 6596 1 14 . 1 1 81 81 TRP HA H 81 4.884 5.035 -0.151 17414 6597 1 14 . 1 1 81 81 TRP CA C 81 57.790 57.720 0.070 17414 6598 1 14 . 1 1 81 81 TRP CB C 81 29.255 30.711 -1.456 17414 6599 1 14 . 1 1 82 82 ARG N N 82 124.625 123.113 1.512 17414 6600 1 14 . 1 1 82 82 ARG HA H 82 4.773 4.861 -0.088 17414 6601 1 14 . 1 1 82 82 ARG CA C 82 53.895 55.030 -1.135 17414 6602 1 14 . 1 1 83 83 ALA N N 83 125.891 128.335 -2.444 17414 6603 1 14 . 1 1 83 83 ALA HA H 83 4.293 4.361 -0.068 17414 6604 1 14 . 1 1 83 83 ALA CA C 83 51.686 52.719 -1.033 17414 6605 1 14 . 1 1 84 84 ALA N N 84 125.790 126.249 -0.459 17414 6606 1 14 . 1 1 84 84 ALA HA H 84 3.930 4.041 -0.111 17414 6607 1 14 . 1 1 84 84 ALA CB C 84 17.269 18.542 -1.273 17414 6608 1 14 . 1 1 85 85 GLY N N 85 102.306 105.321 -3.015 17414 6609 1 14 . 1 1 86 86 GLU N N 86 117.564 116.620 0.944 17414 6610 1 14 . 1 1 86 86 GLU HA H 86 4.414 4.383 0.031 17414 6611 1 14 . 1 1 86 86 GLU CA C 86 55.233 56.329 -1.096 17414 6612 1 14 . 1 1 86 86 GLU CB C 86 30.231 29.483 0.748 17414 6613 1 14 . 1 1 87 87 LEU N N 87 119.746 123.416 -3.670 17414 6614 1 14 . 1 1 87 87 LEU HA H 87 4.417 4.335 0.082 17414 6615 1 14 . 1 1 87 87 LEU CA C 87 54.274 55.446 -1.172 17414 6616 1 14 . 1 1 87 87 LEU CB C 87 41.471 42.378 -0.907 17414 6617 1 14 . 1 1 88 88 ARG N N 88 120.899 123.658 -2.759 17414 6618 1 14 . 1 1 88 88 ARG HA H 88 4.627 4.991 -0.364 17414 6619 1 14 . 1 1 88 88 ARG CA C 88 52.594 54.030 -1.436 17414 6620 1 14 . 1 1 89 89 LYS N N 89 119.795 125.503 -5.708 17414 6621 1 14 . 1 1 89 89 LYS HA H 89 3.669 4.119 -0.450 17414 6622 1 14 . 1 1 89 89 LYS CA C 89 57.770 57.214 0.556 17414 6623 1 14 . 1 1 90 90 GLY N N 90 115.070 109.885 5.185 17414 6624 1 14 . 1 1 90 90 GLY CA C 90 44.499 45.487 -0.988 17414 6625 1 14 . 1 1 91 91 ASP N N 91 121.652 121.751 -0.099 17414 6626 1 14 . 1 1 91 91 ASP HA H 91 4.716 4.704 0.012 17414 6627 1 14 . 1 1 91 91 ASP CA C 91 55.866 54.632 1.234 17414 6628 1 14 . 1 1 92 92 ARG N N 92 117.826 123.251 -5.425 17414 6629 1 14 . 1 1 92 92 ARG HA H 92 5.241 5.141 0.100 17414 6630 1 14 . 1 1 92 92 ARG CA C 92 54.976 55.576 -0.600 17414 6631 1 14 . 1 1 92 92 ARG CB C 92 31.655 31.861 -0.206 17414 6632 1 14 . 1 1 93 93 VAL N N 93 115.034 118.351 -3.317 17414 6633 1 14 . 1 1 93 93 VAL HA H 93 4.839 4.898 -0.059 17414 6634 1 14 . 1 1 93 93 VAL CA C 93 58.222 59.097 -0.875 17414 6635 1 14 . 1 1 94 94 ALA N N 94 126.192 124.468 1.724 17414 6636 1 14 . 1 1 94 94 ALA HA H 94 4.271 3.911 0.360 17414 6637 1 14 . 1 1 94 94 ALA CA C 94 50.975 51.397 -0.422 17414 6638 1 14 . 1 1 94 94 ALA CB C 94 18.748 18.624 0.124 17414 6639 1 14 . 1 1 95 95 VAL N N 95 115.179 116.398 -1.219 17414 6640 1 14 . 1 1 95 95 VAL HA H 95 5.317 4.936 0.381 17414 6641 1 14 . 1 1 95 95 VAL CA C 95 57.154 58.758 -1.604 17414 6642 1 14 . 1 1 95 95 VAL CB C 95 35.186 35.449 -0.263 17414 6643 1 14 . 1 1 96 96 ARG N N 96 119.288 122.826 -3.538 17414 6644 1 14 . 1 1 96 96 ARG HA H 96 4.230 4.689 -0.459 17414 6645 1 14 . 1 1 96 96 ARG CA C 96 53.613 54.949 -1.336 17414 6646 1 14 . 1 1 96 96 ARG CB C 96 31.697 31.592 0.105 17414 6647 1 14 . 1 1 97 97 ASP N N 97 131.180 126.023 5.157 17414 6648 1 14 . 1 1 97 97 ASP HA H 97 4.415 4.756 -0.341 17414 6649 1 14 . 1 1 97 97 ASP CA C 97 53.887 52.919 0.968 17414 6650 1 14 . 1 1 97 97 ASP CB C 97 42.723 42.222 0.501 17414 6651 1 14 . 1 1 98 98 VAL N N 98 126.152 126.301 -0.149 17414 6652 1 14 . 1 1 98 98 VAL HA H 98 3.489 3.866 -0.377 17414 6653 1 14 . 1 1 98 98 VAL CA C 98 64.431 64.288 0.143 17414 6654 1 14 . 1 1 98 98 VAL CB C 98 31.047 31.779 -0.732 17414 6655 1 14 . 1 1 99 99 GLU N N 99 118.883 121.741 -2.858 17414 6656 1 14 . 1 1 99 99 GLU HA H 99 4.127 4.088 0.039 17414 6657 1 14 . 1 1 99 99 GLU CA C 99 58.178 59.158 -0.980 17414 6658 1 14 . 1 1 99 99 GLU CB C 99 29.591 29.722 -0.131 17414 6659 1 14 . 1 1 100 100 THR N N 100 106.301 109.286 -2.985 17414 6660 1 14 . 1 1 100 100 THR HA H 100 4.316 4.391 -0.075 17414 6661 1 14 . 1 1 100 100 THR CA C 100 61.407 62.167 -0.760 17414 6662 1 14 . 1 1 100 100 THR CB C 100 70.856 70.637 0.219 17414 6663 1 14 . 1 1 101 101 GLY N N 101 111.204 111.868 -0.664 17414 6664 1 14 . 1 1 101 101 GLY CA C 101 45.284 45.504 -0.220 17414 6665 1 14 . 1 1 102 102 GLU N N 102 118.458 120.486 -2.028 17414 6666 1 14 . 1 1 102 102 GLU HA H 102 4.301 4.400 -0.099 17414 6667 1 14 . 1 1 102 102 GLU CA C 102 55.160 55.987 -0.827 17414 6668 1 14 . 1 1 102 102 GLU CB C 102 31.769 31.042 0.727 17414 6669 1 14 . 1 1 103 103 LEU N N 103 121.701 121.918 -0.217 17414 6670 1 14 . 1 1 103 103 LEU HA H 103 4.716 4.482 0.234 17414 6671 1 14 . 1 1 103 103 LEU CA C 103 54.930 54.321 0.609 17414 6672 1 14 . 1 1 103 103 LEU CB C 103 42.346 42.307 0.039 17414 6673 1 14 . 1 1 104 104 ARG N N 104 127.157 121.335 5.822 17414 6674 1 14 . 1 1 104 104 ARG HA H 104 4.403 5.040 -0.637 17414 6675 1 14 . 1 1 104 104 ARG CA C 104 53.201 53.576 -0.375 17414 6676 1 14 . 1 1 104 104 ARG CB C 104 32.989 34.095 -1.106 17414 6677 1 14 . 1 1 105 105 TYR N N 105 116.202 117.740 -1.538 17414 6678 1 14 . 1 1 105 105 TYR HA H 105 5.490 5.633 -0.143 17414 6679 1 14 . 1 1 105 105 TYR CA C 105 56.831 56.432 0.399 17414 6680 1 14 . 1 1 105 105 TYR CB C 105 40.116 41.691 -1.575 17414 6681 1 14 . 1 1 106 106 SER N N 106 118.250 115.328 2.922 17414 6682 1 14 . 1 1 106 106 SER HA H 106 4.807 5.051 -0.244 17414 6683 1 14 . 1 1 106 106 SER CA C 106 55.888 57.601 -1.713 17414 6684 1 14 . 1 1 106 106 SER CB C 106 66.301 66.891 -0.590 17414 6685 1 14 . 1 1 107 107 VAL N N 107 122.160 121.489 0.671 17414 6686 1 14 . 1 1 107 107 VAL HA H 107 4.423 4.611 -0.188 17414 6687 1 14 . 1 1 107 107 VAL CA C 107 61.369 60.892 0.477 17414 6688 1 14 . 1 1 107 107 VAL CB C 107 33.633 33.403 0.230 17414 6689 1 14 . 1 1 108 108 ILE N N 108 123.427 125.232 -1.805 17414 6690 1 14 . 1 1 108 108 ILE HA H 108 4.100 4.205 -0.105 17414 6691 1 14 . 1 1 108 108 ILE CA C 108 61.321 60.714 0.607 17414 6692 1 14 . 1 1 108 108 ILE CB C 108 37.408 38.169 -0.761 17414 6693 1 14 . 1 1 109 109 ARG N N 109 130.207 127.221 2.986 17414 6694 1 14 . 1 1 109 109 ARG HA H 109 4.254 4.417 -0.163 17414 6695 1 14 . 1 1 109 109 ARG CA C 109 55.904 57.165 -1.261 17414 6696 1 14 . 1 1 110 110 GLU N N 110 116.804 117.651 -0.847 17414 6697 1 14 . 1 1 110 110 GLU HA H 110 4.274 4.630 -0.356 17414 6698 1 14 . 1 1 110 110 GLU CA C 110 55.889 56.215 -0.326 17414 6699 1 14 . 1 1 110 110 GLU CB C 110 33.186 33.609 -0.423 17414 6700 1 14 . 1 1 111 111 VAL N N 111 125.709 127.290 -1.581 17414 6701 1 14 . 1 1 111 111 VAL HA H 111 4.709 4.496 0.213 17414 6702 1 14 . 1 1 111 111 VAL CA C 111 60.903 61.558 -0.655 17414 6703 1 14 . 1 1 111 111 VAL CB C 111 31.927 33.294 -1.367 17414 6704 1 14 . 1 1 112 112 LEU N N 112 132.638 128.510 4.128 17414 6705 1 14 . 1 1 112 112 LEU HA H 112 4.741 4.835 -0.094 17414 6706 1 14 . 1 1 112 112 LEU CA C 112 52.655 51.833 0.822 17414 6707 1 14 . 1 1 112 112 LEU CB C 112 40.998 41.480 -0.482 17414 6708 1 14 . 1 1 113 113 PRO HA H 113 4.532 4.629 -0.097 17414 6709 1 14 . 1 1 113 113 PRO CA C 113 61.916 62.604 -0.688 17414 6710 1 14 . 1 1 113 113 PRO CB C 113 32.608 32.190 0.418 17414 6711 1 14 . 1 1 114 114 THR N N 114 112.542 112.700 -0.158 17414 6712 1 14 . 1 1 114 114 THR HA H 114 4.973 4.655 0.318 17414 6713 1 14 . 1 1 114 114 THR CA C 114 61.865 61.747 0.118 17414 6714 1 14 . 1 1 114 114 THR CB C 114 69.345 70.113 -0.768 17414 6715 1 14 . 1 1 115 115 ARG N N 115 123.213 122.022 1.191 17414 6716 1 14 . 1 1 115 115 ARG HA H 115 4.694 4.802 -0.108 17414 6717 1 14 . 1 1 115 115 ARG CA C 115 54.302 54.598 -0.296 17414 6718 1 14 . 1 1 115 115 ARG CB C 115 32.684 34.147 -1.463 17414 6719 1 14 . 1 1 116 116 ARG N N 116 119.004 125.365 -6.361 17414 6720 1 14 . 1 1 116 116 ARG HA H 116 4.879 4.687 0.192 17414 6721 1 14 . 1 1 116 116 ARG CA C 116 54.554 56.515 -1.961 17414 6722 1 14 . 1 1 116 116 ARG CB C 116 30.285 30.773 -0.488 17414 6723 1 14 . 1 1 117 117 ALA N N 117 124.834 124.054 0.780 17414 6724 1 14 . 1 1 117 117 ALA HA H 117 4.599 4.797 -0.198 17414 6725 1 14 . 1 1 117 117 ALA CA C 117 50.434 51.046 -0.612 17414 6726 1 14 . 1 1 117 117 ALA CB C 117 23.139 22.914 0.225 17414 6727 1 14 . 1 1 118 118 ARG N N 118 120.885 120.279 0.606 17414 6728 1 14 . 1 1 118 118 ARG HA H 118 3.925 4.493 -0.568 17414 6729 1 14 . 1 1 118 118 ARG CA C 118 57.559 55.768 1.791 17414 6730 1 14 . 1 1 118 118 ARG CB C 118 30.409 31.279 -0.870 17414 6731 1 14 . 1 1 119 119 THR N N 119 111.492 115.408 -3.916 17414 6732 1 14 . 1 1 119 119 THR HA H 119 5.309 5.718 -0.409 17414 6733 1 14 . 1 1 119 119 THR CA C 119 60.071 59.642 0.429 17414 6734 1 14 . 1 1 119 119 THR CB C 119 72.737 71.877 0.860 17414 6735 1 14 . 1 1 120 120 PHE N N 120 113.949 119.959 -6.010 17414 6736 1 14 . 1 1 120 120 PHE HA H 120 5.311 5.311 0.000 17414 6737 1 14 . 1 1 120 120 PHE CA C 120 57.898 56.188 1.710 17414 6738 1 14 . 1 1 120 120 PHE CB C 120 46.203 43.672 2.531 17414 6739 1 14 . 1 1 121 121 ASP N N 121 118.841 119.361 -0.520 17414 6740 1 14 . 1 1 121 121 ASP HA H 121 5.352 5.583 -0.231 17414 6741 1 14 . 1 1 121 121 ASP CA C 121 55.227 53.074 2.153 17414 6742 1 14 . 1 1 121 121 ASP CB C 121 47.673 44.624 3.049 17414 6743 1 14 . 1 1 122 122 LEU N N 122 118.637 124.457 -5.820 17414 6744 1 14 . 1 1 122 122 LEU HA H 122 4.809 4.952 -0.143 17414 6745 1 14 . 1 1 122 122 LEU CB C 122 45.915 44.314 1.601 17414 6746 1 14 . 1 1 123 123 GLU N N 123 118.694 125.333 -6.639 17414 6747 1 14 . 1 1 123 123 GLU HA H 123 4.515 4.593 -0.078 17414 6748 1 14 . 1 1 123 123 GLU CA C 123 54.697 55.985 -1.288 17414 6749 1 14 . 1 1 124 124 VAL N N 124 129.259 126.392 2.867 17414 6750 1 14 . 1 1 124 124 VAL HA H 124 4.065 4.458 -0.393 17414 6751 1 14 . 1 1 124 124 VAL CA C 124 61.193 61.211 -0.018 17414 6752 1 14 . 1 1 124 124 VAL CB C 124 33.607 33.789 -0.182 17414 6753 1 14 . 1 1 125 125 GLU N N 125 128.432 127.744 0.688 17414 6754 1 14 . 1 1 125 125 GLU HA H 125 3.672 3.923 -0.251 17414 6755 1 14 . 1 1 125 125 GLU CA C 125 58.494 58.050 0.444 17414 6756 1 14 . 1 1 125 125 GLU CB C 125 30.552 29.483 1.069 17414 6757 1 14 . 1 1 126 126 GLU N N 126 120.993 126.282 -5.289 17414 6758 1 14 . 1 1 126 126 GLU HA H 126 3.570 4.034 -0.464 17414 6759 1 14 . 1 1 126 126 GLU CA C 126 61.229 58.992 2.237 17414 6760 1 14 . 1 1 126 126 GLU CB C 126 29.621 29.161 0.460 17414 6761 1 14 . 1 1 127 127 LEU N N 127 120.945 120.683 0.262 17414 6762 1 14 . 1 1 127 127 LEU HA H 127 4.205 4.394 -0.189 17414 6763 1 14 . 1 1 127 127 LEU CA C 127 55.681 53.891 1.790 17414 6764 1 14 . 1 1 128 128 HIS HA H 128 4.584 4.763 -0.179 17414 6765 1 14 . 1 1 128 128 HIS CA C 128 54.566 55.522 -0.956 17414 6766 1 14 . 1 1 128 128 HIS CB C 128 26.062 29.030 -2.968 17414 6767 1 14 . 1 1 129 129 THR N N 129 105.639 114.483 -8.844 17414 6768 1 14 . 1 1 129 129 THR HA H 129 4.899 4.868 0.031 17414 6769 1 14 . 1 1 129 129 THR CA C 129 58.380 61.060 -2.680 17414 6770 1 14 . 1 1 129 129 THR CB C 129 72.980 71.022 1.958 17414 6771 1 14 . 1 1 130 130 LEU N N 130 111.598 120.845 -9.247 17414 6772 1 14 . 1 1 130 130 LEU HA H 130 5.537 5.367 0.170 17414 6773 1 14 . 1 1 130 130 LEU CA C 130 54.683 53.672 1.011 17414 6774 1 14 . 1 1 130 130 LEU CB C 130 44.277 45.703 -1.426 17414 6775 1 14 . 1 1 131 131 VAL N N 131 119.670 121.090 -1.420 17414 6776 1 14 . 1 1 131 131 VAL HA H 131 4.830 4.939 -0.109 17414 6777 1 14 . 1 1 131 131 VAL CA C 131 61.285 60.617 0.668 17414 6778 1 14 . 1 1 131 131 VAL CB C 131 30.272 33.104 -2.832 17414 6779 1 14 . 1 1 132 132 ALA N N 132 134.824 129.513 5.311 17414 6780 1 14 . 1 1 132 132 ALA HA H 132 4.931 4.863 0.068 17414 6781 1 14 . 1 1 132 132 ALA CA C 132 49.999 50.652 -0.653 17414 6782 1 14 . 1 1 132 132 ALA CB C 132 21.422 21.481 -0.059 17414 6783 1 14 . 1 1 133 133 GLU N N 133 118.979 125.014 -6.035 17414 6784 1 14 . 1 1 133 133 GLU HA H 133 3.826 4.041 -0.215 17414 6785 1 14 . 1 1 133 133 GLU CA C 133 57.065 57.687 -0.622 17414 6786 1 14 . 1 1 133 133 GLU CB C 133 26.406 28.288 -1.882 17414 6787 1 14 . 1 1 134 134 GLY N N 134 100.017 104.471 -4.454 17414 6788 1 14 . 1 1 134 134 GLY CA C 134 45.352 46.238 -0.886 17414 6789 1 14 . 1 1 135 135 VAL N N 135 122.381 119.653 2.728 17414 6790 1 14 . 1 1 135 135 VAL HA H 135 4.560 4.687 -0.127 17414 6791 1 14 . 1 1 135 135 VAL CA C 135 60.885 60.365 0.520 17414 6792 1 14 . 1 1 135 135 VAL CB C 135 32.542 35.493 -2.951 17414 6793 1 14 . 1 1 136 136 VAL N N 136 126.302 120.708 5.594 17414 6794 1 14 . 1 1 136 136 VAL HA H 136 4.254 5.173 -0.919 17414 6795 1 14 . 1 1 136 136 VAL CA C 136 63.608 60.687 2.921 17414 6796 1 14 . 1 1 136 136 VAL CB C 136 30.519 33.371 -2.852 17414 6797 1 14 . 1 1 137 137 VAL N N 137 118.757 123.744 -4.987 17414 6798 1 14 . 1 1 137 137 VAL HA H 137 5.743 5.199 0.544 17414 6799 1 14 . 1 1 137 137 VAL CA C 137 58.252 60.037 -1.785 17414 6800 1 14 . 1 1 137 137 VAL CB C 137 36.378 35.642 0.736 17414 6801 1 14 . 1 1 138 138 HIS N N 138 120.902 124.506 -3.604 17414 6802 1 14 . 1 1 138 138 HIS HA H 138 4.434 4.316 0.118 17414 6803 1 14 . 1 1 138 138 HIS CA C 138 56.439 57.271 -0.832 17414 6804 1 14 . 1 1 138 138 HIS CB C 138 30.583 30.212 0.371 17414 6805 1 15 . 1 1 2 2 LEU N N 2 122.945 122.756 0.189 17414 6806 1 15 . 1 1 2 2 LEU HA H 2 5.005 4.971 0.034 17414 6807 1 15 . 1 1 2 2 LEU CA C 2 53.355 53.575 -0.220 17414 6808 1 15 . 1 1 2 2 LEU CB C 2 43.858 43.139 0.719 17414 6809 1 15 . 1 1 3 3 ALA N N 3 121.232 127.745 -6.513 17414 6810 1 15 . 1 1 3 3 ALA HA H 3 4.730 4.696 0.034 17414 6811 1 15 . 1 1 3 3 ALA CA C 3 52.302 51.886 0.416 17414 6812 1 15 . 1 1 3 3 ALA CB C 3 21.769 19.798 1.971 17414 6813 1 15 . 1 1 4 4 GLU N N 4 121.283 121.349 -0.066 17414 6814 1 15 . 1 1 4 4 GLU HA H 4 4.074 4.178 -0.104 17414 6815 1 15 . 1 1 4 4 GLU CA C 4 57.136 58.464 -1.328 17414 6816 1 15 . 1 1 4 4 GLU CB C 4 31.847 29.501 2.346 17414 6817 1 15 . 1 1 5 5 GLY N N 5 119.858 115.283 4.575 17414 6818 1 15 . 1 1 5 5 GLY CA C 5 44.157 45.154 -0.997 17414 6819 1 15 . 1 1 6 6 THR N N 6 117.099 116.856 0.243 17414 6820 1 15 . 1 1 6 6 THR HA H 6 4.301 4.226 0.075 17414 6821 1 15 . 1 1 6 6 THR CA C 6 65.228 63.795 1.433 17414 6822 1 15 . 1 1 6 6 THR CB C 6 68.654 69.130 -0.476 17414 6823 1 15 . 1 1 7 7 ARG N N 7 130.107 127.319 2.788 17414 6824 1 15 . 1 1 7 7 ARG HA H 7 4.878 4.736 0.142 17414 6825 1 15 . 1 1 7 7 ARG CA C 7 55.868 56.112 -0.244 17414 6826 1 15 . 1 1 8 8 ILE N N 8 123.872 125.419 -1.547 17414 6827 1 15 . 1 1 8 8 ILE HA H 8 4.531 4.805 -0.274 17414 6828 1 15 . 1 1 8 8 ILE CA C 8 59.240 60.102 -0.862 17414 6829 1 15 . 1 1 8 8 ILE CB C 8 40.450 38.699 1.751 17414 6830 1 15 . 1 1 9 9 PHE N N 9 129.317 129.413 -0.096 17414 6831 1 15 . 1 1 9 9 PHE HA H 9 4.832 4.786 0.046 17414 6832 1 15 . 1 1 9 9 PHE CA C 9 56.960 59.081 -2.121 17414 6833 1 15 . 1 1 9 9 PHE CB C 9 40.542 40.044 0.498 17414 6834 1 15 . 1 1 10 10 ASP N N 10 128.073 126.457 1.616 17414 6835 1 15 . 1 1 10 10 ASP HA H 10 5.529 4.899 0.630 17414 6836 1 15 . 1 1 10 10 ASP CA C 10 49.160 49.943 -0.783 17414 6837 1 15 . 1 1 10 10 ASP CB C 10 43.037 43.013 0.024 17414 6838 1 15 . 1 1 11 11 PRO HA H 11 3.974 4.417 -0.443 17414 6839 1 15 . 1 1 11 11 PRO CA C 11 62.348 64.627 -2.279 17414 6840 1 15 . 1 1 11 11 PRO CB C 11 30.977 32.201 -1.224 17414 6841 1 15 . 1 1 12 12 VAL N N 12 124.105 116.346 7.759 17414 6842 1 15 . 1 1 12 12 VAL HA H 12 3.591 3.679 -0.088 17414 6843 1 15 . 1 1 12 12 VAL CA C 12 64.849 65.826 -0.977 17414 6844 1 15 . 1 1 13 13 THR N N 13 107.133 112.789 -5.656 17414 6845 1 15 . 1 1 13 13 THR HA H 13 4.228 4.299 -0.071 17414 6846 1 15 . 1 1 13 13 THR CA C 13 60.944 63.594 -2.650 17414 6847 1 15 . 1 1 13 13 THR CB C 13 69.447 69.678 -0.231 17414 6848 1 15 . 1 1 14 14 GLY N N 14 112.897 109.732 3.165 17414 6849 1 15 . 1 1 14 14 GLY CA C 14 45.650 45.898 -0.248 17414 6850 1 15 . 1 1 15 15 THR N N 15 117.286 115.192 2.094 17414 6851 1 15 . 1 1 15 15 THR HA H 15 4.276 4.828 -0.552 17414 6852 1 15 . 1 1 15 15 THR CA C 15 61.382 61.324 0.058 17414 6853 1 15 . 1 1 15 15 THR CB C 15 70.037 71.617 -1.580 17414 6854 1 15 . 1 1 16 16 THR N N 16 120.518 119.354 1.164 17414 6855 1 15 . 1 1 16 16 THR HA H 16 4.911 4.844 0.067 17414 6856 1 15 . 1 1 16 16 THR CA C 16 62.321 62.449 -0.128 17414 6857 1 15 . 1 1 16 16 THR CB C 16 69.184 69.352 -0.168 17414 6858 1 15 . 1 1 17 17 HIS N N 17 127.011 126.120 0.891 17414 6859 1 15 . 1 1 17 17 HIS HA H 17 4.586 5.078 -0.492 17414 6860 1 15 . 1 1 17 17 HIS CA C 17 54.406 54.760 -0.354 17414 6861 1 15 . 1 1 17 17 HIS CB C 17 35.299 32.317 2.982 17414 6862 1 15 . 1 1 18 18 ARG N N 18 120.890 121.615 -0.725 17414 6863 1 15 . 1 1 18 18 ARG HA H 18 4.679 4.439 0.240 17414 6864 1 15 . 1 1 18 18 ARG CA C 18 54.802 55.430 -0.628 17414 6865 1 15 . 1 1 18 18 ARG CB C 18 29.657 31.627 -1.970 17414 6866 1 15 . 1 1 19 19 ILE N N 19 125.005 126.699 -1.694 17414 6867 1 15 . 1 1 19 19 ILE HA H 19 3.696 3.861 -0.165 17414 6868 1 15 . 1 1 19 19 ILE CA C 19 66.021 64.055 1.966 17414 6869 1 15 . 1 1 19 19 ILE CB C 19 37.936 37.754 0.182 17414 6870 1 15 . 1 1 20 20 GLU N N 20 123.813 119.410 4.403 17414 6871 1 15 . 1 1 20 20 GLU HA H 20 2.787 3.541 -0.754 17414 6872 1 15 . 1 1 20 20 GLU CA C 20 57.675 58.499 -0.824 17414 6873 1 15 . 1 1 20 20 GLU CB C 20 28.945 28.743 0.202 17414 6874 1 15 . 1 1 21 21 ASP N N 21 123.330 120.787 2.543 17414 6875 1 15 . 1 1 21 21 ASP HA H 21 4.489 4.403 0.086 17414 6876 1 15 . 1 1 21 21 ASP CA C 21 55.734 56.459 -0.725 17414 6877 1 15 . 1 1 21 21 ASP CB C 21 40.038 40.908 -0.870 17414 6878 1 15 . 1 1 22 22 VAL N N 22 121.407 119.521 1.886 17414 6879 1 15 . 1 1 22 22 VAL HA H 22 3.303 3.663 -0.360 17414 6880 1 15 . 1 1 22 22 VAL CA C 22 65.768 66.382 -0.614 17414 6881 1 15 . 1 1 22 22 VAL CB C 22 31.327 31.558 -0.231 17414 6882 1 15 . 1 1 23 23 VAL N N 23 116.800 120.757 -3.957 17414 6883 1 15 . 1 1 23 23 VAL HA H 23 3.928 3.783 0.145 17414 6884 1 15 . 1 1 23 23 VAL CA C 23 66.310 66.370 -0.060 17414 6885 1 15 . 1 1 24 24 GLY N N 24 120.577 108.296 12.281 17414 6886 1 15 . 1 1 25 25 GLY N N 25 103.034 108.540 -5.506 17414 6887 1 15 . 1 1 25 25 GLY CA C 25 43.755 44.918 -1.163 17414 6888 1 15 . 1 1 26 26 ARG N N 26 122.306 115.195 7.111 17414 6889 1 15 . 1 1 26 26 ARG HA H 26 1.544 3.466 -1.922 17414 6890 1 15 . 1 1 26 26 ARG CA C 26 55.119 56.492 -1.373 17414 6891 1 15 . 1 1 26 26 ARG CB C 26 26.620 27.829 -1.209 17414 6892 1 15 . 1 1 27 27 LYS N N 27 115.887 119.503 -3.616 17414 6893 1 15 . 1 1 27 27 LYS HA H 27 4.168 4.431 -0.263 17414 6894 1 15 . 1 1 27 27 LYS CB C 27 33.503 33.221 0.282 17414 6895 1 15 . 1 1 28 28 PRO HA H 28 5.145 4.872 0.273 17414 6896 1 15 . 1 1 28 28 PRO CA C 28 61.507 62.636 -1.129 17414 6897 1 15 . 1 1 28 28 PRO CB C 28 27.787 30.437 -2.650 17414 6898 1 15 . 1 1 29 29 ILE N N 29 116.657 117.629 -0.972 17414 6899 1 15 . 1 1 29 29 ILE HA H 29 4.443 5.164 -0.721 17414 6900 1 15 . 1 1 29 29 ILE CA C 29 60.723 58.982 1.741 17414 6901 1 15 . 1 1 29 29 ILE CB C 29 38.563 40.750 -2.187 17414 6902 1 15 . 1 1 30 30 HIS N N 30 118.274 118.130 0.144 17414 6903 1 15 . 1 1 30 30 HIS HA H 30 5.152 5.231 -0.079 17414 6904 1 15 . 1 1 30 30 HIS CA C 30 55.902 54.390 1.512 17414 6905 1 15 . 1 1 30 30 HIS CB C 30 30.925 33.787 -2.862 17414 6906 1 15 . 1 1 31 31 VAL N N 31 107.262 115.399 -8.137 17414 6907 1 15 . 1 1 31 31 VAL HA H 31 5.212 4.813 0.399 17414 6908 1 15 . 1 1 31 31 VAL CA C 31 57.692 59.165 -1.473 17414 6909 1 15 . 1 1 31 31 VAL CB C 31 34.153 35.988 -1.835 17414 6910 1 15 . 1 1 32 32 VAL N N 32 119.900 122.915 -3.015 17414 6911 1 15 . 1 1 32 32 VAL HA H 32 4.246 4.478 -0.232 17414 6912 1 15 . 1 1 32 32 VAL CA C 32 62.504 62.273 0.231 17414 6913 1 15 . 1 1 33 33 ALA N N 33 128.967 129.993 -1.026 17414 6914 1 15 . 1 1 33 33 ALA HA H 33 4.522 5.239 -0.717 17414 6915 1 15 . 1 1 33 33 ALA CA C 33 49.594 50.002 -0.408 17414 6916 1 15 . 1 1 33 33 ALA CB C 33 23.635 22.812 0.823 17414 6917 1 15 . 1 1 34 34 ALA N N 34 121.236 121.065 0.171 17414 6918 1 15 . 1 1 34 34 ALA HA H 34 5.207 5.539 -0.332 17414 6919 1 15 . 1 1 34 34 ALA CA C 34 49.704 50.585 -0.881 17414 6920 1 15 . 1 1 35 35 ALA N N 35 125.943 121.376 4.567 17414 6921 1 15 . 1 1 35 35 ALA HA H 35 4.633 4.722 -0.089 17414 6922 1 15 . 1 1 35 35 ALA CA C 35 50.168 49.832 0.336 17414 6923 1 15 . 1 1 35 35 ALA CB C 35 20.121 21.141 -1.020 17414 6924 1 15 . 1 1 36 36 LYS N N 36 121.159 117.196 3.963 17414 6925 1 15 . 1 1 36 36 LYS HA H 36 4.272 4.167 0.105 17414 6926 1 15 . 1 1 36 36 LYS CA C 36 58.723 58.576 0.147 17414 6927 1 15 . 1 1 37 37 ASP N N 37 115.815 117.476 -1.661 17414 6928 1 15 . 1 1 37 37 ASP HA H 37 4.526 4.710 -0.184 17414 6929 1 15 . 1 1 37 37 ASP CA C 37 52.534 54.191 -1.657 17414 6930 1 15 . 1 1 37 37 ASP CB C 37 39.654 41.473 -1.819 17414 6931 1 15 . 1 1 38 38 GLY N N 38 107.649 107.698 -0.049 17414 6932 1 15 . 1 1 38 38 GLY CA C 38 45.025 45.235 -0.210 17414 6933 1 15 . 1 1 39 39 THR N N 39 110.428 113.330 -2.902 17414 6934 1 15 . 1 1 39 39 THR HA H 39 4.265 4.388 -0.123 17414 6935 1 15 . 1 1 39 39 THR CA C 39 60.883 61.049 -0.166 17414 6936 1 15 . 1 1 39 39 THR CB C 39 70.144 70.681 -0.537 17414 6937 1 15 . 1 1 40 40 LEU N N 40 120.829 123.897 -3.068 17414 6938 1 15 . 1 1 40 40 LEU HA H 40 5.312 5.270 0.042 17414 6939 1 15 . 1 1 40 40 LEU CA C 40 53.146 53.458 -0.312 17414 6940 1 15 . 1 1 40 40 LEU CB C 40 41.870 43.345 -1.475 17414 6941 1 15 . 1 1 41 41 HIS N N 41 120.175 120.996 -0.821 17414 6942 1 15 . 1 1 41 41 HIS HA H 41 4.622 5.008 -0.386 17414 6943 1 15 . 1 1 41 41 HIS CA C 41 54.675 54.738 -0.063 17414 6944 1 15 . 1 1 41 41 HIS CB C 41 35.374 33.358 2.016 17414 6945 1 15 . 1 1 42 42 ALA N N 42 125.084 125.918 -0.834 17414 6946 1 15 . 1 1 42 42 ALA HA H 42 5.530 4.509 1.021 17414 6947 1 15 . 1 1 42 42 ALA CA C 42 50.934 52.145 -1.211 17414 6948 1 15 . 1 1 42 42 ALA CB C 42 18.920 19.593 -0.673 17414 6949 1 15 . 1 1 43 43 ARG N N 43 124.440 121.461 2.979 17414 6950 1 15 . 1 1 43 43 ARG HA H 43 5.177 4.892 0.285 17414 6951 1 15 . 1 1 43 43 ARG CA C 43 50.736 52.744 -2.008 17414 6952 1 15 . 1 1 43 43 ARG CB C 43 35.105 33.108 1.997 17414 6953 1 15 . 1 1 44 44 PRO HA H 44 4.506 4.186 0.320 17414 6954 1 15 . 1 1 44 44 PRO CA C 44 61.661 62.045 -0.384 17414 6955 1 15 . 1 1 44 44 PRO CB C 44 32.437 32.073 0.364 17414 6956 1 15 . 1 1 45 45 VAL N N 45 119.113 120.698 -1.585 17414 6957 1 15 . 1 1 45 45 VAL HA H 45 4.195 4.020 0.175 17414 6958 1 15 . 1 1 45 45 VAL CA C 45 61.770 61.721 0.049 17414 6959 1 15 . 1 1 45 45 VAL CB C 45 32.099 32.347 -0.248 17414 6960 1 15 . 1 1 46 46 VAL N N 46 114.811 119.608 -4.797 17414 6961 1 15 . 1 1 46 46 VAL HA H 46 4.117 4.281 -0.164 17414 6962 1 15 . 1 1 46 46 VAL CA C 46 59.689 60.941 -1.252 17414 6963 1 15 . 1 1 46 46 VAL CB C 46 33.207 33.331 -0.124 17414 6964 1 15 . 1 1 47 47 SER N N 47 113.271 112.420 0.851 17414 6965 1 15 . 1 1 47 47 SER HA H 47 3.992 4.560 -0.568 17414 6966 1 15 . 1 1 47 47 SER CA C 47 56.916 56.535 0.381 17414 6967 1 15 . 1 1 47 47 SER CB C 47 65.285 65.806 -0.521 17414 6968 1 15 . 1 1 48 48 TRP N N 48 120.998 123.384 -2.386 17414 6969 1 15 . 1 1 48 48 TRP HA H 48 4.518 5.351 -0.833 17414 6970 1 15 . 1 1 48 48 TRP CA C 48 58.275 55.569 2.706 17414 6971 1 15 . 1 1 48 48 TRP CB C 48 32.474 31.090 1.384 17414 6972 1 15 . 1 1 49 49 PHE N N 49 120.098 122.956 -2.858 17414 6973 1 15 . 1 1 49 49 PHE HA H 49 5.159 5.136 0.023 17414 6974 1 15 . 1 1 49 49 PHE CA C 49 55.741 56.259 -0.518 17414 6975 1 15 . 1 1 49 49 PHE CB C 49 40.992 43.330 -2.338 17414 6976 1 15 . 1 1 50 50 ASP N N 50 127.259 123.413 3.846 17414 6977 1 15 . 1 1 50 50 ASP HA H 50 4.829 5.313 -0.484 17414 6978 1 15 . 1 1 50 50 ASP CA C 50 53.464 53.258 0.206 17414 6979 1 15 . 1 1 50 50 ASP CB C 50 40.713 42.923 -2.210 17414 6980 1 15 . 1 1 51 51 GLN N N 51 123.758 121.456 2.302 17414 6981 1 15 . 1 1 51 51 GLN HA H 51 4.902 4.570 0.332 17414 6982 1 15 . 1 1 51 51 GLN CA C 51 55.613 55.656 -0.043 17414 6983 1 15 . 1 1 52 52 GLY N N 52 108.682 107.661 1.021 17414 6984 1 15 . 1 1 52 52 GLY CA C 52 44.063 44.657 -0.594 17414 6985 1 15 . 1 1 53 53 THR N N 53 118.925 115.909 3.016 17414 6986 1 15 . 1 1 53 53 THR HA H 53 4.734 4.829 -0.095 17414 6987 1 15 . 1 1 53 53 THR CA C 53 62.734 63.179 -0.445 17414 6988 1 15 . 1 1 53 53 THR CB C 53 67.881 69.456 -1.575 17414 6989 1 15 . 1 1 54 54 ARG N N 54 125.981 124.353 1.628 17414 6990 1 15 . 1 1 54 54 ARG HA H 54 4.677 4.870 -0.193 17414 6991 1 15 . 1 1 54 54 ARG CA C 54 53.580 53.998 -0.418 17414 6992 1 15 . 1 1 54 54 ARG CB C 54 35.619 34.766 0.853 17414 6993 1 15 . 1 1 55 55 ASP N N 55 119.621 120.783 -1.162 17414 6994 1 15 . 1 1 55 55 ASP HA H 55 4.973 5.174 -0.201 17414 6995 1 15 . 1 1 55 55 ASP CA C 55 54.236 54.019 0.217 17414 6996 1 15 . 1 1 55 55 ASP CB C 55 40.704 41.715 -1.011 17414 6997 1 15 . 1 1 56 56 VAL N N 56 114.565 118.141 -3.576 17414 6998 1 15 . 1 1 56 56 VAL HA H 56 4.804 4.966 -0.162 17414 6999 1 15 . 1 1 56 56 VAL CA C 56 58.672 59.381 -0.709 17414 7000 1 15 . 1 1 56 56 VAL CB C 56 34.813 35.928 -1.115 17414 7001 1 15 . 1 1 57 57 ILE N N 57 114.855 122.166 -7.311 17414 7002 1 15 . 1 1 57 57 ILE HA H 57 4.740 5.025 -0.285 17414 7003 1 15 . 1 1 57 57 ILE CA C 57 58.799 59.520 -0.721 17414 7004 1 15 . 1 1 57 57 ILE CB C 57 41.197 39.777 1.420 17414 7005 1 15 . 1 1 58 58 GLY N N 58 107.378 109.513 -2.135 17414 7006 1 15 . 1 1 58 58 GLY CA C 58 43.036 43.398 -0.362 17414 7007 1 15 . 1 1 59 59 LEU N N 59 124.061 124.888 -0.827 17414 7008 1 15 . 1 1 59 59 LEU HA H 59 4.677 4.745 -0.068 17414 7009 1 15 . 1 1 59 59 LEU CA C 59 52.282 53.603 -1.321 17414 7010 1 15 . 1 1 59 59 LEU CB C 59 42.668 43.392 -0.724 17414 7011 1 15 . 1 1 60 60 ARG N N 60 124.178 125.523 -1.345 17414 7012 1 15 . 1 1 60 60 ARG HA H 60 4.799 4.578 0.221 17414 7013 1 15 . 1 1 61 61 ILE N N 61 128.222 127.872 0.350 17414 7014 1 15 . 1 1 61 61 ILE HA H 61 4.492 4.272 0.220 17414 7015 1 15 . 1 1 61 61 ILE CA C 61 58.741 60.695 -1.954 17414 7016 1 15 . 1 1 61 61 ILE CB C 61 37.622 38.265 -0.643 17414 7017 1 15 . 1 1 62 62 ALA N N 62 128.005 131.918 -3.913 17414 7018 1 15 . 1 1 62 62 ALA HA H 62 4.108 3.966 0.142 17414 7019 1 15 . 1 1 62 62 ALA CA C 62 54.129 53.403 0.726 17414 7020 1 15 . 1 1 62 62 ALA CB C 62 18.002 18.010 -0.008 17414 7021 1 15 . 1 1 63 63 GLY CA C 63 44.912 45.575 -0.663 17414 7022 1 15 . 1 1 64 64 GLY N N 64 107.906 108.440 -0.534 17414 7023 1 15 . 1 1 64 64 GLY CA C 64 44.751 46.328 -1.577 17414 7024 1 15 . 1 1 65 65 ALA N N 65 125.759 123.496 2.263 17414 7025 1 15 . 1 1 65 65 ALA HA H 65 4.394 4.717 -0.323 17414 7026 1 15 . 1 1 65 65 ALA CA C 65 51.764 51.301 0.463 17414 7027 1 15 . 1 1 65 65 ALA CB C 65 19.458 21.052 -1.594 17414 7028 1 15 . 1 1 66 66 ILE N N 66 118.136 119.589 -1.453 17414 7029 1 15 . 1 1 66 66 ILE HA H 66 4.705 4.959 -0.254 17414 7030 1 15 . 1 1 66 66 ILE CA C 66 59.670 59.408 0.262 17414 7031 1 15 . 1 1 66 66 ILE CB C 66 40.415 42.180 -1.765 17414 7032 1 15 . 1 1 67 67 LEU N N 67 127.715 127.052 0.663 17414 7033 1 15 . 1 1 67 67 LEU HA H 67 4.728 4.977 -0.249 17414 7034 1 15 . 1 1 67 67 LEU CA C 67 53.331 53.173 0.158 17414 7035 1 15 . 1 1 67 67 LEU CB C 67 44.102 45.017 -0.915 17414 7036 1 15 . 1 1 68 68 TRP N N 68 129.332 128.566 0.766 17414 7037 1 15 . 1 1 68 68 TRP HA H 68 5.672 5.425 0.247 17414 7038 1 15 . 1 1 68 68 TRP CA C 68 54.812 55.796 -0.984 17414 7039 1 15 . 1 1 68 68 TRP CB C 68 29.742 30.817 -1.075 17414 7040 1 15 . 1 1 69 69 ALA N N 69 124.233 124.689 -0.456 17414 7041 1 15 . 1 1 69 69 ALA HA H 69 5.243 5.064 0.179 17414 7042 1 15 . 1 1 69 69 ALA CA C 69 49.203 51.113 -1.910 17414 7043 1 15 . 1 1 69 69 ALA CB C 69 22.138 23.497 -1.359 17414 7044 1 15 . 1 1 70 70 THR N N 70 111.459 110.933 0.526 17414 7045 1 15 . 1 1 70 70 THR HA H 70 5.152 4.897 0.255 17414 7046 1 15 . 1 1 70 70 THR CA C 70 60.495 60.290 0.205 17414 7047 1 15 . 1 1 70 70 THR CB C 70 67.570 69.049 -1.479 17414 7048 1 15 . 1 1 71 71 PRO HA H 71 4.165 4.518 -0.353 17414 7049 1 15 . 1 1 71 71 PRO CA C 71 64.390 64.854 -0.464 17414 7050 1 15 . 1 1 72 72 ASP N N 72 112.234 116.453 -4.219 17414 7051 1 15 . 1 1 72 72 ASP HA H 72 4.505 4.816 -0.311 17414 7052 1 15 . 1 1 72 72 ASP CA C 72 52.827 54.505 -1.678 17414 7053 1 15 . 1 1 73 73 HIS N N 73 125.389 119.976 5.413 17414 7054 1 15 . 1 1 73 73 HIS HA H 73 3.796 4.493 -0.697 17414 7055 1 15 . 1 1 73 73 HIS CA C 73 58.310 56.640 1.670 17414 7056 1 15 . 1 1 73 73 HIS CB C 73 32.385 30.482 1.903 17414 7057 1 15 . 1 1 74 74 LYS N N 74 127.412 125.623 1.789 17414 7058 1 15 . 1 1 74 74 LYS HA H 74 4.661 4.688 -0.027 17414 7059 1 15 . 1 1 74 74 LYS CA C 74 56.845 56.438 0.407 17414 7060 1 15 . 1 1 75 75 VAL N N 75 125.726 125.760 -0.034 17414 7061 1 15 . 1 1 75 75 VAL HA H 75 4.754 4.638 0.116 17414 7062 1 15 . 1 1 75 75 VAL CA C 75 60.739 61.945 -1.206 17414 7063 1 15 . 1 1 75 75 VAL CB C 75 35.276 31.419 3.857 17414 7064 1 15 . 1 1 76 76 LEU N N 76 129.759 130.625 -0.866 17414 7065 1 15 . 1 1 76 76 LEU HA H 76 3.514 3.890 -0.376 17414 7066 1 15 . 1 1 76 76 LEU CA C 76 55.222 56.202 -0.980 17414 7067 1 15 . 1 1 76 76 LEU CB C 76 39.052 41.866 -2.814 17414 7068 1 15 . 1 1 77 77 THR N N 77 116.138 117.487 -1.349 17414 7069 1 15 . 1 1 77 77 THR HA H 77 5.295 4.789 0.506 17414 7070 1 15 . 1 1 77 77 THR CA C 77 59.543 59.931 -0.388 17414 7071 1 15 . 1 1 78 78 GLU N N 78 119.986 119.602 0.384 17414 7072 1 15 . 1 1 78 78 GLU HA H 78 3.558 3.859 -0.301 17414 7073 1 15 . 1 1 78 78 GLU CA C 78 57.551 58.466 -0.915 17414 7074 1 15 . 1 1 78 78 GLU CB C 78 28.385 28.579 -0.194 17414 7075 1 15 . 1 1 79 79 TYR N N 79 117.251 118.487 -1.236 17414 7076 1 15 . 1 1 79 79 TYR HA H 79 4.749 4.575 0.174 17414 7077 1 15 . 1 1 79 79 TYR CA C 79 55.553 58.074 -2.521 17414 7078 1 15 . 1 1 79 79 TYR CB C 79 37.935 39.109 -1.174 17414 7079 1 15 . 1 1 80 80 GLY N N 80 106.884 107.377 -0.493 17414 7080 1 15 . 1 1 80 80 GLY CA C 80 42.757 44.122 -1.365 17414 7081 1 15 . 1 1 81 81 TRP N N 81 125.593 122.821 2.772 17414 7082 1 15 . 1 1 81 81 TRP HA H 81 4.884 4.919 -0.035 17414 7083 1 15 . 1 1 81 81 TRP CA C 81 57.790 57.951 -0.161 17414 7084 1 15 . 1 1 81 81 TRP CB C 81 29.255 30.141 -0.886 17414 7085 1 15 . 1 1 82 82 ARG N N 82 124.625 123.033 1.592 17414 7086 1 15 . 1 1 82 82 ARG HA H 82 4.773 5.040 -0.267 17414 7087 1 15 . 1 1 82 82 ARG CA C 82 53.895 54.047 -0.152 17414 7088 1 15 . 1 1 83 83 ALA N N 83 125.891 127.260 -1.369 17414 7089 1 15 . 1 1 83 83 ALA HA H 83 4.293 4.377 -0.084 17414 7090 1 15 . 1 1 83 83 ALA CA C 83 51.686 52.637 -0.951 17414 7091 1 15 . 1 1 84 84 ALA N N 84 125.790 126.279 -0.489 17414 7092 1 15 . 1 1 84 84 ALA HA H 84 3.930 4.006 -0.076 17414 7093 1 15 . 1 1 84 84 ALA CB C 84 17.269 18.500 -1.231 17414 7094 1 15 . 1 1 85 85 GLY N N 85 102.306 104.969 -2.663 17414 7095 1 15 . 1 1 86 86 GLU N N 86 117.564 118.181 -0.617 17414 7096 1 15 . 1 1 86 86 GLU HA H 86 4.414 4.467 -0.053 17414 7097 1 15 . 1 1 86 86 GLU CA C 86 55.233 56.655 -1.422 17414 7098 1 15 . 1 1 86 86 GLU CB C 86 30.231 30.197 0.034 17414 7099 1 15 . 1 1 87 87 LEU N N 87 119.746 121.764 -2.018 17414 7100 1 15 . 1 1 87 87 LEU HA H 87 4.417 4.561 -0.144 17414 7101 1 15 . 1 1 87 87 LEU CA C 87 54.274 54.393 -0.119 17414 7102 1 15 . 1 1 87 87 LEU CB C 87 41.471 42.820 -1.349 17414 7103 1 15 . 1 1 88 88 ARG N N 88 120.899 121.985 -1.086 17414 7104 1 15 . 1 1 88 88 ARG HA H 88 4.627 4.960 -0.333 17414 7105 1 15 . 1 1 88 88 ARG CA C 88 52.594 53.899 -1.305 17414 7106 1 15 . 1 1 89 89 LYS N N 89 119.795 124.160 -4.365 17414 7107 1 15 . 1 1 89 89 LYS HA H 89 3.669 4.185 -0.516 17414 7108 1 15 . 1 1 89 89 LYS CA C 89 57.770 56.273 1.497 17414 7109 1 15 . 1 1 90 90 GLY N N 90 115.070 109.520 5.550 17414 7110 1 15 . 1 1 90 90 GLY CA C 90 44.499 45.488 -0.989 17414 7111 1 15 . 1 1 91 91 ASP N N 91 121.652 121.670 -0.018 17414 7112 1 15 . 1 1 91 91 ASP HA H 91 4.716 4.740 -0.024 17414 7113 1 15 . 1 1 91 91 ASP CA C 91 55.866 54.300 1.566 17414 7114 1 15 . 1 1 92 92 ARG N N 92 117.826 122.739 -4.913 17414 7115 1 15 . 1 1 92 92 ARG HA H 92 5.241 5.103 0.138 17414 7116 1 15 . 1 1 92 92 ARG CA C 92 54.976 55.636 -0.660 17414 7117 1 15 . 1 1 92 92 ARG CB C 92 31.655 31.975 -0.320 17414 7118 1 15 . 1 1 93 93 VAL N N 93 115.034 118.356 -3.322 17414 7119 1 15 . 1 1 93 93 VAL HA H 93 4.839 4.896 -0.057 17414 7120 1 15 . 1 1 93 93 VAL CA C 93 58.222 59.055 -0.833 17414 7121 1 15 . 1 1 94 94 ALA N N 94 126.192 124.796 1.396 17414 7122 1 15 . 1 1 94 94 ALA HA H 94 4.271 3.784 0.487 17414 7123 1 15 . 1 1 94 94 ALA CA C 94 50.975 51.574 -0.599 17414 7124 1 15 . 1 1 94 94 ALA CB C 94 18.748 18.647 0.101 17414 7125 1 15 . 1 1 95 95 VAL N N 95 115.179 116.469 -1.290 17414 7126 1 15 . 1 1 95 95 VAL HA H 95 5.317 4.852 0.465 17414 7127 1 15 . 1 1 95 95 VAL CA C 95 57.154 58.584 -1.430 17414 7128 1 15 . 1 1 95 95 VAL CB C 95 35.186 35.547 -0.361 17414 7129 1 15 . 1 1 96 96 ARG N N 96 119.288 123.375 -4.087 17414 7130 1 15 . 1 1 96 96 ARG HA H 96 4.230 4.557 -0.327 17414 7131 1 15 . 1 1 96 96 ARG CA C 96 53.613 55.113 -1.500 17414 7132 1 15 . 1 1 96 96 ARG CB C 96 31.697 31.521 0.176 17414 7133 1 15 . 1 1 97 97 ASP N N 97 131.180 125.821 5.359 17414 7134 1 15 . 1 1 97 97 ASP HA H 97 4.415 4.778 -0.363 17414 7135 1 15 . 1 1 97 97 ASP CA C 97 53.887 52.986 0.901 17414 7136 1 15 . 1 1 97 97 ASP CB C 97 42.723 42.159 0.564 17414 7137 1 15 . 1 1 98 98 VAL N N 98 126.152 125.628 0.524 17414 7138 1 15 . 1 1 98 98 VAL HA H 98 3.489 3.746 -0.257 17414 7139 1 15 . 1 1 98 98 VAL CA C 98 64.431 66.180 -1.749 17414 7140 1 15 . 1 1 98 98 VAL CB C 98 31.047 31.372 -0.325 17414 7141 1 15 . 1 1 99 99 GLU N N 99 118.883 120.864 -1.981 17414 7142 1 15 . 1 1 99 99 GLU HA H 99 4.127 4.055 0.072 17414 7143 1 15 . 1 1 99 99 GLU CA C 99 58.178 59.062 -0.884 17414 7144 1 15 . 1 1 99 99 GLU CB C 99 29.591 29.844 -0.253 17414 7145 1 15 . 1 1 100 100 THR N N 100 106.301 107.815 -1.514 17414 7146 1 15 . 1 1 100 100 THR HA H 100 4.316 4.390 -0.074 17414 7147 1 15 . 1 1 100 100 THR CA C 100 61.407 62.092 -0.685 17414 7148 1 15 . 1 1 100 100 THR CB C 100 70.856 70.418 0.438 17414 7149 1 15 . 1 1 101 101 GLY N N 101 111.204 111.929 -0.725 17414 7150 1 15 . 1 1 101 101 GLY CA C 101 45.284 45.491 -0.207 17414 7151 1 15 . 1 1 102 102 GLU N N 102 118.458 120.621 -2.163 17414 7152 1 15 . 1 1 102 102 GLU HA H 102 4.301 4.471 -0.170 17414 7153 1 15 . 1 1 102 102 GLU CA C 102 55.160 55.728 -0.568 17414 7154 1 15 . 1 1 102 102 GLU CB C 102 31.769 30.984 0.785 17414 7155 1 15 . 1 1 103 103 LEU N N 103 121.701 120.382 1.319 17414 7156 1 15 . 1 1 103 103 LEU HA H 103 4.716 4.871 -0.155 17414 7157 1 15 . 1 1 103 103 LEU CA C 103 54.930 53.751 1.179 17414 7158 1 15 . 1 1 103 103 LEU CB C 103 42.346 43.033 -0.687 17414 7159 1 15 . 1 1 104 104 ARG N N 104 127.157 120.534 6.623 17414 7160 1 15 . 1 1 104 104 ARG HA H 104 4.403 4.924 -0.521 17414 7161 1 15 . 1 1 104 104 ARG CA C 104 53.201 53.902 -0.701 17414 7162 1 15 . 1 1 104 104 ARG CB C 104 32.989 33.703 -0.714 17414 7163 1 15 . 1 1 105 105 TYR N N 105 116.202 119.705 -3.503 17414 7164 1 15 . 1 1 105 105 TYR HA H 105 5.490 5.317 0.173 17414 7165 1 15 . 1 1 105 105 TYR CA C 105 56.831 57.306 -0.475 17414 7166 1 15 . 1 1 105 105 TYR CB C 105 40.116 40.871 -0.755 17414 7167 1 15 . 1 1 106 106 SER N N 106 118.250 114.998 3.252 17414 7168 1 15 . 1 1 106 106 SER HA H 106 4.807 5.045 -0.238 17414 7169 1 15 . 1 1 106 106 SER CA C 106 55.888 57.612 -1.724 17414 7170 1 15 . 1 1 106 106 SER CB C 106 66.301 66.873 -0.572 17414 7171 1 15 . 1 1 107 107 VAL N N 107 122.160 121.476 0.684 17414 7172 1 15 . 1 1 107 107 VAL HA H 107 4.423 4.543 -0.120 17414 7173 1 15 . 1 1 107 107 VAL CA C 107 61.369 61.216 0.153 17414 7174 1 15 . 1 1 107 107 VAL CB C 107 33.633 33.491 0.142 17414 7175 1 15 . 1 1 108 108 ILE N N 108 123.427 125.777 -2.350 17414 7176 1 15 . 1 1 108 108 ILE HA H 108 4.100 4.117 -0.017 17414 7177 1 15 . 1 1 108 108 ILE CA C 108 61.321 61.664 -0.343 17414 7178 1 15 . 1 1 108 108 ILE CB C 108 37.408 37.273 0.135 17414 7179 1 15 . 1 1 109 109 ARG N N 109 130.207 127.642 2.565 17414 7180 1 15 . 1 1 109 109 ARG HA H 109 4.254 4.334 -0.080 17414 7181 1 15 . 1 1 109 109 ARG CA C 109 55.904 57.541 -1.637 17414 7182 1 15 . 1 1 110 110 GLU N N 110 116.804 117.820 -1.016 17414 7183 1 15 . 1 1 110 110 GLU HA H 110 4.274 4.601 -0.327 17414 7184 1 15 . 1 1 110 110 GLU CA C 110 55.889 56.144 -0.255 17414 7185 1 15 . 1 1 110 110 GLU CB C 110 33.186 33.491 -0.305 17414 7186 1 15 . 1 1 111 111 VAL N N 111 125.709 126.716 -1.007 17414 7187 1 15 . 1 1 111 111 VAL HA H 111 4.709 4.574 0.135 17414 7188 1 15 . 1 1 111 111 VAL CA C 111 60.903 61.420 -0.517 17414 7189 1 15 . 1 1 111 111 VAL CB C 111 31.927 33.299 -1.372 17414 7190 1 15 . 1 1 112 112 LEU N N 112 132.638 128.332 4.306 17414 7191 1 15 . 1 1 112 112 LEU HA H 112 4.741 4.832 -0.091 17414 7192 1 15 . 1 1 112 112 LEU CA C 112 52.655 51.845 0.810 17414 7193 1 15 . 1 1 112 112 LEU CB C 112 40.998 41.789 -0.791 17414 7194 1 15 . 1 1 113 113 PRO HA H 113 4.532 4.614 -0.082 17414 7195 1 15 . 1 1 113 113 PRO CA C 113 61.916 62.328 -0.412 17414 7196 1 15 . 1 1 113 113 PRO CB C 113 32.608 32.473 0.135 17414 7197 1 15 . 1 1 114 114 THR N N 114 112.542 112.528 0.014 17414 7198 1 15 . 1 1 114 114 THR HA H 114 4.973 4.734 0.239 17414 7199 1 15 . 1 1 114 114 THR CA C 114 61.865 61.367 0.498 17414 7200 1 15 . 1 1 114 114 THR CB C 114 69.345 70.336 -0.991 17414 7201 1 15 . 1 1 115 115 ARG N N 115 123.213 120.300 2.913 17414 7202 1 15 . 1 1 115 115 ARG HA H 115 4.694 4.997 -0.303 17414 7203 1 15 . 1 1 115 115 ARG CA C 115 54.302 54.471 -0.169 17414 7204 1 15 . 1 1 115 115 ARG CB C 115 32.684 33.897 -1.213 17414 7205 1 15 . 1 1 116 116 ARG N N 116 119.004 122.548 -3.544 17414 7206 1 15 . 1 1 116 116 ARG HA H 116 4.879 4.532 0.347 17414 7207 1 15 . 1 1 116 116 ARG CA C 116 54.554 56.395 -1.841 17414 7208 1 15 . 1 1 116 116 ARG CB C 116 30.285 30.547 -0.262 17414 7209 1 15 . 1 1 117 117 ALA N N 117 124.834 124.641 0.193 17414 7210 1 15 . 1 1 117 117 ALA HA H 117 4.599 4.734 -0.135 17414 7211 1 15 . 1 1 117 117 ALA CA C 117 50.434 50.956 -0.522 17414 7212 1 15 . 1 1 117 117 ALA CB C 117 23.139 23.023 0.116 17414 7213 1 15 . 1 1 118 118 ARG N N 118 120.885 119.107 1.778 17414 7214 1 15 . 1 1 118 118 ARG HA H 118 3.925 4.613 -0.688 17414 7215 1 15 . 1 1 118 118 ARG CA C 118 57.559 55.789 1.770 17414 7216 1 15 . 1 1 118 118 ARG CB C 118 30.409 31.249 -0.840 17414 7217 1 15 . 1 1 119 119 THR N N 119 111.492 113.187 -1.695 17414 7218 1 15 . 1 1 119 119 THR HA H 119 5.309 5.398 -0.089 17414 7219 1 15 . 1 1 119 119 THR CA C 119 60.071 59.354 0.717 17414 7220 1 15 . 1 1 119 119 THR CB C 119 72.737 71.698 1.039 17414 7221 1 15 . 1 1 120 120 PHE N N 120 113.949 119.920 -5.971 17414 7222 1 15 . 1 1 120 120 PHE HA H 120 5.311 5.292 0.019 17414 7223 1 15 . 1 1 120 120 PHE CA C 120 57.898 56.178 1.720 17414 7224 1 15 . 1 1 120 120 PHE CB C 120 46.203 43.701 2.502 17414 7225 1 15 . 1 1 121 121 ASP N N 121 118.841 119.421 -0.580 17414 7226 1 15 . 1 1 121 121 ASP HA H 121 5.352 5.533 -0.181 17414 7227 1 15 . 1 1 121 121 ASP CA C 121 55.227 53.353 1.874 17414 7228 1 15 . 1 1 121 121 ASP CB C 121 47.673 44.012 3.661 17414 7229 1 15 . 1 1 122 122 LEU N N 122 118.637 125.233 -6.596 17414 7230 1 15 . 1 1 122 122 LEU HA H 122 4.809 4.983 -0.174 17414 7231 1 15 . 1 1 122 122 LEU CB C 122 45.915 44.067 1.848 17414 7232 1 15 . 1 1 123 123 GLU N N 123 118.694 124.909 -6.215 17414 7233 1 15 . 1 1 123 123 GLU HA H 123 4.515 4.499 0.016 17414 7234 1 15 . 1 1 123 123 GLU CA C 123 54.697 55.615 -0.918 17414 7235 1 15 . 1 1 124 124 VAL N N 124 129.259 127.692 1.567 17414 7236 1 15 . 1 1 124 124 VAL HA H 124 4.065 3.958 0.107 17414 7237 1 15 . 1 1 124 124 VAL CA C 124 61.193 63.082 -1.889 17414 7238 1 15 . 1 1 124 124 VAL CB C 124 33.607 31.427 2.180 17414 7239 1 15 . 1 1 125 125 GLU N N 125 128.432 128.545 -0.113 17414 7240 1 15 . 1 1 125 125 GLU HA H 125 3.672 3.957 -0.285 17414 7241 1 15 . 1 1 125 125 GLU CA C 125 58.494 59.850 -1.356 17414 7242 1 15 . 1 1 125 125 GLU CB C 125 30.552 29.414 1.138 17414 7243 1 15 . 1 1 126 126 GLU N N 126 120.993 124.033 -3.040 17414 7244 1 15 . 1 1 126 126 GLU HA H 126 3.570 4.357 -0.787 17414 7245 1 15 . 1 1 126 126 GLU CA C 126 61.229 57.810 3.419 17414 7246 1 15 . 1 1 126 126 GLU CB C 126 29.621 30.493 -0.872 17414 7247 1 15 . 1 1 127 127 LEU N N 127 120.945 121.323 -0.378 17414 7248 1 15 . 1 1 127 127 LEU HA H 127 4.205 4.365 -0.160 17414 7249 1 15 . 1 1 127 127 LEU CA C 127 55.681 54.137 1.544 17414 7250 1 15 . 1 1 128 128 HIS HA H 128 4.584 4.913 -0.329 17414 7251 1 15 . 1 1 128 128 HIS CA C 128 54.566 55.752 -1.186 17414 7252 1 15 . 1 1 128 128 HIS CB C 128 26.062 28.824 -2.762 17414 7253 1 15 . 1 1 129 129 THR N N 129 105.639 117.798 -12.159 17414 7254 1 15 . 1 1 129 129 THR HA H 129 4.899 4.612 0.287 17414 7255 1 15 . 1 1 129 129 THR CA C 129 58.380 61.052 -2.672 17414 7256 1 15 . 1 1 129 129 THR CB C 129 72.980 71.036 1.944 17414 7257 1 15 . 1 1 130 130 LEU N N 130 111.598 122.918 -11.320 17414 7258 1 15 . 1 1 130 130 LEU HA H 130 5.537 5.234 0.303 17414 7259 1 15 . 1 1 130 130 LEU CA C 130 54.683 53.739 0.944 17414 7260 1 15 . 1 1 130 130 LEU CB C 130 44.277 45.437 -1.160 17414 7261 1 15 . 1 1 131 131 VAL N N 131 119.670 120.679 -1.009 17414 7262 1 15 . 1 1 131 131 VAL HA H 131 4.830 4.974 -0.144 17414 7263 1 15 . 1 1 131 131 VAL CA C 131 61.285 61.308 -0.023 17414 7264 1 15 . 1 1 131 131 VAL CB C 131 30.272 32.933 -2.661 17414 7265 1 15 . 1 1 132 132 ALA N N 132 134.824 129.424 5.400 17414 7266 1 15 . 1 1 132 132 ALA HA H 132 4.931 4.919 0.012 17414 7267 1 15 . 1 1 132 132 ALA CA C 132 49.999 50.663 -0.664 17414 7268 1 15 . 1 1 132 132 ALA CB C 132 21.422 21.662 -0.240 17414 7269 1 15 . 1 1 133 133 GLU N N 133 118.979 125.145 -6.166 17414 7270 1 15 . 1 1 133 133 GLU HA H 133 3.826 4.066 -0.240 17414 7271 1 15 . 1 1 133 133 GLU CA C 133 57.065 57.738 -0.673 17414 7272 1 15 . 1 1 133 133 GLU CB C 133 26.406 28.331 -1.925 17414 7273 1 15 . 1 1 134 134 GLY N N 134 100.017 104.398 -4.381 17414 7274 1 15 . 1 1 134 134 GLY CA C 134 45.352 46.252 -0.900 17414 7275 1 15 . 1 1 135 135 VAL N N 135 122.381 119.750 2.631 17414 7276 1 15 . 1 1 135 135 VAL HA H 135 4.560 4.675 -0.115 17414 7277 1 15 . 1 1 135 135 VAL CA C 135 60.885 60.362 0.523 17414 7278 1 15 . 1 1 135 135 VAL CB C 135 32.542 35.207 -2.665 17414 7279 1 15 . 1 1 136 136 VAL N N 136 126.302 126.054 0.248 17414 7280 1 15 . 1 1 136 136 VAL HA H 136 4.254 4.758 -0.504 17414 7281 1 15 . 1 1 136 136 VAL CA C 136 63.608 61.541 2.067 17414 7282 1 15 . 1 1 136 136 VAL CB C 136 30.519 32.784 -2.265 17414 7283 1 15 . 1 1 137 137 VAL N N 137 118.757 120.785 -2.028 17414 7284 1 15 . 1 1 137 137 VAL HA H 137 5.743 5.197 0.546 17414 7285 1 15 . 1 1 137 137 VAL CA C 137 58.252 59.754 -1.502 17414 7286 1 15 . 1 1 137 137 VAL CB C 137 36.378 35.944 0.434 17414 7287 1 15 . 1 1 138 138 HIS N N 138 120.902 123.638 -2.736 17414 7288 1 15 . 1 1 138 138 HIS HA H 138 4.434 4.492 -0.058 17414 7289 1 15 . 1 1 138 138 HIS CA C 138 56.439 56.947 -0.508 17414 7290 1 15 . 1 1 138 138 HIS CB C 138 30.583 30.123 0.460 17414 7291 1 16 . 1 1 2 2 LEU N N 2 122.945 123.007 -0.062 17414 7292 1 16 . 1 1 2 2 LEU HA H 2 5.005 4.889 0.116 17414 7293 1 16 . 1 1 2 2 LEU CA C 2 53.355 53.581 -0.226 17414 7294 1 16 . 1 1 2 2 LEU CB C 2 43.858 43.450 0.408 17414 7295 1 16 . 1 1 3 3 ALA N N 3 121.232 127.267 -6.035 17414 7296 1 16 . 1 1 3 3 ALA HA H 3 4.730 4.633 0.097 17414 7297 1 16 . 1 1 3 3 ALA CA C 3 52.302 51.914 0.388 17414 7298 1 16 . 1 1 3 3 ALA CB C 3 21.769 19.390 2.379 17414 7299 1 16 . 1 1 4 4 GLU N N 4 121.283 121.327 -0.044 17414 7300 1 16 . 1 1 4 4 GLU HA H 4 4.074 3.926 0.148 17414 7301 1 16 . 1 1 4 4 GLU CA C 4 57.136 58.318 -1.182 17414 7302 1 16 . 1 1 4 4 GLU CB C 4 31.847 29.452 2.395 17414 7303 1 16 . 1 1 5 5 GLY N N 5 119.858 115.274 4.584 17414 7304 1 16 . 1 1 5 5 GLY CA C 5 44.157 45.154 -0.997 17414 7305 1 16 . 1 1 6 6 THR N N 6 117.099 116.859 0.240 17414 7306 1 16 . 1 1 6 6 THR HA H 6 4.301 4.195 0.106 17414 7307 1 16 . 1 1 6 6 THR CA C 6 65.228 63.800 1.428 17414 7308 1 16 . 1 1 6 6 THR CB C 6 68.654 69.217 -0.563 17414 7309 1 16 . 1 1 7 7 ARG N N 7 130.107 127.521 2.586 17414 7310 1 16 . 1 1 7 7 ARG HA H 7 4.878 4.867 0.011 17414 7311 1 16 . 1 1 7 7 ARG CA C 7 55.868 55.987 -0.119 17414 7312 1 16 . 1 1 8 8 ILE N N 8 123.872 125.531 -1.659 17414 7313 1 16 . 1 1 8 8 ILE HA H 8 4.531 4.757 -0.226 17414 7314 1 16 . 1 1 8 8 ILE CA C 8 59.240 60.116 -0.876 17414 7315 1 16 . 1 1 8 8 ILE CB C 8 40.450 38.668 1.782 17414 7316 1 16 . 1 1 9 9 PHE N N 9 129.317 129.452 -0.135 17414 7317 1 16 . 1 1 9 9 PHE HA H 9 4.832 4.826 0.006 17414 7318 1 16 . 1 1 9 9 PHE CA C 9 56.960 59.134 -2.174 17414 7319 1 16 . 1 1 9 9 PHE CB C 9 40.542 40.030 0.512 17414 7320 1 16 . 1 1 10 10 ASP N N 10 128.073 126.788 1.285 17414 7321 1 16 . 1 1 10 10 ASP HA H 10 5.529 4.935 0.594 17414 7322 1 16 . 1 1 10 10 ASP CA C 10 49.160 49.586 -0.426 17414 7323 1 16 . 1 1 10 10 ASP CB C 10 43.037 41.800 1.237 17414 7324 1 16 . 1 1 11 11 PRO HA H 11 3.974 4.463 -0.489 17414 7325 1 16 . 1 1 11 11 PRO CA C 11 62.348 64.985 -2.637 17414 7326 1 16 . 1 1 11 11 PRO CB C 11 30.977 32.085 -1.108 17414 7327 1 16 . 1 1 12 12 VAL N N 12 124.105 116.348 7.757 17414 7328 1 16 . 1 1 12 12 VAL HA H 12 3.591 3.654 -0.063 17414 7329 1 16 . 1 1 12 12 VAL CA C 12 64.849 65.819 -0.970 17414 7330 1 16 . 1 1 13 13 THR N N 13 107.133 109.021 -1.888 17414 7331 1 16 . 1 1 13 13 THR HA H 13 4.228 4.325 -0.097 17414 7332 1 16 . 1 1 13 13 THR CA C 13 60.944 62.756 -1.812 17414 7333 1 16 . 1 1 13 13 THR CB C 13 69.447 70.510 -1.063 17414 7334 1 16 . 1 1 14 14 GLY N N 14 112.897 112.412 0.485 17414 7335 1 16 . 1 1 14 14 GLY CA C 14 45.650 45.853 -0.203 17414 7336 1 16 . 1 1 15 15 THR N N 15 117.286 115.951 1.335 17414 7337 1 16 . 1 1 15 15 THR HA H 15 4.276 4.711 -0.435 17414 7338 1 16 . 1 1 15 15 THR CA C 15 61.382 61.171 0.211 17414 7339 1 16 . 1 1 15 15 THR CB C 15 70.037 71.340 -1.303 17414 7340 1 16 . 1 1 16 16 THR N N 16 120.518 119.350 1.168 17414 7341 1 16 . 1 1 16 16 THR HA H 16 4.911 4.651 0.260 17414 7342 1 16 . 1 1 16 16 THR CA C 16 62.321 62.270 0.051 17414 7343 1 16 . 1 1 16 16 THR CB C 16 69.184 69.255 -0.071 17414 7344 1 16 . 1 1 17 17 HIS N N 17 127.011 126.164 0.847 17414 7345 1 16 . 1 1 17 17 HIS HA H 17 4.586 5.052 -0.466 17414 7346 1 16 . 1 1 17 17 HIS CA C 17 54.406 54.858 -0.452 17414 7347 1 16 . 1 1 17 17 HIS CB C 17 35.299 32.235 3.064 17414 7348 1 16 . 1 1 18 18 ARG N N 18 120.890 121.571 -0.681 17414 7349 1 16 . 1 1 18 18 ARG HA H 18 4.679 4.473 0.206 17414 7350 1 16 . 1 1 18 18 ARG CA C 18 54.802 54.925 -0.123 17414 7351 1 16 . 1 1 18 18 ARG CB C 18 29.657 31.790 -2.133 17414 7352 1 16 . 1 1 19 19 ILE N N 19 125.005 126.312 -1.307 17414 7353 1 16 . 1 1 19 19 ILE HA H 19 3.696 3.849 -0.153 17414 7354 1 16 . 1 1 19 19 ILE CA C 19 66.021 64.035 1.986 17414 7355 1 16 . 1 1 19 19 ILE CB C 19 37.936 37.738 0.198 17414 7356 1 16 . 1 1 20 20 GLU N N 20 123.813 119.565 4.248 17414 7357 1 16 . 1 1 20 20 GLU HA H 20 2.787 3.980 -1.193 17414 7358 1 16 . 1 1 20 20 GLU CA C 20 57.675 59.011 -1.336 17414 7359 1 16 . 1 1 20 20 GLU CB C 20 28.945 29.051 -0.106 17414 7360 1 16 . 1 1 21 21 ASP N N 21 123.330 120.802 2.528 17414 7361 1 16 . 1 1 21 21 ASP HA H 21 4.489 4.399 0.090 17414 7362 1 16 . 1 1 21 21 ASP CA C 21 55.734 56.634 -0.900 17414 7363 1 16 . 1 1 21 21 ASP CB C 21 40.038 41.027 -0.989 17414 7364 1 16 . 1 1 22 22 VAL N N 22 121.407 119.491 1.916 17414 7365 1 16 . 1 1 22 22 VAL HA H 22 3.303 3.609 -0.306 17414 7366 1 16 . 1 1 22 22 VAL CA C 22 65.768 66.358 -0.590 17414 7367 1 16 . 1 1 22 22 VAL CB C 22 31.327 31.509 -0.182 17414 7368 1 16 . 1 1 23 23 VAL N N 23 116.800 120.735 -3.935 17414 7369 1 16 . 1 1 23 23 VAL HA H 23 3.928 3.610 0.318 17414 7370 1 16 . 1 1 23 23 VAL CA C 23 66.310 66.271 0.039 17414 7371 1 16 . 1 1 24 24 GLY N N 24 120.577 108.320 12.257 17414 7372 1 16 . 1 1 25 25 GLY N N 25 103.034 108.554 -5.520 17414 7373 1 16 . 1 1 25 25 GLY CA C 25 43.755 44.959 -1.204 17414 7374 1 16 . 1 1 26 26 ARG N N 26 122.306 115.335 6.971 17414 7375 1 16 . 1 1 26 26 ARG HA H 26 1.544 3.915 -2.371 17414 7376 1 16 . 1 1 26 26 ARG CA C 26 55.119 56.898 -1.779 17414 7377 1 16 . 1 1 26 26 ARG CB C 26 26.620 28.329 -1.709 17414 7378 1 16 . 1 1 27 27 LYS N N 27 115.887 119.724 -3.837 17414 7379 1 16 . 1 1 27 27 LYS HA H 27 4.168 4.560 -0.392 17414 7380 1 16 . 1 1 27 27 LYS CB C 27 33.503 33.057 0.446 17414 7381 1 16 . 1 1 28 28 PRO HA H 28 5.145 4.747 0.398 17414 7382 1 16 . 1 1 28 28 PRO CA C 28 61.507 62.936 -1.429 17414 7383 1 16 . 1 1 28 28 PRO CB C 28 27.787 31.342 -3.555 17414 7384 1 16 . 1 1 29 29 ILE N N 29 116.657 117.797 -1.140 17414 7385 1 16 . 1 1 29 29 ILE HA H 29 4.443 5.174 -0.731 17414 7386 1 16 . 1 1 29 29 ILE CA C 29 60.723 58.872 1.851 17414 7387 1 16 . 1 1 29 29 ILE CB C 29 38.563 40.897 -2.334 17414 7388 1 16 . 1 1 30 30 HIS N N 30 118.274 118.095 0.179 17414 7389 1 16 . 1 1 30 30 HIS HA H 30 5.152 5.272 -0.120 17414 7390 1 16 . 1 1 30 30 HIS CA C 30 55.902 54.311 1.591 17414 7391 1 16 . 1 1 30 30 HIS CB C 30 30.925 33.797 -2.872 17414 7392 1 16 . 1 1 31 31 VAL N N 31 107.262 115.437 -8.175 17414 7393 1 16 . 1 1 31 31 VAL HA H 31 5.212 4.803 0.409 17414 7394 1 16 . 1 1 31 31 VAL CA C 31 57.692 59.159 -1.467 17414 7395 1 16 . 1 1 31 31 VAL CB C 31 34.153 35.974 -1.821 17414 7396 1 16 . 1 1 32 32 VAL N N 32 119.900 122.982 -3.082 17414 7397 1 16 . 1 1 32 32 VAL HA H 32 4.246 4.450 -0.204 17414 7398 1 16 . 1 1 32 32 VAL CA C 32 62.504 62.695 -0.191 17414 7399 1 16 . 1 1 33 33 ALA N N 33 128.967 129.997 -1.030 17414 7400 1 16 . 1 1 33 33 ALA HA H 33 4.522 5.337 -0.815 17414 7401 1 16 . 1 1 33 33 ALA CA C 33 49.594 50.023 -0.429 17414 7402 1 16 . 1 1 33 33 ALA CB C 33 23.635 21.794 1.841 17414 7403 1 16 . 1 1 34 34 ALA N N 34 121.236 123.566 -2.330 17414 7404 1 16 . 1 1 34 34 ALA HA H 34 5.207 5.568 -0.361 17414 7405 1 16 . 1 1 34 34 ALA CA C 34 49.704 50.082 -0.378 17414 7406 1 16 . 1 1 35 35 ALA N N 35 125.943 123.098 2.845 17414 7407 1 16 . 1 1 35 35 ALA HA H 35 4.633 4.719 -0.086 17414 7408 1 16 . 1 1 35 35 ALA CA C 35 50.168 49.881 0.287 17414 7409 1 16 . 1 1 35 35 ALA CB C 35 20.121 21.519 -1.398 17414 7410 1 16 . 1 1 36 36 LYS N N 36 121.159 117.616 3.543 17414 7411 1 16 . 1 1 36 36 LYS HA H 36 4.272 4.112 0.160 17414 7412 1 16 . 1 1 36 36 LYS CA C 36 58.723 58.581 0.142 17414 7413 1 16 . 1 1 37 37 ASP N N 37 115.815 117.391 -1.576 17414 7414 1 16 . 1 1 37 37 ASP HA H 37 4.526 4.695 -0.169 17414 7415 1 16 . 1 1 37 37 ASP CA C 37 52.534 54.183 -1.649 17414 7416 1 16 . 1 1 37 37 ASP CB C 37 39.654 41.426 -1.772 17414 7417 1 16 . 1 1 38 38 GLY N N 38 107.649 107.714 -0.065 17414 7418 1 16 . 1 1 38 38 GLY CA C 38 45.025 45.217 -0.192 17414 7419 1 16 . 1 1 39 39 THR N N 39 110.428 113.337 -2.909 17414 7420 1 16 . 1 1 39 39 THR HA H 39 4.265 4.515 -0.250 17414 7421 1 16 . 1 1 39 39 THR CA C 39 60.883 61.102 -0.219 17414 7422 1 16 . 1 1 39 39 THR CB C 39 70.144 71.255 -1.111 17414 7423 1 16 . 1 1 40 40 LEU N N 40 120.829 123.938 -3.109 17414 7424 1 16 . 1 1 40 40 LEU HA H 40 5.312 5.260 0.052 17414 7425 1 16 . 1 1 40 40 LEU CA C 40 53.146 53.604 -0.458 17414 7426 1 16 . 1 1 40 40 LEU CB C 40 41.870 42.989 -1.119 17414 7427 1 16 . 1 1 41 41 HIS N N 41 120.175 124.408 -4.233 17414 7428 1 16 . 1 1 41 41 HIS HA H 41 4.622 5.278 -0.656 17414 7429 1 16 . 1 1 41 41 HIS CA C 41 54.675 54.318 0.357 17414 7430 1 16 . 1 1 41 41 HIS CB C 41 35.374 33.335 2.039 17414 7431 1 16 . 1 1 42 42 ALA N N 42 125.084 128.507 -3.423 17414 7432 1 16 . 1 1 42 42 ALA HA H 42 5.530 4.466 1.064 17414 7433 1 16 . 1 1 42 42 ALA CA C 42 50.934 52.335 -1.401 17414 7434 1 16 . 1 1 42 42 ALA CB C 42 18.920 19.588 -0.668 17414 7435 1 16 . 1 1 43 43 ARG N N 43 124.440 121.458 2.982 17414 7436 1 16 . 1 1 43 43 ARG HA H 43 5.177 4.788 0.389 17414 7437 1 16 . 1 1 43 43 ARG CA C 43 50.736 52.719 -1.983 17414 7438 1 16 . 1 1 43 43 ARG CB C 43 35.105 33.265 1.840 17414 7439 1 16 . 1 1 44 44 PRO HA H 44 4.506 4.158 0.348 17414 7440 1 16 . 1 1 44 44 PRO CA C 44 61.661 61.893 -0.232 17414 7441 1 16 . 1 1 44 44 PRO CB C 44 32.437 31.984 0.453 17414 7442 1 16 . 1 1 45 45 VAL N N 45 119.113 121.151 -2.038 17414 7443 1 16 . 1 1 45 45 VAL HA H 45 4.195 3.736 0.459 17414 7444 1 16 . 1 1 45 45 VAL CA C 45 61.770 61.753 0.017 17414 7445 1 16 . 1 1 45 45 VAL CB C 45 32.099 30.864 1.235 17414 7446 1 16 . 1 1 46 46 VAL N N 46 114.811 128.350 -13.539 17414 7447 1 16 . 1 1 46 46 VAL HA H 46 4.117 4.041 0.076 17414 7448 1 16 . 1 1 46 46 VAL CA C 46 59.689 62.854 -3.165 17414 7449 1 16 . 1 1 46 46 VAL CB C 46 33.207 32.692 0.515 17414 7450 1 16 . 1 1 47 47 SER N N 47 113.271 113.383 -0.112 17414 7451 1 16 . 1 1 47 47 SER HA H 47 3.992 4.848 -0.856 17414 7452 1 16 . 1 1 47 47 SER CA C 47 56.916 56.715 0.201 17414 7453 1 16 . 1 1 47 47 SER CB C 47 65.285 65.057 0.228 17414 7454 1 16 . 1 1 48 48 TRP N N 48 120.998 127.750 -6.752 17414 7455 1 16 . 1 1 48 48 TRP HA H 48 4.518 5.525 -1.007 17414 7456 1 16 . 1 1 48 48 TRP CA C 48 58.275 56.005 2.270 17414 7457 1 16 . 1 1 48 48 TRP CB C 48 32.474 29.758 2.716 17414 7458 1 16 . 1 1 49 49 PHE N N 49 120.098 124.514 -4.416 17414 7459 1 16 . 1 1 49 49 PHE HA H 49 5.159 4.939 0.220 17414 7460 1 16 . 1 1 49 49 PHE CA C 49 55.741 57.133 -1.392 17414 7461 1 16 . 1 1 49 49 PHE CB C 49 40.992 40.374 0.618 17414 7462 1 16 . 1 1 50 50 ASP N N 50 127.259 124.560 2.699 17414 7463 1 16 . 1 1 50 50 ASP HA H 50 4.829 5.428 -0.599 17414 7464 1 16 . 1 1 50 50 ASP CA C 50 53.464 52.765 0.699 17414 7465 1 16 . 1 1 50 50 ASP CB C 50 40.713 44.765 -4.052 17414 7466 1 16 . 1 1 51 51 GLN N N 51 123.758 123.007 0.751 17414 7467 1 16 . 1 1 51 51 GLN HA H 51 4.902 4.365 0.537 17414 7468 1 16 . 1 1 51 51 GLN CA C 51 55.613 56.449 -0.836 17414 7469 1 16 . 1 1 52 52 GLY N N 52 108.682 104.928 3.754 17414 7470 1 16 . 1 1 52 52 GLY CA C 52 44.063 44.533 -0.470 17414 7471 1 16 . 1 1 53 53 THR N N 53 118.925 113.744 5.181 17414 7472 1 16 . 1 1 53 53 THR HA H 53 4.734 4.050 0.684 17414 7473 1 16 . 1 1 53 53 THR CA C 53 62.734 62.439 0.295 17414 7474 1 16 . 1 1 53 53 THR CB C 53 67.881 67.593 0.288 17414 7475 1 16 . 1 1 54 54 ARG N N 54 125.981 124.505 1.476 17414 7476 1 16 . 1 1 54 54 ARG HA H 54 4.677 4.768 -0.091 17414 7477 1 16 . 1 1 54 54 ARG CA C 54 53.580 54.640 -1.060 17414 7478 1 16 . 1 1 54 54 ARG CB C 54 35.619 34.313 1.306 17414 7479 1 16 . 1 1 55 55 ASP N N 55 119.621 121.893 -2.272 17414 7480 1 16 . 1 1 55 55 ASP HA H 55 4.973 5.339 -0.366 17414 7481 1 16 . 1 1 55 55 ASP CA C 55 54.236 54.319 -0.083 17414 7482 1 16 . 1 1 55 55 ASP CB C 55 40.704 41.602 -0.898 17414 7483 1 16 . 1 1 56 56 VAL N N 56 114.565 119.286 -4.721 17414 7484 1 16 . 1 1 56 56 VAL HA H 56 4.804 4.994 -0.190 17414 7485 1 16 . 1 1 56 56 VAL CA C 56 58.672 59.341 -0.669 17414 7486 1 16 . 1 1 56 56 VAL CB C 56 34.813 35.897 -1.084 17414 7487 1 16 . 1 1 57 57 ILE N N 57 114.855 120.565 -5.710 17414 7488 1 16 . 1 1 57 57 ILE HA H 57 4.740 5.115 -0.375 17414 7489 1 16 . 1 1 57 57 ILE CA C 57 58.799 59.465 -0.666 17414 7490 1 16 . 1 1 57 57 ILE CB C 57 41.197 40.075 1.122 17414 7491 1 16 . 1 1 58 58 GLY N N 58 107.378 109.525 -2.147 17414 7492 1 16 . 1 1 58 58 GLY CA C 58 43.036 43.674 -0.638 17414 7493 1 16 . 1 1 59 59 LEU N N 59 124.061 125.884 -1.823 17414 7494 1 16 . 1 1 59 59 LEU HA H 59 4.677 4.778 -0.101 17414 7495 1 16 . 1 1 59 59 LEU CA C 59 52.282 53.715 -1.433 17414 7496 1 16 . 1 1 59 59 LEU CB C 59 42.668 42.838 -0.170 17414 7497 1 16 . 1 1 60 60 ARG N N 60 124.178 125.226 -1.048 17414 7498 1 16 . 1 1 60 60 ARG HA H 60 4.799 4.572 0.227 17414 7499 1 16 . 1 1 61 61 ILE N N 61 128.222 127.745 0.477 17414 7500 1 16 . 1 1 61 61 ILE HA H 61 4.492 4.219 0.273 17414 7501 1 16 . 1 1 61 61 ILE CA C 61 58.741 60.786 -2.045 17414 7502 1 16 . 1 1 61 61 ILE CB C 61 37.622 38.148 -0.526 17414 7503 1 16 . 1 1 62 62 ALA N N 62 128.005 131.785 -3.780 17414 7504 1 16 . 1 1 62 62 ALA HA H 62 4.108 3.953 0.155 17414 7505 1 16 . 1 1 62 62 ALA CA C 62 54.129 53.318 0.811 17414 7506 1 16 . 1 1 62 62 ALA CB C 62 18.002 18.024 -0.022 17414 7507 1 16 . 1 1 63 63 GLY CA C 63 44.912 45.603 -0.691 17414 7508 1 16 . 1 1 64 64 GLY N N 64 107.906 108.590 -0.684 17414 7509 1 16 . 1 1 64 64 GLY CA C 64 44.751 45.996 -1.245 17414 7510 1 16 . 1 1 65 65 ALA N N 65 125.759 124.097 1.662 17414 7511 1 16 . 1 1 65 65 ALA HA H 65 4.394 4.547 -0.153 17414 7512 1 16 . 1 1 65 65 ALA CA C 65 51.764 51.513 0.251 17414 7513 1 16 . 1 1 65 65 ALA CB C 65 19.458 20.434 -0.976 17414 7514 1 16 . 1 1 66 66 ILE N N 66 118.136 120.364 -2.228 17414 7515 1 16 . 1 1 66 66 ILE HA H 66 4.705 5.019 -0.314 17414 7516 1 16 . 1 1 66 66 ILE CA C 66 59.670 59.184 0.486 17414 7517 1 16 . 1 1 66 66 ILE CB C 66 40.415 40.735 -0.320 17414 7518 1 16 . 1 1 67 67 LEU N N 67 127.715 129.808 -2.093 17414 7519 1 16 . 1 1 67 67 LEU HA H 67 4.728 5.430 -0.702 17414 7520 1 16 . 1 1 67 67 LEU CA C 67 53.331 53.025 0.306 17414 7521 1 16 . 1 1 67 67 LEU CB C 67 44.102 44.709 -0.607 17414 7522 1 16 . 1 1 68 68 TRP N N 68 129.332 128.823 0.509 17414 7523 1 16 . 1 1 68 68 TRP HA H 68 5.672 5.284 0.388 17414 7524 1 16 . 1 1 68 68 TRP CA C 68 54.812 56.130 -1.318 17414 7525 1 16 . 1 1 68 68 TRP CB C 68 29.742 31.152 -1.410 17414 7526 1 16 . 1 1 69 69 ALA N N 69 124.233 124.022 0.211 17414 7527 1 16 . 1 1 69 69 ALA HA H 69 5.243 4.994 0.249 17414 7528 1 16 . 1 1 69 69 ALA CA C 69 49.203 51.314 -2.111 17414 7529 1 16 . 1 1 69 69 ALA CB C 69 22.138 23.264 -1.126 17414 7530 1 16 . 1 1 70 70 THR N N 70 111.459 110.744 0.715 17414 7531 1 16 . 1 1 70 70 THR HA H 70 5.152 4.932 0.220 17414 7532 1 16 . 1 1 70 70 THR CA C 70 60.495 60.240 0.255 17414 7533 1 16 . 1 1 70 70 THR CB C 70 67.570 69.033 -1.463 17414 7534 1 16 . 1 1 71 71 PRO HA H 71 4.165 4.561 -0.396 17414 7535 1 16 . 1 1 71 71 PRO CA C 71 64.390 64.850 -0.460 17414 7536 1 16 . 1 1 72 72 ASP N N 72 112.234 116.199 -3.965 17414 7537 1 16 . 1 1 72 72 ASP HA H 72 4.505 4.661 -0.156 17414 7538 1 16 . 1 1 72 72 ASP CA C 72 52.827 54.089 -1.262 17414 7539 1 16 . 1 1 73 73 HIS N N 73 125.389 121.342 4.047 17414 7540 1 16 . 1 1 73 73 HIS HA H 73 3.796 4.670 -0.874 17414 7541 1 16 . 1 1 73 73 HIS CA C 73 58.310 57.130 1.180 17414 7542 1 16 . 1 1 73 73 HIS CB C 73 32.385 30.891 1.494 17414 7543 1 16 . 1 1 74 74 LYS N N 74 127.412 124.329 3.083 17414 7544 1 16 . 1 1 74 74 LYS HA H 74 4.661 4.646 0.015 17414 7545 1 16 . 1 1 74 74 LYS CA C 74 56.845 56.245 0.600 17414 7546 1 16 . 1 1 75 75 VAL N N 75 125.726 125.582 0.144 17414 7547 1 16 . 1 1 75 75 VAL HA H 75 4.754 4.596 0.158 17414 7548 1 16 . 1 1 75 75 VAL CA C 75 60.739 61.920 -1.181 17414 7549 1 16 . 1 1 75 75 VAL CB C 75 35.276 31.391 3.885 17414 7550 1 16 . 1 1 76 76 LEU N N 76 129.759 130.794 -1.035 17414 7551 1 16 . 1 1 76 76 LEU HA H 76 3.514 3.952 -0.438 17414 7552 1 16 . 1 1 76 76 LEU CA C 76 55.222 56.122 -0.900 17414 7553 1 16 . 1 1 76 76 LEU CB C 76 39.052 42.122 -3.070 17414 7554 1 16 . 1 1 77 77 THR N N 77 116.138 121.759 -5.621 17414 7555 1 16 . 1 1 77 77 THR HA H 77 5.295 4.802 0.493 17414 7556 1 16 . 1 1 77 77 THR CA C 77 59.543 61.244 -1.701 17414 7557 1 16 . 1 1 78 78 GLU N N 78 119.986 122.830 -2.844 17414 7558 1 16 . 1 1 78 78 GLU HA H 78 3.558 3.975 -0.417 17414 7559 1 16 . 1 1 78 78 GLU CA C 78 57.551 58.734 -1.183 17414 7560 1 16 . 1 1 78 78 GLU CB C 78 28.385 28.965 -0.580 17414 7561 1 16 . 1 1 79 79 TYR N N 79 117.251 120.521 -3.270 17414 7562 1 16 . 1 1 79 79 TYR HA H 79 4.749 4.637 0.112 17414 7563 1 16 . 1 1 79 79 TYR CA C 79 55.553 57.770 -2.217 17414 7564 1 16 . 1 1 79 79 TYR CB C 79 37.935 38.732 -0.797 17414 7565 1 16 . 1 1 80 80 GLY N N 80 106.884 107.661 -0.777 17414 7566 1 16 . 1 1 80 80 GLY CA C 80 42.757 44.079 -1.322 17414 7567 1 16 . 1 1 81 81 TRP N N 81 125.593 122.660 2.933 17414 7568 1 16 . 1 1 81 81 TRP HA H 81 4.884 4.781 0.103 17414 7569 1 16 . 1 1 81 81 TRP CA C 81 57.790 58.580 -0.790 17414 7570 1 16 . 1 1 81 81 TRP CB C 81 29.255 29.714 -0.459 17414 7571 1 16 . 1 1 82 82 ARG N N 82 124.625 124.745 -0.120 17414 7572 1 16 . 1 1 82 82 ARG HA H 82 4.773 5.082 -0.309 17414 7573 1 16 . 1 1 82 82 ARG CA C 82 53.895 54.460 -0.565 17414 7574 1 16 . 1 1 83 83 ALA N N 83 125.891 128.629 -2.738 17414 7575 1 16 . 1 1 83 83 ALA HA H 83 4.293 4.546 -0.253 17414 7576 1 16 . 1 1 83 83 ALA CA C 83 51.686 52.644 -0.958 17414 7577 1 16 . 1 1 84 84 ALA N N 84 125.790 126.242 -0.452 17414 7578 1 16 . 1 1 84 84 ALA HA H 84 3.930 4.017 -0.087 17414 7579 1 16 . 1 1 84 84 ALA CB C 84 17.269 18.534 -1.265 17414 7580 1 16 . 1 1 85 85 GLY N N 85 102.306 105.254 -2.948 17414 7581 1 16 . 1 1 86 86 GLU N N 86 117.564 118.153 -0.589 17414 7582 1 16 . 1 1 86 86 GLU HA H 86 4.414 4.414 0.000 17414 7583 1 16 . 1 1 86 86 GLU CA C 86 55.233 56.586 -1.353 17414 7584 1 16 . 1 1 86 86 GLU CB C 86 30.231 30.172 0.059 17414 7585 1 16 . 1 1 87 87 LEU N N 87 119.746 121.684 -1.938 17414 7586 1 16 . 1 1 87 87 LEU HA H 87 4.417 4.477 -0.060 17414 7587 1 16 . 1 1 87 87 LEU CA C 87 54.274 54.516 -0.242 17414 7588 1 16 . 1 1 87 87 LEU CB C 87 41.471 42.812 -1.341 17414 7589 1 16 . 1 1 88 88 ARG N N 88 120.899 121.136 -0.237 17414 7590 1 16 . 1 1 88 88 ARG HA H 88 4.627 4.873 -0.246 17414 7591 1 16 . 1 1 88 88 ARG CA C 88 52.594 53.652 -1.058 17414 7592 1 16 . 1 1 89 89 LYS N N 89 119.795 122.508 -2.713 17414 7593 1 16 . 1 1 89 89 LYS HA H 89 3.669 4.208 -0.539 17414 7594 1 16 . 1 1 89 89 LYS CA C 89 57.770 56.212 1.558 17414 7595 1 16 . 1 1 90 90 GLY N N 90 115.070 109.613 5.457 17414 7596 1 16 . 1 1 90 90 GLY CA C 90 44.499 45.502 -1.003 17414 7597 1 16 . 1 1 91 91 ASP N N 91 121.652 121.100 0.552 17414 7598 1 16 . 1 1 91 91 ASP HA H 91 4.716 4.765 -0.049 17414 7599 1 16 . 1 1 91 91 ASP CA C 91 55.866 53.891 1.975 17414 7600 1 16 . 1 1 92 92 ARG N N 92 117.826 122.454 -4.628 17414 7601 1 16 . 1 1 92 92 ARG HA H 92 5.241 5.068 0.173 17414 7602 1 16 . 1 1 92 92 ARG CA C 92 54.976 55.459 -0.483 17414 7603 1 16 . 1 1 92 92 ARG CB C 92 31.655 32.140 -0.485 17414 7604 1 16 . 1 1 93 93 VAL N N 93 115.034 118.348 -3.314 17414 7605 1 16 . 1 1 93 93 VAL HA H 93 4.839 4.900 -0.061 17414 7606 1 16 . 1 1 93 93 VAL CA C 93 58.222 59.000 -0.778 17414 7607 1 16 . 1 1 94 94 ALA N N 94 126.192 124.647 1.545 17414 7608 1 16 . 1 1 94 94 ALA HA H 94 4.271 3.741 0.530 17414 7609 1 16 . 1 1 94 94 ALA CA C 94 50.975 51.467 -0.492 17414 7610 1 16 . 1 1 94 94 ALA CB C 94 18.748 18.533 0.215 17414 7611 1 16 . 1 1 95 95 VAL N N 95 115.179 116.452 -1.273 17414 7612 1 16 . 1 1 95 95 VAL HA H 95 5.317 4.823 0.494 17414 7613 1 16 . 1 1 95 95 VAL CA C 95 57.154 58.554 -1.400 17414 7614 1 16 . 1 1 95 95 VAL CB C 95 35.186 35.578 -0.392 17414 7615 1 16 . 1 1 96 96 ARG N N 96 119.288 123.448 -4.160 17414 7616 1 16 . 1 1 96 96 ARG HA H 96 4.230 4.557 -0.327 17414 7617 1 16 . 1 1 96 96 ARG CA C 96 53.613 55.294 -1.681 17414 7618 1 16 . 1 1 96 96 ARG CB C 96 31.697 31.273 0.424 17414 7619 1 16 . 1 1 97 97 ASP N N 97 131.180 125.797 5.383 17414 7620 1 16 . 1 1 97 97 ASP HA H 97 4.415 4.786 -0.371 17414 7621 1 16 . 1 1 97 97 ASP CA C 97 53.887 52.990 0.897 17414 7622 1 16 . 1 1 97 97 ASP CB C 97 42.723 42.074 0.649 17414 7623 1 16 . 1 1 98 98 VAL N N 98 126.152 126.708 -0.556 17414 7624 1 16 . 1 1 98 98 VAL HA H 98 3.489 3.904 -0.415 17414 7625 1 16 . 1 1 98 98 VAL CA C 98 64.431 64.463 -0.032 17414 7626 1 16 . 1 1 98 98 VAL CB C 98 31.047 31.778 -0.731 17414 7627 1 16 . 1 1 99 99 GLU N N 99 118.883 121.621 -2.738 17414 7628 1 16 . 1 1 99 99 GLU HA H 99 4.127 4.068 0.059 17414 7629 1 16 . 1 1 99 99 GLU CA C 99 58.178 59.267 -1.089 17414 7630 1 16 . 1 1 99 99 GLU CB C 99 29.591 29.675 -0.084 17414 7631 1 16 . 1 1 100 100 THR N N 100 106.301 109.156 -2.855 17414 7632 1 16 . 1 1 100 100 THR HA H 100 4.316 4.423 -0.107 17414 7633 1 16 . 1 1 100 100 THR CA C 100 61.407 61.960 -0.553 17414 7634 1 16 . 1 1 100 100 THR CB C 100 70.856 70.259 0.597 17414 7635 1 16 . 1 1 101 101 GLY N N 101 111.204 112.020 -0.816 17414 7636 1 16 . 1 1 101 101 GLY CA C 101 45.284 45.569 -0.285 17414 7637 1 16 . 1 1 102 102 GLU N N 102 118.458 120.238 -1.780 17414 7638 1 16 . 1 1 102 102 GLU HA H 102 4.301 4.505 -0.204 17414 7639 1 16 . 1 1 102 102 GLU CA C 102 55.160 55.721 -0.561 17414 7640 1 16 . 1 1 102 102 GLU CB C 102 31.769 31.011 0.758 17414 7641 1 16 . 1 1 103 103 LEU N N 103 121.701 120.531 1.170 17414 7642 1 16 . 1 1 103 103 LEU HA H 103 4.716 4.690 0.026 17414 7643 1 16 . 1 1 103 103 LEU CA C 103 54.930 53.994 0.936 17414 7644 1 16 . 1 1 103 103 LEU CB C 103 42.346 42.963 -0.617 17414 7645 1 16 . 1 1 104 104 ARG N N 104 127.157 120.366 6.791 17414 7646 1 16 . 1 1 104 104 ARG HA H 104 4.403 4.920 -0.517 17414 7647 1 16 . 1 1 104 104 ARG CA C 104 53.201 53.535 -0.334 17414 7648 1 16 . 1 1 104 104 ARG CB C 104 32.989 34.538 -1.549 17414 7649 1 16 . 1 1 105 105 TYR N N 105 116.202 119.174 -2.972 17414 7650 1 16 . 1 1 105 105 TYR HA H 105 5.490 5.403 0.087 17414 7651 1 16 . 1 1 105 105 TYR CA C 105 56.831 56.796 0.035 17414 7652 1 16 . 1 1 105 105 TYR CB C 105 40.116 41.308 -1.192 17414 7653 1 16 . 1 1 106 106 SER N N 106 118.250 115.304 2.946 17414 7654 1 16 . 1 1 106 106 SER HA H 106 4.807 5.108 -0.301 17414 7655 1 16 . 1 1 106 106 SER CA C 106 55.888 57.623 -1.735 17414 7656 1 16 . 1 1 106 106 SER CB C 106 66.301 66.873 -0.572 17414 7657 1 16 . 1 1 107 107 VAL N N 107 122.160 118.045 4.115 17414 7658 1 16 . 1 1 107 107 VAL HA H 107 4.423 4.682 -0.259 17414 7659 1 16 . 1 1 107 107 VAL CA C 107 61.369 60.542 0.827 17414 7660 1 16 . 1 1 107 107 VAL CB C 107 33.633 33.374 0.259 17414 7661 1 16 . 1 1 108 108 ILE N N 108 123.427 124.778 -1.351 17414 7662 1 16 . 1 1 108 108 ILE HA H 108 4.100 4.166 -0.066 17414 7663 1 16 . 1 1 108 108 ILE CA C 108 61.321 61.516 -0.195 17414 7664 1 16 . 1 1 108 108 ILE CB C 108 37.408 38.136 -0.728 17414 7665 1 16 . 1 1 109 109 ARG N N 109 130.207 126.382 3.825 17414 7666 1 16 . 1 1 109 109 ARG HA H 109 4.254 4.429 -0.175 17414 7667 1 16 . 1 1 109 109 ARG CA C 109 55.904 57.107 -1.203 17414 7668 1 16 . 1 1 110 110 GLU N N 110 116.804 117.689 -0.885 17414 7669 1 16 . 1 1 110 110 GLU HA H 110 4.274 4.642 -0.368 17414 7670 1 16 . 1 1 110 110 GLU CA C 110 55.889 56.137 -0.248 17414 7671 1 16 . 1 1 110 110 GLU CB C 110 33.186 33.594 -0.408 17414 7672 1 16 . 1 1 111 111 VAL N N 111 125.709 127.221 -1.512 17414 7673 1 16 . 1 1 111 111 VAL HA H 111 4.709 4.478 0.231 17414 7674 1 16 . 1 1 111 111 VAL CA C 111 60.903 61.881 -0.978 17414 7675 1 16 . 1 1 111 111 VAL CB C 111 31.927 32.569 -0.642 17414 7676 1 16 . 1 1 112 112 LEU N N 112 132.638 128.272 4.366 17414 7677 1 16 . 1 1 112 112 LEU HA H 112 4.741 4.828 -0.087 17414 7678 1 16 . 1 1 112 112 LEU CA C 112 52.655 52.009 0.646 17414 7679 1 16 . 1 1 112 112 LEU CB C 112 40.998 42.769 -1.771 17414 7680 1 16 . 1 1 113 113 PRO HA H 113 4.532 4.636 -0.104 17414 7681 1 16 . 1 1 113 113 PRO CA C 113 61.916 62.331 -0.415 17414 7682 1 16 . 1 1 113 113 PRO CB C 113 32.608 32.517 0.091 17414 7683 1 16 . 1 1 114 114 THR N N 114 112.542 112.335 0.207 17414 7684 1 16 . 1 1 114 114 THR HA H 114 4.973 4.839 0.134 17414 7685 1 16 . 1 1 114 114 THR CA C 114 61.865 61.208 0.657 17414 7686 1 16 . 1 1 114 114 THR CB C 114 69.345 70.515 -1.170 17414 7687 1 16 . 1 1 115 115 ARG N N 115 123.213 120.168 3.045 17414 7688 1 16 . 1 1 115 115 ARG HA H 115 4.694 4.970 -0.276 17414 7689 1 16 . 1 1 115 115 ARG CA C 115 54.302 54.437 -0.135 17414 7690 1 16 . 1 1 115 115 ARG CB C 115 32.684 33.858 -1.174 17414 7691 1 16 . 1 1 116 116 ARG N N 116 119.004 122.550 -3.546 17414 7692 1 16 . 1 1 116 116 ARG HA H 116 4.879 4.634 0.245 17414 7693 1 16 . 1 1 116 116 ARG CA C 116 54.554 56.564 -2.010 17414 7694 1 16 . 1 1 116 116 ARG CB C 116 30.285 30.718 -0.433 17414 7695 1 16 . 1 1 117 117 ALA N N 117 124.834 124.024 0.810 17414 7696 1 16 . 1 1 117 117 ALA HA H 117 4.599 4.751 -0.152 17414 7697 1 16 . 1 1 117 117 ALA CA C 117 50.434 50.996 -0.562 17414 7698 1 16 . 1 1 117 117 ALA CB C 117 23.139 22.832 0.307 17414 7699 1 16 . 1 1 118 118 ARG N N 118 120.885 119.985 0.900 17414 7700 1 16 . 1 1 118 118 ARG HA H 118 3.925 4.578 -0.653 17414 7701 1 16 . 1 1 118 118 ARG CA C 118 57.559 55.808 1.751 17414 7702 1 16 . 1 1 118 118 ARG CB C 118 30.409 31.362 -0.953 17414 7703 1 16 . 1 1 119 119 THR N N 119 111.492 115.213 -3.721 17414 7704 1 16 . 1 1 119 119 THR HA H 119 5.309 5.502 -0.193 17414 7705 1 16 . 1 1 119 119 THR CA C 119 60.071 59.566 0.505 17414 7706 1 16 . 1 1 119 119 THR CB C 119 72.737 71.913 0.824 17414 7707 1 16 . 1 1 120 120 PHE N N 120 113.949 124.998 -11.049 17414 7708 1 16 . 1 1 120 120 PHE HA H 120 5.311 5.273 0.038 17414 7709 1 16 . 1 1 120 120 PHE CA C 120 57.898 56.421 1.477 17414 7710 1 16 . 1 1 120 120 PHE CB C 120 46.203 42.280 3.923 17414 7711 1 16 . 1 1 121 121 ASP N N 121 118.841 120.105 -1.264 17414 7712 1 16 . 1 1 121 121 ASP HA H 121 5.352 5.160 0.192 17414 7713 1 16 . 1 1 121 121 ASP CA C 121 55.227 53.263 1.964 17414 7714 1 16 . 1 1 121 121 ASP CB C 121 47.673 44.829 2.844 17414 7715 1 16 . 1 1 122 122 LEU N N 122 118.637 122.978 -4.341 17414 7716 1 16 . 1 1 122 122 LEU HA H 122 4.809 5.047 -0.238 17414 7717 1 16 . 1 1 122 122 LEU CB C 122 45.915 45.679 0.236 17414 7718 1 16 . 1 1 123 123 GLU N N 123 118.694 120.248 -1.554 17414 7719 1 16 . 1 1 123 123 GLU HA H 123 4.515 4.566 -0.051 17414 7720 1 16 . 1 1 123 123 GLU CA C 123 54.697 55.911 -1.214 17414 7721 1 16 . 1 1 124 124 VAL N N 124 129.259 126.904 2.355 17414 7722 1 16 . 1 1 124 124 VAL HA H 124 4.065 4.016 0.049 17414 7723 1 16 . 1 1 124 124 VAL CA C 124 61.193 62.330 -1.137 17414 7724 1 16 . 1 1 124 124 VAL CB C 124 33.607 32.201 1.406 17414 7725 1 16 . 1 1 125 125 GLU N N 125 128.432 127.276 1.156 17414 7726 1 16 . 1 1 125 125 GLU HA H 125 3.672 3.870 -0.198 17414 7727 1 16 . 1 1 125 125 GLU CA C 125 58.494 58.033 0.461 17414 7728 1 16 . 1 1 125 125 GLU CB C 125 30.552 29.364 1.188 17414 7729 1 16 . 1 1 126 126 GLU N N 126 120.993 126.210 -5.217 17414 7730 1 16 . 1 1 126 126 GLU HA H 126 3.570 4.007 -0.437 17414 7731 1 16 . 1 1 126 126 GLU CA C 126 61.229 58.838 2.391 17414 7732 1 16 . 1 1 126 126 GLU CB C 126 29.621 29.262 0.359 17414 7733 1 16 . 1 1 127 127 LEU N N 127 120.945 120.188 0.757 17414 7734 1 16 . 1 1 127 127 LEU HA H 127 4.205 4.226 -0.021 17414 7735 1 16 . 1 1 127 127 LEU CA C 127 55.681 54.023 1.658 17414 7736 1 16 . 1 1 128 128 HIS HA H 128 4.584 4.708 -0.124 17414 7737 1 16 . 1 1 128 128 HIS CA C 128 54.566 56.195 -1.629 17414 7738 1 16 . 1 1 128 128 HIS CB C 128 26.062 29.173 -3.111 17414 7739 1 16 . 1 1 129 129 THR N N 129 105.639 114.675 -9.036 17414 7740 1 16 . 1 1 129 129 THR HA H 129 4.899 4.939 -0.040 17414 7741 1 16 . 1 1 129 129 THR CA C 129 58.380 61.204 -2.824 17414 7742 1 16 . 1 1 129 129 THR CB C 129 72.980 71.001 1.979 17414 7743 1 16 . 1 1 130 130 LEU N N 130 111.598 120.221 -8.623 17414 7744 1 16 . 1 1 130 130 LEU HA H 130 5.537 5.249 0.288 17414 7745 1 16 . 1 1 130 130 LEU CA C 130 54.683 53.739 0.944 17414 7746 1 16 . 1 1 130 130 LEU CB C 130 44.277 45.462 -1.185 17414 7747 1 16 . 1 1 131 131 VAL N N 131 119.670 121.718 -2.048 17414 7748 1 16 . 1 1 131 131 VAL HA H 131 4.830 4.817 0.013 17414 7749 1 16 . 1 1 131 131 VAL CA C 131 61.285 62.567 -1.282 17414 7750 1 16 . 1 1 131 131 VAL CB C 131 30.272 31.906 -1.634 17414 7751 1 16 . 1 1 132 132 ALA N N 132 134.824 128.701 6.123 17414 7752 1 16 . 1 1 132 132 ALA HA H 132 4.931 4.919 0.012 17414 7753 1 16 . 1 1 132 132 ALA CA C 132 49.999 50.761 -0.762 17414 7754 1 16 . 1 1 132 132 ALA CB C 132 21.422 21.788 -0.366 17414 7755 1 16 . 1 1 133 133 GLU N N 133 118.979 125.139 -6.160 17414 7756 1 16 . 1 1 133 133 GLU HA H 133 3.826 4.060 -0.234 17414 7757 1 16 . 1 1 133 133 GLU CA C 133 57.065 57.756 -0.691 17414 7758 1 16 . 1 1 133 133 GLU CB C 133 26.406 28.329 -1.923 17414 7759 1 16 . 1 1 134 134 GLY N N 134 100.017 104.339 -4.322 17414 7760 1 16 . 1 1 134 134 GLY CA C 134 45.352 46.225 -0.873 17414 7761 1 16 . 1 1 135 135 VAL N N 135 122.381 119.867 2.514 17414 7762 1 16 . 1 1 135 135 VAL HA H 135 4.560 4.711 -0.151 17414 7763 1 16 . 1 1 135 135 VAL CA C 135 60.885 60.354 0.531 17414 7764 1 16 . 1 1 135 135 VAL CB C 135 32.542 35.243 -2.701 17414 7765 1 16 . 1 1 136 136 VAL N N 136 126.302 121.053 5.249 17414 7766 1 16 . 1 1 136 136 VAL HA H 136 4.254 5.046 -0.792 17414 7767 1 16 . 1 1 136 136 VAL CA C 136 63.608 60.716 2.892 17414 7768 1 16 . 1 1 136 136 VAL CB C 136 30.519 33.235 -2.716 17414 7769 1 16 . 1 1 137 137 VAL N N 137 118.757 123.663 -4.906 17414 7770 1 16 . 1 1 137 137 VAL HA H 137 5.743 5.125 0.618 17414 7771 1 16 . 1 1 137 137 VAL CA C 137 58.252 59.683 -1.431 17414 7772 1 16 . 1 1 137 137 VAL CB C 137 36.378 35.805 0.573 17414 7773 1 16 . 1 1 138 138 HIS N N 138 120.902 123.849 -2.947 17414 7774 1 16 . 1 1 138 138 HIS HA H 138 4.434 4.233 0.201 17414 7775 1 16 . 1 1 138 138 HIS CA C 138 56.439 57.432 -0.993 17414 7776 1 16 . 1 1 138 138 HIS CB C 138 30.583 30.116 0.467 17414 7777 1 17 . 1 1 2 2 LEU N N 2 122.945 123.081 -0.136 17414 7778 1 17 . 1 1 2 2 LEU HA H 2 5.005 4.914 0.091 17414 7779 1 17 . 1 1 2 2 LEU CA C 2 53.355 53.560 -0.205 17414 7780 1 17 . 1 1 2 2 LEU CB C 2 43.858 44.233 -0.375 17414 7781 1 17 . 1 1 3 3 ALA N N 3 121.232 126.811 -5.579 17414 7782 1 17 . 1 1 3 3 ALA HA H 3 4.730 4.857 -0.127 17414 7783 1 17 . 1 1 3 3 ALA CA C 3 52.302 51.747 0.555 17414 7784 1 17 . 1 1 3 3 ALA CB C 3 21.769 19.644 2.125 17414 7785 1 17 . 1 1 4 4 GLU N N 4 121.283 121.950 -0.667 17414 7786 1 17 . 1 1 4 4 GLU HA H 4 4.074 3.955 0.119 17414 7787 1 17 . 1 1 4 4 GLU CA C 4 57.136 58.468 -1.332 17414 7788 1 17 . 1 1 4 4 GLU CB C 4 31.847 29.593 2.254 17414 7789 1 17 . 1 1 5 5 GLY N N 5 119.858 115.034 4.824 17414 7790 1 17 . 1 1 5 5 GLY CA C 5 44.157 45.105 -0.948 17414 7791 1 17 . 1 1 6 6 THR N N 6 117.099 116.783 0.316 17414 7792 1 17 . 1 1 6 6 THR HA H 6 4.301 4.179 0.122 17414 7793 1 17 . 1 1 6 6 THR CA C 6 65.228 63.856 1.372 17414 7794 1 17 . 1 1 6 6 THR CB C 6 68.654 69.203 -0.549 17414 7795 1 17 . 1 1 7 7 ARG N N 7 130.107 127.379 2.728 17414 7796 1 17 . 1 1 7 7 ARG HA H 7 4.878 4.665 0.213 17414 7797 1 17 . 1 1 7 7 ARG CA C 7 55.868 56.151 -0.283 17414 7798 1 17 . 1 1 8 8 ILE N N 8 123.872 125.955 -2.083 17414 7799 1 17 . 1 1 8 8 ILE HA H 8 4.531 4.667 -0.136 17414 7800 1 17 . 1 1 8 8 ILE CA C 8 59.240 60.465 -1.225 17414 7801 1 17 . 1 1 8 8 ILE CB C 8 40.450 40.845 -0.395 17414 7802 1 17 . 1 1 9 9 PHE N N 9 129.317 129.586 -0.269 17414 7803 1 17 . 1 1 9 9 PHE HA H 9 4.832 4.872 -0.040 17414 7804 1 17 . 1 1 9 9 PHE CA C 9 56.960 58.255 -1.295 17414 7805 1 17 . 1 1 9 9 PHE CB C 9 40.542 40.081 0.461 17414 7806 1 17 . 1 1 10 10 ASP N N 10 128.073 127.573 0.500 17414 7807 1 17 . 1 1 10 10 ASP HA H 10 5.529 4.975 0.554 17414 7808 1 17 . 1 1 10 10 ASP CA C 10 49.160 50.220 -1.060 17414 7809 1 17 . 1 1 10 10 ASP CB C 10 43.037 42.318 0.719 17414 7810 1 17 . 1 1 11 11 PRO HA H 11 3.974 4.513 -0.539 17414 7811 1 17 . 1 1 11 11 PRO CA C 11 62.348 64.816 -2.468 17414 7812 1 17 . 1 1 11 11 PRO CB C 11 30.977 32.191 -1.214 17414 7813 1 17 . 1 1 12 12 VAL N N 12 124.105 116.291 7.814 17414 7814 1 17 . 1 1 12 12 VAL HA H 12 3.591 3.657 -0.066 17414 7815 1 17 . 1 1 12 12 VAL CA C 12 64.849 65.521 -0.672 17414 7816 1 17 . 1 1 13 13 THR N N 13 107.133 109.438 -2.305 17414 7817 1 17 . 1 1 13 13 THR HA H 13 4.228 4.207 0.021 17414 7818 1 17 . 1 1 13 13 THR CA C 13 60.944 62.942 -1.998 17414 7819 1 17 . 1 1 13 13 THR CB C 13 69.447 70.313 -0.866 17414 7820 1 17 . 1 1 14 14 GLY N N 14 112.897 111.979 0.918 17414 7821 1 17 . 1 1 14 14 GLY CA C 14 45.650 45.654 -0.004 17414 7822 1 17 . 1 1 15 15 THR N N 15 117.286 115.993 1.293 17414 7823 1 17 . 1 1 15 15 THR HA H 15 4.276 4.820 -0.544 17414 7824 1 17 . 1 1 15 15 THR CA C 15 61.382 60.864 0.518 17414 7825 1 17 . 1 1 15 15 THR CB C 15 70.037 71.290 -1.253 17414 7826 1 17 . 1 1 16 16 THR N N 16 120.518 117.428 3.090 17414 7827 1 17 . 1 1 16 16 THR HA H 16 4.911 4.829 0.082 17414 7828 1 17 . 1 1 16 16 THR CA C 16 62.321 61.936 0.385 17414 7829 1 17 . 1 1 16 16 THR CB C 16 69.184 69.308 -0.124 17414 7830 1 17 . 1 1 17 17 HIS N N 17 127.011 126.051 0.960 17414 7831 1 17 . 1 1 17 17 HIS HA H 17 4.586 5.102 -0.516 17414 7832 1 17 . 1 1 17 17 HIS CA C 17 54.406 54.554 -0.148 17414 7833 1 17 . 1 1 17 17 HIS CB C 17 35.299 32.376 2.923 17414 7834 1 17 . 1 1 18 18 ARG N N 18 120.890 121.544 -0.654 17414 7835 1 17 . 1 1 18 18 ARG HA H 18 4.679 4.453 0.226 17414 7836 1 17 . 1 1 18 18 ARG CA C 18 54.802 54.908 -0.106 17414 7837 1 17 . 1 1 18 18 ARG CB C 18 29.657 31.716 -2.059 17414 7838 1 17 . 1 1 19 19 ILE N N 19 125.005 126.253 -1.248 17414 7839 1 17 . 1 1 19 19 ILE HA H 19 3.696 3.861 -0.165 17414 7840 1 17 . 1 1 19 19 ILE CA C 19 66.021 64.072 1.949 17414 7841 1 17 . 1 1 19 19 ILE CB C 19 37.936 37.738 0.198 17414 7842 1 17 . 1 1 20 20 GLU N N 20 123.813 121.331 2.482 17414 7843 1 17 . 1 1 20 20 GLU HA H 20 2.787 3.579 -0.792 17414 7844 1 17 . 1 1 20 20 GLU CA C 20 57.675 59.599 -1.924 17414 7845 1 17 . 1 1 20 20 GLU CB C 20 28.945 28.968 -0.023 17414 7846 1 17 . 1 1 21 21 ASP N N 21 123.330 120.856 2.474 17414 7847 1 17 . 1 1 21 21 ASP HA H 21 4.489 4.375 0.114 17414 7848 1 17 . 1 1 21 21 ASP CA C 21 55.734 56.736 -1.002 17414 7849 1 17 . 1 1 21 21 ASP CB C 21 40.038 40.811 -0.773 17414 7850 1 17 . 1 1 22 22 VAL N N 22 121.407 119.725 1.682 17414 7851 1 17 . 1 1 22 22 VAL HA H 22 3.303 3.606 -0.303 17414 7852 1 17 . 1 1 22 22 VAL CA C 22 65.768 66.576 -0.808 17414 7853 1 17 . 1 1 22 22 VAL CB C 22 31.327 31.557 -0.230 17414 7854 1 17 . 1 1 23 23 VAL N N 23 116.800 120.603 -3.803 17414 7855 1 17 . 1 1 23 23 VAL HA H 23 3.928 3.753 0.175 17414 7856 1 17 . 1 1 23 23 VAL CA C 23 66.310 66.393 -0.083 17414 7857 1 17 . 1 1 24 24 GLY N N 24 120.577 108.408 12.169 17414 7858 1 17 . 1 1 25 25 GLY N N 25 103.034 108.237 -5.203 17414 7859 1 17 . 1 1 25 25 GLY CA C 25 43.755 44.803 -1.048 17414 7860 1 17 . 1 1 26 26 ARG N N 26 122.306 114.983 7.323 17414 7861 1 17 . 1 1 26 26 ARG HA H 26 1.544 3.334 -1.790 17414 7862 1 17 . 1 1 26 26 ARG CA C 26 55.119 56.319 -1.200 17414 7863 1 17 . 1 1 26 26 ARG CB C 26 26.620 28.196 -1.576 17414 7864 1 17 . 1 1 27 27 LYS N N 27 115.887 119.229 -3.342 17414 7865 1 17 . 1 1 27 27 LYS HA H 27 4.168 4.576 -0.408 17414 7866 1 17 . 1 1 27 27 LYS CB C 27 33.503 32.995 0.508 17414 7867 1 17 . 1 1 28 28 PRO HA H 28 5.145 4.640 0.505 17414 7868 1 17 . 1 1 28 28 PRO CA C 28 61.507 63.717 -2.210 17414 7869 1 17 . 1 1 28 28 PRO CB C 28 27.787 31.419 -3.632 17414 7870 1 17 . 1 1 29 29 ILE N N 29 116.657 121.952 -5.295 17414 7871 1 17 . 1 1 29 29 ILE HA H 29 4.443 4.153 0.290 17414 7872 1 17 . 1 1 29 29 ILE CA C 29 60.723 61.640 -0.917 17414 7873 1 17 . 1 1 29 29 ILE CB C 29 38.563 38.726 -0.163 17414 7874 1 17 . 1 1 30 30 HIS N N 30 118.274 122.380 -4.106 17414 7875 1 17 . 1 1 30 30 HIS HA H 30 5.152 5.308 -0.156 17414 7876 1 17 . 1 1 30 30 HIS CA C 30 55.902 53.968 1.934 17414 7877 1 17 . 1 1 30 30 HIS CB C 30 30.925 34.415 -3.490 17414 7878 1 17 . 1 1 31 31 VAL N N 31 107.262 115.814 -8.552 17414 7879 1 17 . 1 1 31 31 VAL HA H 31 5.212 4.780 0.432 17414 7880 1 17 . 1 1 31 31 VAL CA C 31 57.692 59.205 -1.513 17414 7881 1 17 . 1 1 31 31 VAL CB C 31 34.153 36.309 -2.156 17414 7882 1 17 . 1 1 32 32 VAL N N 32 119.900 122.414 -2.514 17414 7883 1 17 . 1 1 32 32 VAL HA H 32 4.246 4.475 -0.229 17414 7884 1 17 . 1 1 32 32 VAL CA C 32 62.504 62.387 0.117 17414 7885 1 17 . 1 1 33 33 ALA N N 33 128.967 130.043 -1.076 17414 7886 1 17 . 1 1 33 33 ALA HA H 33 4.522 5.256 -0.734 17414 7887 1 17 . 1 1 33 33 ALA CA C 33 49.594 50.095 -0.501 17414 7888 1 17 . 1 1 33 33 ALA CB C 33 23.635 22.742 0.893 17414 7889 1 17 . 1 1 34 34 ALA N N 34 121.236 120.950 0.286 17414 7890 1 17 . 1 1 34 34 ALA HA H 34 5.207 5.370 -0.163 17414 7891 1 17 . 1 1 34 34 ALA CA C 34 49.704 50.229 -0.525 17414 7892 1 17 . 1 1 35 35 ALA N N 35 125.943 123.170 2.773 17414 7893 1 17 . 1 1 35 35 ALA HA H 35 4.633 4.725 -0.092 17414 7894 1 17 . 1 1 35 35 ALA CA C 35 50.168 49.888 0.280 17414 7895 1 17 . 1 1 35 35 ALA CB C 35 20.121 21.553 -1.432 17414 7896 1 17 . 1 1 36 36 LYS N N 36 121.159 117.659 3.500 17414 7897 1 17 . 1 1 36 36 LYS HA H 36 4.272 4.162 0.110 17414 7898 1 17 . 1 1 36 36 LYS CA C 36 58.723 58.568 0.155 17414 7899 1 17 . 1 1 37 37 ASP N N 37 115.815 117.372 -1.557 17414 7900 1 17 . 1 1 37 37 ASP HA H 37 4.526 4.714 -0.188 17414 7901 1 17 . 1 1 37 37 ASP CA C 37 52.534 54.108 -1.574 17414 7902 1 17 . 1 1 37 37 ASP CB C 37 39.654 41.491 -1.837 17414 7903 1 17 . 1 1 38 38 GLY N N 38 107.649 107.824 -0.175 17414 7904 1 17 . 1 1 38 38 GLY CA C 38 45.025 45.821 -0.796 17414 7905 1 17 . 1 1 39 39 THR N N 39 110.428 113.073 -2.645 17414 7906 1 17 . 1 1 39 39 THR HA H 39 4.265 4.456 -0.191 17414 7907 1 17 . 1 1 39 39 THR CA C 39 60.883 60.856 0.027 17414 7908 1 17 . 1 1 39 39 THR CB C 39 70.144 70.313 -0.169 17414 7909 1 17 . 1 1 40 40 LEU N N 40 120.829 126.135 -5.306 17414 7910 1 17 . 1 1 40 40 LEU HA H 40 5.312 5.276 0.036 17414 7911 1 17 . 1 1 40 40 LEU CA C 40 53.146 54.424 -1.278 17414 7912 1 17 . 1 1 40 40 LEU CB C 40 41.870 43.234 -1.364 17414 7913 1 17 . 1 1 41 41 HIS N N 41 120.175 124.061 -3.886 17414 7914 1 17 . 1 1 41 41 HIS HA H 41 4.622 5.276 -0.654 17414 7915 1 17 . 1 1 41 41 HIS CA C 41 54.675 55.208 -0.533 17414 7916 1 17 . 1 1 41 41 HIS CB C 41 35.374 33.716 1.658 17414 7917 1 17 . 1 1 42 42 ALA N N 42 125.084 127.553 -2.469 17414 7918 1 17 . 1 1 42 42 ALA HA H 42 5.530 4.445 1.085 17414 7919 1 17 . 1 1 42 42 ALA CA C 42 50.934 52.167 -1.233 17414 7920 1 17 . 1 1 42 42 ALA CB C 42 18.920 19.523 -0.603 17414 7921 1 17 . 1 1 43 43 ARG N N 43 124.440 121.343 3.097 17414 7922 1 17 . 1 1 43 43 ARG HA H 43 5.177 4.721 0.456 17414 7923 1 17 . 1 1 43 43 ARG CA C 43 50.736 52.633 -1.897 17414 7924 1 17 . 1 1 43 43 ARG CB C 43 35.105 33.104 2.001 17414 7925 1 17 . 1 1 44 44 PRO HA H 44 4.506 3.948 0.558 17414 7926 1 17 . 1 1 44 44 PRO CA C 44 61.661 61.997 -0.336 17414 7927 1 17 . 1 1 44 44 PRO CB C 44 32.437 31.927 0.510 17414 7928 1 17 . 1 1 45 45 VAL N N 45 119.113 120.535 -1.422 17414 7929 1 17 . 1 1 45 45 VAL HA H 45 4.195 3.979 0.216 17414 7930 1 17 . 1 1 45 45 VAL CA C 45 61.770 61.569 0.201 17414 7931 1 17 . 1 1 45 45 VAL CB C 45 32.099 32.337 -0.238 17414 7932 1 17 . 1 1 46 46 VAL N N 46 114.811 120.080 -5.269 17414 7933 1 17 . 1 1 46 46 VAL HA H 46 4.117 4.234 -0.117 17414 7934 1 17 . 1 1 46 46 VAL CA C 46 59.689 61.033 -1.344 17414 7935 1 17 . 1 1 46 46 VAL CB C 46 33.207 32.940 0.267 17414 7936 1 17 . 1 1 47 47 SER N N 47 113.271 114.412 -1.141 17414 7937 1 17 . 1 1 47 47 SER HA H 47 3.992 4.114 -0.122 17414 7938 1 17 . 1 1 47 47 SER CA C 47 56.916 56.796 0.120 17414 7939 1 17 . 1 1 47 47 SER CB C 47 65.285 66.078 -0.793 17414 7940 1 17 . 1 1 48 48 TRP N N 48 120.998 124.199 -3.201 17414 7941 1 17 . 1 1 48 48 TRP HA H 48 4.518 5.086 -0.568 17414 7942 1 17 . 1 1 48 48 TRP CA C 48 58.275 55.700 2.575 17414 7943 1 17 . 1 1 48 48 TRP CB C 48 32.474 32.321 0.153 17414 7944 1 17 . 1 1 49 49 PHE N N 49 120.098 121.650 -1.552 17414 7945 1 17 . 1 1 49 49 PHE HA H 49 5.159 5.161 -0.002 17414 7946 1 17 . 1 1 49 49 PHE CA C 49 55.741 56.338 -0.597 17414 7947 1 17 . 1 1 49 49 PHE CB C 49 40.992 43.441 -2.449 17414 7948 1 17 . 1 1 50 50 ASP N N 50 127.259 123.513 3.746 17414 7949 1 17 . 1 1 50 50 ASP HA H 50 4.829 5.328 -0.499 17414 7950 1 17 . 1 1 50 50 ASP CA C 50 53.464 52.571 0.893 17414 7951 1 17 . 1 1 50 50 ASP CB C 50 40.713 44.437 -3.724 17414 7952 1 17 . 1 1 51 51 GLN N N 51 123.758 122.408 1.350 17414 7953 1 17 . 1 1 51 51 GLN HA H 51 4.902 4.291 0.611 17414 7954 1 17 . 1 1 51 51 GLN CA C 51 55.613 56.489 -0.876 17414 7955 1 17 . 1 1 52 52 GLY N N 52 108.682 103.939 4.743 17414 7956 1 17 . 1 1 52 52 GLY CA C 52 44.063 46.038 -1.975 17414 7957 1 17 . 1 1 53 53 THR N N 53 118.925 116.643 2.282 17414 7958 1 17 . 1 1 53 53 THR HA H 53 4.734 5.166 -0.432 17414 7959 1 17 . 1 1 53 53 THR CA C 53 62.734 62.166 0.568 17414 7960 1 17 . 1 1 53 53 THR CB C 53 67.881 70.313 -2.432 17414 7961 1 17 . 1 1 54 54 ARG N N 54 125.981 123.241 2.740 17414 7962 1 17 . 1 1 54 54 ARG HA H 54 4.677 4.909 -0.232 17414 7963 1 17 . 1 1 54 54 ARG CA C 54 53.580 54.060 -0.480 17414 7964 1 17 . 1 1 54 54 ARG CB C 54 35.619 34.519 1.100 17414 7965 1 17 . 1 1 55 55 ASP N N 55 119.621 120.846 -1.225 17414 7966 1 17 . 1 1 55 55 ASP HA H 55 4.973 5.353 -0.380 17414 7967 1 17 . 1 1 55 55 ASP CA C 55 54.236 54.543 -0.307 17414 7968 1 17 . 1 1 55 55 ASP CB C 55 40.704 41.100 -0.396 17414 7969 1 17 . 1 1 56 56 VAL N N 56 114.565 117.476 -2.911 17414 7970 1 17 . 1 1 56 56 VAL HA H 56 4.804 4.873 -0.069 17414 7971 1 17 . 1 1 56 56 VAL CA C 56 58.672 59.511 -0.839 17414 7972 1 17 . 1 1 56 56 VAL CB C 56 34.813 35.801 -0.988 17414 7973 1 17 . 1 1 57 57 ILE N N 57 114.855 123.069 -8.214 17414 7974 1 17 . 1 1 57 57 ILE HA H 57 4.740 4.731 0.009 17414 7975 1 17 . 1 1 57 57 ILE CA C 57 58.799 59.503 -0.704 17414 7976 1 17 . 1 1 57 57 ILE CB C 57 41.197 39.185 2.012 17414 7977 1 17 . 1 1 58 58 GLY N N 58 107.378 109.226 -1.848 17414 7978 1 17 . 1 1 58 58 GLY CA C 58 43.036 43.140 -0.104 17414 7979 1 17 . 1 1 59 59 LEU N N 59 124.061 123.229 0.832 17414 7980 1 17 . 1 1 59 59 LEU HA H 59 4.677 4.748 -0.071 17414 7981 1 17 . 1 1 59 59 LEU CA C 59 52.282 53.936 -1.654 17414 7982 1 17 . 1 1 59 59 LEU CB C 59 42.668 43.961 -1.293 17414 7983 1 17 . 1 1 60 60 ARG N N 60 124.178 125.340 -1.162 17414 7984 1 17 . 1 1 60 60 ARG HA H 60 4.799 4.591 0.208 17414 7985 1 17 . 1 1 61 61 ILE N N 61 128.222 127.584 0.638 17414 7986 1 17 . 1 1 61 61 ILE HA H 61 4.492 4.287 0.205 17414 7987 1 17 . 1 1 61 61 ILE CA C 61 58.741 60.278 -1.537 17414 7988 1 17 . 1 1 61 61 ILE CB C 61 37.622 38.143 -0.521 17414 7989 1 17 . 1 1 62 62 ALA N N 62 128.005 131.889 -3.884 17414 7990 1 17 . 1 1 62 62 ALA HA H 62 4.108 3.987 0.121 17414 7991 1 17 . 1 1 62 62 ALA CA C 62 54.129 53.376 0.753 17414 7992 1 17 . 1 1 62 62 ALA CB C 62 18.002 18.059 -0.057 17414 7993 1 17 . 1 1 63 63 GLY CA C 63 44.912 45.520 -0.608 17414 7994 1 17 . 1 1 64 64 GLY N N 64 107.906 108.339 -0.433 17414 7995 1 17 . 1 1 64 64 GLY CA C 64 44.751 46.417 -1.666 17414 7996 1 17 . 1 1 65 65 ALA N N 65 125.759 123.789 1.970 17414 7997 1 17 . 1 1 65 65 ALA HA H 65 4.394 4.739 -0.345 17414 7998 1 17 . 1 1 65 65 ALA CA C 65 51.764 51.282 0.482 17414 7999 1 17 . 1 1 65 65 ALA CB C 65 19.458 21.685 -2.227 17414 8000 1 17 . 1 1 66 66 ILE N N 66 118.136 119.006 -0.870 17414 8001 1 17 . 1 1 66 66 ILE HA H 66 4.705 5.011 -0.306 17414 8002 1 17 . 1 1 66 66 ILE CA C 66 59.670 59.808 -0.138 17414 8003 1 17 . 1 1 66 66 ILE CB C 66 40.415 41.537 -1.122 17414 8004 1 17 . 1 1 67 67 LEU N N 67 127.715 127.733 -0.018 17414 8005 1 17 . 1 1 67 67 LEU HA H 67 4.728 5.167 -0.439 17414 8006 1 17 . 1 1 67 67 LEU CA C 67 53.331 52.992 0.339 17414 8007 1 17 . 1 1 67 67 LEU CB C 67 44.102 45.078 -0.976 17414 8008 1 17 . 1 1 68 68 TRP N N 68 129.332 128.827 0.505 17414 8009 1 17 . 1 1 68 68 TRP HA H 68 5.672 5.462 0.210 17414 8010 1 17 . 1 1 68 68 TRP CA C 68 54.812 55.658 -0.846 17414 8011 1 17 . 1 1 68 68 TRP CB C 68 29.742 30.036 -0.294 17414 8012 1 17 . 1 1 69 69 ALA N N 69 124.233 126.051 -1.818 17414 8013 1 17 . 1 1 69 69 ALA HA H 69 5.243 5.088 0.155 17414 8014 1 17 . 1 1 69 69 ALA CA C 69 49.203 50.561 -1.358 17414 8015 1 17 . 1 1 69 69 ALA CB C 69 22.138 23.512 -1.374 17414 8016 1 17 . 1 1 70 70 THR N N 70 111.459 111.090 0.369 17414 8017 1 17 . 1 1 70 70 THR HA H 70 5.152 4.791 0.361 17414 8018 1 17 . 1 1 70 70 THR CA C 70 60.495 60.386 0.109 17414 8019 1 17 . 1 1 70 70 THR CB C 70 67.570 68.903 -1.333 17414 8020 1 17 . 1 1 71 71 PRO HA H 71 4.165 4.536 -0.371 17414 8021 1 17 . 1 1 71 71 PRO CA C 71 64.390 64.851 -0.461 17414 8022 1 17 . 1 1 72 72 ASP N N 72 112.234 115.694 -3.460 17414 8023 1 17 . 1 1 72 72 ASP HA H 72 4.505 4.618 -0.113 17414 8024 1 17 . 1 1 72 72 ASP CA C 72 52.827 54.455 -1.628 17414 8025 1 17 . 1 1 73 73 HIS N N 73 125.389 121.442 3.947 17414 8026 1 17 . 1 1 73 73 HIS HA H 73 3.796 4.489 -0.693 17414 8027 1 17 . 1 1 73 73 HIS CA C 73 58.310 57.190 1.120 17414 8028 1 17 . 1 1 73 73 HIS CB C 73 32.385 30.715 1.670 17414 8029 1 17 . 1 1 74 74 LYS N N 74 127.412 125.523 1.889 17414 8030 1 17 . 1 1 74 74 LYS HA H 74 4.661 4.644 0.017 17414 8031 1 17 . 1 1 74 74 LYS CA C 74 56.845 56.166 0.679 17414 8032 1 17 . 1 1 75 75 VAL N N 75 125.726 124.821 0.905 17414 8033 1 17 . 1 1 75 75 VAL HA H 75 4.754 4.851 -0.097 17414 8034 1 17 . 1 1 75 75 VAL CA C 75 60.739 61.394 -0.655 17414 8035 1 17 . 1 1 75 75 VAL CB C 75 35.276 34.299 0.977 17414 8036 1 17 . 1 1 76 76 LEU N N 76 129.759 129.880 -0.121 17414 8037 1 17 . 1 1 76 76 LEU HA H 76 3.514 4.243 -0.729 17414 8038 1 17 . 1 1 76 76 LEU CA C 76 55.222 54.174 1.048 17414 8039 1 17 . 1 1 76 76 LEU CB C 76 39.052 42.277 -3.225 17414 8040 1 17 . 1 1 77 77 THR N N 77 116.138 117.166 -1.028 17414 8041 1 17 . 1 1 77 77 THR HA H 77 5.295 4.785 0.510 17414 8042 1 17 . 1 1 77 77 THR CA C 77 59.543 60.118 -0.575 17414 8043 1 17 . 1 1 78 78 GLU N N 78 119.986 119.441 0.545 17414 8044 1 17 . 1 1 78 78 GLU HA H 78 3.558 3.815 -0.257 17414 8045 1 17 . 1 1 78 78 GLU CA C 78 57.551 58.015 -0.464 17414 8046 1 17 . 1 1 78 78 GLU CB C 78 28.385 28.212 0.173 17414 8047 1 17 . 1 1 79 79 TYR N N 79 117.251 118.337 -1.086 17414 8048 1 17 . 1 1 79 79 TYR HA H 79 4.749 4.550 0.199 17414 8049 1 17 . 1 1 79 79 TYR CA C 79 55.553 58.086 -2.533 17414 8050 1 17 . 1 1 79 79 TYR CB C 79 37.935 38.969 -1.034 17414 8051 1 17 . 1 1 80 80 GLY N N 80 106.884 107.243 -0.359 17414 8052 1 17 . 1 1 80 80 GLY CA C 80 42.757 44.309 -1.552 17414 8053 1 17 . 1 1 81 81 TRP N N 81 125.593 122.997 2.596 17414 8054 1 17 . 1 1 81 81 TRP HA H 81 4.884 5.188 -0.304 17414 8055 1 17 . 1 1 81 81 TRP CA C 81 57.790 57.425 0.365 17414 8056 1 17 . 1 1 81 81 TRP CB C 81 29.255 30.779 -1.524 17414 8057 1 17 . 1 1 82 82 ARG N N 82 124.625 122.417 2.208 17414 8058 1 17 . 1 1 82 82 ARG HA H 82 4.773 4.959 -0.186 17414 8059 1 17 . 1 1 82 82 ARG CA C 82 53.895 54.148 -0.253 17414 8060 1 17 . 1 1 83 83 ALA N N 83 125.891 126.532 -0.641 17414 8061 1 17 . 1 1 83 83 ALA HA H 83 4.293 4.467 -0.174 17414 8062 1 17 . 1 1 83 83 ALA CA C 83 51.686 52.639 -0.953 17414 8063 1 17 . 1 1 84 84 ALA N N 84 125.790 125.205 0.585 17414 8064 1 17 . 1 1 84 84 ALA HA H 84 3.930 4.031 -0.101 17414 8065 1 17 . 1 1 84 84 ALA CB C 84 17.269 18.640 -1.371 17414 8066 1 17 . 1 1 85 85 GLY N N 85 102.306 105.368 -3.062 17414 8067 1 17 . 1 1 86 86 GLU N N 86 117.564 118.034 -0.470 17414 8068 1 17 . 1 1 86 86 GLU HA H 86 4.414 4.447 -0.033 17414 8069 1 17 . 1 1 86 86 GLU CA C 86 55.233 56.325 -1.092 17414 8070 1 17 . 1 1 86 86 GLU CB C 86 30.231 30.751 -0.520 17414 8071 1 17 . 1 1 87 87 LEU N N 87 119.746 122.259 -2.513 17414 8072 1 17 . 1 1 87 87 LEU HA H 87 4.417 4.295 0.122 17414 8073 1 17 . 1 1 87 87 LEU CA C 87 54.274 55.395 -1.121 17414 8074 1 17 . 1 1 87 87 LEU CB C 87 41.471 42.201 -0.730 17414 8075 1 17 . 1 1 88 88 ARG N N 88 120.899 124.677 -3.778 17414 8076 1 17 . 1 1 88 88 ARG HA H 88 4.627 5.027 -0.400 17414 8077 1 17 . 1 1 88 88 ARG CA C 88 52.594 54.115 -1.521 17414 8078 1 17 . 1 1 89 89 LYS N N 89 119.795 125.969 -6.174 17414 8079 1 17 . 1 1 89 89 LYS HA H 89 3.669 4.053 -0.384 17414 8080 1 17 . 1 1 89 89 LYS CA C 89 57.770 57.931 -0.161 17414 8081 1 17 . 1 1 90 90 GLY N N 90 115.070 112.558 2.512 17414 8082 1 17 . 1 1 90 90 GLY CA C 90 44.499 45.342 -0.843 17414 8083 1 17 . 1 1 91 91 ASP N N 91 121.652 121.591 0.061 17414 8084 1 17 . 1 1 91 91 ASP HA H 91 4.716 4.740 -0.024 17414 8085 1 17 . 1 1 91 91 ASP CA C 91 55.866 54.201 1.665 17414 8086 1 17 . 1 1 92 92 ARG N N 92 117.826 123.295 -5.469 17414 8087 1 17 . 1 1 92 92 ARG HA H 92 5.241 5.036 0.205 17414 8088 1 17 . 1 1 92 92 ARG CA C 92 54.976 55.705 -0.729 17414 8089 1 17 . 1 1 92 92 ARG CB C 92 31.655 31.715 -0.060 17414 8090 1 17 . 1 1 93 93 VAL N N 93 115.034 118.228 -3.194 17414 8091 1 17 . 1 1 93 93 VAL HA H 93 4.839 4.919 -0.080 17414 8092 1 17 . 1 1 93 93 VAL CA C 93 58.222 59.445 -1.223 17414 8093 1 17 . 1 1 94 94 ALA N N 94 126.192 125.071 1.121 17414 8094 1 17 . 1 1 94 94 ALA HA H 94 4.271 3.726 0.545 17414 8095 1 17 . 1 1 94 94 ALA CA C 94 50.975 52.031 -1.056 17414 8096 1 17 . 1 1 94 94 ALA CB C 94 18.748 18.909 -0.161 17414 8097 1 17 . 1 1 95 95 VAL N N 95 115.179 116.499 -1.320 17414 8098 1 17 . 1 1 95 95 VAL HA H 95 5.317 4.958 0.359 17414 8099 1 17 . 1 1 95 95 VAL CA C 95 57.154 58.770 -1.616 17414 8100 1 17 . 1 1 95 95 VAL CB C 95 35.186 35.621 -0.435 17414 8101 1 17 . 1 1 96 96 ARG N N 96 119.288 122.171 -2.883 17414 8102 1 17 . 1 1 96 96 ARG HA H 96 4.230 4.896 -0.666 17414 8103 1 17 . 1 1 96 96 ARG CA C 96 53.613 54.475 -0.862 17414 8104 1 17 . 1 1 96 96 ARG CB C 96 31.697 32.790 -1.093 17414 8105 1 17 . 1 1 97 97 ASP N N 97 131.180 125.955 5.225 17414 8106 1 17 . 1 1 97 97 ASP HA H 97 4.415 4.791 -0.376 17414 8107 1 17 . 1 1 97 97 ASP CA C 97 53.887 52.970 0.917 17414 8108 1 17 . 1 1 97 97 ASP CB C 97 42.723 41.974 0.749 17414 8109 1 17 . 1 1 98 98 VAL N N 98 126.152 126.446 -0.294 17414 8110 1 17 . 1 1 98 98 VAL HA H 98 3.489 3.897 -0.408 17414 8111 1 17 . 1 1 98 98 VAL CA C 98 64.431 64.205 0.226 17414 8112 1 17 . 1 1 98 98 VAL CB C 98 31.047 31.859 -0.812 17414 8113 1 17 . 1 1 99 99 GLU N N 99 118.883 121.434 -2.551 17414 8114 1 17 . 1 1 99 99 GLU HA H 99 4.127 4.099 0.028 17414 8115 1 17 . 1 1 99 99 GLU CA C 99 58.178 59.212 -1.034 17414 8116 1 17 . 1 1 99 99 GLU CB C 99 29.591 29.589 0.002 17414 8117 1 17 . 1 1 100 100 THR N N 100 106.301 109.243 -2.942 17414 8118 1 17 . 1 1 100 100 THR HA H 100 4.316 4.404 -0.088 17414 8119 1 17 . 1 1 100 100 THR CA C 100 61.407 62.115 -0.708 17414 8120 1 17 . 1 1 100 100 THR CB C 100 70.856 70.509 0.347 17414 8121 1 17 . 1 1 101 101 GLY N N 101 111.204 111.896 -0.692 17414 8122 1 17 . 1 1 101 101 GLY CA C 101 45.284 45.503 -0.219 17414 8123 1 17 . 1 1 102 102 GLU N N 102 118.458 120.559 -2.101 17414 8124 1 17 . 1 1 102 102 GLU HA H 102 4.301 4.383 -0.082 17414 8125 1 17 . 1 1 102 102 GLU CA C 102 55.160 56.149 -0.989 17414 8126 1 17 . 1 1 102 102 GLU CB C 102 31.769 30.984 0.785 17414 8127 1 17 . 1 1 103 103 LEU N N 103 121.701 124.116 -2.415 17414 8128 1 17 . 1 1 103 103 LEU HA H 103 4.716 4.872 -0.156 17414 8129 1 17 . 1 1 103 103 LEU CA C 103 54.930 54.458 0.472 17414 8130 1 17 . 1 1 103 103 LEU CB C 103 42.346 43.333 -0.987 17414 8131 1 17 . 1 1 104 104 ARG N N 104 127.157 123.910 3.247 17414 8132 1 17 . 1 1 104 104 ARG HA H 104 4.403 5.080 -0.677 17414 8133 1 17 . 1 1 104 104 ARG CA C 104 53.201 53.586 -0.385 17414 8134 1 17 . 1 1 104 104 ARG CB C 104 32.989 33.802 -0.813 17414 8135 1 17 . 1 1 105 105 TYR N N 105 116.202 116.654 -0.452 17414 8136 1 17 . 1 1 105 105 TYR HA H 105 5.490 5.418 0.072 17414 8137 1 17 . 1 1 105 105 TYR CA C 105 56.831 56.632 0.199 17414 8138 1 17 . 1 1 105 105 TYR CB C 105 40.116 42.308 -2.192 17414 8139 1 17 . 1 1 106 106 SER N N 106 118.250 115.579 2.671 17414 8140 1 17 . 1 1 106 106 SER HA H 106 4.807 5.112 -0.305 17414 8141 1 17 . 1 1 106 106 SER CA C 106 55.888 57.611 -1.723 17414 8142 1 17 . 1 1 106 106 SER CB C 106 66.301 66.879 -0.578 17414 8143 1 17 . 1 1 107 107 VAL N N 107 122.160 121.831 0.329 17414 8144 1 17 . 1 1 107 107 VAL HA H 107 4.423 4.564 -0.141 17414 8145 1 17 . 1 1 107 107 VAL CA C 107 61.369 61.438 -0.069 17414 8146 1 17 . 1 1 107 107 VAL CB C 107 33.633 33.186 0.447 17414 8147 1 17 . 1 1 108 108 ILE N N 108 123.427 125.602 -2.175 17414 8148 1 17 . 1 1 108 108 ILE HA H 108 4.100 4.149 -0.049 17414 8149 1 17 . 1 1 108 108 ILE CA C 108 61.321 61.657 -0.336 17414 8150 1 17 . 1 1 108 108 ILE CB C 108 37.408 37.589 -0.181 17414 8151 1 17 . 1 1 109 109 ARG N N 109 130.207 127.362 2.845 17414 8152 1 17 . 1 1 109 109 ARG HA H 109 4.254 4.242 0.012 17414 8153 1 17 . 1 1 109 109 ARG CA C 109 55.904 58.144 -2.240 17414 8154 1 17 . 1 1 110 110 GLU N N 110 116.804 116.842 -0.038 17414 8155 1 17 . 1 1 110 110 GLU HA H 110 4.274 4.623 -0.349 17414 8156 1 17 . 1 1 110 110 GLU CA C 110 55.889 56.077 -0.188 17414 8157 1 17 . 1 1 110 110 GLU CB C 110 33.186 33.353 -0.167 17414 8158 1 17 . 1 1 111 111 VAL N N 111 125.709 126.613 -0.904 17414 8159 1 17 . 1 1 111 111 VAL HA H 111 4.709 4.529 0.180 17414 8160 1 17 . 1 1 111 111 VAL CA C 111 60.903 61.522 -0.619 17414 8161 1 17 . 1 1 111 111 VAL CB C 111 31.927 33.074 -1.147 17414 8162 1 17 . 1 1 112 112 LEU N N 112 132.638 128.073 4.565 17414 8163 1 17 . 1 1 112 112 LEU HA H 112 4.741 4.748 -0.007 17414 8164 1 17 . 1 1 112 112 LEU CA C 112 52.655 52.344 0.311 17414 8165 1 17 . 1 1 112 112 LEU CB C 112 40.998 41.763 -0.765 17414 8166 1 17 . 1 1 113 113 PRO HA H 113 4.532 4.590 -0.058 17414 8167 1 17 . 1 1 113 113 PRO CA C 113 61.916 62.223 -0.307 17414 8168 1 17 . 1 1 113 113 PRO CB C 113 32.608 32.761 -0.153 17414 8169 1 17 . 1 1 114 114 THR N N 114 112.542 113.109 -0.567 17414 8170 1 17 . 1 1 114 114 THR HA H 114 4.973 4.365 0.608 17414 8171 1 17 . 1 1 114 114 THR CA C 114 61.865 61.735 0.130 17414 8172 1 17 . 1 1 114 114 THR CB C 114 69.345 69.960 -0.615 17414 8173 1 17 . 1 1 115 115 ARG N N 115 123.213 123.471 -0.258 17414 8174 1 17 . 1 1 115 115 ARG HA H 115 4.694 4.750 -0.056 17414 8175 1 17 . 1 1 115 115 ARG CA C 115 54.302 54.091 0.211 17414 8176 1 17 . 1 1 115 115 ARG CB C 115 32.684 32.543 0.141 17414 8177 1 17 . 1 1 116 116 ARG N N 116 119.004 120.312 -1.308 17414 8178 1 17 . 1 1 116 116 ARG HA H 116 4.879 5.154 -0.275 17414 8179 1 17 . 1 1 116 116 ARG CA C 116 54.554 54.796 -0.242 17414 8180 1 17 . 1 1 116 116 ARG CB C 116 30.285 34.088 -3.803 17414 8181 1 17 . 1 1 117 117 ALA N N 117 124.834 122.330 2.504 17414 8182 1 17 . 1 1 117 117 ALA HA H 117 4.599 4.756 -0.157 17414 8183 1 17 . 1 1 117 117 ALA CA C 117 50.434 50.965 -0.531 17414 8184 1 17 . 1 1 117 117 ALA CB C 117 23.139 22.926 0.213 17414 8185 1 17 . 1 1 118 118 ARG N N 118 120.885 119.336 1.549 17414 8186 1 17 . 1 1 118 118 ARG HA H 118 3.925 4.862 -0.937 17414 8187 1 17 . 1 1 118 118 ARG CA C 118 57.559 56.696 0.863 17414 8188 1 17 . 1 1 118 118 ARG CB C 118 30.409 31.303 -0.894 17414 8189 1 17 . 1 1 119 119 THR N N 119 111.492 113.258 -1.766 17414 8190 1 17 . 1 1 119 119 THR HA H 119 5.309 5.507 -0.198 17414 8191 1 17 . 1 1 119 119 THR CA C 119 60.071 59.740 0.331 17414 8192 1 17 . 1 1 119 119 THR CB C 119 72.737 71.837 0.900 17414 8193 1 17 . 1 1 120 120 PHE N N 120 113.949 119.796 -5.847 17414 8194 1 17 . 1 1 120 120 PHE HA H 120 5.311 5.338 -0.027 17414 8195 1 17 . 1 1 120 120 PHE CA C 120 57.898 56.199 1.699 17414 8196 1 17 . 1 1 120 120 PHE CB C 120 46.203 43.627 2.576 17414 8197 1 17 . 1 1 121 121 ASP N N 121 118.841 119.186 -0.345 17414 8198 1 17 . 1 1 121 121 ASP HA H 121 5.352 5.468 -0.116 17414 8199 1 17 . 1 1 121 121 ASP CA C 121 55.227 53.756 1.471 17414 8200 1 17 . 1 1 121 121 ASP CB C 121 47.673 44.381 3.292 17414 8201 1 17 . 1 1 122 122 LEU N N 122 118.637 124.228 -5.591 17414 8202 1 17 . 1 1 122 122 LEU HA H 122 4.809 5.154 -0.345 17414 8203 1 17 . 1 1 122 122 LEU CB C 122 45.915 45.774 0.141 17414 8204 1 17 . 1 1 123 123 GLU N N 123 118.694 124.887 -6.193 17414 8205 1 17 . 1 1 123 123 GLU HA H 123 4.515 4.616 -0.101 17414 8206 1 17 . 1 1 123 123 GLU CA C 123 54.697 55.424 -0.727 17414 8207 1 17 . 1 1 124 124 VAL N N 124 129.259 126.942 2.317 17414 8208 1 17 . 1 1 124 124 VAL HA H 124 4.065 4.338 -0.273 17414 8209 1 17 . 1 1 124 124 VAL CA C 124 61.193 61.209 -0.016 17414 8210 1 17 . 1 1 124 124 VAL CB C 124 33.607 32.322 1.285 17414 8211 1 17 . 1 1 125 125 GLU N N 125 128.432 128.181 0.251 17414 8212 1 17 . 1 1 125 125 GLU HA H 125 3.672 4.114 -0.442 17414 8213 1 17 . 1 1 125 125 GLU CA C 125 58.494 59.765 -1.271 17414 8214 1 17 . 1 1 125 125 GLU CB C 125 30.552 29.391 1.161 17414 8215 1 17 . 1 1 126 126 GLU N N 126 120.993 121.104 -0.111 17414 8216 1 17 . 1 1 126 126 GLU HA H 126 3.570 4.588 -1.018 17414 8217 1 17 . 1 1 126 126 GLU CA C 126 61.229 57.400 3.829 17414 8218 1 17 . 1 1 126 126 GLU CB C 126 29.621 32.952 -3.331 17414 8219 1 17 . 1 1 127 127 LEU N N 127 120.945 120.203 0.742 17414 8220 1 17 . 1 1 127 127 LEU HA H 127 4.205 4.328 -0.123 17414 8221 1 17 . 1 1 127 127 LEU CA C 127 55.681 53.775 1.906 17414 8222 1 17 . 1 1 128 128 HIS HA H 128 4.584 4.307 0.277 17414 8223 1 17 . 1 1 128 128 HIS CA C 128 54.566 57.453 -2.887 17414 8224 1 17 . 1 1 128 128 HIS CB C 128 26.062 29.524 -3.462 17414 8225 1 17 . 1 1 129 129 THR N N 129 105.639 114.840 -9.201 17414 8226 1 17 . 1 1 129 129 THR HA H 129 4.899 4.858 0.041 17414 8227 1 17 . 1 1 129 129 THR CA C 129 58.380 61.186 -2.806 17414 8228 1 17 . 1 1 129 129 THR CB C 129 72.980 71.017 1.963 17414 8229 1 17 . 1 1 130 130 LEU N N 130 111.598 120.736 -9.138 17414 8230 1 17 . 1 1 130 130 LEU HA H 130 5.537 5.235 0.302 17414 8231 1 17 . 1 1 130 130 LEU CA C 130 54.683 53.858 0.825 17414 8232 1 17 . 1 1 130 130 LEU CB C 130 44.277 45.076 -0.799 17414 8233 1 17 . 1 1 131 131 VAL N N 131 119.670 121.237 -1.567 17414 8234 1 17 . 1 1 131 131 VAL HA H 131 4.830 4.631 0.199 17414 8235 1 17 . 1 1 131 131 VAL CA C 131 61.285 62.433 -1.148 17414 8236 1 17 . 1 1 131 131 VAL CB C 131 30.272 31.893 -1.621 17414 8237 1 17 . 1 1 132 132 ALA N N 132 134.824 128.832 5.992 17414 8238 1 17 . 1 1 132 132 ALA HA H 132 4.931 4.824 0.107 17414 8239 1 17 . 1 1 132 132 ALA CA C 132 49.999 50.785 -0.786 17414 8240 1 17 . 1 1 132 132 ALA CB C 132 21.422 21.525 -0.103 17414 8241 1 17 . 1 1 133 133 GLU N N 133 118.979 124.785 -5.806 17414 8242 1 17 . 1 1 133 133 GLU HA H 133 3.826 4.079 -0.253 17414 8243 1 17 . 1 1 133 133 GLU CA C 133 57.065 57.752 -0.687 17414 8244 1 17 . 1 1 133 133 GLU CB C 133 26.406 28.332 -1.926 17414 8245 1 17 . 1 1 134 134 GLY N N 134 100.017 104.292 -4.275 17414 8246 1 17 . 1 1 134 134 GLY CA C 134 45.352 45.462 -0.110 17414 8247 1 17 . 1 1 135 135 VAL N N 135 122.381 121.373 1.008 17414 8248 1 17 . 1 1 135 135 VAL HA H 135 4.560 4.140 0.420 17414 8249 1 17 . 1 1 135 135 VAL CA C 135 60.885 62.101 -1.216 17414 8250 1 17 . 1 1 135 135 VAL CB C 135 32.542 32.817 -0.275 17414 8251 1 17 . 1 1 136 136 VAL N N 136 126.302 126.174 0.128 17414 8252 1 17 . 1 1 136 136 VAL HA H 136 4.254 4.774 -0.520 17414 8253 1 17 . 1 1 136 136 VAL CA C 136 63.608 61.413 2.195 17414 8254 1 17 . 1 1 136 136 VAL CB C 136 30.519 32.948 -2.429 17414 8255 1 17 . 1 1 137 137 VAL N N 137 118.757 120.764 -2.007 17414 8256 1 17 . 1 1 137 137 VAL HA H 137 5.743 5.160 0.583 17414 8257 1 17 . 1 1 137 137 VAL CA C 137 58.252 59.849 -1.597 17414 8258 1 17 . 1 1 137 137 VAL CB C 137 36.378 35.971 0.407 17414 8259 1 17 . 1 1 138 138 HIS N N 138 120.902 123.498 -2.596 17414 8260 1 17 . 1 1 138 138 HIS HA H 138 4.434 4.260 0.174 17414 8261 1 17 . 1 1 138 138 HIS CA C 138 56.439 57.477 -1.038 17414 8262 1 17 . 1 1 138 138 HIS CB C 138 30.583 30.123 0.460 17414 8263 1 18 . 1 1 2 2 LEU N N 2 122.945 122.417 0.528 17414 8264 1 18 . 1 1 2 2 LEU HA H 2 5.005 5.075 -0.070 17414 8265 1 18 . 1 1 2 2 LEU CA C 2 53.355 53.505 -0.150 17414 8266 1 18 . 1 1 2 2 LEU CB C 2 43.858 44.089 -0.231 17414 8267 1 18 . 1 1 3 3 ALA N N 3 121.232 127.152 -5.920 17414 8268 1 18 . 1 1 3 3 ALA HA H 3 4.730 4.765 -0.035 17414 8269 1 18 . 1 1 3 3 ALA CA C 3 52.302 51.375 0.927 17414 8270 1 18 . 1 1 3 3 ALA CB C 3 21.769 20.142 1.627 17414 8271 1 18 . 1 1 4 4 GLU N N 4 121.283 121.863 -0.580 17414 8272 1 18 . 1 1 4 4 GLU HA H 4 4.074 4.097 -0.023 17414 8273 1 18 . 1 1 4 4 GLU CA C 4 57.136 58.533 -1.397 17414 8274 1 18 . 1 1 4 4 GLU CB C 4 31.847 29.448 2.399 17414 8275 1 18 . 1 1 5 5 GLY N N 5 119.858 115.161 4.697 17414 8276 1 18 . 1 1 5 5 GLY CA C 5 44.157 45.183 -1.026 17414 8277 1 18 . 1 1 6 6 THR N N 6 117.099 116.835 0.264 17414 8278 1 18 . 1 1 6 6 THR HA H 6 4.301 4.245 0.056 17414 8279 1 18 . 1 1 6 6 THR CA C 6 65.228 63.844 1.384 17414 8280 1 18 . 1 1 6 6 THR CB C 6 68.654 69.098 -0.444 17414 8281 1 18 . 1 1 7 7 ARG N N 7 130.107 127.171 2.936 17414 8282 1 18 . 1 1 7 7 ARG HA H 7 4.878 4.688 0.190 17414 8283 1 18 . 1 1 7 7 ARG CA C 7 55.868 56.216 -0.348 17414 8284 1 18 . 1 1 8 8 ILE N N 8 123.872 122.537 1.335 17414 8285 1 18 . 1 1 8 8 ILE HA H 8 4.531 4.676 -0.145 17414 8286 1 18 . 1 1 8 8 ILE CA C 8 59.240 60.489 -1.249 17414 8287 1 18 . 1 1 8 8 ILE CB C 8 40.450 40.594 -0.144 17414 8288 1 18 . 1 1 9 9 PHE N N 9 129.317 129.496 -0.179 17414 8289 1 18 . 1 1 9 9 PHE HA H 9 4.832 4.743 0.089 17414 8290 1 18 . 1 1 9 9 PHE CA C 9 56.960 57.754 -0.794 17414 8291 1 18 . 1 1 9 9 PHE CB C 9 40.542 39.928 0.614 17414 8292 1 18 . 1 1 10 10 ASP N N 10 128.073 128.118 -0.045 17414 8293 1 18 . 1 1 10 10 ASP HA H 10 5.529 5.125 0.404 17414 8294 1 18 . 1 1 10 10 ASP CA C 10 49.160 48.950 0.210 17414 8295 1 18 . 1 1 10 10 ASP CB C 10 43.037 41.863 1.174 17414 8296 1 18 . 1 1 11 11 PRO HA H 11 3.974 4.548 -0.574 17414 8297 1 18 . 1 1 11 11 PRO CA C 11 62.348 65.141 -2.793 17414 8298 1 18 . 1 1 11 11 PRO CB C 11 30.977 31.986 -1.009 17414 8299 1 18 . 1 1 12 12 VAL N N 12 124.105 116.446 7.659 17414 8300 1 18 . 1 1 12 12 VAL HA H 12 3.591 3.717 -0.126 17414 8301 1 18 . 1 1 12 12 VAL CA C 12 64.849 65.618 -0.769 17414 8302 1 18 . 1 1 13 13 THR N N 13 107.133 113.940 -6.807 17414 8303 1 18 . 1 1 13 13 THR HA H 13 4.228 4.122 0.106 17414 8304 1 18 . 1 1 13 13 THR CA C 13 60.944 64.406 -3.462 17414 8305 1 18 . 1 1 13 13 THR CB C 13 69.447 69.315 0.132 17414 8306 1 18 . 1 1 14 14 GLY N N 14 112.897 108.955 3.942 17414 8307 1 18 . 1 1 14 14 GLY CA C 14 45.650 45.372 0.278 17414 8308 1 18 . 1 1 15 15 THR N N 15 117.286 116.022 1.264 17414 8309 1 18 . 1 1 15 15 THR HA H 15 4.276 4.505 -0.229 17414 8310 1 18 . 1 1 15 15 THR CA C 15 61.382 60.879 0.503 17414 8311 1 18 . 1 1 15 15 THR CB C 15 70.037 71.200 -1.163 17414 8312 1 18 . 1 1 16 16 THR N N 16 120.518 118.902 1.616 17414 8313 1 18 . 1 1 16 16 THR HA H 16 4.911 4.413 0.498 17414 8314 1 18 . 1 1 16 16 THR CA C 16 62.321 62.876 -0.555 17414 8315 1 18 . 1 1 16 16 THR CB C 16 69.184 68.846 0.338 17414 8316 1 18 . 1 1 17 17 HIS N N 17 127.011 126.352 0.659 17414 8317 1 18 . 1 1 17 17 HIS HA H 17 4.586 5.058 -0.472 17414 8318 1 18 . 1 1 17 17 HIS CA C 17 54.406 54.422 -0.016 17414 8319 1 18 . 1 1 17 17 HIS CB C 17 35.299 32.413 2.886 17414 8320 1 18 . 1 1 18 18 ARG N N 18 120.890 121.820 -0.930 17414 8321 1 18 . 1 1 18 18 ARG HA H 18 4.679 4.452 0.227 17414 8322 1 18 . 1 1 18 18 ARG CA C 18 54.802 55.471 -0.669 17414 8323 1 18 . 1 1 18 18 ARG CB C 18 29.657 31.595 -1.938 17414 8324 1 18 . 1 1 19 19 ILE N N 19 125.005 126.644 -1.639 17414 8325 1 18 . 1 1 19 19 ILE HA H 19 3.696 3.869 -0.173 17414 8326 1 18 . 1 1 19 19 ILE CA C 19 66.021 64.100 1.921 17414 8327 1 18 . 1 1 19 19 ILE CB C 19 37.936 37.769 0.167 17414 8328 1 18 . 1 1 20 20 GLU N N 20 123.813 119.348 4.465 17414 8329 1 18 . 1 1 20 20 GLU HA H 20 2.787 3.575 -0.788 17414 8330 1 18 . 1 1 20 20 GLU CA C 20 57.675 58.817 -1.142 17414 8331 1 18 . 1 1 20 20 GLU CB C 20 28.945 28.925 0.020 17414 8332 1 18 . 1 1 21 21 ASP N N 21 123.330 120.740 2.590 17414 8333 1 18 . 1 1 21 21 ASP HA H 21 4.489 4.325 0.164 17414 8334 1 18 . 1 1 21 21 ASP CA C 21 55.734 56.662 -0.928 17414 8335 1 18 . 1 1 21 21 ASP CB C 21 40.038 40.623 -0.585 17414 8336 1 18 . 1 1 22 22 VAL N N 22 121.407 119.786 1.621 17414 8337 1 18 . 1 1 22 22 VAL HA H 22 3.303 3.488 -0.185 17414 8338 1 18 . 1 1 22 22 VAL CA C 22 65.768 66.443 -0.675 17414 8339 1 18 . 1 1 22 22 VAL CB C 22 31.327 31.472 -0.145 17414 8340 1 18 . 1 1 23 23 VAL N N 23 116.800 120.585 -3.785 17414 8341 1 18 . 1 1 23 23 VAL HA H 23 3.928 3.728 0.200 17414 8342 1 18 . 1 1 23 23 VAL CA C 23 66.310 66.371 -0.061 17414 8343 1 18 . 1 1 24 24 GLY N N 24 120.577 108.290 12.287 17414 8344 1 18 . 1 1 25 25 GLY N N 25 103.034 108.483 -5.449 17414 8345 1 18 . 1 1 25 25 GLY CA C 25 43.755 44.822 -1.067 17414 8346 1 18 . 1 1 26 26 ARG N N 26 122.306 118.567 3.739 17414 8347 1 18 . 1 1 26 26 ARG HA H 26 1.544 3.109 -1.565 17414 8348 1 18 . 1 1 26 26 ARG CA C 26 55.119 56.286 -1.167 17414 8349 1 18 . 1 1 26 26 ARG CB C 26 26.620 28.147 -1.527 17414 8350 1 18 . 1 1 27 27 LYS N N 27 115.887 118.876 -2.989 17414 8351 1 18 . 1 1 27 27 LYS HA H 27 4.168 4.377 -0.209 17414 8352 1 18 . 1 1 27 27 LYS CB C 27 33.503 32.782 0.721 17414 8353 1 18 . 1 1 28 28 PRO HA H 28 5.145 5.128 0.017 17414 8354 1 18 . 1 1 28 28 PRO CA C 28 61.507 63.617 -2.110 17414 8355 1 18 . 1 1 28 28 PRO CB C 28 27.787 32.151 -4.364 17414 8356 1 18 . 1 1 29 29 ILE N N 29 116.657 119.018 -2.361 17414 8357 1 18 . 1 1 29 29 ILE HA H 29 4.443 4.221 0.222 17414 8358 1 18 . 1 1 29 29 ILE CA C 29 60.723 60.880 -0.157 17414 8359 1 18 . 1 1 29 29 ILE CB C 29 38.563 39.021 -0.458 17414 8360 1 18 . 1 1 30 30 HIS N N 30 118.274 119.298 -1.024 17414 8361 1 18 . 1 1 30 30 HIS HA H 30 5.152 5.389 -0.237 17414 8362 1 18 . 1 1 30 30 HIS CA C 30 55.902 54.080 1.822 17414 8363 1 18 . 1 1 30 30 HIS CB C 30 30.925 34.138 -3.213 17414 8364 1 18 . 1 1 31 31 VAL N N 31 107.262 116.338 -9.076 17414 8365 1 18 . 1 1 31 31 VAL HA H 31 5.212 4.853 0.359 17414 8366 1 18 . 1 1 31 31 VAL CA C 31 57.692 59.358 -1.666 17414 8367 1 18 . 1 1 31 31 VAL CB C 31 34.153 36.348 -2.195 17414 8368 1 18 . 1 1 32 32 VAL N N 32 119.900 122.758 -2.858 17414 8369 1 18 . 1 1 32 32 VAL HA H 32 4.246 4.810 -0.564 17414 8370 1 18 . 1 1 32 32 VAL CA C 32 62.504 60.493 2.011 17414 8371 1 18 . 1 1 33 33 ALA N N 33 128.967 129.824 -0.857 17414 8372 1 18 . 1 1 33 33 ALA HA H 33 4.522 5.272 -0.750 17414 8373 1 18 . 1 1 33 33 ALA CA C 33 49.594 50.017 -0.423 17414 8374 1 18 . 1 1 33 33 ALA CB C 33 23.635 23.750 -0.115 17414 8375 1 18 . 1 1 34 34 ALA N N 34 121.236 121.547 -0.311 17414 8376 1 18 . 1 1 34 34 ALA HA H 34 5.207 5.421 -0.214 17414 8377 1 18 . 1 1 34 34 ALA CA C 34 49.704 50.296 -0.592 17414 8378 1 18 . 1 1 35 35 ALA N N 35 125.943 122.231 3.712 17414 8379 1 18 . 1 1 35 35 ALA HA H 35 4.633 4.724 -0.091 17414 8380 1 18 . 1 1 35 35 ALA CA C 35 50.168 49.940 0.228 17414 8381 1 18 . 1 1 35 35 ALA CB C 35 20.121 21.632 -1.511 17414 8382 1 18 . 1 1 36 36 LYS N N 36 121.159 117.966 3.193 17414 8383 1 18 . 1 1 36 36 LYS HA H 36 4.272 4.114 0.158 17414 8384 1 18 . 1 1 36 36 LYS CA C 36 58.723 58.750 -0.027 17414 8385 1 18 . 1 1 37 37 ASP N N 37 115.815 117.375 -1.560 17414 8386 1 18 . 1 1 37 37 ASP HA H 37 4.526 4.710 -0.184 17414 8387 1 18 . 1 1 37 37 ASP CA C 37 52.534 54.190 -1.656 17414 8388 1 18 . 1 1 37 37 ASP CB C 37 39.654 41.513 -1.859 17414 8389 1 18 . 1 1 38 38 GLY N N 38 107.649 107.834 -0.185 17414 8390 1 18 . 1 1 38 38 GLY CA C 38 45.025 46.004 -0.979 17414 8391 1 18 . 1 1 39 39 THR N N 39 110.428 112.471 -2.043 17414 8392 1 18 . 1 1 39 39 THR HA H 39 4.265 4.552 -0.287 17414 8393 1 18 . 1 1 39 39 THR CA C 39 60.883 60.056 0.827 17414 8394 1 18 . 1 1 39 39 THR CB C 39 70.144 70.182 -0.038 17414 8395 1 18 . 1 1 40 40 LEU N N 40 120.829 125.746 -4.917 17414 8396 1 18 . 1 1 40 40 LEU HA H 40 5.312 5.089 0.223 17414 8397 1 18 . 1 1 40 40 LEU CA C 40 53.146 54.176 -1.030 17414 8398 1 18 . 1 1 40 40 LEU CB C 40 41.870 42.966 -1.096 17414 8399 1 18 . 1 1 41 41 HIS N N 41 120.175 120.914 -0.739 17414 8400 1 18 . 1 1 41 41 HIS HA H 41 4.622 4.965 -0.343 17414 8401 1 18 . 1 1 41 41 HIS CA C 41 54.675 54.857 -0.182 17414 8402 1 18 . 1 1 41 41 HIS CB C 41 35.374 33.566 1.808 17414 8403 1 18 . 1 1 42 42 ALA N N 42 125.084 125.950 -0.866 17414 8404 1 18 . 1 1 42 42 ALA HA H 42 5.530 4.500 1.030 17414 8405 1 18 . 1 1 42 42 ALA CA C 42 50.934 52.557 -1.623 17414 8406 1 18 . 1 1 42 42 ALA CB C 42 18.920 19.578 -0.658 17414 8407 1 18 . 1 1 43 43 ARG N N 43 124.440 121.556 2.884 17414 8408 1 18 . 1 1 43 43 ARG HA H 43 5.177 4.889 0.288 17414 8409 1 18 . 1 1 43 43 ARG CA C 43 50.736 52.783 -2.047 17414 8410 1 18 . 1 1 43 43 ARG CB C 43 35.105 32.873 2.232 17414 8411 1 18 . 1 1 44 44 PRO HA H 44 4.506 4.082 0.424 17414 8412 1 18 . 1 1 44 44 PRO CA C 44 61.661 62.000 -0.339 17414 8413 1 18 . 1 1 44 44 PRO CB C 44 32.437 32.172 0.265 17414 8414 1 18 . 1 1 45 45 VAL N N 45 119.113 121.007 -1.894 17414 8415 1 18 . 1 1 45 45 VAL HA H 45 4.195 4.491 -0.296 17414 8416 1 18 . 1 1 45 45 VAL CA C 45 61.770 60.655 1.115 17414 8417 1 18 . 1 1 45 45 VAL CB C 45 32.099 34.539 -2.440 17414 8418 1 18 . 1 1 46 46 VAL N N 46 114.811 119.369 -4.558 17414 8419 1 18 . 1 1 46 46 VAL HA H 46 4.117 4.053 0.064 17414 8420 1 18 . 1 1 46 46 VAL CA C 46 59.689 61.686 -1.997 17414 8421 1 18 . 1 1 46 46 VAL CB C 46 33.207 31.944 1.263 17414 8422 1 18 . 1 1 47 47 SER N N 47 113.271 118.270 -4.999 17414 8423 1 18 . 1 1 47 47 SER HA H 47 3.992 3.856 0.136 17414 8424 1 18 . 1 1 47 47 SER CA C 47 56.916 59.726 -2.810 17414 8425 1 18 . 1 1 47 47 SER CB C 47 65.285 63.462 1.823 17414 8426 1 18 . 1 1 48 48 TRP N N 48 120.998 128.194 -7.196 17414 8427 1 18 . 1 1 48 48 TRP HA H 48 4.518 5.300 -0.782 17414 8428 1 18 . 1 1 48 48 TRP CA C 48 58.275 55.379 2.896 17414 8429 1 18 . 1 1 48 48 TRP CB C 48 32.474 30.681 1.793 17414 8430 1 18 . 1 1 49 49 PHE N N 49 120.098 122.513 -2.415 17414 8431 1 18 . 1 1 49 49 PHE HA H 49 5.159 5.081 0.078 17414 8432 1 18 . 1 1 49 49 PHE CA C 49 55.741 56.273 -0.532 17414 8433 1 18 . 1 1 49 49 PHE CB C 49 40.992 43.421 -2.429 17414 8434 1 18 . 1 1 50 50 ASP N N 50 127.259 121.697 5.562 17414 8435 1 18 . 1 1 50 50 ASP HA H 50 4.829 5.642 -0.813 17414 8436 1 18 . 1 1 50 50 ASP CA C 50 53.464 53.127 0.337 17414 8437 1 18 . 1 1 50 50 ASP CB C 50 40.713 42.013 -1.300 17414 8438 1 18 . 1 1 51 51 GLN N N 51 123.758 121.111 2.647 17414 8439 1 18 . 1 1 51 51 GLN HA H 51 4.902 4.555 0.347 17414 8440 1 18 . 1 1 51 51 GLN CA C 51 55.613 55.517 0.096 17414 8441 1 18 . 1 1 52 52 GLY N N 52 108.682 107.638 1.044 17414 8442 1 18 . 1 1 52 52 GLY CA C 52 44.063 44.366 -0.303 17414 8443 1 18 . 1 1 53 53 THR N N 53 118.925 115.870 3.055 17414 8444 1 18 . 1 1 53 53 THR HA H 53 4.734 4.834 -0.100 17414 8445 1 18 . 1 1 53 53 THR CA C 53 62.734 62.956 -0.222 17414 8446 1 18 . 1 1 53 53 THR CB C 53 67.881 69.716 -1.835 17414 8447 1 18 . 1 1 54 54 ARG N N 54 125.981 124.250 1.731 17414 8448 1 18 . 1 1 54 54 ARG HA H 54 4.677 4.915 -0.238 17414 8449 1 18 . 1 1 54 54 ARG CA C 54 53.580 53.921 -0.341 17414 8450 1 18 . 1 1 54 54 ARG CB C 54 35.619 34.513 1.106 17414 8451 1 18 . 1 1 55 55 ASP N N 55 119.621 120.797 -1.176 17414 8452 1 18 . 1 1 55 55 ASP HA H 55 4.973 5.254 -0.281 17414 8453 1 18 . 1 1 55 55 ASP CA C 55 54.236 54.749 -0.513 17414 8454 1 18 . 1 1 55 55 ASP CB C 55 40.704 41.049 -0.345 17414 8455 1 18 . 1 1 56 56 VAL N N 56 114.565 118.190 -3.625 17414 8456 1 18 . 1 1 56 56 VAL HA H 56 4.804 4.976 -0.172 17414 8457 1 18 . 1 1 56 56 VAL CA C 56 58.672 59.156 -0.484 17414 8458 1 18 . 1 1 56 56 VAL CB C 56 34.813 35.910 -1.097 17414 8459 1 18 . 1 1 57 57 ILE N N 57 114.855 121.874 -7.019 17414 8460 1 18 . 1 1 57 57 ILE HA H 57 4.740 5.053 -0.313 17414 8461 1 18 . 1 1 57 57 ILE CA C 57 58.799 59.422 -0.623 17414 8462 1 18 . 1 1 57 57 ILE CB C 57 41.197 40.190 1.007 17414 8463 1 18 . 1 1 58 58 GLY N N 58 107.378 109.576 -2.198 17414 8464 1 18 . 1 1 58 58 GLY CA C 58 43.036 43.564 -0.528 17414 8465 1 18 . 1 1 59 59 LEU N N 59 124.061 125.285 -1.224 17414 8466 1 18 . 1 1 59 59 LEU HA H 59 4.677 4.798 -0.121 17414 8467 1 18 . 1 1 59 59 LEU CA C 59 52.282 53.583 -1.301 17414 8468 1 18 . 1 1 59 59 LEU CB C 59 42.668 43.027 -0.359 17414 8469 1 18 . 1 1 60 60 ARG N N 60 124.178 125.020 -0.842 17414 8470 1 18 . 1 1 60 60 ARG HA H 60 4.799 4.706 0.093 17414 8471 1 18 . 1 1 61 61 ILE N N 61 128.222 127.833 0.389 17414 8472 1 18 . 1 1 61 61 ILE HA H 61 4.492 4.533 -0.041 17414 8473 1 18 . 1 1 61 61 ILE CA C 61 58.741 60.072 -1.331 17414 8474 1 18 . 1 1 61 61 ILE CB C 61 37.622 38.681 -1.059 17414 8475 1 18 . 1 1 62 62 ALA N N 62 128.005 131.896 -3.891 17414 8476 1 18 . 1 1 62 62 ALA HA H 62 4.108 4.001 0.107 17414 8477 1 18 . 1 1 62 62 ALA CA C 62 54.129 53.376 0.753 17414 8478 1 18 . 1 1 62 62 ALA CB C 62 18.002 17.931 0.071 17414 8479 1 18 . 1 1 63 63 GLY CA C 63 44.912 45.493 -0.581 17414 8480 1 18 . 1 1 64 64 GLY N N 64 107.906 108.416 -0.510 17414 8481 1 18 . 1 1 64 64 GLY CA C 64 44.751 46.417 -1.666 17414 8482 1 18 . 1 1 65 65 ALA N N 65 125.759 123.501 2.258 17414 8483 1 18 . 1 1 65 65 ALA HA H 65 4.394 4.704 -0.310 17414 8484 1 18 . 1 1 65 65 ALA CA C 65 51.764 51.344 0.420 17414 8485 1 18 . 1 1 65 65 ALA CB C 65 19.458 21.571 -2.113 17414 8486 1 18 . 1 1 66 66 ILE N N 66 118.136 119.429 -1.293 17414 8487 1 18 . 1 1 66 66 ILE HA H 66 4.705 4.935 -0.230 17414 8488 1 18 . 1 1 66 66 ILE CA C 66 59.670 59.374 0.296 17414 8489 1 18 . 1 1 66 66 ILE CB C 66 40.415 42.399 -1.984 17414 8490 1 18 . 1 1 67 67 LEU N N 67 127.715 128.094 -0.379 17414 8491 1 18 . 1 1 67 67 LEU HA H 67 4.728 5.069 -0.341 17414 8492 1 18 . 1 1 67 67 LEU CA C 67 53.331 53.288 0.043 17414 8493 1 18 . 1 1 67 67 LEU CB C 67 44.102 45.586 -1.484 17414 8494 1 18 . 1 1 68 68 TRP N N 68 129.332 128.326 1.006 17414 8495 1 18 . 1 1 68 68 TRP HA H 68 5.672 5.426 0.246 17414 8496 1 18 . 1 1 68 68 TRP CA C 68 54.812 56.139 -1.327 17414 8497 1 18 . 1 1 68 68 TRP CB C 68 29.742 31.307 -1.565 17414 8498 1 18 . 1 1 69 69 ALA N N 69 124.233 123.035 1.198 17414 8499 1 18 . 1 1 69 69 ALA HA H 69 5.243 4.991 0.252 17414 8500 1 18 . 1 1 69 69 ALA CA C 69 49.203 51.340 -2.137 17414 8501 1 18 . 1 1 69 69 ALA CB C 69 22.138 23.376 -1.238 17414 8502 1 18 . 1 1 70 70 THR N N 70 111.459 110.791 0.668 17414 8503 1 18 . 1 1 70 70 THR HA H 70 5.152 4.895 0.257 17414 8504 1 18 . 1 1 70 70 THR CA C 70 60.495 60.320 0.175 17414 8505 1 18 . 1 1 70 70 THR CB C 70 67.570 69.000 -1.430 17414 8506 1 18 . 1 1 71 71 PRO HA H 71 4.165 4.551 -0.386 17414 8507 1 18 . 1 1 71 71 PRO CA C 71 64.390 64.902 -0.512 17414 8508 1 18 . 1 1 72 72 ASP N N 72 112.234 116.442 -4.208 17414 8509 1 18 . 1 1 72 72 ASP HA H 72 4.505 4.742 -0.237 17414 8510 1 18 . 1 1 72 72 ASP CA C 72 52.827 54.811 -1.984 17414 8511 1 18 . 1 1 73 73 HIS N N 73 125.389 119.892 5.497 17414 8512 1 18 . 1 1 73 73 HIS HA H 73 3.796 4.526 -0.730 17414 8513 1 18 . 1 1 73 73 HIS CA C 73 58.310 56.765 1.545 17414 8514 1 18 . 1 1 73 73 HIS CB C 73 32.385 30.509 1.876 17414 8515 1 18 . 1 1 74 74 LYS N N 74 127.412 125.300 2.112 17414 8516 1 18 . 1 1 74 74 LYS HA H 74 4.661 4.497 0.164 17414 8517 1 18 . 1 1 74 74 LYS CA C 74 56.845 55.363 1.482 17414 8518 1 18 . 1 1 75 75 VAL N N 75 125.726 123.914 1.812 17414 8519 1 18 . 1 1 75 75 VAL HA H 75 4.754 4.704 0.050 17414 8520 1 18 . 1 1 75 75 VAL CA C 75 60.739 61.101 -0.362 17414 8521 1 18 . 1 1 75 75 VAL CB C 75 35.276 34.210 1.066 17414 8522 1 18 . 1 1 76 76 LEU N N 76 129.759 129.889 -0.130 17414 8523 1 18 . 1 1 76 76 LEU HA H 76 3.514 4.191 -0.677 17414 8524 1 18 . 1 1 76 76 LEU CA C 76 55.222 54.331 0.891 17414 8525 1 18 . 1 1 76 76 LEU CB C 76 39.052 41.943 -2.891 17414 8526 1 18 . 1 1 77 77 THR N N 77 116.138 116.914 -0.776 17414 8527 1 18 . 1 1 77 77 THR HA H 77 5.295 4.782 0.513 17414 8528 1 18 . 1 1 77 77 THR CA C 77 59.543 60.192 -0.649 17414 8529 1 18 . 1 1 78 78 GLU N N 78 119.986 119.454 0.532 17414 8530 1 18 . 1 1 78 78 GLU HA H 78 3.558 3.773 -0.215 17414 8531 1 18 . 1 1 78 78 GLU CA C 78 57.551 58.060 -0.509 17414 8532 1 18 . 1 1 78 78 GLU CB C 78 28.385 28.383 0.002 17414 8533 1 18 . 1 1 79 79 TYR N N 79 117.251 118.219 -0.968 17414 8534 1 18 . 1 1 79 79 TYR HA H 79 4.749 4.541 0.208 17414 8535 1 18 . 1 1 79 79 TYR CA C 79 55.553 58.052 -2.499 17414 8536 1 18 . 1 1 79 79 TYR CB C 79 37.935 38.962 -1.027 17414 8537 1 18 . 1 1 80 80 GLY N N 80 106.884 107.309 -0.425 17414 8538 1 18 . 1 1 80 80 GLY CA C 80 42.757 44.576 -1.819 17414 8539 1 18 . 1 1 81 81 TRP N N 81 125.593 123.005 2.588 17414 8540 1 18 . 1 1 81 81 TRP HA H 81 4.884 5.117 -0.233 17414 8541 1 18 . 1 1 81 81 TRP CA C 81 57.790 57.371 0.419 17414 8542 1 18 . 1 1 81 81 TRP CB C 81 29.255 30.705 -1.450 17414 8543 1 18 . 1 1 82 82 ARG N N 82 124.625 122.270 2.355 17414 8544 1 18 . 1 1 82 82 ARG HA H 82 4.773 4.981 -0.208 17414 8545 1 18 . 1 1 82 82 ARG CA C 82 53.895 54.004 -0.109 17414 8546 1 18 . 1 1 83 83 ALA N N 83 125.891 127.175 -1.284 17414 8547 1 18 . 1 1 83 83 ALA HA H 83 4.293 4.262 0.031 17414 8548 1 18 . 1 1 83 83 ALA CA C 83 51.686 52.478 -0.792 17414 8549 1 18 . 1 1 84 84 ALA N N 84 125.790 126.133 -0.343 17414 8550 1 18 . 1 1 84 84 ALA HA H 84 3.930 3.987 -0.057 17414 8551 1 18 . 1 1 84 84 ALA CB C 84 17.269 18.536 -1.267 17414 8552 1 18 . 1 1 85 85 GLY N N 85 102.306 105.378 -3.072 17414 8553 1 18 . 1 1 86 86 GLU N N 86 117.564 118.225 -0.661 17414 8554 1 18 . 1 1 86 86 GLU HA H 86 4.414 4.496 -0.082 17414 8555 1 18 . 1 1 86 86 GLU CA C 86 55.233 55.607 -0.374 17414 8556 1 18 . 1 1 86 86 GLU CB C 86 30.231 29.686 0.545 17414 8557 1 18 . 1 1 87 87 LEU N N 87 119.746 122.518 -2.772 17414 8558 1 18 . 1 1 87 87 LEU HA H 87 4.417 4.855 -0.438 17414 8559 1 18 . 1 1 87 87 LEU CA C 87 54.274 53.230 1.044 17414 8560 1 18 . 1 1 87 87 LEU CB C 87 41.471 43.715 -2.244 17414 8561 1 18 . 1 1 88 88 ARG N N 88 120.899 122.741 -1.842 17414 8562 1 18 . 1 1 88 88 ARG HA H 88 4.627 4.897 -0.270 17414 8563 1 18 . 1 1 88 88 ARG CA C 88 52.594 53.777 -1.183 17414 8564 1 18 . 1 1 89 89 LYS N N 89 119.795 124.095 -4.300 17414 8565 1 18 . 1 1 89 89 LYS HA H 89 3.669 4.008 -0.339 17414 8566 1 18 . 1 1 89 89 LYS CA C 89 57.770 58.009 -0.239 17414 8567 1 18 . 1 1 90 90 GLY N N 90 115.070 112.974 2.096 17414 8568 1 18 . 1 1 90 90 GLY CA C 90 44.499 45.345 -0.846 17414 8569 1 18 . 1 1 91 91 ASP N N 91 121.652 122.084 -0.432 17414 8570 1 18 . 1 1 91 91 ASP HA H 91 4.716 4.872 -0.156 17414 8571 1 18 . 1 1 91 91 ASP CA C 91 55.866 53.710 2.156 17414 8572 1 18 . 1 1 92 92 ARG N N 92 117.826 125.728 -7.902 17414 8573 1 18 . 1 1 92 92 ARG HA H 92 5.241 4.988 0.253 17414 8574 1 18 . 1 1 92 92 ARG CA C 92 54.976 55.836 -0.860 17414 8575 1 18 . 1 1 92 92 ARG CB C 92 31.655 31.445 0.210 17414 8576 1 18 . 1 1 93 93 VAL N N 93 115.034 118.190 -3.156 17414 8577 1 18 . 1 1 93 93 VAL HA H 93 4.839 4.946 -0.107 17414 8578 1 18 . 1 1 93 93 VAL CA C 93 58.222 59.363 -1.141 17414 8579 1 18 . 1 1 94 94 ALA N N 94 126.192 124.779 1.413 17414 8580 1 18 . 1 1 94 94 ALA HA H 94 4.271 4.088 0.183 17414 8581 1 18 . 1 1 94 94 ALA CA C 94 50.975 51.808 -0.833 17414 8582 1 18 . 1 1 94 94 ALA CB C 94 18.748 18.892 -0.144 17414 8583 1 18 . 1 1 95 95 VAL N N 95 115.179 116.500 -1.321 17414 8584 1 18 . 1 1 95 95 VAL HA H 95 5.317 4.956 0.361 17414 8585 1 18 . 1 1 95 95 VAL CA C 95 57.154 58.819 -1.665 17414 8586 1 18 . 1 1 95 95 VAL CB C 95 35.186 35.559 -0.373 17414 8587 1 18 . 1 1 96 96 ARG N N 96 119.288 122.278 -2.990 17414 8588 1 18 . 1 1 96 96 ARG HA H 96 4.230 4.918 -0.688 17414 8589 1 18 . 1 1 96 96 ARG CA C 96 53.613 54.332 -0.719 17414 8590 1 18 . 1 1 96 96 ARG CB C 96 31.697 32.952 -1.255 17414 8591 1 18 . 1 1 97 97 ASP N N 97 131.180 125.913 5.267 17414 8592 1 18 . 1 1 97 97 ASP HA H 97 4.415 4.814 -0.399 17414 8593 1 18 . 1 1 97 97 ASP CA C 97 53.887 52.951 0.936 17414 8594 1 18 . 1 1 97 97 ASP CB C 97 42.723 42.211 0.512 17414 8595 1 18 . 1 1 98 98 VAL N N 98 126.152 126.217 -0.065 17414 8596 1 18 . 1 1 98 98 VAL HA H 98 3.489 3.905 -0.416 17414 8597 1 18 . 1 1 98 98 VAL CA C 98 64.431 64.331 0.100 17414 8598 1 18 . 1 1 98 98 VAL CB C 98 31.047 31.816 -0.769 17414 8599 1 18 . 1 1 99 99 GLU N N 99 118.883 121.530 -2.647 17414 8600 1 18 . 1 1 99 99 GLU HA H 99 4.127 4.087 0.040 17414 8601 1 18 . 1 1 99 99 GLU CA C 99 58.178 59.093 -0.915 17414 8602 1 18 . 1 1 99 99 GLU CB C 99 29.591 29.907 -0.316 17414 8603 1 18 . 1 1 100 100 THR N N 100 106.301 107.936 -1.635 17414 8604 1 18 . 1 1 100 100 THR HA H 100 4.316 4.429 -0.113 17414 8605 1 18 . 1 1 100 100 THR CA C 100 61.407 62.117 -0.710 17414 8606 1 18 . 1 1 100 100 THR CB C 100 70.856 70.665 0.191 17414 8607 1 18 . 1 1 101 101 GLY N N 101 111.204 111.909 -0.705 17414 8608 1 18 . 1 1 101 101 GLY CA C 101 45.284 45.654 -0.370 17414 8609 1 18 . 1 1 102 102 GLU N N 102 118.458 120.290 -1.832 17414 8610 1 18 . 1 1 102 102 GLU HA H 102 4.301 4.490 -0.189 17414 8611 1 18 . 1 1 102 102 GLU CA C 102 55.160 55.699 -0.539 17414 8612 1 18 . 1 1 102 102 GLU CB C 102 31.769 31.049 0.720 17414 8613 1 18 . 1 1 103 103 LEU N N 103 121.701 121.947 -0.246 17414 8614 1 18 . 1 1 103 103 LEU HA H 103 4.716 4.374 0.342 17414 8615 1 18 . 1 1 103 103 LEU CA C 103 54.930 54.219 0.711 17414 8616 1 18 . 1 1 103 103 LEU CB C 103 42.346 42.503 -0.157 17414 8617 1 18 . 1 1 104 104 ARG N N 104 127.157 122.873 4.284 17414 8618 1 18 . 1 1 104 104 ARG HA H 104 4.403 4.819 -0.416 17414 8619 1 18 . 1 1 104 104 ARG CA C 104 53.201 53.669 -0.468 17414 8620 1 18 . 1 1 104 104 ARG CB C 104 32.989 34.387 -1.398 17414 8621 1 18 . 1 1 105 105 TYR N N 105 116.202 117.462 -1.260 17414 8622 1 18 . 1 1 105 105 TYR HA H 105 5.490 5.459 0.031 17414 8623 1 18 . 1 1 105 105 TYR CA C 105 56.831 56.784 0.047 17414 8624 1 18 . 1 1 105 105 TYR CB C 105 40.116 42.758 -2.642 17414 8625 1 18 . 1 1 106 106 SER N N 106 118.250 115.696 2.554 17414 8626 1 18 . 1 1 106 106 SER HA H 106 4.807 5.116 -0.309 17414 8627 1 18 . 1 1 106 106 SER CA C 106 55.888 57.433 -1.545 17414 8628 1 18 . 1 1 106 106 SER CB C 106 66.301 66.842 -0.541 17414 8629 1 18 . 1 1 107 107 VAL N N 107 122.160 117.906 4.254 17414 8630 1 18 . 1 1 107 107 VAL HA H 107 4.423 4.535 -0.112 17414 8631 1 18 . 1 1 107 107 VAL CA C 107 61.369 61.012 0.357 17414 8632 1 18 . 1 1 107 107 VAL CB C 107 33.633 33.269 0.364 17414 8633 1 18 . 1 1 108 108 ILE N N 108 123.427 124.406 -0.979 17414 8634 1 18 . 1 1 108 108 ILE HA H 108 4.100 4.239 -0.139 17414 8635 1 18 . 1 1 108 108 ILE CA C 108 61.321 61.388 -0.067 17414 8636 1 18 . 1 1 108 108 ILE CB C 108 37.408 38.195 -0.787 17414 8637 1 18 . 1 1 109 109 ARG N N 109 130.207 126.472 3.735 17414 8638 1 18 . 1 1 109 109 ARG HA H 109 4.254 4.456 -0.202 17414 8639 1 18 . 1 1 109 109 ARG CA C 109 55.904 57.095 -1.191 17414 8640 1 18 . 1 1 110 110 GLU N N 110 116.804 117.807 -1.003 17414 8641 1 18 . 1 1 110 110 GLU HA H 110 4.274 4.681 -0.407 17414 8642 1 18 . 1 1 110 110 GLU CA C 110 55.889 56.150 -0.261 17414 8643 1 18 . 1 1 110 110 GLU CB C 110 33.186 33.585 -0.399 17414 8644 1 18 . 1 1 111 111 VAL N N 111 125.709 127.372 -1.663 17414 8645 1 18 . 1 1 111 111 VAL HA H 111 4.709 4.511 0.198 17414 8646 1 18 . 1 1 111 111 VAL CA C 111 60.903 61.808 -0.905 17414 8647 1 18 . 1 1 111 111 VAL CB C 111 31.927 32.993 -1.066 17414 8648 1 18 . 1 1 112 112 LEU N N 112 132.638 129.081 3.557 17414 8649 1 18 . 1 1 112 112 LEU HA H 112 4.741 4.850 -0.109 17414 8650 1 18 . 1 1 112 112 LEU CA C 112 52.655 51.067 1.588 17414 8651 1 18 . 1 1 112 112 LEU CB C 112 40.998 42.667 -1.669 17414 8652 1 18 . 1 1 113 113 PRO HA H 113 4.532 4.575 -0.043 17414 8653 1 18 . 1 1 113 113 PRO CA C 113 61.916 62.674 -0.758 17414 8654 1 18 . 1 1 113 113 PRO CB C 113 32.608 32.316 0.292 17414 8655 1 18 . 1 1 114 114 THR N N 114 112.542 113.177 -0.635 17414 8656 1 18 . 1 1 114 114 THR HA H 114 4.973 4.496 0.477 17414 8657 1 18 . 1 1 114 114 THR CA C 114 61.865 61.642 0.223 17414 8658 1 18 . 1 1 114 114 THR CB C 114 69.345 70.094 -0.749 17414 8659 1 18 . 1 1 115 115 ARG N N 115 123.213 120.776 2.437 17414 8660 1 18 . 1 1 115 115 ARG HA H 115 4.694 4.946 -0.252 17414 8661 1 18 . 1 1 115 115 ARG CA C 115 54.302 54.461 -0.159 17414 8662 1 18 . 1 1 115 115 ARG CB C 115 32.684 32.985 -0.301 17414 8663 1 18 . 1 1 116 116 ARG N N 116 119.004 120.203 -1.199 17414 8664 1 18 . 1 1 116 116 ARG HA H 116 4.879 4.961 -0.082 17414 8665 1 18 . 1 1 116 116 ARG CA C 116 54.554 55.614 -1.060 17414 8666 1 18 . 1 1 116 116 ARG CB C 116 30.285 33.725 -3.440 17414 8667 1 18 . 1 1 117 117 ALA N N 117 124.834 126.186 -1.352 17414 8668 1 18 . 1 1 117 117 ALA HA H 117 4.599 4.739 -0.140 17414 8669 1 18 . 1 1 117 117 ALA CA C 117 50.434 51.013 -0.579 17414 8670 1 18 . 1 1 117 117 ALA CB C 117 23.139 22.738 0.401 17414 8671 1 18 . 1 1 118 118 ARG N N 118 120.885 119.094 1.791 17414 8672 1 18 . 1 1 118 118 ARG HA H 118 3.925 4.417 -0.492 17414 8673 1 18 . 1 1 118 118 ARG CA C 118 57.559 56.810 0.749 17414 8674 1 18 . 1 1 118 118 ARG CB C 118 30.409 30.875 -0.466 17414 8675 1 18 . 1 1 119 119 THR N N 119 111.492 113.049 -1.557 17414 8676 1 18 . 1 1 119 119 THR HA H 119 5.309 5.311 -0.002 17414 8677 1 18 . 1 1 119 119 THR CA C 119 60.071 59.293 0.778 17414 8678 1 18 . 1 1 119 119 THR CB C 119 72.737 71.851 0.886 17414 8679 1 18 . 1 1 120 120 PHE N N 120 113.949 119.457 -5.508 17414 8680 1 18 . 1 1 120 120 PHE HA H 120 5.311 5.495 -0.184 17414 8681 1 18 . 1 1 120 120 PHE CA C 120 57.898 56.126 1.772 17414 8682 1 18 . 1 1 120 120 PHE CB C 120 46.203 43.691 2.512 17414 8683 1 18 . 1 1 121 121 ASP N N 121 118.841 119.284 -0.443 17414 8684 1 18 . 1 1 121 121 ASP HA H 121 5.352 5.508 -0.156 17414 8685 1 18 . 1 1 121 121 ASP CA C 121 55.227 53.139 2.088 17414 8686 1 18 . 1 1 121 121 ASP CB C 121 47.673 44.167 3.506 17414 8687 1 18 . 1 1 122 122 LEU N N 122 118.637 125.029 -6.392 17414 8688 1 18 . 1 1 122 122 LEU HA H 122 4.809 5.382 -0.573 17414 8689 1 18 . 1 1 122 122 LEU CB C 122 45.915 45.122 0.793 17414 8690 1 18 . 1 1 123 123 GLU N N 123 118.694 124.961 -6.267 17414 8691 1 18 . 1 1 123 123 GLU HA H 123 4.515 4.661 -0.146 17414 8692 1 18 . 1 1 123 123 GLU CA C 123 54.697 55.658 -0.961 17414 8693 1 18 . 1 1 124 124 VAL N N 124 129.259 128.179 1.080 17414 8694 1 18 . 1 1 124 124 VAL HA H 124 4.065 4.005 0.060 17414 8695 1 18 . 1 1 124 124 VAL CA C 124 61.193 62.634 -1.441 17414 8696 1 18 . 1 1 124 124 VAL CB C 124 33.607 31.022 2.585 17414 8697 1 18 . 1 1 125 125 GLU N N 125 128.432 128.288 0.144 17414 8698 1 18 . 1 1 125 125 GLU HA H 125 3.672 4.101 -0.429 17414 8699 1 18 . 1 1 125 125 GLU CA C 125 58.494 59.857 -1.363 17414 8700 1 18 . 1 1 125 125 GLU CB C 125 30.552 29.333 1.219 17414 8701 1 18 . 1 1 126 126 GLU N N 126 120.993 121.474 -0.481 17414 8702 1 18 . 1 1 126 126 GLU HA H 126 3.570 4.325 -0.755 17414 8703 1 18 . 1 1 126 126 GLU CA C 126 61.229 57.139 4.090 17414 8704 1 18 . 1 1 126 126 GLU CB C 126 29.621 31.991 -2.370 17414 8705 1 18 . 1 1 127 127 LEU N N 127 120.945 119.578 1.367 17414 8706 1 18 . 1 1 127 127 LEU HA H 127 4.205 4.383 -0.178 17414 8707 1 18 . 1 1 127 127 LEU CA C 127 55.681 53.856 1.825 17414 8708 1 18 . 1 1 128 128 HIS HA H 128 4.584 4.339 0.245 17414 8709 1 18 . 1 1 128 128 HIS CA C 128 54.566 57.480 -2.914 17414 8710 1 18 . 1 1 128 128 HIS CB C 128 26.062 29.518 -3.456 17414 8711 1 18 . 1 1 129 129 THR N N 129 105.639 114.864 -9.225 17414 8712 1 18 . 1 1 129 129 THR HA H 129 4.899 4.883 0.016 17414 8713 1 18 . 1 1 129 129 THR CA C 129 58.380 61.208 -2.828 17414 8714 1 18 . 1 1 129 129 THR CB C 129 72.980 71.016 1.964 17414 8715 1 18 . 1 1 130 130 LEU N N 130 111.598 120.815 -9.217 17414 8716 1 18 . 1 1 130 130 LEU HA H 130 5.537 5.237 0.300 17414 8717 1 18 . 1 1 130 130 LEU CA C 130 54.683 53.776 0.907 17414 8718 1 18 . 1 1 130 130 LEU CB C 130 44.277 45.075 -0.798 17414 8719 1 18 . 1 1 131 131 VAL N N 131 119.670 120.970 -1.300 17414 8720 1 18 . 1 1 131 131 VAL HA H 131 4.830 4.779 0.051 17414 8721 1 18 . 1 1 131 131 VAL CA C 131 61.285 60.775 0.510 17414 8722 1 18 . 1 1 131 131 VAL CB C 131 30.272 33.068 -2.796 17414 8723 1 18 . 1 1 132 132 ALA N N 132 134.824 129.777 5.047 17414 8724 1 18 . 1 1 132 132 ALA HA H 132 4.931 4.878 0.053 17414 8725 1 18 . 1 1 132 132 ALA CA C 132 49.999 50.644 -0.645 17414 8726 1 18 . 1 1 132 132 ALA CB C 132 21.422 21.345 0.077 17414 8727 1 18 . 1 1 133 133 GLU N N 133 118.979 124.899 -5.920 17414 8728 1 18 . 1 1 133 133 GLU HA H 133 3.826 4.075 -0.249 17414 8729 1 18 . 1 1 133 133 GLU CA C 133 57.065 57.697 -0.632 17414 8730 1 18 . 1 1 133 133 GLU CB C 133 26.406 28.302 -1.896 17414 8731 1 18 . 1 1 134 134 GLY N N 134 100.017 104.373 -4.356 17414 8732 1 18 . 1 1 134 134 GLY CA C 134 45.352 45.448 -0.096 17414 8733 1 18 . 1 1 135 135 VAL N N 135 122.381 121.508 0.873 17414 8734 1 18 . 1 1 135 135 VAL HA H 135 4.560 4.120 0.440 17414 8735 1 18 . 1 1 135 135 VAL CA C 135 60.885 62.065 -1.180 17414 8736 1 18 . 1 1 135 135 VAL CB C 135 32.542 32.733 -0.191 17414 8737 1 18 . 1 1 136 136 VAL N N 136 126.302 126.486 -0.184 17414 8738 1 18 . 1 1 136 136 VAL HA H 136 4.254 4.830 -0.576 17414 8739 1 18 . 1 1 136 136 VAL CA C 136 63.608 61.572 2.036 17414 8740 1 18 . 1 1 136 136 VAL CB C 136 30.519 32.816 -2.297 17414 8741 1 18 . 1 1 137 137 VAL N N 137 118.757 120.588 -1.831 17414 8742 1 18 . 1 1 137 137 VAL HA H 137 5.743 5.164 0.579 17414 8743 1 18 . 1 1 137 137 VAL CA C 137 58.252 59.807 -1.555 17414 8744 1 18 . 1 1 137 137 VAL CB C 137 36.378 36.011 0.367 17414 8745 1 18 . 1 1 138 138 HIS N N 138 120.902 124.080 -3.178 17414 8746 1 18 . 1 1 138 138 HIS HA H 138 4.434 4.389 0.045 17414 8747 1 18 . 1 1 138 138 HIS CA C 138 56.439 57.652 -1.213 17414 8748 1 18 . 1 1 138 138 HIS CB C 138 30.583 30.259 0.324 17414 8749 1 19 . 1 1 2 2 LEU N N 2 122.945 122.078 0.867 17414 8750 1 19 . 1 1 2 2 LEU HA H 2 5.005 5.115 -0.110 17414 8751 1 19 . 1 1 2 2 LEU CA C 2 53.355 53.463 -0.108 17414 8752 1 19 . 1 1 2 2 LEU CB C 2 43.858 44.989 -1.131 17414 8753 1 19 . 1 1 3 3 ALA N N 3 121.232 127.455 -6.223 17414 8754 1 19 . 1 1 3 3 ALA HA H 3 4.730 4.668 0.062 17414 8755 1 19 . 1 1 3 3 ALA CA C 3 52.302 51.694 0.608 17414 8756 1 19 . 1 1 3 3 ALA CB C 3 21.769 19.696 2.073 17414 8757 1 19 . 1 1 4 4 GLU N N 4 121.283 121.774 -0.491 17414 8758 1 19 . 1 1 4 4 GLU HA H 4 4.074 4.148 -0.074 17414 8759 1 19 . 1 1 4 4 GLU CA C 4 57.136 58.447 -1.311 17414 8760 1 19 . 1 1 4 4 GLU CB C 4 31.847 29.624 2.223 17414 8761 1 19 . 1 1 5 5 GLY N N 5 119.858 115.151 4.707 17414 8762 1 19 . 1 1 5 5 GLY CA C 5 44.157 45.200 -1.043 17414 8763 1 19 . 1 1 6 6 THR N N 6 117.099 116.814 0.285 17414 8764 1 19 . 1 1 6 6 THR HA H 6 4.301 4.230 0.071 17414 8765 1 19 . 1 1 6 6 THR CA C 6 65.228 63.834 1.394 17414 8766 1 19 . 1 1 6 6 THR CB C 6 68.654 69.146 -0.492 17414 8767 1 19 . 1 1 7 7 ARG N N 7 130.107 127.195 2.912 17414 8768 1 19 . 1 1 7 7 ARG HA H 7 4.878 4.815 0.063 17414 8769 1 19 . 1 1 7 7 ARG CA C 7 55.868 55.802 0.066 17414 8770 1 19 . 1 1 8 8 ILE N N 8 123.872 124.975 -1.103 17414 8771 1 19 . 1 1 8 8 ILE HA H 8 4.531 4.738 -0.207 17414 8772 1 19 . 1 1 8 8 ILE CA C 8 59.240 60.082 -0.842 17414 8773 1 19 . 1 1 8 8 ILE CB C 8 40.450 38.791 1.659 17414 8774 1 19 . 1 1 9 9 PHE N N 9 129.317 129.150 0.167 17414 8775 1 19 . 1 1 9 9 PHE HA H 9 4.832 4.880 -0.048 17414 8776 1 19 . 1 1 9 9 PHE CA C 9 56.960 58.026 -1.066 17414 8777 1 19 . 1 1 9 9 PHE CB C 9 40.542 39.907 0.635 17414 8778 1 19 . 1 1 10 10 ASP N N 10 128.073 127.771 0.302 17414 8779 1 19 . 1 1 10 10 ASP HA H 10 5.529 5.088 0.441 17414 8780 1 19 . 1 1 10 10 ASP CA C 10 49.160 49.191 -0.031 17414 8781 1 19 . 1 1 10 10 ASP CB C 10 43.037 41.920 1.117 17414 8782 1 19 . 1 1 11 11 PRO HA H 11 3.974 4.552 -0.578 17414 8783 1 19 . 1 1 11 11 PRO CA C 11 62.348 65.444 -3.096 17414 8784 1 19 . 1 1 11 11 PRO CB C 11 30.977 32.100 -1.123 17414 8785 1 19 . 1 1 12 12 VAL N N 12 124.105 116.186 7.919 17414 8786 1 19 . 1 1 12 12 VAL HA H 12 3.591 3.726 -0.135 17414 8787 1 19 . 1 1 12 12 VAL CA C 12 64.849 65.941 -1.092 17414 8788 1 19 . 1 1 13 13 THR N N 13 107.133 109.425 -2.292 17414 8789 1 19 . 1 1 13 13 THR HA H 13 4.228 4.235 -0.007 17414 8790 1 19 . 1 1 13 13 THR CA C 13 60.944 62.806 -1.862 17414 8791 1 19 . 1 1 13 13 THR CB C 13 69.447 70.297 -0.850 17414 8792 1 19 . 1 1 14 14 GLY N N 14 112.897 111.887 1.010 17414 8793 1 19 . 1 1 14 14 GLY CA C 14 45.650 45.655 -0.005 17414 8794 1 19 . 1 1 15 15 THR N N 15 117.286 114.506 2.780 17414 8795 1 19 . 1 1 15 15 THR HA H 15 4.276 4.573 -0.297 17414 8796 1 19 . 1 1 15 15 THR CA C 15 61.382 58.988 2.394 17414 8797 1 19 . 1 1 15 15 THR CB C 15 70.037 70.684 -0.647 17414 8798 1 19 . 1 1 16 16 THR N N 16 120.518 117.947 2.571 17414 8799 1 19 . 1 1 16 16 THR HA H 16 4.911 4.629 0.282 17414 8800 1 19 . 1 1 16 16 THR CA C 16 62.321 61.729 0.592 17414 8801 1 19 . 1 1 16 16 THR CB C 16 69.184 69.420 -0.236 17414 8802 1 19 . 1 1 17 17 HIS N N 17 127.011 125.718 1.293 17414 8803 1 19 . 1 1 17 17 HIS HA H 17 4.586 5.113 -0.527 17414 8804 1 19 . 1 1 17 17 HIS CA C 17 54.406 54.434 -0.028 17414 8805 1 19 . 1 1 17 17 HIS CB C 17 35.299 32.552 2.747 17414 8806 1 19 . 1 1 18 18 ARG N N 18 120.890 121.776 -0.886 17414 8807 1 19 . 1 1 18 18 ARG HA H 18 4.679 4.532 0.147 17414 8808 1 19 . 1 1 18 18 ARG CA C 18 54.802 54.892 -0.090 17414 8809 1 19 . 1 1 18 18 ARG CB C 18 29.657 31.827 -2.170 17414 8810 1 19 . 1 1 19 19 ILE N N 19 125.005 126.742 -1.737 17414 8811 1 19 . 1 1 19 19 ILE HA H 19 3.696 3.862 -0.166 17414 8812 1 19 . 1 1 19 19 ILE CA C 19 66.021 63.996 2.025 17414 8813 1 19 . 1 1 19 19 ILE CB C 19 37.936 37.802 0.134 17414 8814 1 19 . 1 1 20 20 GLU N N 20 123.813 119.299 4.514 17414 8815 1 19 . 1 1 20 20 GLU HA H 20 2.787 3.603 -0.816 17414 8816 1 19 . 1 1 20 20 GLU CA C 20 57.675 58.685 -1.010 17414 8817 1 19 . 1 1 20 20 GLU CB C 20 28.945 29.098 -0.153 17414 8818 1 19 . 1 1 21 21 ASP N N 21 123.330 120.802 2.528 17414 8819 1 19 . 1 1 21 21 ASP HA H 21 4.489 4.332 0.157 17414 8820 1 19 . 1 1 21 21 ASP CA C 21 55.734 56.638 -0.904 17414 8821 1 19 . 1 1 21 21 ASP CB C 21 40.038 40.639 -0.601 17414 8822 1 19 . 1 1 22 22 VAL N N 22 121.407 119.771 1.636 17414 8823 1 19 . 1 1 22 22 VAL HA H 22 3.303 3.464 -0.161 17414 8824 1 19 . 1 1 22 22 VAL CA C 22 65.768 66.445 -0.677 17414 8825 1 19 . 1 1 22 22 VAL CB C 22 31.327 31.469 -0.142 17414 8826 1 19 . 1 1 23 23 VAL N N 23 116.800 120.455 -3.655 17414 8827 1 19 . 1 1 23 23 VAL HA H 23 3.928 3.665 0.263 17414 8828 1 19 . 1 1 23 23 VAL CA C 23 66.310 66.255 0.055 17414 8829 1 19 . 1 1 24 24 GLY N N 24 120.577 108.294 12.283 17414 8830 1 19 . 1 1 25 25 GLY N N 25 103.034 108.157 -5.123 17414 8831 1 19 . 1 1 25 25 GLY CA C 25 43.755 44.730 -0.975 17414 8832 1 19 . 1 1 26 26 ARG N N 26 122.306 116.406 5.900 17414 8833 1 19 . 1 1 26 26 ARG HA H 26 1.544 3.211 -1.667 17414 8834 1 19 . 1 1 26 26 ARG CA C 26 55.119 56.222 -1.103 17414 8835 1 19 . 1 1 26 26 ARG CB C 26 26.620 27.364 -0.744 17414 8836 1 19 . 1 1 27 27 LYS N N 27 115.887 119.588 -3.701 17414 8837 1 19 . 1 1 27 27 LYS HA H 27 4.168 4.444 -0.276 17414 8838 1 19 . 1 1 27 27 LYS CB C 27 33.503 32.629 0.874 17414 8839 1 19 . 1 1 28 28 PRO HA H 28 5.145 4.649 0.496 17414 8840 1 19 . 1 1 28 28 PRO CA C 28 61.507 63.777 -2.270 17414 8841 1 19 . 1 1 28 28 PRO CB C 28 27.787 31.490 -3.703 17414 8842 1 19 . 1 1 29 29 ILE N N 29 116.657 118.697 -2.040 17414 8843 1 19 . 1 1 29 29 ILE HA H 29 4.443 4.239 0.204 17414 8844 1 19 . 1 1 29 29 ILE CA C 29 60.723 60.777 -0.054 17414 8845 1 19 . 1 1 29 29 ILE CB C 29 38.563 39.113 -0.550 17414 8846 1 19 . 1 1 30 30 HIS N N 30 118.274 119.425 -1.151 17414 8847 1 19 . 1 1 30 30 HIS HA H 30 5.152 5.338 -0.186 17414 8848 1 19 . 1 1 30 30 HIS CA C 30 55.902 54.166 1.736 17414 8849 1 19 . 1 1 30 30 HIS CB C 30 30.925 34.381 -3.456 17414 8850 1 19 . 1 1 31 31 VAL N N 31 107.262 115.747 -8.485 17414 8851 1 19 . 1 1 31 31 VAL HA H 31 5.212 4.923 0.289 17414 8852 1 19 . 1 1 31 31 VAL CA C 31 57.692 59.176 -1.484 17414 8853 1 19 . 1 1 31 31 VAL CB C 31 34.153 36.363 -2.210 17414 8854 1 19 . 1 1 32 32 VAL N N 32 119.900 122.752 -2.852 17414 8855 1 19 . 1 1 32 32 VAL HA H 32 4.246 4.519 -0.273 17414 8856 1 19 . 1 1 32 32 VAL CA C 32 62.504 62.424 0.080 17414 8857 1 19 . 1 1 33 33 ALA N N 33 128.967 130.313 -1.346 17414 8858 1 19 . 1 1 33 33 ALA HA H 33 4.522 5.449 -0.927 17414 8859 1 19 . 1 1 33 33 ALA CA C 33 49.594 50.448 -0.854 17414 8860 1 19 . 1 1 33 33 ALA CB C 33 23.635 22.516 1.119 17414 8861 1 19 . 1 1 34 34 ALA N N 34 121.236 120.984 0.252 17414 8862 1 19 . 1 1 34 34 ALA HA H 34 5.207 5.306 -0.099 17414 8863 1 19 . 1 1 34 34 ALA CA C 34 49.704 50.669 -0.965 17414 8864 1 19 . 1 1 35 35 ALA N N 35 125.943 123.640 2.303 17414 8865 1 19 . 1 1 35 35 ALA HA H 35 4.633 4.765 -0.132 17414 8866 1 19 . 1 1 35 35 ALA CA C 35 50.168 49.989 0.179 17414 8867 1 19 . 1 1 35 35 ALA CB C 35 20.121 21.987 -1.866 17414 8868 1 19 . 1 1 36 36 LYS N N 36 121.159 118.228 2.931 17414 8869 1 19 . 1 1 36 36 LYS HA H 36 4.272 4.174 0.098 17414 8870 1 19 . 1 1 36 36 LYS CA C 36 58.723 58.583 0.140 17414 8871 1 19 . 1 1 37 37 ASP N N 37 115.815 117.575 -1.760 17414 8872 1 19 . 1 1 37 37 ASP HA H 37 4.526 4.725 -0.199 17414 8873 1 19 . 1 1 37 37 ASP CA C 37 52.534 54.099 -1.565 17414 8874 1 19 . 1 1 37 37 ASP CB C 37 39.654 41.515 -1.861 17414 8875 1 19 . 1 1 38 38 GLY N N 38 107.649 107.832 -0.183 17414 8876 1 19 . 1 1 38 38 GLY CA C 38 45.025 45.737 -0.712 17414 8877 1 19 . 1 1 39 39 THR N N 39 110.428 112.934 -2.506 17414 8878 1 19 . 1 1 39 39 THR HA H 39 4.265 4.322 -0.057 17414 8879 1 19 . 1 1 39 39 THR CA C 39 60.883 60.705 0.178 17414 8880 1 19 . 1 1 39 39 THR CB C 39 70.144 70.326 -0.182 17414 8881 1 19 . 1 1 40 40 LEU N N 40 120.829 125.475 -4.646 17414 8882 1 19 . 1 1 40 40 LEU HA H 40 5.312 5.167 0.145 17414 8883 1 19 . 1 1 40 40 LEU CA C 40 53.146 54.113 -0.967 17414 8884 1 19 . 1 1 40 40 LEU CB C 40 41.870 43.483 -1.613 17414 8885 1 19 . 1 1 41 41 HIS N N 41 120.175 120.488 -0.313 17414 8886 1 19 . 1 1 41 41 HIS HA H 41 4.622 4.961 -0.339 17414 8887 1 19 . 1 1 41 41 HIS CA C 41 54.675 54.896 -0.221 17414 8888 1 19 . 1 1 41 41 HIS CB C 41 35.374 33.488 1.886 17414 8889 1 19 . 1 1 42 42 ALA N N 42 125.084 125.777 -0.693 17414 8890 1 19 . 1 1 42 42 ALA HA H 42 5.530 4.517 1.013 17414 8891 1 19 . 1 1 42 42 ALA CA C 42 50.934 52.362 -1.428 17414 8892 1 19 . 1 1 42 42 ALA CB C 42 18.920 19.487 -0.567 17414 8893 1 19 . 1 1 43 43 ARG N N 43 124.440 121.760 2.680 17414 8894 1 19 . 1 1 43 43 ARG HA H 43 5.177 4.892 0.285 17414 8895 1 19 . 1 1 43 43 ARG CA C 43 50.736 52.792 -2.056 17414 8896 1 19 . 1 1 43 43 ARG CB C 43 35.105 33.206 1.899 17414 8897 1 19 . 1 1 44 44 PRO HA H 44 4.506 4.109 0.397 17414 8898 1 19 . 1 1 44 44 PRO CA C 44 61.661 62.055 -0.394 17414 8899 1 19 . 1 1 44 44 PRO CB C 44 32.437 32.138 0.299 17414 8900 1 19 . 1 1 45 45 VAL N N 45 119.113 120.250 -1.137 17414 8901 1 19 . 1 1 45 45 VAL HA H 45 4.195 4.212 -0.017 17414 8902 1 19 . 1 1 45 45 VAL CA C 45 61.770 61.491 0.279 17414 8903 1 19 . 1 1 45 45 VAL CB C 45 32.099 32.794 -0.695 17414 8904 1 19 . 1 1 46 46 VAL N N 46 114.811 119.691 -4.880 17414 8905 1 19 . 1 1 46 46 VAL HA H 46 4.117 4.312 -0.195 17414 8906 1 19 . 1 1 46 46 VAL CA C 46 59.689 60.841 -1.152 17414 8907 1 19 . 1 1 46 46 VAL CB C 46 33.207 33.277 -0.070 17414 8908 1 19 . 1 1 47 47 SER N N 47 113.271 114.821 -1.550 17414 8909 1 19 . 1 1 47 47 SER HA H 47 3.992 4.323 -0.331 17414 8910 1 19 . 1 1 47 47 SER CA C 47 56.916 56.899 0.017 17414 8911 1 19 . 1 1 47 47 SER CB C 47 65.285 66.108 -0.823 17414 8912 1 19 . 1 1 48 48 TRP N N 48 120.998 124.406 -3.408 17414 8913 1 19 . 1 1 48 48 TRP HA H 48 4.518 5.224 -0.706 17414 8914 1 19 . 1 1 48 48 TRP CA C 48 58.275 55.756 2.519 17414 8915 1 19 . 1 1 48 48 TRP CB C 48 32.474 31.900 0.574 17414 8916 1 19 . 1 1 49 49 PHE N N 49 120.098 122.173 -2.075 17414 8917 1 19 . 1 1 49 49 PHE HA H 49 5.159 5.085 0.074 17414 8918 1 19 . 1 1 49 49 PHE CA C 49 55.741 56.263 -0.522 17414 8919 1 19 . 1 1 49 49 PHE CB C 49 40.992 43.431 -2.439 17414 8920 1 19 . 1 1 50 50 ASP N N 50 127.259 121.647 5.612 17414 8921 1 19 . 1 1 50 50 ASP HA H 50 4.829 5.203 -0.374 17414 8922 1 19 . 1 1 50 50 ASP CA C 50 53.464 53.711 -0.247 17414 8923 1 19 . 1 1 50 50 ASP CB C 50 40.713 41.828 -1.115 17414 8924 1 19 . 1 1 51 51 GLN N N 51 123.758 121.701 2.057 17414 8925 1 19 . 1 1 51 51 GLN HA H 51 4.902 4.543 0.359 17414 8926 1 19 . 1 1 51 51 GLN CA C 51 55.613 55.934 -0.321 17414 8927 1 19 . 1 1 52 52 GLY N N 52 108.682 107.741 0.941 17414 8928 1 19 . 1 1 52 52 GLY CA C 52 44.063 44.641 -0.578 17414 8929 1 19 . 1 1 53 53 THR N N 53 118.925 115.913 3.012 17414 8930 1 19 . 1 1 53 53 THR HA H 53 4.734 4.739 -0.005 17414 8931 1 19 . 1 1 53 53 THR CA C 53 62.734 63.314 -0.580 17414 8932 1 19 . 1 1 53 53 THR CB C 53 67.881 69.223 -1.342 17414 8933 1 19 . 1 1 54 54 ARG N N 54 125.981 124.700 1.281 17414 8934 1 19 . 1 1 54 54 ARG HA H 54 4.677 4.906 -0.229 17414 8935 1 19 . 1 1 54 54 ARG CA C 54 53.580 54.001 -0.421 17414 8936 1 19 . 1 1 54 54 ARG CB C 54 35.619 34.690 0.929 17414 8937 1 19 . 1 1 55 55 ASP N N 55 119.621 120.728 -1.107 17414 8938 1 19 . 1 1 55 55 ASP HA H 55 4.973 5.357 -0.384 17414 8939 1 19 . 1 1 55 55 ASP CA C 55 54.236 53.883 0.353 17414 8940 1 19 . 1 1 55 55 ASP CB C 55 40.704 42.176 -1.472 17414 8941 1 19 . 1 1 56 56 VAL N N 56 114.565 118.115 -3.550 17414 8942 1 19 . 1 1 56 56 VAL HA H 56 4.804 4.955 -0.151 17414 8943 1 19 . 1 1 56 56 VAL CA C 56 58.672 59.220 -0.548 17414 8944 1 19 . 1 1 56 56 VAL CB C 56 34.813 35.898 -1.085 17414 8945 1 19 . 1 1 57 57 ILE N N 57 114.855 120.653 -5.798 17414 8946 1 19 . 1 1 57 57 ILE HA H 57 4.740 5.099 -0.359 17414 8947 1 19 . 1 1 57 57 ILE CA C 57 58.799 59.396 -0.597 17414 8948 1 19 . 1 1 57 57 ILE CB C 57 41.197 40.370 0.827 17414 8949 1 19 . 1 1 58 58 GLY N N 58 107.378 109.399 -2.021 17414 8950 1 19 . 1 1 58 58 GLY CA C 58 43.036 43.343 -0.307 17414 8951 1 19 . 1 1 59 59 LEU N N 59 124.061 124.959 -0.898 17414 8952 1 19 . 1 1 59 59 LEU HA H 59 4.677 4.764 -0.087 17414 8953 1 19 . 1 1 59 59 LEU CA C 59 52.282 53.593 -1.311 17414 8954 1 19 . 1 1 59 59 LEU CB C 59 42.668 43.131 -0.463 17414 8955 1 19 . 1 1 60 60 ARG N N 60 124.178 125.116 -0.938 17414 8956 1 19 . 1 1 60 60 ARG HA H 60 4.799 4.720 0.079 17414 8957 1 19 . 1 1 61 61 ILE N N 61 128.222 127.499 0.723 17414 8958 1 19 . 1 1 61 61 ILE HA H 61 4.492 4.448 0.044 17414 8959 1 19 . 1 1 61 61 ILE CA C 61 58.741 59.917 -1.176 17414 8960 1 19 . 1 1 61 61 ILE CB C 61 37.622 38.877 -1.255 17414 8961 1 19 . 1 1 62 62 ALA N N 62 128.005 131.745 -3.740 17414 8962 1 19 . 1 1 62 62 ALA HA H 62 4.108 3.972 0.136 17414 8963 1 19 . 1 1 62 62 ALA CA C 62 54.129 53.398 0.731 17414 8964 1 19 . 1 1 62 62 ALA CB C 62 18.002 17.993 0.009 17414 8965 1 19 . 1 1 63 63 GLY CA C 63 44.912 45.535 -0.623 17414 8966 1 19 . 1 1 64 64 GLY N N 64 107.906 108.477 -0.571 17414 8967 1 19 . 1 1 64 64 GLY CA C 64 44.751 45.927 -1.176 17414 8968 1 19 . 1 1 65 65 ALA N N 65 125.759 124.006 1.753 17414 8969 1 19 . 1 1 65 65 ALA HA H 65 4.394 4.634 -0.240 17414 8970 1 19 . 1 1 65 65 ALA CA C 65 51.764 51.327 0.437 17414 8971 1 19 . 1 1 65 65 ALA CB C 65 19.458 21.235 -1.777 17414 8972 1 19 . 1 1 66 66 ILE N N 66 118.136 119.393 -1.257 17414 8973 1 19 . 1 1 66 66 ILE HA H 66 4.705 4.990 -0.285 17414 8974 1 19 . 1 1 66 66 ILE CA C 66 59.670 59.420 0.250 17414 8975 1 19 . 1 1 66 66 ILE CB C 66 40.415 42.243 -1.828 17414 8976 1 19 . 1 1 67 67 LEU N N 67 127.715 127.373 0.342 17414 8977 1 19 . 1 1 67 67 LEU HA H 67 4.728 4.905 -0.177 17414 8978 1 19 . 1 1 67 67 LEU CA C 67 53.331 53.324 0.007 17414 8979 1 19 . 1 1 67 67 LEU CB C 67 44.102 45.428 -1.326 17414 8980 1 19 . 1 1 68 68 TRP N N 68 129.332 128.424 0.908 17414 8981 1 19 . 1 1 68 68 TRP HA H 68 5.672 5.383 0.289 17414 8982 1 19 . 1 1 68 68 TRP CA C 68 54.812 56.298 -1.486 17414 8983 1 19 . 1 1 68 68 TRP CB C 68 29.742 30.877 -1.135 17414 8984 1 19 . 1 1 69 69 ALA N N 69 124.233 123.659 0.574 17414 8985 1 19 . 1 1 69 69 ALA HA H 69 5.243 4.865 0.378 17414 8986 1 19 . 1 1 69 69 ALA CA C 69 49.203 51.257 -2.054 17414 8987 1 19 . 1 1 69 69 ALA CB C 69 22.138 23.094 -0.956 17414 8988 1 19 . 1 1 70 70 THR N N 70 111.459 110.991 0.468 17414 8989 1 19 . 1 1 70 70 THR HA H 70 5.152 4.889 0.263 17414 8990 1 19 . 1 1 70 70 THR CA C 70 60.495 60.322 0.173 17414 8991 1 19 . 1 1 70 70 THR CB C 70 67.570 69.030 -1.460 17414 8992 1 19 . 1 1 71 71 PRO HA H 71 4.165 4.523 -0.358 17414 8993 1 19 . 1 1 71 71 PRO CA C 71 64.390 64.885 -0.495 17414 8994 1 19 . 1 1 72 72 ASP N N 72 112.234 116.480 -4.246 17414 8995 1 19 . 1 1 72 72 ASP HA H 72 4.505 4.795 -0.290 17414 8996 1 19 . 1 1 72 72 ASP CA C 72 52.827 54.464 -1.637 17414 8997 1 19 . 1 1 73 73 HIS N N 73 125.389 120.011 5.378 17414 8998 1 19 . 1 1 73 73 HIS HA H 73 3.796 4.491 -0.695 17414 8999 1 19 . 1 1 73 73 HIS CA C 73 58.310 56.530 1.780 17414 9000 1 19 . 1 1 73 73 HIS CB C 73 32.385 30.571 1.814 17414 9001 1 19 . 1 1 74 74 LYS N N 74 127.412 125.955 1.457 17414 9002 1 19 . 1 1 74 74 LYS HA H 74 4.661 4.623 0.038 17414 9003 1 19 . 1 1 74 74 LYS CA C 74 56.845 56.312 0.533 17414 9004 1 19 . 1 1 75 75 VAL N N 75 125.726 125.400 0.326 17414 9005 1 19 . 1 1 75 75 VAL HA H 75 4.754 4.893 -0.139 17414 9006 1 19 . 1 1 75 75 VAL CA C 75 60.739 61.413 -0.674 17414 9007 1 19 . 1 1 75 75 VAL CB C 75 35.276 34.229 1.047 17414 9008 1 19 . 1 1 76 76 LEU N N 76 129.759 129.934 -0.175 17414 9009 1 19 . 1 1 76 76 LEU HA H 76 3.514 4.247 -0.733 17414 9010 1 19 . 1 1 76 76 LEU CA C 76 55.222 54.143 1.079 17414 9011 1 19 . 1 1 76 76 LEU CB C 76 39.052 42.501 -3.449 17414 9012 1 19 . 1 1 77 77 THR N N 77 116.138 117.153 -1.015 17414 9013 1 19 . 1 1 77 77 THR HA H 77 5.295 4.881 0.414 17414 9014 1 19 . 1 1 77 77 THR CA C 77 59.543 60.244 -0.701 17414 9015 1 19 . 1 1 78 78 GLU N N 78 119.986 119.629 0.357 17414 9016 1 19 . 1 1 78 78 GLU HA H 78 3.558 3.707 -0.149 17414 9017 1 19 . 1 1 78 78 GLU CA C 78 57.551 58.389 -0.838 17414 9018 1 19 . 1 1 78 78 GLU CB C 78 28.385 28.602 -0.217 17414 9019 1 19 . 1 1 79 79 TYR N N 79 117.251 118.130 -0.879 17414 9020 1 19 . 1 1 79 79 TYR HA H 79 4.749 4.554 0.195 17414 9021 1 19 . 1 1 79 79 TYR CA C 79 55.553 58.063 -2.510 17414 9022 1 19 . 1 1 79 79 TYR CB C 79 37.935 39.007 -1.072 17414 9023 1 19 . 1 1 80 80 GLY N N 80 106.884 107.350 -0.466 17414 9024 1 19 . 1 1 80 80 GLY CA C 80 42.757 44.336 -1.579 17414 9025 1 19 . 1 1 81 81 TRP N N 81 125.593 123.084 2.509 17414 9026 1 19 . 1 1 81 81 TRP HA H 81 4.884 5.268 -0.384 17414 9027 1 19 . 1 1 81 81 TRP CA C 81 57.790 57.741 0.049 17414 9028 1 19 . 1 1 81 81 TRP CB C 81 29.255 30.632 -1.377 17414 9029 1 19 . 1 1 82 82 ARG N N 82 124.625 122.639 1.986 17414 9030 1 19 . 1 1 82 82 ARG HA H 82 4.773 5.007 -0.234 17414 9031 1 19 . 1 1 82 82 ARG CA C 82 53.895 54.095 -0.200 17414 9032 1 19 . 1 1 83 83 ALA N N 83 125.891 127.629 -1.738 17414 9033 1 19 . 1 1 83 83 ALA HA H 83 4.293 4.432 -0.139 17414 9034 1 19 . 1 1 83 83 ALA CA C 83 51.686 52.739 -1.053 17414 9035 1 19 . 1 1 84 84 ALA N N 84 125.790 126.899 -1.109 17414 9036 1 19 . 1 1 84 84 ALA HA H 84 3.930 4.235 -0.305 17414 9037 1 19 . 1 1 84 84 ALA CB C 84 17.269 18.527 -1.258 17414 9038 1 19 . 1 1 85 85 GLY N N 85 102.306 107.667 -5.361 17414 9039 1 19 . 1 1 86 86 GLU N N 86 117.564 115.963 1.601 17414 9040 1 19 . 1 1 86 86 GLU HA H 86 4.414 4.519 -0.105 17414 9041 1 19 . 1 1 86 86 GLU CA C 86 55.233 55.590 -0.357 17414 9042 1 19 . 1 1 86 86 GLU CB C 86 30.231 30.815 -0.584 17414 9043 1 19 . 1 1 87 87 LEU N N 87 119.746 123.081 -3.335 17414 9044 1 19 . 1 1 87 87 LEU HA H 87 4.417 4.201 0.216 17414 9045 1 19 . 1 1 87 87 LEU CA C 87 54.274 55.132 -0.858 17414 9046 1 19 . 1 1 87 87 LEU CB C 87 41.471 42.255 -0.784 17414 9047 1 19 . 1 1 88 88 ARG N N 88 120.899 122.577 -1.678 17414 9048 1 19 . 1 1 88 88 ARG HA H 88 4.627 4.883 -0.256 17414 9049 1 19 . 1 1 88 88 ARG CA C 88 52.594 54.097 -1.503 17414 9050 1 19 . 1 1 89 89 LYS N N 89 119.795 125.725 -5.930 17414 9051 1 19 . 1 1 89 89 LYS HA H 89 3.669 3.953 -0.284 17414 9052 1 19 . 1 1 89 89 LYS CA C 89 57.770 58.299 -0.529 17414 9053 1 19 . 1 1 90 90 GLY N N 90 115.070 114.323 0.747 17414 9054 1 19 . 1 1 90 90 GLY CA C 90 44.499 45.391 -0.892 17414 9055 1 19 . 1 1 91 91 ASP N N 91 121.652 121.706 -0.054 17414 9056 1 19 . 1 1 91 91 ASP HA H 91 4.716 4.707 0.009 17414 9057 1 19 . 1 1 91 91 ASP CA C 91 55.866 54.506 1.360 17414 9058 1 19 . 1 1 92 92 ARG N N 92 117.826 123.281 -5.455 17414 9059 1 19 . 1 1 92 92 ARG HA H 92 5.241 5.101 0.140 17414 9060 1 19 . 1 1 92 92 ARG CA C 92 54.976 55.743 -0.767 17414 9061 1 19 . 1 1 92 92 ARG CB C 92 31.655 31.477 0.178 17414 9062 1 19 . 1 1 93 93 VAL N N 93 115.034 118.427 -3.393 17414 9063 1 19 . 1 1 93 93 VAL HA H 93 4.839 4.917 -0.078 17414 9064 1 19 . 1 1 93 93 VAL CA C 93 58.222 58.987 -0.765 17414 9065 1 19 . 1 1 94 94 ALA N N 94 126.192 124.962 1.230 17414 9066 1 19 . 1 1 94 94 ALA HA H 94 4.271 3.882 0.389 17414 9067 1 19 . 1 1 94 94 ALA CA C 94 50.975 52.019 -1.044 17414 9068 1 19 . 1 1 94 94 ALA CB C 94 18.748 18.844 -0.096 17414 9069 1 19 . 1 1 95 95 VAL N N 95 115.179 116.508 -1.329 17414 9070 1 19 . 1 1 95 95 VAL HA H 95 5.317 5.180 0.137 17414 9071 1 19 . 1 1 95 95 VAL CA C 95 57.154 58.744 -1.590 17414 9072 1 19 . 1 1 95 95 VAL CB C 95 35.186 35.650 -0.464 17414 9073 1 19 . 1 1 96 96 ARG N N 96 119.288 122.577 -3.289 17414 9074 1 19 . 1 1 96 96 ARG HA H 96 4.230 4.782 -0.552 17414 9075 1 19 . 1 1 96 96 ARG CA C 96 53.613 54.751 -1.138 17414 9076 1 19 . 1 1 96 96 ARG CB C 96 31.697 32.072 -0.375 17414 9077 1 19 . 1 1 97 97 ASP N N 97 131.180 125.966 5.214 17414 9078 1 19 . 1 1 97 97 ASP HA H 97 4.415 4.787 -0.372 17414 9079 1 19 . 1 1 97 97 ASP CA C 97 53.887 52.747 1.140 17414 9080 1 19 . 1 1 97 97 ASP CB C 97 42.723 42.352 0.371 17414 9081 1 19 . 1 1 98 98 VAL N N 98 126.152 126.066 0.086 17414 9082 1 19 . 1 1 98 98 VAL HA H 98 3.489 3.894 -0.405 17414 9083 1 19 . 1 1 98 98 VAL CA C 98 64.431 64.204 0.227 17414 9084 1 19 . 1 1 98 98 VAL CB C 98 31.047 31.868 -0.821 17414 9085 1 19 . 1 1 99 99 GLU N N 99 118.883 121.650 -2.767 17414 9086 1 19 . 1 1 99 99 GLU HA H 99 4.127 4.093 0.034 17414 9087 1 19 . 1 1 99 99 GLU CA C 99 58.178 59.202 -1.024 17414 9088 1 19 . 1 1 99 99 GLU CB C 99 29.591 29.651 -0.060 17414 9089 1 19 . 1 1 100 100 THR N N 100 106.301 109.243 -2.942 17414 9090 1 19 . 1 1 100 100 THR HA H 100 4.316 4.414 -0.098 17414 9091 1 19 . 1 1 100 100 THR CA C 100 61.407 62.102 -0.695 17414 9092 1 19 . 1 1 100 100 THR CB C 100 70.856 70.594 0.262 17414 9093 1 19 . 1 1 101 101 GLY N N 101 111.204 111.842 -0.638 17414 9094 1 19 . 1 1 101 101 GLY CA C 101 45.284 45.437 -0.153 17414 9095 1 19 . 1 1 102 102 GLU N N 102 118.458 120.700 -2.242 17414 9096 1 19 . 1 1 102 102 GLU HA H 102 4.301 4.358 -0.057 17414 9097 1 19 . 1 1 102 102 GLU CA C 102 55.160 56.236 -1.076 17414 9098 1 19 . 1 1 102 102 GLU CB C 102 31.769 31.045 0.724 17414 9099 1 19 . 1 1 103 103 LEU N N 103 121.701 120.314 1.387 17414 9100 1 19 . 1 1 103 103 LEU HA H 103 4.716 4.782 -0.066 17414 9101 1 19 . 1 1 103 103 LEU CA C 103 54.930 53.929 1.001 17414 9102 1 19 . 1 1 103 103 LEU CB C 103 42.346 42.592 -0.246 17414 9103 1 19 . 1 1 104 104 ARG N N 104 127.157 120.983 6.174 17414 9104 1 19 . 1 1 104 104 ARG HA H 104 4.403 4.805 -0.402 17414 9105 1 19 . 1 1 104 104 ARG CA C 104 53.201 53.504 -0.303 17414 9106 1 19 . 1 1 104 104 ARG CB C 104 32.989 34.068 -1.079 17414 9107 1 19 . 1 1 105 105 TYR N N 105 116.202 117.803 -1.601 17414 9108 1 19 . 1 1 105 105 TYR HA H 105 5.490 5.656 -0.166 17414 9109 1 19 . 1 1 105 105 TYR CA C 105 56.831 56.502 0.329 17414 9110 1 19 . 1 1 105 105 TYR CB C 105 40.116 41.667 -1.551 17414 9111 1 19 . 1 1 106 106 SER N N 106 118.250 115.173 3.077 17414 9112 1 19 . 1 1 106 106 SER HA H 106 4.807 5.082 -0.275 17414 9113 1 19 . 1 1 106 106 SER CA C 106 55.888 57.613 -1.725 17414 9114 1 19 . 1 1 106 106 SER CB C 106 66.301 66.888 -0.587 17414 9115 1 19 . 1 1 107 107 VAL N N 107 122.160 121.813 0.347 17414 9116 1 19 . 1 1 107 107 VAL HA H 107 4.423 4.707 -0.284 17414 9117 1 19 . 1 1 107 107 VAL CA C 107 61.369 60.212 1.157 17414 9118 1 19 . 1 1 107 107 VAL CB C 107 33.633 33.560 0.073 17414 9119 1 19 . 1 1 108 108 ILE N N 108 123.427 126.912 -3.485 17414 9120 1 19 . 1 1 108 108 ILE HA H 108 4.100 4.236 -0.136 17414 9121 1 19 . 1 1 108 108 ILE CA C 108 61.321 60.893 0.428 17414 9122 1 19 . 1 1 108 108 ILE CB C 108 37.408 38.423 -1.015 17414 9123 1 19 . 1 1 109 109 ARG N N 109 130.207 127.730 2.477 17414 9124 1 19 . 1 1 109 109 ARG HA H 109 4.254 4.361 -0.107 17414 9125 1 19 . 1 1 109 109 ARG CA C 109 55.904 57.199 -1.295 17414 9126 1 19 . 1 1 110 110 GLU N N 110 116.804 117.890 -1.086 17414 9127 1 19 . 1 1 110 110 GLU HA H 110 4.274 4.626 -0.352 17414 9128 1 19 . 1 1 110 110 GLU CA C 110 55.889 56.245 -0.356 17414 9129 1 19 . 1 1 110 110 GLU CB C 110 33.186 33.609 -0.423 17414 9130 1 19 . 1 1 111 111 VAL N N 111 125.709 127.291 -1.582 17414 9131 1 19 . 1 1 111 111 VAL HA H 111 4.709 4.512 0.197 17414 9132 1 19 . 1 1 111 111 VAL CA C 111 60.903 61.588 -0.685 17414 9133 1 19 . 1 1 111 111 VAL CB C 111 31.927 33.110 -1.183 17414 9134 1 19 . 1 1 112 112 LEU N N 112 132.638 128.398 4.240 17414 9135 1 19 . 1 1 112 112 LEU HA H 112 4.741 4.782 -0.041 17414 9136 1 19 . 1 1 112 112 LEU CA C 112 52.655 52.214 0.441 17414 9137 1 19 . 1 1 112 112 LEU CB C 112 40.998 41.724 -0.726 17414 9138 1 19 . 1 1 113 113 PRO HA H 113 4.532 4.609 -0.077 17414 9139 1 19 . 1 1 113 113 PRO CA C 113 61.916 62.295 -0.379 17414 9140 1 19 . 1 1 113 113 PRO CB C 113 32.608 32.607 0.001 17414 9141 1 19 . 1 1 114 114 THR N N 114 112.542 112.692 -0.150 17414 9142 1 19 . 1 1 114 114 THR HA H 114 4.973 4.708 0.265 17414 9143 1 19 . 1 1 114 114 THR CA C 114 61.865 61.549 0.316 17414 9144 1 19 . 1 1 114 114 THR CB C 114 69.345 70.150 -0.805 17414 9145 1 19 . 1 1 115 115 ARG N N 115 123.213 120.316 2.897 17414 9146 1 19 . 1 1 115 115 ARG HA H 115 4.694 4.973 -0.279 17414 9147 1 19 . 1 1 115 115 ARG CA C 115 54.302 54.415 -0.113 17414 9148 1 19 . 1 1 115 115 ARG CB C 115 32.684 33.972 -1.288 17414 9149 1 19 . 1 1 116 116 ARG N N 116 119.004 121.998 -2.994 17414 9150 1 19 . 1 1 116 116 ARG HA H 116 4.879 4.561 0.318 17414 9151 1 19 . 1 1 116 116 ARG CA C 116 54.554 56.537 -1.983 17414 9152 1 19 . 1 1 116 116 ARG CB C 116 30.285 30.600 -0.315 17414 9153 1 19 . 1 1 117 117 ALA N N 117 124.834 124.853 -0.019 17414 9154 1 19 . 1 1 117 117 ALA HA H 117 4.599 4.699 -0.100 17414 9155 1 19 . 1 1 117 117 ALA CA C 117 50.434 50.901 -0.467 17414 9156 1 19 . 1 1 117 117 ALA CB C 117 23.139 23.006 0.133 17414 9157 1 19 . 1 1 118 118 ARG N N 118 120.885 119.000 1.885 17414 9158 1 19 . 1 1 118 118 ARG HA H 118 3.925 4.598 -0.673 17414 9159 1 19 . 1 1 118 118 ARG CA C 118 57.559 55.634 1.925 17414 9160 1 19 . 1 1 118 118 ARG CB C 118 30.409 31.689 -1.280 17414 9161 1 19 . 1 1 119 119 THR N N 119 111.492 112.990 -1.498 17414 9162 1 19 . 1 1 119 119 THR HA H 119 5.309 5.368 -0.059 17414 9163 1 19 . 1 1 119 119 THR CA C 119 60.071 59.317 0.754 17414 9164 1 19 . 1 1 119 119 THR CB C 119 72.737 71.831 0.906 17414 9165 1 19 . 1 1 120 120 PHE N N 120 113.949 119.834 -5.885 17414 9166 1 19 . 1 1 120 120 PHE HA H 120 5.311 5.349 -0.038 17414 9167 1 19 . 1 1 120 120 PHE CA C 120 57.898 56.192 1.706 17414 9168 1 19 . 1 1 120 120 PHE CB C 120 46.203 43.693 2.510 17414 9169 1 19 . 1 1 121 121 ASP N N 121 118.841 119.425 -0.584 17414 9170 1 19 . 1 1 121 121 ASP HA H 121 5.352 5.515 -0.163 17414 9171 1 19 . 1 1 121 121 ASP CA C 121 55.227 53.345 1.882 17414 9172 1 19 . 1 1 121 121 ASP CB C 121 47.673 44.088 3.585 17414 9173 1 19 . 1 1 122 122 LEU N N 122 118.637 125.234 -6.597 17414 9174 1 19 . 1 1 122 122 LEU HA H 122 4.809 5.079 -0.270 17414 9175 1 19 . 1 1 122 122 LEU CB C 122 45.915 44.137 1.778 17414 9176 1 19 . 1 1 123 123 GLU N N 123 118.694 124.750 -6.056 17414 9177 1 19 . 1 1 123 123 GLU HA H 123 4.515 4.424 0.091 17414 9178 1 19 . 1 1 123 123 GLU CA C 123 54.697 55.526 -0.829 17414 9179 1 19 . 1 1 124 124 VAL N N 124 129.259 127.473 1.786 17414 9180 1 19 . 1 1 124 124 VAL HA H 124 4.065 4.094 -0.029 17414 9181 1 19 . 1 1 124 124 VAL CA C 124 61.193 62.012 -0.819 17414 9182 1 19 . 1 1 124 124 VAL CB C 124 33.607 32.234 1.373 17414 9183 1 19 . 1 1 125 125 GLU N N 125 128.432 127.216 1.216 17414 9184 1 19 . 1 1 125 125 GLU HA H 125 3.672 3.922 -0.250 17414 9185 1 19 . 1 1 125 125 GLU CA C 125 58.494 57.778 0.716 17414 9186 1 19 . 1 1 125 125 GLU CB C 125 30.552 29.748 0.804 17414 9187 1 19 . 1 1 126 126 GLU N N 126 120.993 119.359 1.634 17414 9188 1 19 . 1 1 126 126 GLU HA H 126 3.570 3.884 -0.314 17414 9189 1 19 . 1 1 126 126 GLU CA C 126 61.229 59.182 2.047 17414 9190 1 19 . 1 1 126 126 GLU CB C 126 29.621 28.185 1.436 17414 9191 1 19 . 1 1 127 127 LEU N N 127 120.945 119.931 1.014 17414 9192 1 19 . 1 1 127 127 LEU HA H 127 4.205 4.506 -0.301 17414 9193 1 19 . 1 1 127 127 LEU CA C 127 55.681 54.248 1.433 17414 9194 1 19 . 1 1 128 128 HIS HA H 128 4.584 4.793 -0.209 17414 9195 1 19 . 1 1 128 128 HIS CA C 128 54.566 55.839 -1.273 17414 9196 1 19 . 1 1 128 128 HIS CB C 128 26.062 29.010 -2.948 17414 9197 1 19 . 1 1 129 129 THR N N 129 105.639 114.221 -8.582 17414 9198 1 19 . 1 1 129 129 THR HA H 129 4.899 4.826 0.073 17414 9199 1 19 . 1 1 129 129 THR CA C 129 58.380 61.142 -2.762 17414 9200 1 19 . 1 1 129 129 THR CB C 129 72.980 70.944 2.036 17414 9201 1 19 . 1 1 130 130 LEU N N 130 111.598 120.649 -9.051 17414 9202 1 19 . 1 1 130 130 LEU HA H 130 5.537 5.421 0.116 17414 9203 1 19 . 1 1 130 130 LEU CA C 130 54.683 53.680 1.003 17414 9204 1 19 . 1 1 130 130 LEU CB C 130 44.277 45.689 -1.412 17414 9205 1 19 . 1 1 131 131 VAL N N 131 119.670 122.381 -2.711 17414 9206 1 19 . 1 1 131 131 VAL HA H 131 4.830 4.807 0.023 17414 9207 1 19 . 1 1 131 131 VAL CA C 131 61.285 62.522 -1.237 17414 9208 1 19 . 1 1 131 131 VAL CB C 131 30.272 31.908 -1.636 17414 9209 1 19 . 1 1 132 132 ALA N N 132 134.824 128.804 6.020 17414 9210 1 19 . 1 1 132 132 ALA HA H 132 4.931 4.935 -0.004 17414 9211 1 19 . 1 1 132 132 ALA CA C 132 49.999 50.614 -0.615 17414 9212 1 19 . 1 1 132 132 ALA CB C 132 21.422 21.987 -0.565 17414 9213 1 19 . 1 1 133 133 GLU N N 133 118.979 125.152 -6.173 17414 9214 1 19 . 1 1 133 133 GLU HA H 133 3.826 4.061 -0.235 17414 9215 1 19 . 1 1 133 133 GLU CA C 133 57.065 57.727 -0.662 17414 9216 1 19 . 1 1 133 133 GLU CB C 133 26.406 28.376 -1.970 17414 9217 1 19 . 1 1 134 134 GLY N N 134 100.017 104.400 -4.383 17414 9218 1 19 . 1 1 134 134 GLY CA C 134 45.352 46.196 -0.844 17414 9219 1 19 . 1 1 135 135 VAL N N 135 122.381 119.753 2.628 17414 9220 1 19 . 1 1 135 135 VAL HA H 135 4.560 4.690 -0.130 17414 9221 1 19 . 1 1 135 135 VAL CA C 135 60.885 60.362 0.523 17414 9222 1 19 . 1 1 135 135 VAL CB C 135 32.542 35.439 -2.897 17414 9223 1 19 . 1 1 136 136 VAL N N 136 126.302 126.343 -0.041 17414 9224 1 19 . 1 1 136 136 VAL HA H 136 4.254 4.734 -0.480 17414 9225 1 19 . 1 1 136 136 VAL CA C 136 63.608 61.594 2.014 17414 9226 1 19 . 1 1 136 136 VAL CB C 136 30.519 32.451 -1.932 17414 9227 1 19 . 1 1 137 137 VAL N N 137 118.757 120.319 -1.562 17414 9228 1 19 . 1 1 137 137 VAL HA H 137 5.743 5.225 0.518 17414 9229 1 19 . 1 1 137 137 VAL CA C 137 58.252 59.753 -1.501 17414 9230 1 19 . 1 1 137 137 VAL CB C 137 36.378 35.837 0.541 17414 9231 1 19 . 1 1 138 138 HIS N N 138 120.902 123.981 -3.079 17414 9232 1 19 . 1 1 138 138 HIS HA H 138 4.434 4.289 0.145 17414 9233 1 19 . 1 1 138 138 HIS CA C 138 56.439 57.440 -1.001 17414 9234 1 19 . 1 1 138 138 HIS CB C 138 30.583 30.081 0.502 17414 9235 1 20 . 1 1 2 2 LEU N N 2 122.945 123.177 -0.232 17414 9236 1 20 . 1 1 2 2 LEU HA H 2 5.005 4.843 0.162 17414 9237 1 20 . 1 1 2 2 LEU CA C 2 53.355 53.698 -0.343 17414 9238 1 20 . 1 1 2 2 LEU CB C 2 43.858 43.792 0.066 17414 9239 1 20 . 1 1 3 3 ALA N N 3 121.232 126.532 -5.300 17414 9240 1 20 . 1 1 3 3 ALA HA H 3 4.730 4.372 0.358 17414 9241 1 20 . 1 1 3 3 ALA CA C 3 52.302 52.639 -0.337 17414 9242 1 20 . 1 1 3 3 ALA CB C 3 21.769 19.552 2.217 17414 9243 1 20 . 1 1 4 4 GLU N N 4 121.283 121.536 -0.253 17414 9244 1 20 . 1 1 4 4 GLU HA H 4 4.074 4.205 -0.131 17414 9245 1 20 . 1 1 4 4 GLU CA C 4 57.136 59.989 -2.853 17414 9246 1 20 . 1 1 4 4 GLU CB C 4 31.847 29.982 1.865 17414 9247 1 20 . 1 1 5 5 GLY N N 5 119.858 107.304 12.554 17414 9248 1 20 . 1 1 5 5 GLY CA C 5 44.157 45.767 -1.610 17414 9249 1 20 . 1 1 6 6 THR N N 6 117.099 115.683 1.416 17414 9250 1 20 . 1 1 6 6 THR HA H 6 4.301 4.161 0.140 17414 9251 1 20 . 1 1 6 6 THR CA C 6 65.228 63.807 1.421 17414 9252 1 20 . 1 1 6 6 THR CB C 6 68.654 69.604 -0.950 17414 9253 1 20 . 1 1 7 7 ARG N N 7 130.107 127.714 2.393 17414 9254 1 20 . 1 1 7 7 ARG HA H 7 4.878 4.868 0.010 17414 9255 1 20 . 1 1 7 7 ARG CA C 7 55.868 56.093 -0.225 17414 9256 1 20 . 1 1 8 8 ILE N N 8 123.872 125.554 -1.682 17414 9257 1 20 . 1 1 8 8 ILE HA H 8 4.531 4.703 -0.172 17414 9258 1 20 . 1 1 8 8 ILE CA C 8 59.240 60.283 -1.043 17414 9259 1 20 . 1 1 8 8 ILE CB C 8 40.450 39.138 1.312 17414 9260 1 20 . 1 1 9 9 PHE N N 9 129.317 129.411 -0.094 17414 9261 1 20 . 1 1 9 9 PHE HA H 9 4.832 4.755 0.077 17414 9262 1 20 . 1 1 9 9 PHE CA C 9 56.960 58.960 -2.000 17414 9263 1 20 . 1 1 9 9 PHE CB C 9 40.542 40.003 0.539 17414 9264 1 20 . 1 1 10 10 ASP N N 10 128.073 127.004 1.069 17414 9265 1 20 . 1 1 10 10 ASP HA H 10 5.529 4.933 0.596 17414 9266 1 20 . 1 1 10 10 ASP CA C 10 49.160 49.834 -0.674 17414 9267 1 20 . 1 1 10 10 ASP CB C 10 43.037 42.391 0.646 17414 9268 1 20 . 1 1 11 11 PRO HA H 11 3.974 4.465 -0.491 17414 9269 1 20 . 1 1 11 11 PRO CA C 11 62.348 64.440 -2.092 17414 9270 1 20 . 1 1 11 11 PRO CB C 11 30.977 32.152 -1.175 17414 9271 1 20 . 1 1 12 12 VAL N N 12 124.105 116.440 7.665 17414 9272 1 20 . 1 1 12 12 VAL HA H 12 3.591 3.674 -0.083 17414 9273 1 20 . 1 1 12 12 VAL CA C 12 64.849 65.507 -0.658 17414 9274 1 20 . 1 1 13 13 THR N N 13 107.133 113.590 -6.457 17414 9275 1 20 . 1 1 13 13 THR HA H 13 4.228 4.227 0.001 17414 9276 1 20 . 1 1 13 13 THR CA C 13 60.944 64.147 -3.203 17414 9277 1 20 . 1 1 13 13 THR CB C 13 69.447 69.281 0.166 17414 9278 1 20 . 1 1 14 14 GLY N N 14 112.897 109.095 3.802 17414 9279 1 20 . 1 1 14 14 GLY CA C 14 45.650 45.663 -0.013 17414 9280 1 20 . 1 1 15 15 THR N N 15 117.286 116.184 1.102 17414 9281 1 20 . 1 1 15 15 THR HA H 15 4.276 4.610 -0.334 17414 9282 1 20 . 1 1 15 15 THR CA C 15 61.382 61.071 0.311 17414 9283 1 20 . 1 1 15 15 THR CB C 15 70.037 71.208 -1.171 17414 9284 1 20 . 1 1 16 16 THR N N 16 120.518 119.199 1.319 17414 9285 1 20 . 1 1 16 16 THR HA H 16 4.911 4.494 0.417 17414 9286 1 20 . 1 1 16 16 THR CA C 16 62.321 62.795 -0.474 17414 9287 1 20 . 1 1 16 16 THR CB C 16 69.184 68.955 0.229 17414 9288 1 20 . 1 1 17 17 HIS N N 17 127.011 126.512 0.499 17414 9289 1 20 . 1 1 17 17 HIS HA H 17 4.586 5.005 -0.419 17414 9290 1 20 . 1 1 17 17 HIS CA C 17 54.406 54.946 -0.540 17414 9291 1 20 . 1 1 17 17 HIS CB C 17 35.299 32.112 3.187 17414 9292 1 20 . 1 1 18 18 ARG N N 18 120.890 121.800 -0.910 17414 9293 1 20 . 1 1 18 18 ARG HA H 18 4.679 4.434 0.245 17414 9294 1 20 . 1 1 18 18 ARG CA C 18 54.802 55.141 -0.339 17414 9295 1 20 . 1 1 18 18 ARG CB C 18 29.657 31.794 -2.137 17414 9296 1 20 . 1 1 19 19 ILE N N 19 125.005 123.284 1.721 17414 9297 1 20 . 1 1 19 19 ILE HA H 19 3.696 3.700 -0.004 17414 9298 1 20 . 1 1 19 19 ILE CA C 19 66.021 64.520 1.501 17414 9299 1 20 . 1 1 19 19 ILE CB C 19 37.936 37.777 0.159 17414 9300 1 20 . 1 1 20 20 GLU N N 20 123.813 119.700 4.113 17414 9301 1 20 . 1 1 20 20 GLU HA H 20 2.787 3.561 -0.774 17414 9302 1 20 . 1 1 20 20 GLU CA C 20 57.675 58.794 -1.119 17414 9303 1 20 . 1 1 20 20 GLU CB C 20 28.945 28.820 0.125 17414 9304 1 20 . 1 1 21 21 ASP N N 21 123.330 119.953 3.377 17414 9305 1 20 . 1 1 21 21 ASP HA H 21 4.489 4.490 -0.001 17414 9306 1 20 . 1 1 21 21 ASP CA C 21 55.734 56.548 -0.814 17414 9307 1 20 . 1 1 21 21 ASP CB C 21 40.038 40.998 -0.960 17414 9308 1 20 . 1 1 22 22 VAL N N 22 121.407 120.667 0.740 17414 9309 1 20 . 1 1 22 22 VAL HA H 22 3.303 3.601 -0.298 17414 9310 1 20 . 1 1 22 22 VAL CA C 22 65.768 66.224 -0.456 17414 9311 1 20 . 1 1 22 22 VAL CB C 22 31.327 31.587 -0.260 17414 9312 1 20 . 1 1 23 23 VAL N N 23 116.800 120.804 -4.004 17414 9313 1 20 . 1 1 23 23 VAL HA H 23 3.928 3.819 0.109 17414 9314 1 20 . 1 1 23 23 VAL CA C 23 66.310 66.340 -0.030 17414 9315 1 20 . 1 1 24 24 GLY N N 24 120.577 108.355 12.222 17414 9316 1 20 . 1 1 25 25 GLY N N 25 103.034 108.291 -5.257 17414 9317 1 20 . 1 1 25 25 GLY CA C 25 43.755 44.916 -1.161 17414 9318 1 20 . 1 1 26 26 ARG N N 26 122.306 116.645 5.661 17414 9319 1 20 . 1 1 26 26 ARG HA H 26 1.544 3.589 -2.045 17414 9320 1 20 . 1 1 26 26 ARG CA C 26 55.119 56.499 -1.380 17414 9321 1 20 . 1 1 26 26 ARG CB C 26 26.620 27.541 -0.921 17414 9322 1 20 . 1 1 27 27 LYS N N 27 115.887 119.509 -3.622 17414 9323 1 20 . 1 1 27 27 LYS HA H 27 4.168 4.369 -0.201 17414 9324 1 20 . 1 1 27 27 LYS CB C 27 33.503 32.875 0.628 17414 9325 1 20 . 1 1 28 28 PRO HA H 28 5.145 4.888 0.257 17414 9326 1 20 . 1 1 28 28 PRO CA C 28 61.507 62.627 -1.120 17414 9327 1 20 . 1 1 28 28 PRO CB C 28 27.787 30.422 -2.635 17414 9328 1 20 . 1 1 29 29 ILE N N 29 116.657 117.632 -0.975 17414 9329 1 20 . 1 1 29 29 ILE HA H 29 4.443 5.170 -0.727 17414 9330 1 20 . 1 1 29 29 ILE CA C 29 60.723 58.994 1.729 17414 9331 1 20 . 1 1 29 29 ILE CB C 29 38.563 40.861 -2.298 17414 9332 1 20 . 1 1 30 30 HIS N N 30 118.274 118.036 0.238 17414 9333 1 20 . 1 1 30 30 HIS HA H 30 5.152 5.284 -0.132 17414 9334 1 20 . 1 1 30 30 HIS CA C 30 55.902 54.278 1.624 17414 9335 1 20 . 1 1 30 30 HIS CB C 30 30.925 33.992 -3.067 17414 9336 1 20 . 1 1 31 31 VAL N N 31 107.262 115.787 -8.525 17414 9337 1 20 . 1 1 31 31 VAL HA H 31 5.212 4.788 0.424 17414 9338 1 20 . 1 1 31 31 VAL CA C 31 57.692 59.263 -1.571 17414 9339 1 20 . 1 1 31 31 VAL CB C 31 34.153 35.985 -1.832 17414 9340 1 20 . 1 1 32 32 VAL N N 32 119.900 123.314 -3.414 17414 9341 1 20 . 1 1 32 32 VAL HA H 32 4.246 4.470 -0.224 17414 9342 1 20 . 1 1 32 32 VAL CA C 32 62.504 62.460 0.044 17414 9343 1 20 . 1 1 33 33 ALA N N 33 128.967 129.996 -1.029 17414 9344 1 20 . 1 1 33 33 ALA HA H 33 4.522 5.314 -0.792 17414 9345 1 20 . 1 1 33 33 ALA CA C 33 49.594 50.052 -0.458 17414 9346 1 20 . 1 1 33 33 ALA CB C 33 23.635 23.071 0.564 17414 9347 1 20 . 1 1 34 34 ALA N N 34 121.236 121.158 0.078 17414 9348 1 20 . 1 1 34 34 ALA HA H 34 5.207 5.551 -0.344 17414 9349 1 20 . 1 1 34 34 ALA CA C 34 49.704 50.393 -0.689 17414 9350 1 20 . 1 1 35 35 ALA N N 35 125.943 122.676 3.267 17414 9351 1 20 . 1 1 35 35 ALA HA H 35 4.633 4.718 -0.085 17414 9352 1 20 . 1 1 35 35 ALA CA C 35 50.168 49.883 0.285 17414 9353 1 20 . 1 1 35 35 ALA CB C 35 20.121 21.500 -1.379 17414 9354 1 20 . 1 1 36 36 LYS N N 36 121.159 117.791 3.368 17414 9355 1 20 . 1 1 36 36 LYS HA H 36 4.272 4.133 0.139 17414 9356 1 20 . 1 1 36 36 LYS CA C 36 58.723 58.598 0.125 17414 9357 1 20 . 1 1 37 37 ASP N N 37 115.815 117.452 -1.637 17414 9358 1 20 . 1 1 37 37 ASP HA H 37 4.526 4.699 -0.173 17414 9359 1 20 . 1 1 37 37 ASP CA C 37 52.534 54.178 -1.644 17414 9360 1 20 . 1 1 37 37 ASP CB C 37 39.654 41.362 -1.708 17414 9361 1 20 . 1 1 38 38 GLY N N 38 107.649 107.731 -0.082 17414 9362 1 20 . 1 1 38 38 GLY CA C 38 45.025 45.139 -0.114 17414 9363 1 20 . 1 1 39 39 THR N N 39 110.428 113.645 -3.217 17414 9364 1 20 . 1 1 39 39 THR HA H 39 4.265 4.546 -0.281 17414 9365 1 20 . 1 1 39 39 THR CA C 39 60.883 61.312 -0.429 17414 9366 1 20 . 1 1 39 39 THR CB C 39 70.144 71.018 -0.874 17414 9367 1 20 . 1 1 40 40 LEU N N 40 120.829 123.179 -2.350 17414 9368 1 20 . 1 1 40 40 LEU HA H 40 5.312 5.510 -0.198 17414 9369 1 20 . 1 1 40 40 LEU CA C 40 53.146 53.912 -0.766 17414 9370 1 20 . 1 1 40 40 LEU CB C 40 41.870 43.318 -1.448 17414 9371 1 20 . 1 1 41 41 HIS N N 41 120.175 124.346 -4.171 17414 9372 1 20 . 1 1 41 41 HIS HA H 41 4.622 5.285 -0.663 17414 9373 1 20 . 1 1 41 41 HIS CA C 41 54.675 54.643 0.032 17414 9374 1 20 . 1 1 41 41 HIS CB C 41 35.374 33.465 1.909 17414 9375 1 20 . 1 1 42 42 ALA N N 42 125.084 127.815 -2.731 17414 9376 1 20 . 1 1 42 42 ALA HA H 42 5.530 4.391 1.139 17414 9377 1 20 . 1 1 42 42 ALA CA C 42 50.934 52.122 -1.188 17414 9378 1 20 . 1 1 42 42 ALA CB C 42 18.920 19.425 -0.505 17414 9379 1 20 . 1 1 43 43 ARG N N 43 124.440 121.388 3.052 17414 9380 1 20 . 1 1 43 43 ARG HA H 43 5.177 4.816 0.361 17414 9381 1 20 . 1 1 43 43 ARG CA C 43 50.736 52.696 -1.960 17414 9382 1 20 . 1 1 43 43 ARG CB C 43 35.105 33.015 2.090 17414 9383 1 20 . 1 1 44 44 PRO HA H 44 4.506 4.021 0.485 17414 9384 1 20 . 1 1 44 44 PRO CA C 44 61.661 61.987 -0.326 17414 9385 1 20 . 1 1 44 44 PRO CB C 44 32.437 32.110 0.327 17414 9386 1 20 . 1 1 45 45 VAL N N 45 119.113 121.135 -2.022 17414 9387 1 20 . 1 1 45 45 VAL HA H 45 4.195 3.880 0.315 17414 9388 1 20 . 1 1 45 45 VAL CA C 45 61.770 61.757 0.013 17414 9389 1 20 . 1 1 45 45 VAL CB C 45 32.099 32.078 0.021 17414 9390 1 20 . 1 1 46 46 VAL N N 46 114.811 125.788 -10.977 17414 9391 1 20 . 1 1 46 46 VAL HA H 46 4.117 4.244 -0.127 17414 9392 1 20 . 1 1 46 46 VAL CA C 46 59.689 61.988 -2.299 17414 9393 1 20 . 1 1 46 46 VAL CB C 46 33.207 33.149 0.058 17414 9394 1 20 . 1 1 47 47 SER N N 47 113.271 115.489 -2.218 17414 9395 1 20 . 1 1 47 47 SER HA H 47 3.992 4.660 -0.668 17414 9396 1 20 . 1 1 47 47 SER CA C 47 56.916 57.336 -0.420 17414 9397 1 20 . 1 1 47 47 SER CB C 47 65.285 65.976 -0.691 17414 9398 1 20 . 1 1 48 48 TRP N N 48 120.998 125.075 -4.077 17414 9399 1 20 . 1 1 48 48 TRP HA H 48 4.518 5.364 -0.846 17414 9400 1 20 . 1 1 48 48 TRP CA C 48 58.275 55.624 2.651 17414 9401 1 20 . 1 1 48 48 TRP CB C 48 32.474 31.016 1.458 17414 9402 1 20 . 1 1 49 49 PHE N N 49 120.098 123.043 -2.945 17414 9403 1 20 . 1 1 49 49 PHE HA H 49 5.159 5.203 -0.044 17414 9404 1 20 . 1 1 49 49 PHE CA C 49 55.741 56.228 -0.487 17414 9405 1 20 . 1 1 49 49 PHE CB C 49 40.992 43.119 -2.127 17414 9406 1 20 . 1 1 50 50 ASP N N 50 127.259 121.871 5.388 17414 9407 1 20 . 1 1 50 50 ASP HA H 50 4.829 5.213 -0.384 17414 9408 1 20 . 1 1 50 50 ASP CA C 50 53.464 53.017 0.447 17414 9409 1 20 . 1 1 50 50 ASP CB C 50 40.713 42.131 -1.418 17414 9410 1 20 . 1 1 51 51 GLN N N 51 123.758 120.522 3.236 17414 9411 1 20 . 1 1 51 51 GLN HA H 51 4.902 4.531 0.371 17414 9412 1 20 . 1 1 51 51 GLN CA C 51 55.613 55.604 0.009 17414 9413 1 20 . 1 1 52 52 GLY N N 52 108.682 107.648 1.034 17414 9414 1 20 . 1 1 52 52 GLY CA C 52 44.063 44.585 -0.522 17414 9415 1 20 . 1 1 53 53 THR N N 53 118.925 115.992 2.933 17414 9416 1 20 . 1 1 53 53 THR HA H 53 4.734 4.734 0.000 17414 9417 1 20 . 1 1 53 53 THR CA C 53 62.734 63.228 -0.494 17414 9418 1 20 . 1 1 53 53 THR CB C 53 67.881 68.988 -1.107 17414 9419 1 20 . 1 1 54 54 ARG N N 54 125.981 124.888 1.093 17414 9420 1 20 . 1 1 54 54 ARG HA H 54 4.677 4.915 -0.238 17414 9421 1 20 . 1 1 54 54 ARG CA C 54 53.580 54.056 -0.476 17414 9422 1 20 . 1 1 54 54 ARG CB C 54 35.619 34.356 1.263 17414 9423 1 20 . 1 1 55 55 ASP N N 55 119.621 121.170 -1.549 17414 9424 1 20 . 1 1 55 55 ASP HA H 55 4.973 5.327 -0.354 17414 9425 1 20 . 1 1 55 55 ASP CA C 55 54.236 54.697 -0.461 17414 9426 1 20 . 1 1 55 55 ASP CB C 55 40.704 41.098 -0.394 17414 9427 1 20 . 1 1 56 56 VAL N N 56 114.565 117.993 -3.428 17414 9428 1 20 . 1 1 56 56 VAL HA H 56 4.804 4.952 -0.148 17414 9429 1 20 . 1 1 56 56 VAL CA C 56 58.672 59.477 -0.805 17414 9430 1 20 . 1 1 56 56 VAL CB C 56 34.813 35.963 -1.150 17414 9431 1 20 . 1 1 57 57 ILE N N 57 114.855 122.547 -7.692 17414 9432 1 20 . 1 1 57 57 ILE HA H 57 4.740 4.990 -0.250 17414 9433 1 20 . 1 1 57 57 ILE CA C 57 58.799 59.622 -0.823 17414 9434 1 20 . 1 1 57 57 ILE CB C 57 41.197 39.661 1.536 17414 9435 1 20 . 1 1 58 58 GLY N N 58 107.378 109.234 -1.856 17414 9436 1 20 . 1 1 58 58 GLY CA C 58 43.036 43.127 -0.091 17414 9437 1 20 . 1 1 59 59 LEU N N 59 124.061 124.717 -0.656 17414 9438 1 20 . 1 1 59 59 LEU HA H 59 4.677 4.727 -0.050 17414 9439 1 20 . 1 1 59 59 LEU CA C 59 52.282 53.753 -1.471 17414 9440 1 20 . 1 1 59 59 LEU CB C 59 42.668 43.569 -0.901 17414 9441 1 20 . 1 1 60 60 ARG N N 60 124.178 125.427 -1.249 17414 9442 1 20 . 1 1 60 60 ARG HA H 60 4.799 4.562 0.237 17414 9443 1 20 . 1 1 61 61 ILE N N 61 128.222 127.515 0.707 17414 9444 1 20 . 1 1 61 61 ILE HA H 61 4.492 4.238 0.254 17414 9445 1 20 . 1 1 61 61 ILE CA C 61 58.741 60.850 -2.109 17414 9446 1 20 . 1 1 61 61 ILE CB C 61 37.622 38.081 -0.459 17414 9447 1 20 . 1 1 62 62 ALA N N 62 128.005 131.607 -3.602 17414 9448 1 20 . 1 1 62 62 ALA HA H 62 4.108 3.957 0.151 17414 9449 1 20 . 1 1 62 62 ALA CA C 62 54.129 53.340 0.789 17414 9450 1 20 . 1 1 62 62 ALA CB C 62 18.002 18.021 -0.019 17414 9451 1 20 . 1 1 63 63 GLY CA C 63 44.912 45.613 -0.701 17414 9452 1 20 . 1 1 64 64 GLY N N 64 107.906 108.486 -0.580 17414 9453 1 20 . 1 1 64 64 GLY CA C 64 44.751 46.434 -1.683 17414 9454 1 20 . 1 1 65 65 ALA N N 65 125.759 122.960 2.799 17414 9455 1 20 . 1 1 65 65 ALA HA H 65 4.394 4.747 -0.353 17414 9456 1 20 . 1 1 65 65 ALA CA C 65 51.764 51.354 0.410 17414 9457 1 20 . 1 1 65 65 ALA CB C 65 19.458 21.261 -1.803 17414 9458 1 20 . 1 1 66 66 ILE N N 66 118.136 119.468 -1.332 17414 9459 1 20 . 1 1 66 66 ILE HA H 66 4.705 4.987 -0.282 17414 9460 1 20 . 1 1 66 66 ILE CA C 66 59.670 59.541 0.129 17414 9461 1 20 . 1 1 66 66 ILE CB C 66 40.415 41.576 -1.161 17414 9462 1 20 . 1 1 67 67 LEU N N 67 127.715 126.675 1.040 17414 9463 1 20 . 1 1 67 67 LEU HA H 67 4.728 5.031 -0.303 17414 9464 1 20 . 1 1 67 67 LEU CA C 67 53.331 53.587 -0.256 17414 9465 1 20 . 1 1 67 67 LEU CB C 67 44.102 45.785 -1.683 17414 9466 1 20 . 1 1 68 68 TRP N N 68 129.332 127.792 1.540 17414 9467 1 20 . 1 1 68 68 TRP HA H 68 5.672 5.408 0.264 17414 9468 1 20 . 1 1 68 68 TRP CA C 68 54.812 55.756 -0.944 17414 9469 1 20 . 1 1 68 68 TRP CB C 68 29.742 31.721 -1.979 17414 9470 1 20 . 1 1 69 69 ALA N N 69 124.233 123.496 0.737 17414 9471 1 20 . 1 1 69 69 ALA HA H 69 5.243 4.935 0.308 17414 9472 1 20 . 1 1 69 69 ALA CA C 69 49.203 51.143 -1.940 17414 9473 1 20 . 1 1 69 69 ALA CB C 69 22.138 23.505 -1.367 17414 9474 1 20 . 1 1 70 70 THR N N 70 111.459 110.999 0.460 17414 9475 1 20 . 1 1 70 70 THR HA H 70 5.152 4.933 0.219 17414 9476 1 20 . 1 1 70 70 THR CA C 70 60.495 60.300 0.195 17414 9477 1 20 . 1 1 70 70 THR CB C 70 67.570 69.061 -1.491 17414 9478 1 20 . 1 1 71 71 PRO HA H 71 4.165 4.538 -0.373 17414 9479 1 20 . 1 1 71 71 PRO CA C 71 64.390 64.961 -0.571 17414 9480 1 20 . 1 1 72 72 ASP N N 72 112.234 116.393 -4.159 17414 9481 1 20 . 1 1 72 72 ASP HA H 72 4.505 4.786 -0.281 17414 9482 1 20 . 1 1 72 72 ASP CA C 72 52.827 54.637 -1.810 17414 9483 1 20 . 1 1 73 73 HIS N N 73 125.389 120.059 5.330 17414 9484 1 20 . 1 1 73 73 HIS HA H 73 3.796 4.503 -0.707 17414 9485 1 20 . 1 1 73 73 HIS CA C 73 58.310 57.025 1.285 17414 9486 1 20 . 1 1 73 73 HIS CB C 73 32.385 30.571 1.814 17414 9487 1 20 . 1 1 74 74 LYS N N 74 127.412 125.624 1.788 17414 9488 1 20 . 1 1 74 74 LYS HA H 74 4.661 4.685 -0.024 17414 9489 1 20 . 1 1 74 74 LYS CA C 74 56.845 56.180 0.665 17414 9490 1 20 . 1 1 75 75 VAL N N 75 125.726 125.014 0.712 17414 9491 1 20 . 1 1 75 75 VAL HA H 75 4.754 4.829 -0.075 17414 9492 1 20 . 1 1 75 75 VAL CA C 75 60.739 61.514 -0.775 17414 9493 1 20 . 1 1 75 75 VAL CB C 75 35.276 33.906 1.370 17414 9494 1 20 . 1 1 76 76 LEU N N 76 129.759 129.128 0.631 17414 9495 1 20 . 1 1 76 76 LEU HA H 76 3.514 4.310 -0.796 17414 9496 1 20 . 1 1 76 76 LEU CA C 76 55.222 53.990 1.232 17414 9497 1 20 . 1 1 76 76 LEU CB C 76 39.052 42.436 -3.384 17414 9498 1 20 . 1 1 77 77 THR N N 77 116.138 120.811 -4.673 17414 9499 1 20 . 1 1 77 77 THR HA H 77 5.295 4.798 0.497 17414 9500 1 20 . 1 1 77 77 THR CA C 77 59.543 61.102 -1.559 17414 9501 1 20 . 1 1 78 78 GLU N N 78 119.986 122.333 -2.347 17414 9502 1 20 . 1 1 78 78 GLU HA H 78 3.558 3.875 -0.317 17414 9503 1 20 . 1 1 78 78 GLU CA C 78 57.551 58.279 -0.728 17414 9504 1 20 . 1 1 78 78 GLU CB C 78 28.385 28.814 -0.429 17414 9505 1 20 . 1 1 79 79 TYR N N 79 117.251 119.104 -1.853 17414 9506 1 20 . 1 1 79 79 TYR HA H 79 4.749 4.581 0.168 17414 9507 1 20 . 1 1 79 79 TYR CA C 79 55.553 58.292 -2.739 17414 9508 1 20 . 1 1 79 79 TYR CB C 79 37.935 39.390 -1.455 17414 9509 1 20 . 1 1 80 80 GLY N N 80 106.884 107.664 -0.780 17414 9510 1 20 . 1 1 80 80 GLY CA C 80 42.757 44.116 -1.359 17414 9511 1 20 . 1 1 81 81 TRP N N 81 125.593 122.894 2.699 17414 9512 1 20 . 1 1 81 81 TRP HA H 81 4.884 5.130 -0.246 17414 9513 1 20 . 1 1 81 81 TRP CA C 81 57.790 58.116 -0.326 17414 9514 1 20 . 1 1 81 81 TRP CB C 81 29.255 29.998 -0.743 17414 9515 1 20 . 1 1 82 82 ARG N N 82 124.625 123.828 0.797 17414 9516 1 20 . 1 1 82 82 ARG HA H 82 4.773 4.989 -0.216 17414 9517 1 20 . 1 1 82 82 ARG CA C 82 53.895 54.093 -0.198 17414 9518 1 20 . 1 1 83 83 ALA N N 83 125.891 127.432 -1.541 17414 9519 1 20 . 1 1 83 83 ALA HA H 83 4.293 4.474 -0.181 17414 9520 1 20 . 1 1 83 83 ALA CA C 83 51.686 52.582 -0.896 17414 9521 1 20 . 1 1 84 84 ALA N N 84 125.790 126.369 -0.579 17414 9522 1 20 . 1 1 84 84 ALA HA H 84 3.930 4.009 -0.079 17414 9523 1 20 . 1 1 84 84 ALA CB C 84 17.269 18.502 -1.233 17414 9524 1 20 . 1 1 85 85 GLY N N 85 102.306 104.918 -2.612 17414 9525 1 20 . 1 1 86 86 GLU N N 86 117.564 118.188 -0.624 17414 9526 1 20 . 1 1 86 86 GLU HA H 86 4.414 4.412 0.002 17414 9527 1 20 . 1 1 86 86 GLU CA C 86 55.233 56.502 -1.269 17414 9528 1 20 . 1 1 86 86 GLU CB C 86 30.231 30.201 0.030 17414 9529 1 20 . 1 1 87 87 LEU N N 87 119.746 121.561 -1.815 17414 9530 1 20 . 1 1 87 87 LEU HA H 87 4.417 4.395 0.022 17414 9531 1 20 . 1 1 87 87 LEU CA C 87 54.274 54.152 0.122 17414 9532 1 20 . 1 1 87 87 LEU CB C 87 41.471 43.163 -1.692 17414 9533 1 20 . 1 1 88 88 ARG N N 88 120.899 123.249 -2.350 17414 9534 1 20 . 1 1 88 88 ARG HA H 88 4.627 4.915 -0.288 17414 9535 1 20 . 1 1 88 88 ARG CA C 88 52.594 53.866 -1.272 17414 9536 1 20 . 1 1 89 89 LYS N N 89 119.795 124.241 -4.446 17414 9537 1 20 . 1 1 89 89 LYS HA H 89 3.669 4.011 -0.342 17414 9538 1 20 . 1 1 89 89 LYS CA C 89 57.770 57.969 -0.199 17414 9539 1 20 . 1 1 90 90 GLY N N 90 115.070 112.875 2.195 17414 9540 1 20 . 1 1 90 90 GLY CA C 90 44.499 45.303 -0.804 17414 9541 1 20 . 1 1 91 91 ASP N N 91 121.652 120.983 0.669 17414 9542 1 20 . 1 1 91 91 ASP HA H 91 4.716 4.797 -0.081 17414 9543 1 20 . 1 1 91 91 ASP CA C 91 55.866 53.867 1.999 17414 9544 1 20 . 1 1 92 92 ARG N N 92 117.826 122.481 -4.655 17414 9545 1 20 . 1 1 92 92 ARG HA H 92 5.241 5.116 0.125 17414 9546 1 20 . 1 1 92 92 ARG CA C 92 54.976 55.651 -0.675 17414 9547 1 20 . 1 1 92 92 ARG CB C 92 31.655 31.810 -0.155 17414 9548 1 20 . 1 1 93 93 VAL N N 93 115.034 118.116 -3.082 17414 9549 1 20 . 1 1 93 93 VAL HA H 93 4.839 5.003 -0.164 17414 9550 1 20 . 1 1 93 93 VAL CA C 93 58.222 59.360 -1.138 17414 9551 1 20 . 1 1 94 94 ALA N N 94 126.192 124.843 1.349 17414 9552 1 20 . 1 1 94 94 ALA HA H 94 4.271 4.017 0.254 17414 9553 1 20 . 1 1 94 94 ALA CA C 94 50.975 51.834 -0.859 17414 9554 1 20 . 1 1 94 94 ALA CB C 94 18.748 18.767 -0.019 17414 9555 1 20 . 1 1 95 95 VAL N N 95 115.179 116.506 -1.327 17414 9556 1 20 . 1 1 95 95 VAL HA H 95 5.317 4.763 0.554 17414 9557 1 20 . 1 1 95 95 VAL CA C 95 57.154 58.839 -1.685 17414 9558 1 20 . 1 1 95 95 VAL CB C 95 35.186 35.435 -0.249 17414 9559 1 20 . 1 1 96 96 ARG N N 96 119.288 124.401 -5.113 17414 9560 1 20 . 1 1 96 96 ARG HA H 96 4.230 4.544 -0.314 17414 9561 1 20 . 1 1 96 96 ARG CA C 96 53.613 56.063 -2.450 17414 9562 1 20 . 1 1 96 96 ARG CB C 96 31.697 30.996 0.701 17414 9563 1 20 . 1 1 97 97 ASP N N 97 131.180 125.657 5.523 17414 9564 1 20 . 1 1 97 97 ASP HA H 97 4.415 4.782 -0.367 17414 9565 1 20 . 1 1 97 97 ASP CA C 97 53.887 53.025 0.862 17414 9566 1 20 . 1 1 97 97 ASP CB C 97 42.723 42.047 0.676 17414 9567 1 20 . 1 1 98 98 VAL N N 98 126.152 125.666 0.486 17414 9568 1 20 . 1 1 98 98 VAL HA H 98 3.489 3.765 -0.276 17414 9569 1 20 . 1 1 98 98 VAL CA C 98 64.431 66.188 -1.757 17414 9570 1 20 . 1 1 98 98 VAL CB C 98 31.047 31.289 -0.242 17414 9571 1 20 . 1 1 99 99 GLU N N 99 118.883 120.886 -2.003 17414 9572 1 20 . 1 1 99 99 GLU HA H 99 4.127 4.054 0.073 17414 9573 1 20 . 1 1 99 99 GLU CA C 99 58.178 59.066 -0.888 17414 9574 1 20 . 1 1 99 99 GLU CB C 99 29.591 29.808 -0.217 17414 9575 1 20 . 1 1 100 100 THR N N 100 106.301 107.798 -1.497 17414 9576 1 20 . 1 1 100 100 THR HA H 100 4.316 4.411 -0.095 17414 9577 1 20 . 1 1 100 100 THR CA C 100 61.407 61.988 -0.581 17414 9578 1 20 . 1 1 100 100 THR CB C 100 70.856 70.338 0.518 17414 9579 1 20 . 1 1 101 101 GLY N N 101 111.204 111.994 -0.790 17414 9580 1 20 . 1 1 101 101 GLY CA C 101 45.284 45.572 -0.288 17414 9581 1 20 . 1 1 102 102 GLU N N 102 118.458 120.588 -2.130 17414 9582 1 20 . 1 1 102 102 GLU HA H 102 4.301 4.436 -0.135 17414 9583 1 20 . 1 1 102 102 GLU CA C 102 55.160 55.905 -0.745 17414 9584 1 20 . 1 1 102 102 GLU CB C 102 31.769 31.027 0.742 17414 9585 1 20 . 1 1 103 103 LEU N N 103 121.701 120.178 1.523 17414 9586 1 20 . 1 1 103 103 LEU HA H 103 4.716 4.508 0.208 17414 9587 1 20 . 1 1 103 103 LEU CA C 103 54.930 54.052 0.878 17414 9588 1 20 . 1 1 103 103 LEU CB C 103 42.346 42.946 -0.600 17414 9589 1 20 . 1 1 104 104 ARG N N 104 127.157 120.037 7.120 17414 9590 1 20 . 1 1 104 104 ARG HA H 104 4.403 4.792 -0.389 17414 9591 1 20 . 1 1 104 104 ARG CA C 104 53.201 53.457 -0.256 17414 9592 1 20 . 1 1 104 104 ARG CB C 104 32.989 34.625 -1.636 17414 9593 1 20 . 1 1 105 105 TYR N N 105 116.202 118.043 -1.841 17414 9594 1 20 . 1 1 105 105 TYR HA H 105 5.490 5.554 -0.064 17414 9595 1 20 . 1 1 105 105 TYR CA C 105 56.831 56.851 -0.020 17414 9596 1 20 . 1 1 105 105 TYR CB C 105 40.116 41.480 -1.364 17414 9597 1 20 . 1 1 106 106 SER N N 106 118.250 114.993 3.257 17414 9598 1 20 . 1 1 106 106 SER HA H 106 4.807 5.079 -0.272 17414 9599 1 20 . 1 1 106 106 SER CA C 106 55.888 57.651 -1.763 17414 9600 1 20 . 1 1 106 106 SER CB C 106 66.301 66.938 -0.637 17414 9601 1 20 . 1 1 107 107 VAL N N 107 122.160 117.641 4.519 17414 9602 1 20 . 1 1 107 107 VAL HA H 107 4.423 4.729 -0.306 17414 9603 1 20 . 1 1 107 107 VAL CA C 107 61.369 60.270 1.099 17414 9604 1 20 . 1 1 107 107 VAL CB C 107 33.633 33.396 0.237 17414 9605 1 20 . 1 1 108 108 ILE N N 108 123.427 125.236 -1.809 17414 9606 1 20 . 1 1 108 108 ILE HA H 108 4.100 4.198 -0.098 17414 9607 1 20 . 1 1 108 108 ILE CA C 108 61.321 61.730 -0.409 17414 9608 1 20 . 1 1 108 108 ILE CB C 108 37.408 37.349 0.059 17414 9609 1 20 . 1 1 109 109 ARG N N 109 130.207 127.376 2.831 17414 9610 1 20 . 1 1 109 109 ARG HA H 109 4.254 4.249 0.005 17414 9611 1 20 . 1 1 109 109 ARG CA C 109 55.904 57.998 -2.094 17414 9612 1 20 . 1 1 110 110 GLU N N 110 116.804 117.319 -0.515 17414 9613 1 20 . 1 1 110 110 GLU HA H 110 4.274 4.619 -0.345 17414 9614 1 20 . 1 1 110 110 GLU CA C 110 55.889 56.132 -0.243 17414 9615 1 20 . 1 1 110 110 GLU CB C 110 33.186 33.552 -0.366 17414 9616 1 20 . 1 1 111 111 VAL N N 111 125.709 126.853 -1.144 17414 9617 1 20 . 1 1 111 111 VAL HA H 111 4.709 4.585 0.124 17414 9618 1 20 . 1 1 111 111 VAL CA C 111 60.903 61.542 -0.639 17414 9619 1 20 . 1 1 111 111 VAL CB C 111 31.927 33.403 -1.476 17414 9620 1 20 . 1 1 112 112 LEU N N 112 132.638 128.326 4.312 17414 9621 1 20 . 1 1 112 112 LEU HA H 112 4.741 4.838 -0.097 17414 9622 1 20 . 1 1 112 112 LEU CA C 112 52.655 51.034 1.621 17414 9623 1 20 . 1 1 112 112 LEU CB C 112 40.998 42.886 -1.888 17414 9624 1 20 . 1 1 113 113 PRO HA H 113 4.532 4.573 -0.041 17414 9625 1 20 . 1 1 113 113 PRO CA C 113 61.916 62.466 -0.550 17414 9626 1 20 . 1 1 113 113 PRO CB C 113 32.608 32.659 -0.051 17414 9627 1 20 . 1 1 114 114 THR N N 114 112.542 113.180 -0.638 17414 9628 1 20 . 1 1 114 114 THR HA H 114 4.973 4.487 0.486 17414 9629 1 20 . 1 1 114 114 THR CA C 114 61.865 61.347 0.518 17414 9630 1 20 . 1 1 114 114 THR CB C 114 69.345 70.196 -0.851 17414 9631 1 20 . 1 1 115 115 ARG N N 115 123.213 120.364 2.849 17414 9632 1 20 . 1 1 115 115 ARG HA H 115 4.694 4.910 -0.216 17414 9633 1 20 . 1 1 115 115 ARG CA C 115 54.302 54.164 0.138 17414 9634 1 20 . 1 1 115 115 ARG CB C 115 32.684 33.440 -0.756 17414 9635 1 20 . 1 1 116 116 ARG N N 116 119.004 119.403 -0.399 17414 9636 1 20 . 1 1 116 116 ARG HA H 116 4.879 5.142 -0.263 17414 9637 1 20 . 1 1 116 116 ARG CA C 116 54.554 54.708 -0.154 17414 9638 1 20 . 1 1 116 116 ARG CB C 116 30.285 34.108 -3.823 17414 9639 1 20 . 1 1 117 117 ALA N N 117 124.834 122.394 2.440 17414 9640 1 20 . 1 1 117 117 ALA HA H 117 4.599 4.766 -0.167 17414 9641 1 20 . 1 1 117 117 ALA CA C 117 50.434 51.049 -0.615 17414 9642 1 20 . 1 1 117 117 ALA CB C 117 23.139 22.844 0.295 17414 9643 1 20 . 1 1 118 118 ARG N N 118 120.885 119.254 1.631 17414 9644 1 20 . 1 1 118 118 ARG HA H 118 3.925 4.613 -0.688 17414 9645 1 20 . 1 1 118 118 ARG CA C 118 57.559 56.582 0.977 17414 9646 1 20 . 1 1 118 118 ARG CB C 118 30.409 31.169 -0.760 17414 9647 1 20 . 1 1 119 119 THR N N 119 111.492 113.719 -2.227 17414 9648 1 20 . 1 1 119 119 THR HA H 119 5.309 5.428 -0.119 17414 9649 1 20 . 1 1 119 119 THR CA C 119 60.071 59.407 0.664 17414 9650 1 20 . 1 1 119 119 THR CB C 119 72.737 71.800 0.937 17414 9651 1 20 . 1 1 120 120 PHE N N 120 113.949 119.692 -5.743 17414 9652 1 20 . 1 1 120 120 PHE HA H 120 5.311 5.302 0.009 17414 9653 1 20 . 1 1 120 120 PHE CA C 120 57.898 56.217 1.681 17414 9654 1 20 . 1 1 120 120 PHE CB C 120 46.203 43.878 2.325 17414 9655 1 20 . 1 1 121 121 ASP N N 121 118.841 120.315 -1.474 17414 9656 1 20 . 1 1 121 121 ASP HA H 121 5.352 5.129 0.223 17414 9657 1 20 . 1 1 121 121 ASP CA C 121 55.227 53.765 1.462 17414 9658 1 20 . 1 1 121 121 ASP CB C 121 47.673 45.472 2.201 17414 9659 1 20 . 1 1 122 122 LEU N N 122 118.637 125.746 -7.109 17414 9660 1 20 . 1 1 122 122 LEU HA H 122 4.809 5.106 -0.297 17414 9661 1 20 . 1 1 122 122 LEU CB C 122 45.915 44.945 0.970 17414 9662 1 20 . 1 1 123 123 GLU N N 123 118.694 124.948 -6.254 17414 9663 1 20 . 1 1 123 123 GLU HA H 123 4.515 4.538 -0.023 17414 9664 1 20 . 1 1 123 123 GLU CA C 123 54.697 55.713 -1.016 17414 9665 1 20 . 1 1 124 124 VAL N N 124 129.259 128.089 1.170 17414 9666 1 20 . 1 1 124 124 VAL HA H 124 4.065 3.972 0.093 17414 9667 1 20 . 1 1 124 124 VAL CA C 124 61.193 62.803 -1.610 17414 9668 1 20 . 1 1 124 124 VAL CB C 124 33.607 30.807 2.800 17414 9669 1 20 . 1 1 125 125 GLU N N 125 128.432 128.738 -0.306 17414 9670 1 20 . 1 1 125 125 GLU HA H 125 3.672 4.091 -0.419 17414 9671 1 20 . 1 1 125 125 GLU CA C 125 58.494 60.171 -1.677 17414 9672 1 20 . 1 1 125 125 GLU CB C 125 30.552 29.377 1.175 17414 9673 1 20 . 1 1 126 126 GLU N N 126 120.993 118.190 2.803 17414 9674 1 20 . 1 1 126 126 GLU HA H 126 3.570 4.262 -0.692 17414 9675 1 20 . 1 1 126 126 GLU CA C 126 61.229 57.194 4.035 17414 9676 1 20 . 1 1 126 126 GLU CB C 126 29.621 31.964 -2.343 17414 9677 1 20 . 1 1 127 127 LEU N N 127 120.945 121.426 -0.481 17414 9678 1 20 . 1 1 127 127 LEU HA H 127 4.205 4.377 -0.172 17414 9679 1 20 . 1 1 127 127 LEU CA C 127 55.681 53.963 1.718 17414 9680 1 20 . 1 1 128 128 HIS HA H 128 4.584 4.423 0.161 17414 9681 1 20 . 1 1 128 128 HIS CA C 128 54.566 56.555 -1.989 17414 9682 1 20 . 1 1 128 128 HIS CB C 128 26.062 29.150 -3.088 17414 9683 1 20 . 1 1 129 129 THR N N 129 105.639 114.039 -8.400 17414 9684 1 20 . 1 1 129 129 THR HA H 129 4.899 4.884 0.015 17414 9685 1 20 . 1 1 129 129 THR CA C 129 58.380 61.186 -2.806 17414 9686 1 20 . 1 1 129 129 THR CB C 129 72.980 71.068 1.912 17414 9687 1 20 . 1 1 130 130 LEU N N 130 111.598 120.717 -9.119 17414 9688 1 20 . 1 1 130 130 LEU HA H 130 5.537 5.335 0.202 17414 9689 1 20 . 1 1 130 130 LEU CA C 130 54.683 53.746 0.937 17414 9690 1 20 . 1 1 130 130 LEU CB C 130 44.277 45.314 -1.037 17414 9691 1 20 . 1 1 131 131 VAL N N 131 119.670 120.854 -1.184 17414 9692 1 20 . 1 1 131 131 VAL HA H 131 4.830 4.786 0.044 17414 9693 1 20 . 1 1 131 131 VAL CA C 131 61.285 61.153 0.132 17414 9694 1 20 . 1 1 131 131 VAL CB C 131 30.272 33.052 -2.780 17414 9695 1 20 . 1 1 132 132 ALA N N 132 134.824 129.330 5.494 17414 9696 1 20 . 1 1 132 132 ALA HA H 132 4.931 4.916 0.015 17414 9697 1 20 . 1 1 132 132 ALA CA C 132 49.999 50.656 -0.657 17414 9698 1 20 . 1 1 132 132 ALA CB C 132 21.422 21.672 -0.250 17414 9699 1 20 . 1 1 133 133 GLU N N 133 118.979 125.149 -6.170 17414 9700 1 20 . 1 1 133 133 GLU HA H 133 3.826 4.060 -0.234 17414 9701 1 20 . 1 1 133 133 GLU CA C 133 57.065 57.721 -0.656 17414 9702 1 20 . 1 1 133 133 GLU CB C 133 26.406 28.320 -1.914 17414 9703 1 20 . 1 1 134 134 GLY N N 134 100.017 104.236 -4.219 17414 9704 1 20 . 1 1 134 134 GLY CA C 134 45.352 45.494 -0.142 17414 9705 1 20 . 1 1 135 135 VAL N N 135 122.381 122.510 -0.129 17414 9706 1 20 . 1 1 135 135 VAL HA H 135 4.560 4.267 0.293 17414 9707 1 20 . 1 1 135 135 VAL CA C 135 60.885 61.762 -0.877 17414 9708 1 20 . 1 1 135 135 VAL CB C 135 32.542 33.198 -0.656 17414 9709 1 20 . 1 1 136 136 VAL N N 136 126.302 126.244 0.058 17414 9710 1 20 . 1 1 136 136 VAL HA H 136 4.254 4.772 -0.518 17414 9711 1 20 . 1 1 136 136 VAL CA C 136 63.608 61.535 2.073 17414 9712 1 20 . 1 1 136 136 VAL CB C 136 30.519 32.834 -2.315 17414 9713 1 20 . 1 1 137 137 VAL N N 137 118.757 120.675 -1.918 17414 9714 1 20 . 1 1 137 137 VAL HA H 137 5.743 5.174 0.569 17414 9715 1 20 . 1 1 137 137 VAL CA C 137 58.252 59.672 -1.420 17414 9716 1 20 . 1 1 137 137 VAL CB C 137 36.378 35.996 0.382 17414 9717 1 20 . 1 1 138 138 HIS N N 138 120.902 123.287 -2.385 17414 9718 1 20 . 1 1 138 138 HIS HA H 138 4.434 4.347 0.087 17414 9719 1 20 . 1 1 138 138 HIS CA C 138 56.439 57.232 -0.793 17414 9720 1 20 . 1 1 138 138 HIS CB C 138 30.583 29.846 0.737 17414 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entry_ID 1 1 1 "RMS(OBS, PRED)" N 130 3.39758 17414 2 1 1 "Std.dev. of prediction error" HA . 0.36687 17414 3 1 1 "Average of prediction error" HA . 0.09169 17414 4 1 1 "RMS(OBS, PRED)" HA 149 0.37823 17414 5 1 1 "Std.dev. of prediction error" CA . 1.13297 17414 6 1 1 "Average of prediction error" CA . 0.37504 17414 7 1 1 "RMS(OBS, PRED)" CA 131 1.19388 17414 8 1 1 "Std.dev. of prediction error" CB . 1.42017 17414 9 1 1 "Average of prediction error" CB . 0.45766 17414 10 1 1 "RMS(OBS, PRED)" CB 102 1.49279 17414 11 1 2 "RMS(OBS, PRED)" N 130 3.60535 17414 12 1 2 "RMS(OBS, PRED)" HA 149 0.38010 17414 13 1 2 "Std.dev. of prediction error" CA . 1.16198 17414 14 1 2 "Average of prediction error" CA . 0.38786 17414 15 1 2 "RMS(OBS, PRED)" CA 131 1.22548 17414 16 1 2 "RMS(OBS, PRED)" CB 102 1.50426 17414 17 1 3 "RMS(OBS, PRED)" N 130 3.38886 17414 18 1 3 "Std.dev. of prediction error" HA . 0.35241 17414 19 1 3 "Average of prediction error" HA . 0.10416 17414 20 1 3 "RMS(OBS, PRED)" HA 149 0.36758 17414 21 1 3 "Std.dev. of prediction error" CA . 1.07407 17414 22 1 3 "Average of prediction error" CA . 0.32595 17414 23 1 3 "RMS(OBS, PRED)" CA 131 1.12280 17414 24 1 3 "RMS(OBS, PRED)" CB 102 1.44459 17414 25 1 4 "RMS(OBS, PRED)" N 130 3.36546 17414 26 1 4 "RMS(OBS, PRED)" HA 149 0.37202 17414 27 1 4 "Std.dev. of prediction error" CA . 1.11200 17414 28 1 4 "Average of prediction error" CA . 0.38188 17414 29 1 4 "RMS(OBS, PRED)" CA 131 1.17622 17414 30 1 4 "Std.dev. of prediction error" CB . 1.43104 17414 31 1 4 "Average of prediction error" CB . 0.47961 17414 32 1 4 "RMS(OBS, PRED)" CB 102 1.51002 17414 33 1 5 "RMS(OBS, PRED)" N 130 3.64011 17414 34 1 5 "Std.dev. of prediction error" HA . 0.37064 17414 35 1 5 "Average of prediction error" HA . 0.09122 17414 36 1 5 "RMS(OBS, PRED)" HA 149 0.38177 17414 37 1 5 "Std.dev. of prediction error" CA . 1.08488 17414 38 1 5 "Average of prediction error" CA . 0.38490 17414 39 1 5 "RMS(OBS, PRED)" CA 131 1.15163 17414 40 1 5 "RMS(OBS, PRED)" CB 102 1.44997 17414 41 1 6 "RMS(OBS, PRED)" N 130 3.40524 17414 42 1 6 "Std.dev. of prediction error" HA . 0.36296 17414 43 1 6 "Average of prediction error" HA . 0.09854 17414 44 1 6 "RMS(OBS, PRED)" HA 149 0.37619 17414 45 1 6 "Std.dev. of prediction error" CA . 1.03447 17414 46 1 6 "Average of prediction error" CA . 0.34005 17414 47 1 6 "RMS(OBS, PRED)" CA 131 1.08934 17414 48 1 6 "RMS(OBS, PRED)" CB 102 1.51723 17414 49 1 7 "RMS(OBS, PRED)" N 130 3.51227 17414 50 1 7 "RMS(OBS, PRED)" HA 149 0.37811 17414 51 1 7 "Std.dev. of prediction error" CA . 1.10947 17414 52 1 7 "Average of prediction error" CA . 0.35633 17414 53 1 7 "RMS(OBS, PRED)" CA 131 1.16570 17414 54 1 7 "RMS(OBS, PRED)" CB 102 1.48253 17414 55 1 8 "RMS(OBS, PRED)" N 130 3.55257 17414 56 1 8 "Std.dev. of prediction error" HA . 0.38588 17414 57 1 8 "Average of prediction error" HA . 0.10918 17414 58 1 8 "RMS(OBS, PRED)" HA 149 0.40113 17414 59 1 8 "Std.dev. of prediction error" CA . 1.10943 17414 60 1 8 "Average of prediction error" CA . 0.36216 17414 61 1 8 "RMS(OBS, PRED)" CA 131 1.16748 17414 62 1 8 "RMS(OBS, PRED)" CB 102 1.44376 17414 63 1 9 "RMS(OBS, PRED)" N 130 3.48189 17414 64 1 9 "RMS(OBS, PRED)" HA 149 0.36063 17414 65 1 9 "Std.dev. of prediction error" CA . 1.07707 17414 66 1 9 "Average of prediction error" CA . 0.37708 17414 67 1 9 "RMS(OBS, PRED)" CA 131 1.14165 17414 68 1 9 "Std.dev. of prediction error" CB . 1.45361 17414 69 1 9 "Average of prediction error" CB . 0.43564 17414 70 1 9 "RMS(OBS, PRED)" CB 102 1.51811 17414 71 1 10 "RMS(OBS, PRED)" N 130 3.35050 17414 72 1 10 "Std.dev. of prediction error" HA . 0.36624 17414 73 1 10 "Average of prediction error" HA . 0.10188 17414 74 1 10 "RMS(OBS, PRED)" HA 149 0.38024 17414 75 1 10 "Std.dev. of prediction error" CA . 1.06018 17414 76 1 10 "Average of prediction error" CA . 0.39050 17414 77 1 10 "RMS(OBS, PRED)" CA 131 1.13033 17414 78 1 10 "Std.dev. of prediction error" CB . 1.39173 17414 79 1 10 "Average of prediction error" CB . 0.41598 17414 80 1 10 "RMS(OBS, PRED)" CB 102 1.45316 17414 81 1 11 "RMS(OBS, PRED)" N 130 3.48393 17414 82 1 11 "Std.dev. of prediction error" HA . 0.38026 17414 83 1 11 "Average of prediction error" HA . 0.09775 17414 84 1 11 "RMS(OBS, PRED)" HA 149 0.39270 17414 85 1 11 "Std.dev. of prediction error" CA . 1.08097 17414 86 1 11 "Average of prediction error" CA . 0.36633 17414 87 1 11 "RMS(OBS, PRED)" CA 131 1.14181 17414 88 1 11 "RMS(OBS, PRED)" CB 102 1.41610 17414 89 1 12 "RMS(OBS, PRED)" N 130 3.59109 17414 90 1 12 "Std.dev. of prediction error" HA . 0.37555 17414 91 1 12 "Average of prediction error" HA . 0.12826 17414 92 1 12 "RMS(OBS, PRED)" HA 149 0.39699 17414 93 1 12 "Std.dev. of prediction error" CA . 1.09531 17414 94 1 12 "Average of prediction error" CA . 0.28755 17414 95 1 12 "RMS(OBS, PRED)" CA 131 1.13270 17414 96 1 12 "RMS(OBS, PRED)" CB 102 1.49647 17414 97 1 13 "RMS(OBS, PRED)" N 130 3.65033 17414 98 1 13 "Std.dev. of prediction error" HA . 0.34673 17414 99 1 13 "Average of prediction error" HA . 0.09774 17414 100 1 13 "RMS(OBS, PRED)" HA 149 0.36033 17414 101 1 13 "Std.dev. of prediction error" CA . 1.09200 17414 102 1 13 "Average of prediction error" CA . 0.37258 17414 103 1 13 "RMS(OBS, PRED)" CA 131 1.15428 17414 104 1 13 "RMS(OBS, PRED)" CB 102 1.37768 17414 105 1 14 "RMS(OBS, PRED)" N 130 3.57126 17414 106 1 14 "Std.dev. of prediction error" HA . 0.36368 17414 107 1 14 "Average of prediction error" HA . 0.10002 17414 108 1 14 "RMS(OBS, PRED)" HA 149 0.37728 17414 109 1 14 "Std.dev. of prediction error" CA . 1.08701 17414 110 1 14 "Average of prediction error" CA . 0.33713 17414 111 1 14 "RMS(OBS, PRED)" CA 131 1.13848 17414 112 1 14 "RMS(OBS, PRED)" CB 102 1.45790 17414 113 1 15 "RMS(OBS, PRED)" N 130 3.58867 17414 114 1 15 "Std.dev. of prediction error" HA . 0.37460 17414 115 1 15 "Average of prediction error" HA . 0.10145 17414 116 1 15 "RMS(OBS, PRED)" HA 149 0.38819 17414 117 1 15 "Std.dev. of prediction error" CA . 1.10536 17414 118 1 15 "Average of prediction error" CA . 0.38242 17414 119 1 15 "RMS(OBS, PRED)" CA 131 1.17013 17414 120 1 15 "RMS(OBS, PRED)" CB 102 1.45369 17414 121 1 16 "RMS(OBS, PRED)" N 130 3.84962 17414 122 1 16 "RMS(OBS, PRED)" HA 149 0.44180 17414 123 1 16 "Std.dev. of prediction error" CA . 1.13121 17414 124 1 16 "Average of prediction error" CA . 0.39883 17414 125 1 16 "RMS(OBS, PRED)" CA 131 1.19997 17414 126 1 16 "RMS(OBS, PRED)" CB 102 1.53217 17414 127 1 17 "RMS(OBS, PRED)" N 130 3.41730 17414 128 1 17 "RMS(OBS, PRED)" HA 149 0.41229 17414 129 1 17 "Std.dev. of prediction error" CA . 1.10579 17414 130 1 17 "Average of prediction error" CA . 0.42397 17414 131 1 17 "RMS(OBS, PRED)" CA 131 1.18486 17414 132 1 17 "Std.dev. of prediction error" CB . 1.44606 17414 133 1 17 "Average of prediction error" CB . 0.45333 17414 134 1 17 "RMS(OBS, PRED)" CB 102 1.51613 17414 135 1 18 "RMS(OBS, PRED)" N 130 3.49281 17414 136 1 18 "Std.dev. of prediction error" HA . 0.36990 17414 137 1 18 "Average of prediction error" HA . 0.09498 17414 138 1 18 "RMS(OBS, PRED)" HA 149 0.38198 17414 139 1 18 "Std.dev. of prediction error" CA . 1.22651 17414 140 1 18 "Average of prediction error" CA . 0.35684 17414 141 1 18 "RMS(OBS, PRED)" CA 131 1.27774 17414 142 1 18 "RMS(OBS, PRED)" CB 102 1.55909 17414 143 1 19 "RMS(OBS, PRED)" N 130 3.40924 17414 144 1 19 "Std.dev. of prediction error" HA . 0.35295 17414 145 1 19 "Average of prediction error" HA . 0.09649 17414 146 1 19 "RMS(OBS, PRED)" HA 149 0.36599 17414 147 1 19 "Std.dev. of prediction error" CA . 1.08534 17414 148 1 19 "Average of prediction error" CA . 0.33723 17414 149 1 19 "RMS(OBS, PRED)" CA 131 1.13691 17414 150 1 19 "RMS(OBS, PRED)" CB 102 1.43380 17414 151 1 20 "RMS(OBS, PRED)" N 130 3.75735 17414 152 1 20 "RMS(OBS, PRED)" HA 149 0.39708 17414 153 1 20 "Std.dev. of prediction error" CA . 1.17441 17414 154 1 20 "Average of prediction error" CA . 0.44087 17414 155 1 20 "RMS(OBS, PRED)" CA 131 1.25503 17414 156 1 20 "RMS(OBS, PRED)" CB 102 1.46844 17414 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 17414 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 2 . 1 1 2 2 LEU N N 2 122.945 122.635 0.310 17414 2 2 . 1 1 2 2 LEU HA H 2 5.005 5.010 -0.005 17414 3 2 . 1 1 2 2 LEU CA C 2 53.355 53.551 -0.196 17414 4 2 . 1 1 2 2 LEU CB C 2 43.858 44.139 -0.281 17414 5 2 . 1 1 3 3 ALA N N 3 121.232 127.142 -5.910 17414 6 2 . 1 1 3 3 ALA HA H 3 4.730 4.703 0.027 17414 7 2 . 1 1 3 3 ALA CA C 3 52.302 51.624 0.678 17414 8 2 . 1 1 3 3 ALA CB C 3 21.769 19.947 1.822 17414 9 2 . 1 1 4 4 GLU N N 4 121.283 121.558 -0.275 17414 10 2 . 1 1 4 4 GLU HA H 4 4.074 4.067 0.007 17414 11 2 . 1 1 4 4 GLU CA C 4 57.136 58.492 -1.356 17414 12 2 . 1 1 4 4 GLU CB C 4 31.847 29.552 2.295 17414 13 2 . 1 1 5 5 GLY N N 5 119.858 114.626 5.232 17414 14 2 . 1 1 5 5 GLY CA C 5 44.157 45.188 -1.031 17414 15 2 . 1 1 6 6 THR N N 6 117.099 116.660 0.439 17414 16 2 . 1 1 6 6 THR HA H 6 4.301 4.219 0.082 17414 17 2 . 1 1 6 6 THR CA C 6 65.228 63.821 1.407 17414 18 2 . 1 1 6 6 THR CB C 6 68.654 69.153 -0.499 17414 19 2 . 1 1 7 7 ARG N N 7 130.107 127.317 2.790 17414 20 2 . 1 1 7 7 ARG HA H 7 4.878 4.730 0.148 17414 21 2 . 1 1 7 7 ARG CA C 7 55.868 56.103 -0.235 17414 22 2 . 1 1 8 8 ILE N N 8 123.872 123.232 0.640 17414 23 2 . 1 1 8 8 ILE HA H 8 4.531 4.697 -0.166 17414 24 2 . 1 1 8 8 ILE CA C 8 59.240 60.404 -1.164 17414 25 2 . 1 1 8 8 ILE CB C 8 40.450 40.042 0.408 17414 26 2 . 1 1 9 9 PHE N N 9 129.317 129.512 -0.195 17414 27 2 . 1 1 9 9 PHE HA H 9 4.832 4.829 0.003 17414 28 2 . 1 1 9 9 PHE CA C 9 56.960 58.181 -1.221 17414 29 2 . 1 1 9 9 PHE CB C 9 40.542 39.928 0.614 17414 30 2 . 1 1 10 10 ASP N N 10 128.073 127.611 0.462 17414 31 2 . 1 1 10 10 ASP HA H 10 5.529 5.012 0.517 17414 32 2 . 1 1 10 10 ASP CA C 10 49.160 49.783 -0.623 17414 33 2 . 1 1 10 10 ASP CB C 10 43.037 42.306 0.731 17414 34 2 . 1 1 11 11 PRO HA H 11 3.974 4.438 -0.464 17414 35 2 . 1 1 11 11 PRO CA C 11 62.348 64.841 -2.493 17414 36 2 . 1 1 11 11 PRO CB C 11 30.977 32.135 -1.158 17414 37 2 . 1 1 12 12 VAL N N 12 124.105 116.392 7.713 17414 38 2 . 1 1 12 12 VAL HA H 12 3.591 3.681 -0.090 17414 39 2 . 1 1 12 12 VAL CA C 12 64.849 65.665 -0.816 17414 40 2 . 1 1 13 13 THR N N 13 107.133 110.591 -3.458 17414 41 2 . 1 1 13 13 THR HA H 13 4.228 4.245 -0.017 17414 42 2 . 1 1 13 13 THR CA C 13 60.944 63.167 -2.223 17414 43 2 . 1 1 13 13 THR CB C 13 69.447 70.058 -0.611 17414 44 2 . 1 1 14 14 GLY N N 14 112.897 111.036 1.861 17414 45 2 . 1 1 14 14 GLY CA C 14 45.650 45.634 0.016 17414 46 2 . 1 1 15 15 THR N N 15 117.286 115.643 1.643 17414 47 2 . 1 1 15 15 THR HA H 15 4.276 4.674 -0.398 17414 48 2 . 1 1 15 15 THR CA C 15 61.382 60.788 0.594 17414 49 2 . 1 1 15 15 THR CB C 15 70.037 71.244 -1.207 17414 50 2 . 1 1 16 16 THR N N 16 120.518 118.485 2.033 17414 51 2 . 1 1 16 16 THR HA H 16 4.911 4.652 0.259 17414 52 2 . 1 1 16 16 THR CA C 16 62.321 62.248 0.073 17414 53 2 . 1 1 16 16 THR CB C 16 69.184 69.271 -0.087 17414 54 2 . 1 1 17 17 HIS N N 17 127.011 126.071 0.940 17414 55 2 . 1 1 17 17 HIS HA H 17 4.586 5.103 -0.517 17414 56 2 . 1 1 17 17 HIS CA C 17 54.406 54.528 -0.122 17414 57 2 . 1 1 17 17 HIS CB C 17 35.299 32.380 2.919 17414 58 2 . 1 1 18 18 ARG N N 18 120.890 122.439 -1.549 17414 59 2 . 1 1 18 18 ARG HA H 18 4.679 4.500 0.179 17414 60 2 . 1 1 18 18 ARG CA C 18 54.802 55.256 -0.454 17414 61 2 . 1 1 18 18 ARG CB C 18 29.657 31.718 -2.061 17414 62 2 . 1 1 19 19 ILE N N 19 125.005 126.712 -1.707 17414 63 2 . 1 1 19 19 ILE HA H 19 3.696 3.844 -0.148 17414 64 2 . 1 1 19 19 ILE CA C 19 66.021 64.075 1.946 17414 65 2 . 1 1 19 19 ILE CB C 19 37.936 37.747 0.189 17414 66 2 . 1 1 20 20 GLU N N 20 123.813 119.773 4.040 17414 67 2 . 1 1 20 20 GLU HA H 20 2.787 3.546 -0.759 17414 68 2 . 1 1 20 20 GLU CA C 20 57.675 58.879 -1.204 17414 69 2 . 1 1 20 20 GLU CB C 20 28.945 28.971 -0.026 17414 70 2 . 1 1 21 21 ASP N N 21 123.330 120.323 3.007 17414 71 2 . 1 1 21 21 ASP HA H 21 4.489 4.390 0.099 17414 72 2 . 1 1 21 21 ASP CA C 21 55.734 56.626 -0.892 17414 73 2 . 1 1 21 21 ASP CB C 21 40.038 40.808 -0.770 17414 74 2 . 1 1 22 22 VAL N N 22 121.407 119.929 1.478 17414 75 2 . 1 1 22 22 VAL HA H 22 3.303 3.536 -0.233 17414 76 2 . 1 1 22 22 VAL CA C 22 65.768 66.430 -0.662 17414 77 2 . 1 1 22 22 VAL CB C 22 31.327 31.513 -0.186 17414 78 2 . 1 1 23 23 VAL N N 23 116.800 120.582 -3.782 17414 79 2 . 1 1 23 23 VAL HA H 23 3.928 3.716 0.212 17414 80 2 . 1 1 23 23 VAL CA C 23 66.310 66.364 -0.054 17414 81 2 . 1 1 24 24 GLY N N 24 120.577 108.315 12.262 17414 82 2 . 1 1 25 25 GLY N N 25 103.034 108.258 -5.224 17414 83 2 . 1 1 25 25 GLY CA C 25 43.755 44.829 -1.074 17414 84 2 . 1 1 26 26 ARG N N 26 122.306 115.660 6.646 17414 85 2 . 1 1 26 26 ARG HA H 26 1.544 3.169 -1.625 17414 86 2 . 1 1 26 26 ARG CA C 26 55.119 56.288 -1.169 17414 87 2 . 1 1 26 26 ARG CB C 26 26.620 27.799 -1.179 17414 88 2 . 1 1 27 27 LYS N N 27 115.887 119.300 -3.413 17414 89 2 . 1 1 27 27 LYS HA H 27 4.168 4.441 -0.273 17414 90 2 . 1 1 27 27 LYS CB C 27 33.503 32.835 0.668 17414 91 2 . 1 1 28 28 PRO HA H 28 5.145 4.780 0.365 17414 92 2 . 1 1 28 28 PRO CA C 28 61.507 63.056 -1.549 17414 93 2 . 1 1 28 28 PRO CB C 28 27.787 30.868 -3.081 17414 94 2 . 1 1 29 29 ILE N N 29 116.657 119.607 -2.950 17414 95 2 . 1 1 29 29 ILE HA H 29 4.443 4.615 -0.172 17414 96 2 . 1 1 29 29 ILE CA C 29 60.723 60.289 0.434 17414 97 2 . 1 1 29 29 ILE CB C 29 38.563 39.717 -1.154 17414 98 2 . 1 1 30 30 HIS N N 30 118.274 119.736 -1.462 17414 99 2 . 1 1 30 30 HIS HA H 30 5.152 5.296 -0.144 17414 100 2 . 1 1 30 30 HIS CA C 30 55.902 54.441 1.461 17414 101 2 . 1 1 30 30 HIS CB C 30 30.925 33.541 -2.616 17414 102 2 . 1 1 31 31 VAL N N 31 107.262 116.208 -8.946 17414 103 2 . 1 1 31 31 VAL HA H 31 5.212 4.850 0.362 17414 104 2 . 1 1 31 31 VAL CA C 31 57.692 59.283 -1.591 17414 105 2 . 1 1 31 31 VAL CB C 31 34.153 36.160 -2.007 17414 106 2 . 1 1 32 32 VAL N N 32 119.900 122.728 -2.828 17414 107 2 . 1 1 32 32 VAL HA H 32 4.246 4.554 -0.308 17414 108 2 . 1 1 32 32 VAL CA C 32 62.504 62.043 0.461 17414 109 2 . 1 1 33 33 ALA N N 33 128.967 130.071 -1.104 17414 110 2 . 1 1 33 33 ALA HA H 33 4.522 5.311 -0.789 17414 111 2 . 1 1 33 33 ALA CA C 33 49.594 50.225 -0.631 17414 112 2 . 1 1 33 33 ALA CB C 33 23.635 22.709 0.926 17414 113 2 . 1 1 34 34 ALA N N 34 121.236 121.266 -0.030 17414 114 2 . 1 1 34 34 ALA HA H 34 5.207 5.384 -0.177 17414 115 2 . 1 1 34 34 ALA CA C 34 49.704 50.455 -0.751 17414 116 2 . 1 1 35 35 ALA N N 35 125.943 123.091 2.852 17414 117 2 . 1 1 35 35 ALA HA H 35 4.633 4.731 -0.098 17414 118 2 . 1 1 35 35 ALA CA C 35 50.168 49.925 0.243 17414 119 2 . 1 1 35 35 ALA CB C 35 20.121 21.640 -1.519 17414 120 2 . 1 1 36 36 LYS N N 36 121.159 117.815 3.344 17414 121 2 . 1 1 36 36 LYS HA H 36 4.272 4.141 0.131 17414 122 2 . 1 1 36 36 LYS CA C 36 58.723 58.609 0.114 17414 123 2 . 1 1 37 37 ASP N N 37 115.815 117.124 -1.309 17414 124 2 . 1 1 37 37 ASP HA H 37 4.526 4.673 -0.147 17414 125 2 . 1 1 37 37 ASP CA C 37 52.534 54.038 -1.504 17414 126 2 . 1 1 37 37 ASP CB C 37 39.654 41.307 -1.653 17414 127 2 . 1 1 38 38 GLY N N 38 107.649 108.154 -0.505 17414 128 2 . 1 1 38 38 GLY CA C 38 45.025 45.586 -0.561 17414 129 2 . 1 1 39 39 THR N N 39 110.428 113.013 -2.585 17414 130 2 . 1 1 39 39 THR HA H 39 4.265 4.451 -0.186 17414 131 2 . 1 1 39 39 THR CA C 39 60.883 60.894 -0.011 17414 132 2 . 1 1 39 39 THR CB C 39 70.144 70.644 -0.500 17414 133 2 . 1 1 40 40 LEU N N 40 120.829 124.954 -4.125 17414 134 2 . 1 1 40 40 LEU HA H 40 5.312 5.264 0.048 17414 135 2 . 1 1 40 40 LEU CA C 40 53.146 54.023 -0.877 17414 136 2 . 1 1 40 40 LEU CB C 40 41.870 43.296 -1.426 17414 137 2 . 1 1 41 41 HIS N N 41 120.175 122.292 -2.117 17414 138 2 . 1 1 41 41 HIS HA H 41 4.622 5.128 -0.506 17414 139 2 . 1 1 41 41 HIS CA C 41 54.675 54.807 -0.132 17414 140 2 . 1 1 41 41 HIS CB C 41 35.374 33.521 1.853 17414 141 2 . 1 1 42 42 ALA N N 42 125.084 126.643 -1.559 17414 142 2 . 1 1 42 42 ALA HA H 42 5.530 4.505 1.025 17414 143 2 . 1 1 42 42 ALA CA C 42 50.934 52.292 -1.358 17414 144 2 . 1 1 42 42 ALA CB C 42 18.920 19.534 -0.614 17414 145 2 . 1 1 43 43 ARG N N 43 124.440 121.494 2.946 17414 146 2 . 1 1 43 43 ARG HA H 43 5.177 4.853 0.324 17414 147 2 . 1 1 43 43 ARG CA C 43 50.736 52.719 -1.983 17414 148 2 . 1 1 43 43 ARG CB C 43 35.105 33.070 2.035 17414 149 2 . 1 1 44 44 PRO HA H 44 4.506 4.174 0.332 17414 150 2 . 1 1 44 44 PRO CA C 44 61.661 62.055 -0.394 17414 151 2 . 1 1 44 44 PRO CB C 44 32.437 32.143 0.294 17414 152 2 . 1 1 45 45 VAL N N 45 119.113 120.561 -1.448 17414 153 2 . 1 1 45 45 VAL HA H 45 4.195 4.183 0.012 17414 154 2 . 1 1 45 45 VAL CA C 45 61.770 61.543 0.227 17414 155 2 . 1 1 45 45 VAL CB C 45 32.099 32.808 -0.709 17414 156 2 . 1 1 46 46 VAL N N 46 114.811 120.621 -5.810 17414 157 2 . 1 1 46 46 VAL HA H 46 4.117 4.288 -0.171 17414 158 2 . 1 1 46 46 VAL CA C 46 59.689 61.082 -1.393 17414 159 2 . 1 1 46 46 VAL CB C 46 33.207 33.161 0.046 17414 160 2 . 1 1 47 47 SER N N 47 113.271 113.820 -0.549 17414 161 2 . 1 1 47 47 SER HA H 47 3.992 4.210 -0.218 17414 162 2 . 1 1 47 47 SER CA C 47 56.916 56.711 0.205 17414 163 2 . 1 1 47 47 SER CB C 47 65.285 65.475 -0.190 17414 164 2 . 1 1 48 48 TRP N N 48 120.998 124.471 -3.473 17414 165 2 . 1 1 48 48 TRP HA H 48 4.518 5.231 -0.713 17414 166 2 . 1 1 48 48 TRP CA C 48 58.275 55.878 2.397 17414 167 2 . 1 1 48 48 TRP CB C 48 32.474 32.012 0.462 17414 168 2 . 1 1 49 49 PHE N N 49 120.098 122.129 -2.031 17414 169 2 . 1 1 49 49 PHE HA H 49 5.159 5.113 0.046 17414 170 2 . 1 1 49 49 PHE CA C 49 55.741 56.299 -0.558 17414 171 2 . 1 1 49 49 PHE CB C 49 40.992 43.256 -2.264 17414 172 2 . 1 1 50 50 ASP N N 50 127.259 122.732 4.527 17414 173 2 . 1 1 50 50 ASP HA H 50 4.829 5.253 -0.424 17414 174 2 . 1 1 50 50 ASP CA C 50 53.464 53.230 0.234 17414 175 2 . 1 1 50 50 ASP CB C 50 40.713 42.626 -1.913 17414 176 2 . 1 1 51 51 GLN N N 51 123.758 121.960 1.798 17414 177 2 . 1 1 51 51 GLN HA H 51 4.902 4.515 0.387 17414 178 2 . 1 1 51 51 GLN CA C 51 55.613 55.738 -0.125 17414 179 2 . 1 1 52 52 GLY N N 52 108.682 107.325 1.357 17414 180 2 . 1 1 52 52 GLY CA C 52 44.063 44.775 -0.712 17414 181 2 . 1 1 53 53 THR N N 53 118.925 115.456 3.469 17414 182 2 . 1 1 53 53 THR HA H 53 4.734 4.768 -0.034 17414 183 2 . 1 1 53 53 THR CA C 53 62.734 63.023 -0.288 17414 184 2 . 1 1 53 53 THR CB C 53 67.881 69.240 -1.359 17414 185 2 . 1 1 54 54 ARG N N 54 125.981 124.077 1.904 17414 186 2 . 1 1 54 54 ARG HA H 54 4.677 4.892 -0.215 17414 187 2 . 1 1 54 54 ARG CA C 54 53.580 54.044 -0.464 17414 188 2 . 1 1 54 54 ARG CB C 54 35.619 34.519 1.100 17414 189 2 . 1 1 55 55 ASP N N 55 119.621 120.988 -1.367 17414 190 2 . 1 1 55 55 ASP HA H 55 4.973 5.223 -0.250 17414 191 2 . 1 1 55 55 ASP CA C 55 54.236 54.423 -0.187 17414 192 2 . 1 1 55 55 ASP CB C 55 40.704 41.413 -0.709 17414 193 2 . 1 1 56 56 VAL N N 56 114.565 118.276 -3.711 17414 194 2 . 1 1 56 56 VAL HA H 56 4.804 4.953 -0.149 17414 195 2 . 1 1 56 56 VAL CA C 56 58.672 59.336 -0.664 17414 196 2 . 1 1 56 56 VAL CB C 56 34.813 35.936 -1.123 17414 197 2 . 1 1 57 57 ILE N N 57 114.855 121.565 -6.710 17414 198 2 . 1 1 57 57 ILE HA H 57 4.740 5.023 -0.283 17414 199 2 . 1 1 57 57 ILE CA C 57 58.799 59.443 -0.644 17414 200 2 . 1 1 57 57 ILE CB C 57 41.197 40.020 1.177 17414 201 2 . 1 1 58 58 GLY N N 58 107.378 109.311 -1.933 17414 202 2 . 1 1 58 58 GLY CA C 58 43.036 43.410 -0.374 17414 203 2 . 1 1 59 59 LEU N N 59 124.061 125.077 -1.016 17414 204 2 . 1 1 59 59 LEU HA H 59 4.677 4.759 -0.082 17414 205 2 . 1 1 59 59 LEU CA C 59 52.282 53.662 -1.380 17414 206 2 . 1 1 59 59 LEU CB C 59 42.668 43.187 -0.519 17414 207 2 . 1 1 60 60 ARG N N 60 124.178 125.225 -1.047 17414 208 2 . 1 1 60 60 ARG HA H 60 4.799 4.677 0.122 17414 209 2 . 1 1 61 61 ILE N N 61 128.222 127.681 0.541 17414 210 2 . 1 1 61 61 ILE HA H 61 4.492 4.440 0.052 17414 211 2 . 1 1 61 61 ILE CA C 61 58.741 60.127 -1.386 17414 212 2 . 1 1 61 61 ILE CB C 61 37.622 38.731 -1.109 17414 213 2 . 1 1 62 62 ALA N N 62 128.005 131.555 -3.550 17414 214 2 . 1 1 62 62 ALA HA H 62 4.108 3.982 0.126 17414 215 2 . 1 1 62 62 ALA CA C 62 54.129 53.387 0.742 17414 216 2 . 1 1 62 62 ALA CB C 62 18.002 18.019 -0.017 17414 217 2 . 1 1 63 63 GLY CA C 63 44.912 45.587 -0.675 17414 218 2 . 1 1 64 64 GLY N N 64 107.906 108.365 -0.459 17414 219 2 . 1 1 64 64 GLY CA C 64 44.751 46.183 -1.432 17414 220 2 . 1 1 65 65 ALA N N 65 125.759 123.560 2.199 17414 221 2 . 1 1 65 65 ALA HA H 65 4.394 4.692 -0.298 17414 222 2 . 1 1 65 65 ALA CA C 65 51.764 51.293 0.471 17414 223 2 . 1 1 65 65 ALA CB C 65 19.458 21.295 -1.837 17414 224 2 . 1 1 66 66 ILE N N 66 118.136 118.720 -0.584 17414 225 2 . 1 1 66 66 ILE HA H 66 4.705 5.032 -0.327 17414 226 2 . 1 1 66 66 ILE CA C 66 59.670 59.448 0.222 17414 227 2 . 1 1 66 66 ILE CB C 66 40.415 42.010 -1.595 17414 228 2 . 1 1 67 67 LEU N N 67 127.715 126.899 0.816 17414 229 2 . 1 1 67 67 LEU HA H 67 4.728 5.032 -0.304 17414 230 2 . 1 1 67 67 LEU CA C 67 53.331 53.329 0.002 17414 231 2 . 1 1 67 67 LEU CB C 67 44.102 45.425 -1.323 17414 232 2 . 1 1 68 68 TRP N N 68 129.332 128.386 0.946 17414 233 2 . 1 1 68 68 TRP HA H 68 5.672 5.454 0.218 17414 234 2 . 1 1 68 68 TRP CA C 68 54.812 55.955 -1.143 17414 235 2 . 1 1 68 68 TRP CB C 68 29.742 30.943 -1.201 17414 236 2 . 1 1 69 69 ALA N N 69 124.233 124.248 -0.015 17414 237 2 . 1 1 69 69 ALA HA H 69 5.243 4.986 0.257 17414 238 2 . 1 1 69 69 ALA CA C 69 49.203 51.120 -1.917 17414 239 2 . 1 1 69 69 ALA CB C 69 22.138 23.404 -1.266 17414 240 2 . 1 1 70 70 THR N N 70 111.459 110.877 0.582 17414 241 2 . 1 1 70 70 THR HA H 70 5.152 4.866 0.286 17414 242 2 . 1 1 70 70 THR CA C 70 60.495 60.338 0.157 17414 243 2 . 1 1 70 70 THR CB C 70 67.570 68.982 -1.412 17414 244 2 . 1 1 71 71 PRO HA H 71 4.165 4.528 -0.363 17414 245 2 . 1 1 71 71 PRO CA C 71 64.390 64.951 -0.561 17414 246 2 . 1 1 72 72 ASP N N 72 112.234 116.690 -4.456 17414 247 2 . 1 1 72 72 ASP HA H 72 4.505 4.721 -0.216 17414 248 2 . 1 1 72 72 ASP CA C 72 52.827 54.447 -1.620 17414 249 2 . 1 1 73 73 HIS N N 73 125.389 120.770 4.619 17414 250 2 . 1 1 73 73 HIS HA H 73 3.796 4.541 -0.745 17414 251 2 . 1 1 73 73 HIS CA C 73 58.310 56.865 1.445 17414 252 2 . 1 1 73 73 HIS CB C 73 32.385 30.587 1.798 17414 253 2 . 1 1 74 74 LYS N N 74 127.412 125.632 1.780 17414 254 2 . 1 1 74 74 LYS HA H 74 4.661 4.634 0.027 17414 255 2 . 1 1 74 74 LYS CA C 74 56.845 56.123 0.722 17414 256 2 . 1 1 75 75 VAL N N 75 125.726 124.755 0.971 17414 257 2 . 1 1 75 75 VAL HA H 75 4.754 4.757 -0.003 17414 258 2 . 1 1 75 75 VAL CA C 75 60.739 61.437 -0.698 17414 259 2 . 1 1 75 75 VAL CB C 75 35.276 33.250 2.026 17414 260 2 . 1 1 76 76 LEU N N 76 129.759 129.914 -0.155 17414 261 2 . 1 1 76 76 LEU HA H 76 3.514 4.108 -0.594 17414 262 2 . 1 1 76 76 LEU CA C 76 55.222 54.808 0.414 17414 263 2 . 1 1 76 76 LEU CB C 76 39.052 42.177 -3.125 17414 264 2 . 1 1 77 77 THR N N 77 116.138 118.065 -1.927 17414 265 2 . 1 1 77 77 THR HA H 77 5.295 4.811 0.484 17414 266 2 . 1 1 77 77 THR CA C 77 59.543 60.352 -0.809 17414 267 2 . 1 1 78 78 GLU N N 78 119.986 120.214 -0.228 17414 268 2 . 1 1 78 78 GLU HA H 78 3.558 3.860 -0.302 17414 269 2 . 1 1 78 78 GLU CA C 78 57.551 58.359 -0.808 17414 270 2 . 1 1 78 78 GLU CB C 78 28.385 28.644 -0.259 17414 271 2 . 1 1 79 79 TYR N N 79 117.251 118.454 -1.203 17414 272 2 . 1 1 79 79 TYR HA H 79 4.749 4.565 0.184 17414 273 2 . 1 1 79 79 TYR CA C 79 55.553 58.091 -2.538 17414 274 2 . 1 1 79 79 TYR CB C 79 37.935 39.004 -1.069 17414 275 2 . 1 1 80 80 GLY N N 80 106.884 107.349 -0.465 17414 276 2 . 1 1 80 80 GLY CA C 80 42.757 44.317 -1.560 17414 277 2 . 1 1 81 81 TRP N N 81 125.593 122.889 2.704 17414 278 2 . 1 1 81 81 TRP HA H 81 4.884 5.077 -0.193 17414 279 2 . 1 1 81 81 TRP CA C 81 57.790 57.738 0.052 17414 280 2 . 1 1 81 81 TRP CB C 81 29.255 30.525 -1.270 17414 281 2 . 1 1 82 82 ARG N N 82 124.625 122.992 1.633 17414 282 2 . 1 1 82 82 ARG HA H 82 4.773 5.007 -0.234 17414 283 2 . 1 1 82 82 ARG CA C 82 53.895 54.169 -0.274 17414 284 2 . 1 1 83 83 ALA N N 83 125.891 127.362 -1.471 17414 285 2 . 1 1 83 83 ALA HA H 83 4.293 4.420 -0.127 17414 286 2 . 1 1 83 83 ALA CA C 83 51.686 52.584 -0.898 17414 287 2 . 1 1 84 84 ALA N N 84 125.790 125.956 -0.166 17414 288 2 . 1 1 84 84 ALA HA H 84 3.930 4.056 -0.126 17414 289 2 . 1 1 84 84 ALA CB C 84 17.269 18.537 -1.268 17414 290 2 . 1 1 85 85 GLY N N 85 102.306 105.634 -3.328 17414 291 2 . 1 1 86 86 GLU N N 86 117.564 117.837 -0.273 17414 292 2 . 1 1 86 86 GLU HA H 86 4.414 4.447 -0.033 17414 293 2 . 1 1 86 86 GLU CA C 86 55.233 56.110 -0.877 17414 294 2 . 1 1 86 86 GLU CB C 86 30.231 30.176 0.055 17414 295 2 . 1 1 87 87 LEU N N 87 119.746 122.296 -2.550 17414 296 2 . 1 1 87 87 LEU HA H 87 4.417 4.497 -0.080 17414 297 2 . 1 1 87 87 LEU CA C 87 54.274 54.281 -0.007 17414 298 2 . 1 1 87 87 LEU CB C 87 41.471 42.907 -1.436 17414 299 2 . 1 1 88 88 ARG N N 88 120.899 123.393 -2.494 17414 300 2 . 1 1 88 88 ARG HA H 88 4.627 4.942 -0.315 17414 301 2 . 1 1 88 88 ARG CA C 88 52.594 53.941 -1.347 17414 302 2 . 1 1 89 89 LYS N N 89 119.795 124.688 -4.893 17414 303 2 . 1 1 89 89 LYS HA H 89 3.669 4.024 -0.355 17414 304 2 . 1 1 89 89 LYS CA C 89 57.770 57.756 0.014 17414 305 2 . 1 1 90 90 GLY N N 90 115.070 112.430 2.640 17414 306 2 . 1 1 90 90 GLY CA C 90 44.499 45.366 -0.867 17414 307 2 . 1 1 91 91 ASP N N 91 121.652 121.639 0.013 17414 308 2 . 1 1 91 91 ASP HA H 91 4.716 4.758 -0.042 17414 309 2 . 1 1 91 91 ASP CA C 91 55.866 54.088 1.778 17414 310 2 . 1 1 92 92 ARG N N 92 117.826 123.873 -6.047 17414 311 2 . 1 1 92 92 ARG HA H 92 5.241 5.060 0.181 17414 312 2 . 1 1 92 92 ARG CA C 92 54.976 55.705 -0.729 17414 313 2 . 1 1 92 92 ARG CB C 92 31.655 31.723 -0.068 17414 314 2 . 1 1 93 93 VAL N N 93 115.034 118.299 -3.265 17414 315 2 . 1 1 93 93 VAL HA H 93 4.839 4.927 -0.088 17414 316 2 . 1 1 93 93 VAL CA C 93 58.222 59.189 -0.967 17414 317 2 . 1 1 94 94 ALA N N 94 126.192 124.768 1.424 17414 318 2 . 1 1 94 94 ALA HA H 94 4.271 3.870 0.401 17414 319 2 . 1 1 94 94 ALA CA C 94 50.975 51.677 -0.702 17414 320 2 . 1 1 94 94 ALA CB C 94 18.748 18.793 -0.045 17414 321 2 . 1 1 95 95 VAL N N 95 115.179 116.475 -1.296 17414 322 2 . 1 1 95 95 VAL HA H 95 5.317 4.941 0.376 17414 323 2 . 1 1 95 95 VAL CA C 95 57.154 58.744 -1.590 17414 324 2 . 1 1 95 95 VAL CB C 95 35.186 35.589 -0.403 17414 325 2 . 1 1 96 96 ARG N N 96 119.288 122.671 -3.383 17414 326 2 . 1 1 96 96 ARG HA H 96 4.230 4.781 -0.551 17414 327 2 . 1 1 96 96 ARG CA C 96 53.613 54.739 -1.126 17414 328 2 . 1 1 96 96 ARG CB C 96 31.697 32.295 -0.598 17414 329 2 . 1 1 97 97 ASP N N 97 131.180 125.858 5.322 17414 330 2 . 1 1 97 97 ASP HA H 97 4.415 4.796 -0.381 17414 331 2 . 1 1 97 97 ASP CA C 97 53.887 52.939 0.948 17414 332 2 . 1 1 97 97 ASP CB C 97 42.723 42.160 0.563 17414 333 2 . 1 1 98 98 VAL N N 98 126.152 125.755 0.397 17414 334 2 . 1 1 98 98 VAL HA H 98 3.489 3.833 -0.344 17414 335 2 . 1 1 98 98 VAL CA C 98 64.431 65.054 -0.623 17414 336 2 . 1 1 98 98 VAL CB C 98 31.047 31.578 -0.531 17414 337 2 . 1 1 99 99 GLU N N 99 118.883 121.341 -2.458 17414 338 2 . 1 1 99 99 GLU HA H 99 4.127 4.074 0.053 17414 339 2 . 1 1 99 99 GLU CA C 99 58.178 59.112 -0.934 17414 340 2 . 1 1 99 99 GLU CB C 99 29.591 29.819 -0.228 17414 341 2 . 1 1 100 100 THR N N 100 106.301 108.796 -2.495 17414 342 2 . 1 1 100 100 THR HA H 100 4.316 4.410 -0.094 17414 343 2 . 1 1 100 100 THR CA C 100 61.407 62.135 -0.728 17414 344 2 . 1 1 100 100 THR CB C 100 70.856 70.397 0.459 17414 345 2 . 1 1 101 101 GLY N N 101 111.204 111.746 -0.542 17414 346 2 . 1 1 101 101 GLY CA C 101 45.284 45.511 -0.227 17414 347 2 . 1 1 102 102 GLU N N 102 118.458 120.509 -2.051 17414 348 2 . 1 1 102 102 GLU HA H 102 4.301 4.431 -0.130 17414 349 2 . 1 1 102 102 GLU CA C 102 55.160 55.962 -0.802 17414 350 2 . 1 1 102 102 GLU CB C 102 31.769 31.010 0.759 17414 351 2 . 1 1 103 103 LEU N N 103 121.701 121.289 0.412 17414 352 2 . 1 1 103 103 LEU HA H 103 4.716 4.677 0.039 17414 353 2 . 1 1 103 103 LEU CA C 103 54.930 54.144 0.786 17414 354 2 . 1 1 103 103 LEU CB C 103 42.346 42.893 -0.547 17414 355 2 . 1 1 104 104 ARG N N 104 127.157 121.130 6.027 17414 356 2 . 1 1 104 104 ARG HA H 104 4.403 4.933 -0.530 17414 357 2 . 1 1 104 104 ARG CA C 104 53.201 53.689 -0.488 17414 358 2 . 1 1 104 104 ARG CB C 104 32.989 34.291 -1.302 17414 359 2 . 1 1 105 105 TYR N N 105 116.202 117.878 -1.676 17414 360 2 . 1 1 105 105 TYR HA H 105 5.490 5.516 -0.026 17414 361 2 . 1 1 105 105 TYR CA C 105 56.831 56.696 0.135 17414 362 2 . 1 1 105 105 TYR CB C 105 40.116 42.004 -1.888 17414 363 2 . 1 1 106 106 SER N N 106 118.250 115.374 2.876 17414 364 2 . 1 1 106 106 SER HA H 106 4.807 5.094 -0.287 17414 365 2 . 1 1 106 106 SER CA C 106 55.888 57.568 -1.680 17414 366 2 . 1 1 106 106 SER CB C 106 66.301 66.887 -0.586 17414 367 2 . 1 1 107 107 VAL N N 107 122.160 121.039 1.121 17414 368 2 . 1 1 107 107 VAL HA H 107 4.423 4.595 -0.172 17414 369 2 . 1 1 107 107 VAL CA C 107 61.369 60.976 0.393 17414 370 2 . 1 1 107 107 VAL CB C 107 33.633 33.257 0.376 17414 371 2 . 1 1 108 108 ILE N N 108 123.427 125.791 -2.364 17414 372 2 . 1 1 108 108 ILE HA H 108 4.100 4.210 -0.110 17414 373 2 . 1 1 108 108 ILE CA C 108 61.321 61.349 -0.028 17414 374 2 . 1 1 108 108 ILE CB C 108 37.408 37.930 -0.522 17414 375 2 . 1 1 109 109 ARG N N 109 130.207 127.129 3.078 17414 376 2 . 1 1 109 109 ARG HA H 109 4.254 4.368 -0.114 17414 377 2 . 1 1 109 109 ARG CA C 109 55.904 57.482 -1.578 17414 378 2 . 1 1 110 110 GLU N N 110 116.804 117.604 -0.800 17414 379 2 . 1 1 110 110 GLU HA H 110 4.274 4.630 -0.356 17414 380 2 . 1 1 110 110 GLU CA C 110 55.889 56.167 -0.278 17414 381 2 . 1 1 110 110 GLU CB C 110 33.186 33.531 -0.345 17414 382 2 . 1 1 111 111 VAL N N 111 125.709 126.571 -0.862 17414 383 2 . 1 1 111 111 VAL HA H 111 4.709 4.534 0.175 17414 384 2 . 1 1 111 111 VAL CA C 111 60.903 61.548 -0.645 17414 385 2 . 1 1 111 111 VAL CB C 111 31.927 33.125 -1.198 17414 386 2 . 1 1 112 112 LEU N N 112 132.638 128.490 4.148 17414 387 2 . 1 1 112 112 LEU HA H 112 4.741 4.813 -0.072 17414 388 2 . 1 1 112 112 LEU CA C 112 52.655 51.750 0.905 17414 389 2 . 1 1 112 112 LEU CB C 112 40.998 42.204 -1.206 17414 390 2 . 1 1 113 113 PRO HA H 113 4.532 4.596 -0.064 17414 391 2 . 1 1 113 113 PRO CA C 113 61.916 62.455 -0.539 17414 392 2 . 1 1 113 113 PRO CB C 113 32.608 32.441 0.167 17414 393 2 . 1 1 114 114 THR N N 114 112.542 112.752 -0.210 17414 394 2 . 1 1 114 114 THR HA H 114 4.973 4.666 0.307 17414 395 2 . 1 1 114 114 THR CA C 114 61.865 61.419 0.446 17414 396 2 . 1 1 114 114 THR CB C 114 69.345 70.253 -0.908 17414 397 2 . 1 1 115 115 ARG N N 115 123.213 120.786 2.427 17414 398 2 . 1 1 115 115 ARG HA H 115 4.694 4.920 -0.226 17414 399 2 . 1 1 115 115 ARG CA C 115 54.302 54.409 -0.107 17414 400 2 . 1 1 115 115 ARG CB C 115 32.684 33.363 -0.679 17414 401 2 . 1 1 116 116 ARG N N 116 119.004 121.482 -2.478 17414 402 2 . 1 1 116 116 ARG HA H 116 4.879 4.830 0.049 17414 403 2 . 1 1 116 116 ARG CA C 116 54.554 55.799 -1.245 17414 404 2 . 1 1 116 116 ARG CB C 116 30.285 32.151 -1.866 17414 405 2 . 1 1 117 117 ALA N N 117 124.834 124.034 0.800 17414 406 2 . 1 1 117 117 ALA HA H 117 4.599 4.742 -0.143 17414 407 2 . 1 1 117 117 ALA CA C 117 50.434 51.000 -0.566 17414 408 2 . 1 1 117 117 ALA CB C 117 23.139 22.888 0.251 17414 409 2 . 1 1 118 118 ARG N N 118 120.885 119.484 1.401 17414 410 2 . 1 1 118 118 ARG HA H 118 3.925 4.583 -0.658 17414 411 2 . 1 1 118 118 ARG CA C 118 57.559 56.097 1.462 17414 412 2 . 1 1 118 118 ARG CB C 118 30.409 31.274 -0.865 17414 413 2 . 1 1 119 119 THR N N 119 111.492 113.607 -2.115 17414 414 2 . 1 1 119 119 THR HA H 119 5.309 5.425 -0.116 17414 415 2 . 1 1 119 119 THR CA C 119 60.071 59.424 0.647 17414 416 2 . 1 1 119 119 THR CB C 119 72.737 71.800 0.937 17414 417 2 . 1 1 120 120 PHE N N 120 113.949 120.099 -6.150 17414 418 2 . 1 1 120 120 PHE HA H 120 5.311 5.335 -0.024 17414 419 2 . 1 1 120 120 PHE CA C 120 57.898 56.220 1.678 17414 420 2 . 1 1 120 120 PHE CB C 120 46.203 43.579 2.624 17414 421 2 . 1 1 121 121 ASP N N 121 118.841 119.689 -0.848 17414 422 2 . 1 1 121 121 ASP HA H 121 5.352 5.398 -0.046 17414 423 2 . 1 1 121 121 ASP CA C 121 55.227 53.399 1.828 17414 424 2 . 1 1 121 121 ASP CB C 121 47.673 44.616 3.057 17414 425 2 . 1 1 122 122 LEU N N 122 118.637 124.447 -5.810 17414 426 2 . 1 1 122 122 LEU HA H 122 4.809 5.111 -0.302 17414 427 2 . 1 1 122 122 LEU CB C 122 45.915 45.169 0.746 17414 428 2 . 1 1 123 123 GLU N N 123 118.694 123.306 -4.612 17414 429 2 . 1 1 123 123 GLU HA H 123 4.515 4.696 -0.181 17414 430 2 . 1 1 123 123 GLU CA C 123 54.697 55.532 -0.835 17414 431 2 . 1 1 124 124 VAL N N 124 129.259 127.242 2.017 17414 432 2 . 1 1 124 124 VAL HA H 124 4.065 4.165 -0.100 17414 433 2 . 1 1 124 124 VAL CA C 124 61.193 62.073 -0.880 17414 434 2 . 1 1 124 124 VAL CB C 124 33.607 32.009 1.598 17414 435 2 . 1 1 125 125 GLU N N 125 128.432 127.882 0.550 17414 436 2 . 1 1 125 125 GLU HA H 125 3.672 4.044 -0.372 17414 437 2 . 1 1 125 125 GLU CA C 125 58.494 58.980 -0.486 17414 438 2 . 1 1 125 125 GLU CB C 125 30.552 29.498 1.054 17414 439 2 . 1 1 126 126 GLU N N 126 120.993 122.537 -1.544 17414 440 2 . 1 1 126 126 GLU HA H 126 3.570 4.269 -0.699 17414 441 2 . 1 1 126 126 GLU CA C 126 61.229 58.043 3.186 17414 442 2 . 1 1 126 126 GLU CB C 126 29.621 30.804 -1.183 17414 443 2 . 1 1 127 127 LEU N N 127 120.945 120.346 0.599 17414 444 2 . 1 1 127 127 LEU HA H 127 4.205 4.362 -0.157 17414 445 2 . 1 1 127 127 LEU CA C 127 55.681 54.162 1.519 17414 446 2 . 1 1 128 128 HIS HA H 128 4.584 4.526 0.058 17414 447 2 . 1 1 128 128 HIS CA C 128 54.566 56.406 -1.840 17414 448 2 . 1 1 128 128 HIS CB C 128 26.062 29.191 -3.129 17414 449 2 . 1 1 129 129 THR N N 129 105.639 114.604 -8.965 17414 450 2 . 1 1 129 129 THR HA H 129 4.899 4.867 0.032 17414 451 2 . 1 1 129 129 THR CA C 129 58.380 61.142 -2.762 17414 452 2 . 1 1 129 129 THR CB C 129 72.980 71.034 1.946 17414 453 2 . 1 1 130 130 LEU N N 130 111.598 120.846 -9.248 17414 454 2 . 1 1 130 130 LEU HA H 130 5.537 5.306 0.231 17414 455 2 . 1 1 130 130 LEU CA C 130 54.683 53.789 0.894 17414 456 2 . 1 1 130 130 LEU CB C 130 44.277 45.343 -1.066 17414 457 2 . 1 1 131 131 VAL N N 131 119.670 121.282 -1.612 17414 458 2 . 1 1 131 131 VAL HA H 131 4.830 4.763 0.067 17414 459 2 . 1 1 131 131 VAL CA C 131 61.285 61.749 -0.464 17414 460 2 . 1 1 131 131 VAL CB C 131 30.272 32.467 -2.195 17414 461 2 . 1 1 132 132 ALA N N 132 134.824 129.209 5.615 17414 462 2 . 1 1 132 132 ALA HA H 132 4.931 4.886 0.045 17414 463 2 . 1 1 132 132 ALA CA C 132 49.999 50.691 -0.692 17414 464 2 . 1 1 132 132 ALA CB C 132 21.422 21.592 -0.170 17414 465 2 . 1 1 133 133 GLU N N 133 118.979 124.999 -6.020 17414 466 2 . 1 1 133 133 GLU HA H 133 3.826 4.068 -0.242 17414 467 2 . 1 1 133 133 GLU CA C 133 57.065 57.725 -0.660 17414 468 2 . 1 1 133 133 GLU CB C 133 26.406 28.322 -1.916 17414 469 2 . 1 1 134 134 GLY N N 134 100.017 104.374 -4.357 17414 470 2 . 1 1 134 134 GLY CA C 134 45.352 45.807 -0.455 17414 471 2 . 1 1 135 135 VAL N N 135 122.381 120.841 1.540 17414 472 2 . 1 1 135 135 VAL HA H 135 4.560 4.416 0.144 17414 473 2 . 1 1 135 135 VAL CA C 135 60.885 61.247 -0.362 17414 474 2 . 1 1 135 135 VAL CB C 135 32.542 34.014 -1.472 17414 475 2 . 1 1 136 136 VAL N N 136 126.302 125.802 0.500 17414 476 2 . 1 1 136 136 VAL HA H 136 4.254 4.806 -0.552 17414 477 2 . 1 1 136 136 VAL CA C 136 63.608 61.427 2.181 17414 478 2 . 1 1 136 136 VAL CB C 136 30.519 32.874 -2.355 17414 479 2 . 1 1 137 137 VAL N N 137 118.757 121.177 -2.420 17414 480 2 . 1 1 137 137 VAL HA H 137 5.743 5.180 0.563 17414 481 2 . 1 1 137 137 VAL CA C 137 58.252 59.800 -1.548 17414 482 2 . 1 1 137 137 VAL CB C 137 36.378 35.911 0.467 17414 483 2 . 1 1 138 138 HIS N N 138 120.902 123.563 -2.661 17414 484 2 . 1 1 138 138 HIS HA H 138 4.434 4.334 0.100 17414 485 2 . 1 1 138 138 HIS CA C 138 56.439 57.227 -0.788 17414 486 2 . 1 1 138 138 HIS CB C 138 30.583 30.135 0.448 17414 stop_ save_