data_15303_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15303 _Entry.PDB_ID 2K18 _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 10 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_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.Entity_delta_chem_shifts_ID 1 1 . 1 1 1 A 2 2 PRO C C 2 176.900 174.974 1.926 1 1 2 . 1 1 1 A 2 2 PRO CA C 2 63.000 62.523 0.477 1 1 3 . 1 1 1 A 2 2 PRO CB C 2 32.100 30.108 1.992 1 1 4 . 1 1 1 A 3 3 LEU H H 3 8.510 8.117 0.393 1 1 5 . 1 1 1 A 3 3 LEU HA H 3 4.320 4.631 -0.311 1 1 10 . 1 1 1 A 3 3 LEU C C 3 177.900 175.676 2.224 1 1 11 . 1 1 1 A 3 3 LEU CA C 3 55.500 53.945 1.555 1 1 12 . 1 1 1 A 3 3 LEU CB C 3 42.000 44.727 -2.727 1 1 13 . 1 1 1 A 3 3 LEU N N 3 122.400 124.610 -2.210 1 1 14 . 1 1 1 A 4 4 GLY H H 4 8.450 8.502 -0.052 1 1 15 . 1 1 1 A 4 4 GLY HA2 H 4 3.900 4.164 -0.264 1 1 16 . 1 1 1 A 4 4 GLY HA3 H 4 4.020 4.164 -0.144 1 1 17 . 1 1 1 A 4 4 GLY C C 4 173.800 173.321 0.479 1 1 18 . 1 1 1 A 4 4 GLY CA C 4 45.100 44.953 0.147 1 1 19 . 1 1 1 A 4 4 GLY N N 4 110.200 112.600 -2.400 1 1 20 . 1 1 1 A 5 5 SER H H 5 8.040 8.231 -0.191 1 1 21 . 1 1 1 A 5 5 SER HA H 5 4.010 4.920 -0.910 1 1 23 . 1 1 1 A 5 5 SER CA C 5 56.300 55.487 0.813 1 1 24 . 1 1 1 A 5 5 SER CB C 5 63.300 66.484 -3.184 1 1 25 . 1 1 1 A 5 5 SER N N 5 116.900 120.714 -3.814 1 1 26 . 1 1 1 A 6 6 PRO HA H 6 4.450 4.487 -0.037 1 1 29 . 1 1 1 A 6 6 PRO C C 6 176.700 177.658 -0.958 1 1 30 . 1 1 1 A 6 6 PRO CA C 6 63.000 62.980 0.020 1 1 31 . 1 1 1 A 6 6 PRO CB C 6 32.000 32.617 -0.617 1 1 32 . 1 1 1 A 7 7 ALA H H 7 8.560 8.224 0.336 1 1 33 . 1 1 1 A 7 7 ALA HA H 7 4.100 4.096 0.004 1 1 37 . 1 1 1 A 7 7 ALA C C 7 176.600 177.365 -0.765 1 1 38 . 1 1 1 A 7 7 ALA CA C 7 53.400 54.610 -1.210 1 1 39 . 1 1 1 A 7 7 ALA CB C 7 19.600 18.775 0.825 1 1 40 . 1 1 1 A 7 7 ALA N N 7 123.600 124.455 -0.855 1 1 41 . 1 1 1 A 8 8 ALA H H 8 7.410 7.527 -0.117 1 1 42 . 1 1 1 A 8 8 ALA HA H 8 4.680 5.717 -1.037 1 1 46 . 1 1 1 A 8 8 ALA C C 8 175.900 175.908 -0.008 1 1 47 . 1 1 1 A 8 8 ALA CA C 8 50.100 50.531 -0.431 1 1 48 . 1 1 1 A 8 8 ALA CB C 8 21.300 20.969 0.331 1 1 49 . 1 1 1 A 8 8 ALA N N 8 116.200 119.370 -3.170 1 1 50 . 1 1 1 A 9 9 THR H H 9 8.670 9.500 -0.830 1 1 51 . 1 1 1 A 9 9 THR HA H 9 4.330 5.046 -0.716 1 1 56 . 1 1 1 A 9 9 THR C C 9 174.400 173.248 1.152 1 1 57 . 1 1 1 A 9 9 THR CA C 9 62.600 60.310 2.290 1 1 58 . 1 1 1 A 9 9 THR CB C 9 70.100 70.979 -0.879 1 1 59 . 1 1 1 A 9 9 THR N N 9 119.900 118.161 1.739 1 1 60 . 1 1 1 A 10 10 THR H H 10 9.000 8.868 0.132 1 1 61 . 1 1 1 A 10 10 THR HA H 10 4.580 5.738 -1.158 1 1 66 . 1 1 1 A 10 10 THR C C 10 174.100 173.761 0.339 1 1 67 . 1 1 1 A 10 10 THR CA C 10 63.900 60.449 3.451 1 1 68 . 1 1 1 A 10 10 THR CB C 10 68.500 70.223 -1.723 1 1 69 . 1 1 1 A 10 10 THR N N 10 125.900 121.015 4.885 1 1 70 . 1 1 1 A 11 11 LEU H H 11 9.010 8.359 0.651 1 1 71 . 1 1 1 A 11 11 LEU HA H 11 4.970 4.858 0.112 1 1 77 . 1 1 1 A 11 11 LEU CA C 11 50.200 50.932 -0.732 1 1 78 . 1 1 1 A 11 11 LEU CB C 11 41.700 43.201 -1.501 1 1 79 . 1 1 1 A 11 11 LEU N N 11 127.200 127.001 0.199 1 1 80 . 1 1 1 A 12 12 PRO HA H 12 4.520 4.433 0.087 1 1 83 . 1 1 1 A 12 12 PRO C C 12 175.300 175.391 -0.091 1 1 84 . 1 1 1 A 12 12 PRO CA C 12 63.900 63.803 0.097 1 1 85 . 1 1 1 A 12 12 PRO CB C 12 32.700 31.452 1.248 1 1 86 . 1 1 1 A 13 13 ASP H H 13 7.110 7.367 -0.257 1 1 87 . 1 1 1 A 13 13 ASP HA H 13 4.420 4.794 -0.374 1 1 90 . 1 1 1 A 13 13 ASP C C 13 175.400 176.618 -1.218 1 1 91 . 1 1 1 A 13 13 ASP CA C 13 52.300 52.755 -0.455 1 1 92 . 1 1 1 A 13 13 ASP CB C 13 42.000 42.611 -0.611 1 1 93 . 1 1 1 A 13 13 ASP N N 13 112.100 114.055 -1.955 1 1 94 . 1 1 1 A 14 14 GLY H H 14 9.120 9.244 -0.124 1 1 95 . 1 1 1 A 14 14 GLY HA2 H 14 3.610 3.770 -0.160 1 1 96 . 1 1 1 A 14 14 GLY HA3 H 14 4.010 3.799 0.211 1 1 97 . 1 1 1 A 14 14 GLY C C 14 175.100 176.137 -1.037 1 1 98 . 1 1 1 A 14 14 GLY CA C 14 47.400 47.362 0.038 1 1 99 . 1 1 1 A 14 14 GLY N N 14 106.600 107.257 -0.657 1 1 100 . 1 1 1 A 15 15 ALA H H 15 8.050 8.075 -0.025 1 1 101 . 1 1 1 A 15 15 ALA HA H 15 4.170 4.210 -0.040 1 1 105 . 1 1 1 A 15 15 ALA C C 15 180.500 179.939 0.561 1 1 106 . 1 1 1 A 15 15 ALA CA C 15 54.800 54.722 0.078 1 1 107 . 1 1 1 A 15 15 ALA CB C 15 17.600 18.169 -0.569 1 1 108 . 1 1 1 A 15 15 ALA N N 15 125.100 124.671 0.429 1 1 109 . 1 1 1 A 16 16 ALA H H 16 8.260 8.724 -0.464 1 1 110 . 1 1 1 A 16 16 ALA HA H 16 4.170 4.045 0.125 1 1 114 . 1 1 1 A 16 16 ALA C C 16 180.500 179.453 1.047 1 1 115 . 1 1 1 A 16 16 ALA CA C 16 54.500 54.847 -0.347 1 1 116 . 1 1 1 A 16 16 ALA CB C 16 18.600 18.395 0.205 1 1 117 . 1 1 1 A 16 16 ALA N N 16 121.600 119.700 1.900 1 1 118 . 1 1 1 A 17 17 ALA H H 17 7.600 7.859 -0.259 1 1 119 . 1 1 1 A 17 17 ALA HA H 17 3.990 3.899 0.091 1 1 123 . 1 1 1 A 17 17 ALA C C 17 177.200 179.137 -1.937 1 1 124 . 1 1 1 A 17 17 ALA CA C 17 55.400 55.308 0.092 1 1 125 . 1 1 1 A 17 17 ALA CB C 17 18.700 18.012 0.688 1 1 126 . 1 1 1 A 17 17 ALA N N 17 120.600 120.465 0.135 1 1 127 . 1 1 1 A 18 18 GLU H H 18 8.450 8.275 0.175 1 1 128 . 1 1 1 A 18 18 GLU HA H 18 3.790 4.021 -0.231 1 1 132 . 1 1 1 A 18 18 GLU C C 18 178.800 178.647 0.153 1 1 133 . 1 1 1 A 18 18 GLU CA C 18 59.200 59.087 0.113 1 1 134 . 1 1 1 A 18 18 GLU CB C 18 29.500 29.038 0.462 1 1 135 . 1 1 1 A 18 18 GLU N N 18 117.100 116.918 0.182 1 1 136 . 1 1 1 A 19 19 SER H H 19 7.920 7.451 0.469 1 1 137 . 1 1 1 A 19 19 SER HA H 19 4.150 4.150 0.000 1 1 139 . 1 1 1 A 19 19 SER C C 19 176.800 176.689 0.111 1 1 140 . 1 1 1 A 19 19 SER CA C 19 61.300 61.586 -0.286 1 1 141 . 1 1 1 A 19 19 SER CB C 19 62.400 63.297 -0.897 1 1 142 . 1 1 1 A 19 19 SER N N 19 112.800 115.846 -3.046 1 1 143 . 1 1 1 A 20 20 LEU H H 20 7.460 7.554 -0.094 1 1 144 . 1 1 1 A 20 20 LEU HA H 20 4.020 3.920 0.100 1 1 153 . 1 1 1 A 20 20 LEU C C 20 179.200 178.709 0.491 1 1 154 . 1 1 1 A 20 20 LEU CA C 20 58.400 58.083 0.317 1 1 155 . 1 1 1 A 20 20 LEU CB C 20 41.600 41.505 0.095 1 1 156 . 1 1 1 A 20 20 LEU N N 20 123.000 119.230 3.770 1 1 157 . 1 1 1 A 21 21 VAL H H 21 7.980 7.895 0.085 1 1 158 . 1 1 1 A 21 21 VAL HA H 21 3.090 3.392 -0.302 1 1 166 . 1 1 1 A 21 21 VAL C C 21 177.600 178.171 -0.571 1 1 167 . 1 1 1 A 21 21 VAL CA C 21 66.800 66.764 0.036 1 1 168 . 1 1 1 A 21 21 VAL CB C 21 31.600 31.520 0.080 1 1 169 . 1 1 1 A 21 21 VAL N N 21 119.500 120.595 -1.095 1 1 170 . 1 1 1 A 22 22 GLU H H 22 8.180 8.404 -0.224 1 1 171 . 1 1 1 A 22 22 GLU HA H 22 4.040 3.999 0.041 1 1 174 . 1 1 1 A 22 22 GLU C C 22 178.700 178.445 0.255 1 1 175 . 1 1 1 A 22 22 GLU CA C 22 58.000 59.359 -1.359 1 1 176 . 1 1 1 A 22 22 GLU CB C 22 29.500 29.527 -0.027 1 1 177 . 1 1 1 A 22 22 GLU N N 22 114.800 120.274 -5.474 1 1 178 . 1 1 1 A 23 23 SER H H 23 7.570 7.532 0.038 1 1 179 . 1 1 1 A 23 23 SER HA H 23 4.360 4.371 -0.011 1 1 182 . 1 1 1 A 23 23 SER C C 23 173.700 174.276 -0.576 1 1 183 . 1 1 1 A 23 23 SER CA C 23 59.800 59.390 0.410 1 1 184 . 1 1 1 A 23 23 SER CB C 23 64.000 63.251 0.749 1 1 185 . 1 1 1 A 23 23 SER N N 23 112.500 114.293 -1.793 1 1 186 . 1 1 1 A 24 24 SER H H 24 7.080 8.569 -1.489 1 1 187 . 1 1 1 A 24 24 SER HA H 24 4.800 4.620 0.180 1 1 190 . 1 1 1 A 24 24 SER C C 24 172.800 174.518 -1.718 1 1 191 . 1 1 1 A 24 24 SER CA C 24 57.200 56.975 0.225 1 1 192 . 1 1 1 A 24 24 SER CB C 24 65.400 65.338 0.062 1 1 193 . 1 1 1 A 24 24 SER N N 24 115.400 114.826 0.574 1 1 194 . 1 1 1 A 25 25 GLU H H 25 8.700 8.549 0.151 1 1 195 . 1 1 1 A 25 25 GLU HA H 25 3.970 3.989 -0.019 1 1 199 . 1 1 1 A 25 25 GLU C C 25 175.700 176.908 -1.208 1 1 200 . 1 1 1 A 25 25 GLU CA C 25 59.900 59.968 -0.068 1 1 201 . 1 1 1 A 25 25 GLU CB C 25 30.300 29.657 0.643 1 1 202 . 1 1 1 A 25 25 GLU N N 25 124.500 126.353 -1.853 1 1 203 . 1 1 1 A 26 26 VAL H H 26 7.320 7.974 -0.654 1 1 204 . 1 1 1 A 26 26 VAL HA H 26 5.000 4.679 0.321 1 1 212 . 1 1 1 A 26 26 VAL C C 26 174.300 174.324 -0.024 1 1 213 . 1 1 1 A 26 26 VAL CA C 26 60.500 60.322 0.178 1 1 214 . 1 1 1 A 26 26 VAL CB C 26 35.700 35.130 0.570 1 1 215 . 1 1 1 A 26 26 VAL N N 26 113.500 119.229 -5.729 1 1 216 . 1 1 1 A 27 27 ALA H H 27 9.130 8.550 0.580 1 1 217 . 1 1 1 A 27 27 ALA HA H 27 4.820 5.040 -0.220 1 1 221 . 1 1 1 A 27 27 ALA C C 27 175.000 175.159 -0.159 1 1 222 . 1 1 1 A 27 27 ALA CA C 27 51.200 50.818 0.382 1 1 223 . 1 1 1 A 27 27 ALA CB C 27 23.000 23.778 -0.778 1 1 224 . 1 1 1 A 27 27 ALA N N 27 127.200 127.658 -0.458 1 1 225 . 1 1 1 A 28 28 VAL H H 28 7.980 8.444 -0.464 1 1 226 . 1 1 1 A 28 28 VAL HA H 28 5.080 5.179 -0.099 1 1 234 . 1 1 1 A 28 28 VAL C C 28 174.600 174.157 0.443 1 1 235 . 1 1 1 A 28 28 VAL CA C 28 60.800 59.361 1.439 1 1 236 . 1 1 1 A 28 28 VAL CB C 28 34.300 34.537 -0.237 1 1 237 . 1 1 1 A 28 28 VAL N N 28 120.100 118.327 1.773 1 1 238 . 1 1 1 A 29 29 ILE H H 29 9.080 9.479 -0.399 1 1 239 . 1 1 1 A 29 29 ILE HA H 29 4.780 5.548 -0.768 1 1 247 . 1 1 1 A 29 29 ILE C C 29 173.300 175.317 -2.017 1 1 248 . 1 1 1 A 29 29 ILE CA C 29 60.000 59.671 0.329 1 1 249 . 1 1 1 A 29 29 ILE CB C 29 40.300 40.601 -0.301 1 1 250 . 1 1 1 A 29 29 ILE N N 29 124.300 128.774 -4.474 1 1 251 . 1 1 1 A 30 30 GLY H H 30 8.610 9.558 -0.948 1 1 252 . 1 1 1 A 30 30 GLY HA2 H 30 1.910 4.431 -2.521 1 1 253 . 1 1 1 A 30 30 GLY HA3 H 30 3.960 4.500 -0.540 1 1 254 . 1 1 1 A 30 30 GLY C C 30 169.300 172.114 -2.814 1 1 255 . 1 1 1 A 30 30 GLY CA C 30 44.500 44.413 0.087 1 1 256 . 1 1 1 A 30 30 GLY N N 30 115.800 114.649 1.151 1 1 257 . 1 1 1 A 31 31 PHE H H 31 8.470 9.500 -1.030 1 1 258 . 1 1 1 A 31 31 PHE HA H 31 4.200 5.572 -1.372 1 1 261 . 1 1 1 A 31 31 PHE C C 31 172.800 175.073 -2.273 1 1 262 . 1 1 1 A 31 31 PHE CA C 31 55.000 56.405 -1.405 1 1 263 . 1 1 1 A 31 31 PHE CB C 31 36.500 40.215 -3.715 1 1 264 . 1 1 1 A 31 31 PHE N N 31 127.800 122.769 5.031 1 1 265 . 1 1 1 A 32 32 PHE H H 32 8.200 9.098 -0.898 1 1 266 . 1 1 1 A 32 32 PHE HA H 32 4.980 5.042 -0.062 1 1 269 . 1 1 1 A 32 32 PHE C C 32 174.400 175.870 -1.470 1 1 270 . 1 1 1 A 32 32 PHE CA C 32 55.700 56.227 -0.527 1 1 271 . 1 1 1 A 32 32 PHE CB C 32 42.900 41.765 1.135 1 1 272 . 1 1 1 A 32 32 PHE N N 32 116.900 121.368 -4.468 1 1 273 . 1 1 1 A 33 33 LYS H H 33 9.420 8.799 0.621 1 1 274 . 1 1 1 A 33 33 LYS HA H 33 4.020 4.491 -0.471 1 1 279 . 1 1 1 A 33 33 LYS C C 33 176.700 176.891 -0.191 1 1 280 . 1 1 1 A 33 33 LYS CA C 33 58.900 58.089 0.811 1 1 281 . 1 1 1 A 33 33 LYS CB C 33 31.900 33.112 -1.212 1 1 282 . 1 1 1 A 33 33 LYS N N 33 124.700 122.958 1.742 1 1 283 . 1 1 1 A 34 34 ASP H H 34 8.920 8.100 0.820 1 1 284 . 1 1 1 A 34 34 ASP HA H 34 5.020 4.916 0.104 1 1 287 . 1 1 1 A 34 34 ASP C C 34 177.800 176.017 1.783 1 1 288 . 1 1 1 A 34 34 ASP CA C 34 51.700 52.132 -0.432 1 1 289 . 1 1 1 A 34 34 ASP CB C 34 41.800 40.842 0.958 1 1 290 . 1 1 1 A 34 34 ASP N N 34 117.300 118.912 -1.612 1 1 291 . 1 1 1 A 35 35 VAL H H 35 8.560 8.432 0.128 1 1 292 . 1 1 1 A 35 35 VAL HA H 35 3.790 3.761 0.029 1 1 300 . 1 1 1 A 35 35 VAL C C 35 174.500 177.582 -3.082 1 1 301 . 1 1 1 A 35 35 VAL CA C 35 63.900 65.787 -1.887 1 1 302 . 1 1 1 A 35 35 VAL CB C 35 30.500 31.584 -1.084 1 1 303 . 1 1 1 A 35 35 VAL N N 35 120.700 123.454 -2.754 1 1 304 . 1 1 1 A 36 36 GLU H H 36 8.250 8.040 0.210 1 1 305 . 1 1 1 A 36 36 GLU HA H 36 4.390 4.272 0.118 1 1 309 . 1 1 1 A 36 36 GLU C C 36 176.600 177.347 -0.747 1 1 310 . 1 1 1 A 36 36 GLU CA C 36 54.800 58.394 -3.594 1 1 311 . 1 1 1 A 36 36 GLU CB C 36 29.200 29.792 -0.592 1 1 312 . 1 1 1 A 36 36 GLU N N 36 117.200 119.626 -2.426 1 1 313 . 1 1 1 A 37 37 SER H H 37 7.560 7.671 -0.111 1 1 314 . 1 1 1 A 37 37 SER HA H 37 4.300 4.366 -0.066 1 1 317 . 1 1 1 A 37 37 SER C C 37 174.000 175.157 -1.157 1 1 318 . 1 1 1 A 37 37 SER CA C 37 58.100 59.507 -1.407 1 1 319 . 1 1 1 A 37 37 SER CB C 37 65.400 63.999 1.401 1 1 320 . 1 1 1 A 37 37 SER N N 37 116.100 116.022 0.078 1 1 321 . 1 1 1 A 38 38 ASP H H 38 8.920 8.889 0.031 1 1 322 . 1 1 1 A 38 38 ASP HA H 38 4.290 4.272 0.018 1 1 324 . 1 1 1 A 38 38 ASP C C 38 179.200 178.354 0.846 1 1 325 . 1 1 1 A 38 38 ASP CA C 38 58.100 57.410 0.690 1 1 326 . 1 1 1 A 38 38 ASP CB C 38 40.100 40.182 -0.082 1 1 327 . 1 1 1 A 38 38 ASP N N 38 121.400 126.253 -4.853 1 1 328 . 1 1 1 A 39 39 SER H H 39 8.500 8.119 0.381 1 1 329 . 1 1 1 A 39 39 SER HA H 39 4.050 4.090 -0.040 1 1 331 . 1 1 1 A 39 39 SER C C 39 174.500 176.308 -1.808 1 1 332 . 1 1 1 A 39 39 SER CA C 39 61.500 61.908 -0.408 1 1 333 . 1 1 1 A 39 39 SER CB C 39 62.400 62.996 -0.596 1 1 334 . 1 1 1 A 39 39 SER N N 39 114.200 117.231 -3.031 1 1 335 . 1 1 1 A 40 40 ALA H H 40 6.970 7.736 -0.766 1 1 336 . 1 1 1 A 40 40 ALA HA H 40 2.380 3.211 -0.831 1 1 340 . 1 1 1 A 40 40 ALA C C 40 179.600 179.881 -0.281 1 1 341 . 1 1 1 A 40 40 ALA CA C 40 54.500 54.893 -0.393 1 1 342 . 1 1 1 A 40 40 ALA CB C 40 18.600 18.146 0.454 1 1 343 . 1 1 1 A 40 40 ALA N N 40 125.700 123.217 2.483 1 1 344 . 1 1 1 A 41 41 LYS H H 41 8.040 7.589 0.451 1 1 345 . 1 1 1 A 41 41 LYS HA H 41 3.830 3.876 -0.046 1 1 350 . 1 1 1 A 41 41 LYS C C 41 180.500 179.767 0.733 1 1 351 . 1 1 1 A 41 41 LYS CA C 41 60.000 59.409 0.591 1 1 352 . 1 1 1 A 41 41 LYS CB C 41 31.900 32.300 -0.400 1 1 353 . 1 1 1 A 41 41 LYS N N 41 115.800 117.045 -1.245 1 1 354 . 1 1 1 A 42 42 GLN H H 42 7.870 7.863 0.007 1 1 355 . 1 1 1 A 42 42 GLN HA H 42 3.780 4.025 -0.245 1 1 359 . 1 1 1 A 42 42 GLN C C 42 177.800 178.574 -0.774 1 1 360 . 1 1 1 A 42 42 GLN CA C 42 58.600 58.933 -0.333 1 1 361 . 1 1 1 A 42 42 GLN CB C 42 28.600 28.297 0.303 1 1 362 . 1 1 1 A 42 42 GLN N N 42 119.100 118.973 0.127 1 1 363 . 1 1 1 A 43 43 PHE H H 43 7.710 8.167 -0.457 1 1 364 . 1 1 1 A 43 43 PHE HA H 43 3.850 3.994 -0.144 1 1 367 . 1 1 1 A 43 43 PHE C C 43 176.200 177.070 -0.870 1 1 368 . 1 1 1 A 43 43 PHE CA C 43 61.300 60.934 0.366 1 1 369 . 1 1 1 A 43 43 PHE CB C 43 39.000 39.289 -0.289 1 1 370 . 1 1 1 A 43 43 PHE N N 43 120.000 120.831 -0.831 1 1 371 . 1 1 1 A 44 44 LEU H H 44 8.360 8.097 0.263 1 1 372 . 1 1 1 A 44 44 LEU HA H 44 3.580 3.730 -0.150 1 1 378 . 1 1 1 A 44 44 LEU C C 44 179.400 178.948 0.452 1 1 379 . 1 1 1 A 44 44 LEU CA C 44 57.400 57.823 -0.423 1 1 380 . 1 1 1 A 44 44 LEU CB C 44 40.900 41.741 -0.841 1 1 381 . 1 1 1 A 44 44 LEU N N 44 119.500 120.067 -0.567 1 1 382 . 1 1 1 A 45 45 GLN H H 45 7.660 8.242 -0.582 1 1 383 . 1 1 1 A 45 45 GLN HA H 45 3.900 4.017 -0.117 1 1 388 . 1 1 1 A 45 45 GLN C C 45 179.300 178.416 0.884 1 1 389 . 1 1 1 A 45 45 GLN CA C 45 58.700 58.868 -0.168 1 1 390 . 1 1 1 A 45 45 GLN CB C 45 28.700 28.244 0.456 1 1 391 . 1 1 1 A 45 45 GLN N N 45 117.700 117.886 -0.186 1 1 392 . 1 1 1 A 46 46 ALA H H 46 7.630 7.633 -0.003 1 1 393 . 1 1 1 A 46 46 ALA HA H 46 3.740 3.994 -0.254 1 1 397 . 1 1 1 A 46 46 ALA C C 46 177.100 179.078 -1.978 1 1 398 . 1 1 1 A 46 46 ALA CA C 46 55.300 54.756 0.544 1 1 399 . 1 1 1 A 46 46 ALA CB C 46 17.500 18.278 -0.778 1 1 400 . 1 1 1 A 46 46 ALA N N 46 123.700 122.254 1.446 1 1 401 . 1 1 1 A 47 47 ALA H H 47 7.330 7.461 -0.131 1 1 402 . 1 1 1 A 47 47 ALA HA H 47 1.790 2.406 -0.616 1 1 406 . 1 1 1 A 47 47 ALA C C 47 178.600 179.557 -0.957 1 1 407 . 1 1 1 A 47 47 ALA CA C 47 53.200 54.432 -1.232 1 1 408 . 1 1 1 A 47 47 ALA CB C 47 17.700 17.774 -0.074 1 1 409 . 1 1 1 A 47 47 ALA N N 47 118.100 119.235 -1.135 1 1 410 . 1 1 1 A 48 48 GLU H H 48 7.020 7.452 -0.432 1 1 411 . 1 1 1 A 48 48 GLU HA H 48 3.840 3.974 -0.134 1 1 415 . 1 1 1 A 48 48 GLU C C 48 177.100 178.403 -1.303 1 1 416 . 1 1 1 A 48 48 GLU CA C 48 57.300 59.210 -1.910 1 1 417 . 1 1 1 A 48 48 GLU CB C 48 29.900 29.286 0.614 1 1 418 . 1 1 1 A 48 48 GLU N N 48 112.900 118.282 -5.382 1 1 419 . 1 1 1 A 49 49 ALA H H 49 7.250 7.685 -0.435 1 1 420 . 1 1 1 A 49 49 ALA HA H 49 4.250 4.088 0.162 1 1 424 . 1 1 1 A 49 49 ALA C C 49 176.900 177.552 -0.652 1 1 425 . 1 1 1 A 49 49 ALA CA C 49 52.600 54.322 -1.722 1 1 426 . 1 1 1 A 49 49 ALA CB C 49 20.100 18.712 1.388 1 1 427 . 1 1 1 A 49 49 ALA N N 49 119.800 120.675 -0.875 1 1 428 . 1 1 1 A 50 50 ILE H H 50 7.030 7.153 -0.123 1 1 429 . 1 1 1 A 50 50 ILE HA H 50 4.370 4.610 -0.240 1 1 439 . 1 1 1 A 50 50 ILE C C 50 174.300 175.784 -1.484 1 1 440 . 1 1 1 A 50 50 ILE CA C 50 59.700 59.691 0.009 1 1 441 . 1 1 1 A 50 50 ILE CB C 50 39.400 40.219 -0.819 1 1 442 . 1 1 1 A 50 50 ILE N N 50 119.300 114.360 4.940 1 1 443 . 1 1 1 A 51 51 ASP H H 51 8.390 8.920 -0.530 1 1 444 . 1 1 1 A 51 51 ASP HA H 51 4.830 4.991 -0.161 1 1 446 . 1 1 1 A 51 51 ASP C C 51 177.500 176.088 1.412 1 1 447 . 1 1 1 A 51 51 ASP CA C 51 54.300 53.690 0.610 1 1 448 . 1 1 1 A 51 51 ASP CB C 51 42.200 40.997 1.203 1 1 449 . 1 1 1 A 51 51 ASP N N 51 123.200 124.237 -1.037 1 1 450 . 1 1 1 A 52 52 ASP H H 52 8.530 8.050 0.480 1 1 451 . 1 1 1 A 52 52 ASP HA H 52 4.570 4.386 0.184 1 1 454 . 1 1 1 A 52 52 ASP C C 52 175.000 175.969 -0.969 1 1 455 . 1 1 1 A 52 52 ASP CA C 52 54.600 56.690 -2.090 1 1 456 . 1 1 1 A 52 52 ASP CB C 52 40.200 41.265 -1.065 1 1 457 . 1 1 1 A 52 52 ASP N N 52 116.000 119.570 -3.570 1 1 458 . 1 1 1 A 53 53 ILE H H 53 7.150 7.678 -0.528 1 1 459 . 1 1 1 A 53 53 ILE HA H 53 4.570 4.490 0.080 1 1 469 . 1 1 1 A 53 53 ILE CA C 53 57.700 57.266 0.434 1 1 470 . 1 1 1 A 53 53 ILE CB C 53 42.000 40.344 1.656 1 1 471 . 1 1 1 A 53 53 ILE N N 53 119.300 117.380 1.920 1 1 472 . 1 1 1 A 54 54 PRO C C 54 175.100 175.386 -0.286 1 1 473 . 1 1 1 A 54 54 PRO CA C 54 62.700 63.020 -0.320 1 1 474 . 1 1 1 A 54 54 PRO CB C 54 32.500 32.109 0.391 1 1 475 . 1 1 1 A 55 55 PHE H H 55 8.780 8.315 0.465 1 1 476 . 1 1 1 A 55 55 PHE HA H 55 5.840 5.658 0.182 1 1 479 . 1 1 1 A 55 55 PHE C C 55 176.900 175.329 1.571 1 1 480 . 1 1 1 A 55 55 PHE CA C 55 55.600 56.002 -0.402 1 1 481 . 1 1 1 A 55 55 PHE CB C 55 42.000 41.930 0.070 1 1 482 . 1 1 1 A 55 55 PHE N N 55 119.900 121.423 -1.523 1 1 483 . 1 1 1 A 56 56 GLY H H 56 9.510 9.354 0.156 1 1 484 . 1 1 1 A 56 56 GLY HA2 H 56 3.350 4.301 -0.951 1 1 485 . 1 1 1 A 56 56 GLY HA3 H 56 5.620 4.352 1.268 1 1 486 . 1 1 1 A 56 56 GLY C C 56 170.800 172.654 -1.854 1 1 487 . 1 1 1 A 56 56 GLY CA C 56 43.400 43.916 -0.516 1 1 488 . 1 1 1 A 56 56 GLY N N 56 109.000 109.079 -0.079 1 1 489 . 1 1 1 A 57 57 ILE H H 57 8.930 8.391 0.539 1 1 490 . 1 1 1 A 57 57 ILE HA H 57 5.570 5.529 0.041 1 1 499 . 1 1 1 A 57 57 ILE C C 57 172.000 174.327 -2.327 1 1 500 . 1 1 1 A 57 57 ILE CA C 57 58.400 59.475 -1.075 1 1 501 . 1 1 1 A 57 57 ILE CB C 57 42.900 42.233 0.667 1 1 502 . 1 1 1 A 57 57 ILE N N 57 120.800 120.756 0.044 1 1 503 . 1 1 1 A 58 58 THR H H 58 8.660 8.591 0.069 1 1 504 . 1 1 1 A 58 58 THR HA H 58 4.960 4.925 0.035 1 1 509 . 1 1 1 A 58 58 THR C C 58 170.000 172.099 -2.099 1 1 510 . 1 1 1 A 58 58 THR CA C 58 60.100 60.281 -0.181 1 1 511 . 1 1 1 A 58 58 THR CB C 58 72.100 70.073 2.027 1 1 512 . 1 1 1 A 58 58 THR N N 58 121.200 117.662 3.538 1 1 513 . 1 1 1 A 59 59 SER H H 59 8.710 8.570 0.140 1 1 514 . 1 1 1 A 59 59 SER HA H 59 5.200 5.138 0.062 1 1 517 . 1 1 1 A 59 59 SER C C 59 173.900 174.783 -0.883 1 1 518 . 1 1 1 A 59 59 SER CA C 59 56.700 57.500 -0.800 1 1 519 . 1 1 1 A 59 59 SER CB C 59 65.700 64.928 0.772 1 1 520 . 1 1 1 A 59 59 SER N N 59 119.900 119.903 -0.003 1 1 521 . 1 1 1 A 60 60 ASN H H 60 8.030 7.149 0.881 1 1 522 . 1 1 1 A 60 60 ASN HA H 60 4.790 4.837 -0.047 1 1 524 . 1 1 1 A 60 60 ASN CA C 60 53.200 53.290 -0.090 1 1 525 . 1 1 1 A 60 60 ASN CB C 60 39.500 39.223 0.277 1 1 526 . 1 1 1 A 60 60 ASN N N 60 122.200 122.400 -0.200 1 1 528 . 1 1 1 A 61 61 SER C C 61 175.900 176.774 -0.874 1 1 529 . 1 1 1 A 61 61 SER CA C 61 62.500 61.834 0.666 1 1 530 . 1 1 1 A 61 61 SER CB C 61 62.500 63.206 -0.706 1 1 531 . 1 1 1 A 62 62 ASP H H 62 8.630 8.324 0.306 1 1 532 . 1 1 1 A 62 62 ASP HA H 62 4.530 4.444 0.086 1 1 535 . 1 1 1 A 62 62 ASP C C 62 179.000 179.107 -0.107 1 1 536 . 1 1 1 A 62 62 ASP CA C 62 57.400 57.570 -0.170 1 1 537 . 1 1 1 A 62 62 ASP CB C 62 40.000 40.439 -0.439 1 1 538 . 1 1 1 A 62 62 ASP N N 62 122.200 122.479 -0.279 1 1 539 . 1 1 1 A 63 63 VAL H H 63 8.030 7.900 0.130 1 1 540 . 1 1 1 A 63 63 VAL HA H 63 3.750 3.644 0.106 1 1 548 . 1 1 1 A 63 63 VAL C C 63 177.900 178.331 -0.431 1 1 549 . 1 1 1 A 63 63 VAL CA C 63 65.800 66.581 -0.781 1 1 550 . 1 1 1 A 63 63 VAL CB C 63 30.700 31.655 -0.955 1 1 551 . 1 1 1 A 63 63 VAL N N 63 122.400 120.466 1.934 1 1 552 . 1 1 1 A 64 64 PHE H H 64 7.980 8.274 -0.294 1 1 553 . 1 1 1 A 64 64 PHE HA H 64 4.200 4.564 -0.364 1 1 556 . 1 1 1 A 64 64 PHE C C 64 178.800 178.441 0.359 1 1 557 . 1 1 1 A 64 64 PHE CA C 64 61.700 60.522 1.178 1 1 558 . 1 1 1 A 64 64 PHE CB C 64 37.500 38.684 -1.184 1 1 559 . 1 1 1 A 64 64 PHE N N 64 120.100 119.580 0.520 1 1 560 . 1 1 1 A 65 65 SER H H 65 8.090 8.206 -0.116 1 1 561 . 1 1 1 A 65 65 SER HA H 65 4.210 4.193 0.017 1 1 563 . 1 1 1 A 65 65 SER C C 65 177.800 176.817 0.983 1 1 564 . 1 1 1 A 65 65 SER CA C 65 61.600 62.350 -0.750 1 1 565 . 1 1 1 A 65 65 SER CB C 65 62.300 62.961 -0.661 1 1 566 . 1 1 1 A 65 65 SER N N 65 112.100 115.622 -3.522 1 1 567 . 1 1 1 A 66 66 LYS H H 66 7.650 7.813 -0.163 1 1 568 . 1 1 1 A 66 66 LYS HA H 66 3.870 4.198 -0.328 1 1 572 . 1 1 1 A 66 66 LYS C C 66 176.700 177.195 -0.495 1 1 573 . 1 1 1 A 66 66 LYS CA C 66 58.900 59.257 -0.357 1 1 574 . 1 1 1 A 66 66 LYS CB C 66 32.700 32.225 0.475 1 1 575 . 1 1 1 A 66 66 LYS N N 66 124.100 121.497 2.603 1 1 576 . 1 1 1 A 67 67 TYR H H 67 7.040 7.756 -0.716 1 1 577 . 1 1 1 A 67 67 TYR HA H 67 4.640 4.679 -0.039 1 1 580 . 1 1 1 A 67 67 TYR C C 67 173.600 175.386 -1.786 1 1 581 . 1 1 1 A 67 67 TYR CA C 67 58.400 59.783 -1.383 1 1 582 . 1 1 1 A 67 67 TYR CB C 67 37.700 38.645 -0.945 1 1 583 . 1 1 1 A 67 67 TYR N N 67 113.800 121.815 -8.015 1 1 584 . 1 1 1 A 68 68 GLN H H 68 7.850 8.000 -0.150 1 1 585 . 1 1 1 A 68 68 GLN HA H 68 3.830 3.841 -0.011 1 1 588 . 1 1 1 A 68 68 GLN C C 68 174.700 174.028 0.672 1 1 589 . 1 1 1 A 68 68 GLN CA C 68 57.400 56.880 0.520 1 1 590 . 1 1 1 A 68 68 GLN CB C 68 25.000 26.400 -1.400 1 1 591 . 1 1 1 A 68 68 GLN N N 68 113.700 118.208 -4.508 1 1 592 . 1 1 1 A 69 69 LEU H H 69 8.070 8.420 -0.350 1 1 593 . 1 1 1 A 69 69 LEU HA H 69 4.530 4.932 -0.402 1 1 602 . 1 1 1 A 69 69 LEU C C 69 176.800 176.083 0.717 1 1 603 . 1 1 1 A 69 69 LEU CA C 69 54.900 53.545 1.355 1 1 604 . 1 1 1 A 69 69 LEU CB C 69 43.200 45.626 -2.426 1 1 605 . 1 1 1 A 69 69 LEU N N 69 120.800 119.078 1.722 1 1 606 . 1 1 1 A 70 70 ASP H H 70 8.580 9.116 -0.536 1 1 607 . 1 1 1 A 70 70 ASP HA H 70 4.650 4.868 -0.218 1 1 610 . 1 1 1 A 70 70 ASP C C 70 174.800 174.816 -0.016 1 1 611 . 1 1 1 A 70 70 ASP CA C 70 53.200 54.062 -0.862 1 1 612 . 1 1 1 A 70 70 ASP CB C 70 41.600 42.216 -0.616 1 1 613 . 1 1 1 A 70 70 ASP N N 70 120.400 120.767 -0.367 1 1 614 . 1 1 1 A 71 71 LYS H H 71 7.720 7.582 0.138 1 1 615 . 1 1 1 A 71 71 LYS HA H 71 4.550 4.652 -0.102 1 1 619 . 1 1 1 A 71 71 LYS C C 71 173.100 175.999 -2.899 1 1 620 . 1 1 1 A 71 71 LYS CA C 71 54.300 54.637 -0.337 1 1 621 . 1 1 1 A 71 71 LYS CB C 71 34.100 36.924 -2.824 1 1 622 . 1 1 1 A 71 71 LYS N N 71 117.300 117.596 -0.296 1 1 623 . 1 1 1 A 72 72 ASP H H 72 7.780 8.720 -0.940 1 1 624 . 1 1 1 A 72 72 ASP HA H 72 4.650 4.810 -0.160 1 1 627 . 1 1 1 A 72 72 ASP C C 72 177.600 175.814 1.786 1 1 628 . 1 1 1 A 72 72 ASP CA C 72 54.500 53.971 0.529 1 1 629 . 1 1 1 A 72 72 ASP CB C 72 41.500 41.705 -0.205 1 1 630 . 1 1 1 A 72 72 ASP N N 72 116.900 121.753 -4.853 1 1 631 . 1 1 1 A 73 73 GLY H H 73 8.660 8.561 0.099 1 1 632 . 1 1 1 A 73 73 GLY HA2 H 73 3.890 4.082 -0.192 1 1 633 . 1 1 1 A 73 73 GLY C C 73 169.700 172.364 -2.664 1 1 634 . 1 1 1 A 73 73 GLY CA C 73 45.500 44.823 0.677 1 1 635 . 1 1 1 A 73 73 GLY N N 73 107.400 106.782 0.618 1 1 636 . 1 1 1 A 74 74 VAL H H 74 8.490 8.350 0.140 1 1 637 . 1 1 1 A 74 74 VAL HA H 74 4.840 5.176 -0.336 1 1 642 . 1 1 1 A 74 74 VAL C C 74 173.500 175.049 -1.549 1 1 643 . 1 1 1 A 74 74 VAL CA C 74 61.300 60.819 0.481 1 1 644 . 1 1 1 A 74 74 VAL CB C 74 35.500 34.051 1.449 1 1 645 . 1 1 1 A 74 74 VAL N N 74 117.900 122.215 -4.315 1 1 646 . 1 1 1 A 75 75 VAL H H 75 8.930 9.837 -0.907 1 1 647 . 1 1 1 A 75 75 VAL HA H 75 4.580 5.220 -0.640 1 1 655 . 1 1 1 A 75 75 VAL C C 75 172.700 173.787 -1.087 1 1 656 . 1 1 1 A 75 75 VAL CA C 75 61.100 60.615 0.485 1 1 657 . 1 1 1 A 75 75 VAL CB C 75 35.600 36.188 -0.588 1 1 658 . 1 1 1 A 75 75 VAL N N 75 126.900 126.695 0.205 1 1 659 . 1 1 1 A 76 76 LEU H H 76 8.690 8.713 -0.023 1 1 660 . 1 1 1 A 76 76 LEU HA H 76 4.980 5.138 -0.158 1 1 666 . 1 1 1 A 76 76 LEU C C 76 173.400 174.584 -1.184 1 1 667 . 1 1 1 A 76 76 LEU CA C 76 54.200 53.582 0.618 1 1 668 . 1 1 1 A 76 76 LEU CB C 76 46.000 44.693 1.307 1 1 669 . 1 1 1 A 76 76 LEU N N 76 128.000 129.697 -1.697 1 1 670 . 1 1 1 A 77 77 PHE H H 77 9.600 9.836 -0.236 1 1 671 . 1 1 1 A 77 77 PHE HA H 77 4.930 6.022 -1.092 1 1 674 . 1 1 1 A 77 77 PHE C C 77 173.800 174.790 -0.990 1 1 675 . 1 1 1 A 77 77 PHE CA C 77 56.800 56.855 -0.055 1 1 676 . 1 1 1 A 77 77 PHE CB C 77 42.100 40.771 1.329 1 1 677 . 1 1 1 A 77 77 PHE N N 77 126.500 126.134 0.366 1 1 678 . 1 1 1 A 78 78 LYS H H 78 8.410 8.555 -0.145 1 1 679 . 1 1 1 A 78 78 LYS HA H 78 5.410 4.873 0.537 1 1 684 . 1 1 1 A 78 78 LYS C C 78 176.600 176.868 -0.268 1 1 685 . 1 1 1 A 78 78 LYS CA C 78 53.500 54.352 -0.852 1 1 686 . 1 1 1 A 78 78 LYS CB C 78 34.600 36.036 -1.436 1 1 687 . 1 1 1 A 78 78 LYS N N 78 115.800 120.829 -5.029 1 1 688 . 1 1 1 A 79 79 LYS H H 79 8.010 8.592 -0.582 1 1 689 . 1 1 1 A 79 79 LYS HA H 79 4.370 3.913 0.457 1 1 693 . 1 1 1 A 79 79 LYS C C 79 175.000 176.029 -1.029 1 1 694 . 1 1 1 A 79 79 LYS CA C 79 56.000 59.098 -3.098 1 1 695 . 1 1 1 A 79 79 LYS CB C 79 31.900 32.671 -0.771 1 1 696 . 1 1 1 A 79 79 LYS N N 79 121.400 124.735 -3.335 1 1 697 . 1 1 1 A 80 80 PHE H H 80 6.620 7.331 -0.711 1 1 698 . 1 1 1 A 80 80 PHE HA H 80 4.880 4.982 -0.102 1 1 700 . 1 1 1 A 80 80 PHE C C 80 174.000 174.820 -0.820 1 1 701 . 1 1 1 A 80 80 PHE CA C 80 54.400 55.441 -1.041 1 1 702 . 1 1 1 A 80 80 PHE CB C 80 40.400 41.122 -0.722 1 1 703 . 1 1 1 A 80 80 PHE N N 80 113.500 113.495 0.005 1 1 704 . 1 1 1 A 81 81 ASP H H 81 8.980 9.094 -0.114 1 1 705 . 1 1 1 A 81 81 ASP HA H 81 4.270 4.548 -0.278 1 1 708 . 1 1 1 A 81 81 ASP C C 81 176.600 176.573 0.027 1 1 709 . 1 1 1 A 81 81 ASP CA C 81 56.000 56.072 -0.072 1 1 710 . 1 1 1 A 81 81 ASP CB C 81 40.200 40.373 -0.173 1 1 711 . 1 1 1 A 81 81 ASP N N 81 117.700 118.860 -1.160 1 1 712 . 1 1 1 A 82 82 GLU H H 82 10.320 8.864 1.456 1 1 713 . 1 1 1 A 82 82 GLU HA H 82 4.340 4.262 0.078 1 1 716 . 1 1 1 A 82 82 GLU C C 82 178.700 177.174 1.526 1 1 717 . 1 1 1 A 82 82 GLU CA C 82 58.200 56.966 1.234 1 1 718 . 1 1 1 A 82 82 GLU CB C 82 28.600 30.193 -1.593 1 1 719 . 1 1 1 A 82 82 GLU N N 82 123.900 125.536 -1.636 1 1 720 . 1 1 1 A 83 83 GLY H H 83 7.780 9.114 -1.334 1 1 721 . 1 1 1 A 83 83 GLY HA2 H 83 4.150 3.900 0.250 1 1 722 . 1 1 1 A 83 83 GLY HA3 H 83 4.290 3.925 0.365 1 1 723 . 1 1 1 A 83 83 GLY C C 83 174.400 173.252 1.148 1 1 724 . 1 1 1 A 83 83 GLY CA C 83 46.600 45.376 1.224 1 1 725 . 1 1 1 A 83 83 GLY N N 83 109.200 108.761 0.439 1 1 726 . 1 1 1 A 84 84 ARG H H 84 7.200 7.826 -0.626 1 1 727 . 1 1 1 A 84 84 ARG HA H 84 5.210 5.575 -0.365 1 1 731 . 1 1 1 A 84 84 ARG C C 84 174.000 174.045 -0.045 1 1 732 . 1 1 1 A 84 84 ARG CA C 84 55.000 54.007 0.993 1 1 733 . 1 1 1 A 84 84 ARG CB C 84 32.500 33.404 -0.904 1 1 734 . 1 1 1 A 84 84 ARG N N 84 121.000 120.103 0.897 1 1 735 . 1 1 1 A 85 85 ASN H H 85 9.270 8.884 0.386 1 1 736 . 1 1 1 A 85 85 ASN HA H 85 5.000 5.342 -0.342 1 1 739 . 1 1 1 A 85 85 ASN C C 85 172.900 174.107 -1.207 1 1 740 . 1 1 1 A 85 85 ASN CA C 85 53.800 52.235 1.565 1 1 741 . 1 1 1 A 85 85 ASN CB C 85 43.600 40.797 2.803 1 1 742 . 1 1 1 A 85 85 ASN N N 85 121.600 123.467 -1.867 1 1 743 . 1 1 1 A 86 86 ASN H H 86 9.150 8.993 0.157 1 1 744 . 1 1 1 A 86 86 ASN HA H 86 5.000 5.361 -0.361 1 1 746 . 1 1 1 A 86 86 ASN C C 86 174.400 175.657 -1.257 1 1 747 . 1 1 1 A 86 86 ASN CA C 86 52.400 53.211 -0.811 1 1 748 . 1 1 1 A 86 86 ASN CB C 86 38.600 39.165 -0.565 1 1 749 . 1 1 1 A 86 86 ASN N N 86 123.200 125.768 -2.568 1 1 750 . 1 1 1 A 87 87 PHE H H 87 8.380 9.687 -1.307 1 1 751 . 1 1 1 A 87 87 PHE HA H 87 3.460 4.345 -0.885 1 1 754 . 1 1 1 A 87 87 PHE C C 87 174.600 176.889 -2.289 1 1 755 . 1 1 1 A 87 87 PHE CA C 87 59.000 58.815 0.185 1 1 756 . 1 1 1 A 87 87 PHE CB C 87 39.000 39.959 -0.959 1 1 757 . 1 1 1 A 87 87 PHE N N 87 124.900 126.652 -1.752 1 1 758 . 1 1 1 A 88 88 GLU H H 88 7.450 8.752 -1.302 1 1 759 . 1 1 1 A 88 88 GLU HA H 88 4.270 3.986 0.284 1 1 763 . 1 1 1 A 88 88 GLU C C 88 173.900 177.592 -3.692 1 1 764 . 1 1 1 A 88 88 GLU CA C 88 54.800 59.429 -4.629 1 1 765 . 1 1 1 A 88 88 GLU CB C 88 31.700 29.672 2.028 1 1 766 . 1 1 1 A 88 88 GLU N N 88 128.600 125.500 3.100 1 1 767 . 1 1 1 A 89 89 GLY H H 89 7.050 7.553 -0.503 1 1 768 . 1 1 1 A 89 89 GLY HA2 H 89 3.700 3.937 -0.237 1 1 769 . 1 1 1 A 89 89 GLY HA3 H 89 3.840 3.958 -0.118 1 1 770 . 1 1 1 A 89 89 GLY C C 89 172.600 174.466 -1.866 1 1 771 . 1 1 1 A 89 89 GLY CA C 89 43.400 45.451 -2.051 1 1 772 . 1 1 1 A 89 89 GLY N N 89 108.600 105.089 3.511 1 1 773 . 1 1 1 A 90 90 GLU H H 90 8.450 7.930 0.520 1 1 774 . 1 1 1 A 90 90 GLU HA H 90 4.290 4.185 0.105 1 1 778 . 1 1 1 A 90 90 GLU C C 90 177.400 175.502 1.898 1 1 779 . 1 1 1 A 90 90 GLU CA C 90 56.200 56.802 -0.602 1 1 780 . 1 1 1 A 90 90 GLU CB C 90 29.900 30.198 -0.298 1 1 781 . 1 1 1 A 90 90 GLU N N 90 120.400 121.716 -1.316 1 1 782 . 1 1 1 A 91 91 VAL H H 91 9.140 8.593 0.547 1 1 783 . 1 1 1 A 91 91 VAL HA H 91 3.730 4.392 -0.662 1 1 791 . 1 1 1 A 91 91 VAL C C 91 173.600 175.248 -1.648 1 1 792 . 1 1 1 A 91 91 VAL CA C 91 64.400 61.229 3.171 1 1 793 . 1 1 1 A 91 91 VAL CB C 91 29.800 33.046 -3.246 1 1 794 . 1 1 1 A 91 91 VAL N N 91 126.500 124.136 2.364 1 1 795 . 1 1 1 A 92 92 THR H H 92 7.210 8.690 -1.480 1 1 796 . 1 1 1 A 92 92 THR HA H 92 4.630 4.819 -0.189 1 1 801 . 1 1 1 A 92 92 THR C C 92 174.100 175.140 -1.040 1 1 802 . 1 1 1 A 92 92 THR CA C 92 58.000 61.273 -3.273 1 1 803 . 1 1 1 A 92 92 THR CB C 92 72.400 71.582 0.818 1 1 804 . 1 1 1 A 92 92 THR N N 92 117.900 121.071 -3.171 1 1 805 . 1 1 1 A 93 93 LYS H H 93 9.360 8.916 0.444 1 1 806 . 1 1 1 A 93 93 LYS HA H 93 3.680 4.038 -0.358 1 1 810 . 1 1 1 A 93 93 LYS C C 93 177.100 178.595 -1.495 1 1 811 . 1 1 1 A 93 93 LYS CA C 93 60.700 59.073 1.627 1 1 812 . 1 1 1 A 93 93 LYS CB C 93 32.100 32.050 0.050 1 1 813 . 1 1 1 A 93 93 LYS N N 93 124.100 124.904 -0.804 1 1 814 . 1 1 1 A 94 94 GLU H H 94 9.120 7.959 1.161 1 1 815 . 1 1 1 A 94 94 GLU HA H 94 3.900 4.070 -0.170 1 1 819 . 1 1 1 A 94 94 GLU C C 94 179.100 179.384 -0.284 1 1 820 . 1 1 1 A 94 94 GLU CA C 94 60.700 59.312 1.388 1 1 821 . 1 1 1 A 94 94 GLU CB C 94 28.700 29.572 -0.872 1 1 822 . 1 1 1 A 94 94 GLU N N 94 116.600 119.413 -2.813 1 1 823 . 1 1 1 A 95 95 ASN H H 95 8.020 8.377 -0.357 1 1 824 . 1 1 1 A 95 95 ASN HA H 95 4.650 4.572 0.078 1 1 827 . 1 1 1 A 95 95 ASN C C 95 179.700 178.221 1.479 1 1 828 . 1 1 1 A 95 95 ASN CA C 95 55.300 56.475 -1.175 1 1 829 . 1 1 1 A 95 95 ASN CB C 95 37.500 38.106 -0.606 1 1 830 . 1 1 1 A 95 95 ASN N N 95 118.100 119.037 -0.937 1 1 831 . 1 1 1 A 96 96 LEU H H 96 8.550 8.115 0.435 1 1 832 . 1 1 1 A 96 96 LEU HA H 96 3.960 4.671 -0.711 1 1 842 . 1 1 1 A 96 96 LEU C C 96 178.400 179.250 -0.850 1 1 843 . 1 1 1 A 96 96 LEU CA C 96 57.500 58.304 -0.804 1 1 844 . 1 1 1 A 96 96 LEU CB C 96 42.200 41.722 0.478 1 1 845 . 1 1 1 A 96 96 LEU N N 96 121.600 117.847 3.753 1 1 846 . 1 1 1 A 97 97 LEU H H 97 8.500 8.104 0.396 1 1 847 . 1 1 1 A 97 97 LEU HA H 97 4.010 3.971 0.039 1 1 853 . 1 1 1 A 97 97 LEU C C 97 179.200 179.169 0.031 1 1 854 . 1 1 1 A 97 97 LEU CA C 97 58.900 58.102 0.798 1 1 855 . 1 1 1 A 97 97 LEU CB C 97 40.900 41.416 -0.516 1 1 856 . 1 1 1 A 97 97 LEU N N 97 120.100 120.370 -0.270 1 1 857 . 1 1 1 A 98 98 ASP H H 98 7.660 8.085 -0.425 1 1 858 . 1 1 1 A 98 98 ASP HA H 98 4.410 4.165 0.245 1 1 861 . 1 1 1 A 98 98 ASP C C 98 177.800 178.767 -0.967 1 1 862 . 1 1 1 A 98 98 ASP CA C 98 57.700 57.270 0.430 1 1 863 . 1 1 1 A 98 98 ASP CB C 98 41.100 40.595 0.505 1 1 864 . 1 1 1 A 98 98 ASP N N 98 118.700 119.691 -0.991 1 1 865 . 1 1 1 A 99 99 PHE H H 99 7.900 8.085 -0.185 1 1 866 . 1 1 1 A 99 99 PHE HA H 99 4.530 4.006 0.524 1 1 869 . 1 1 1 A 99 99 PHE C C 99 177.600 177.297 0.303 1 1 870 . 1 1 1 A 99 99 PHE CA C 99 60.400 61.282 -0.882 1 1 871 . 1 1 1 A 99 99 PHE CB C 99 39.800 39.128 0.672 1 1 872 . 1 1 1 A 99 99 PHE N N 99 120.800 121.510 -0.710 1 1 873 . 1 1 1 A 100 100 ILE H H 100 8.780 8.384 0.396 1 1 874 . 1 1 1 A 100 100 ILE HA H 100 3.120 3.591 -0.471 1 1 883 . 1 1 1 A 100 100 ILE C C 100 177.400 177.921 -0.521 1 1 884 . 1 1 1 A 100 100 ILE CA C 100 65.500 64.962 0.538 1 1 885 . 1 1 1 A 100 100 ILE CB C 100 38.500 38.007 0.493 1 1 886 . 1 1 1 A 100 100 ILE N N 100 121.400 120.505 0.895 1 1 887 . 1 1 1 A 101 101 LYS H H 101 8.210 8.014 0.196 1 1 888 . 1 1 1 A 101 101 LYS HA H 101 4.200 4.107 0.093 1 1 893 . 1 1 1 A 101 101 LYS C C 101 179.400 179.299 0.101 1 1 894 . 1 1 1 A 101 101 LYS CA C 101 59.300 58.757 0.543 1 1 895 . 1 1 1 A 101 101 LYS CB C 101 31.800 32.183 -0.383 1 1 896 . 1 1 1 A 101 101 LYS N N 101 117.900 119.330 -1.430 1 1 897 . 1 1 1 A 102 102 HIS H H 102 7.870 8.242 -0.372 1 1 898 . 1 1 1 A 102 102 HIS HA H 102 4.420 4.396 0.024 1 1 900 . 1 1 1 A 102 102 HIS C C 102 175.900 175.950 -0.050 1 1 901 . 1 1 1 A 102 102 HIS CA C 102 58.400 59.724 -1.324 1 1 902 . 1 1 1 A 102 102 HIS CB C 102 30.100 29.972 0.128 1 1 903 . 1 1 1 A 102 102 HIS N N 102 113.900 118.092 -4.192 1 1 904 . 1 1 1 A 103 103 ASN H H 103 7.270 7.701 -0.431 1 1 905 . 1 1 1 A 103 103 ASN HA H 103 4.840 4.561 0.279 1 1 908 . 1 1 1 A 103 103 ASN C C 103 174.500 177.187 -2.687 1 1 909 . 1 1 1 A 103 103 ASN CA C 103 54.400 53.579 0.821 1 1 910 . 1 1 1 A 103 103 ASN CB C 103 41.100 38.822 2.278 1 1 911 . 1 1 1 A 103 103 ASN N N 103 113.900 118.673 -4.773 1 1 912 . 1 1 1 A 104 104 GLN H H 104 7.650 8.191 -0.541 1 1 913 . 1 1 1 A 104 104 GLN HA H 104 4.250 4.142 0.108 1 1 917 . 1 1 1 A 104 104 GLN C C 104 173.800 175.652 -1.852 1 1 918 . 1 1 1 A 104 104 GLN CA C 104 57.400 57.747 -0.347 1 1 919 . 1 1 1 A 104 104 GLN CB C 104 28.900 28.812 0.088 1 1 920 . 1 1 1 A 104 104 GLN N N 104 115.000 118.487 -3.487 1 1 921 . 1 1 1 A 105 105 LEU H H 105 7.500 7.689 -0.189 1 1 922 . 1 1 1 A 105 105 LEU HA H 105 4.720 4.746 -0.026 1 1 927 . 1 1 1 A 105 105 LEU CA C 105 51.800 52.029 -0.229 1 1 928 . 1 1 1 A 105 105 LEU CB C 105 42.100 42.985 -0.885 1 1 929 . 1 1 1 A 105 105 LEU N N 105 119.700 121.358 -1.658 1 1 930 . 1 1 1 A 106 106 PRO HA H 106 4.380 4.632 -0.252 1 1 931 . 1 1 1 A 106 106 PRO C C 106 175.600 177.011 -1.411 1 1 932 . 1 1 1 A 106 106 PRO CA C 106 61.700 62.473 -0.773 1 1 933 . 1 1 1 A 106 106 PRO CB C 106 31.800 32.597 -0.797 1 1 934 . 1 1 1 A 107 107 LEU H H 107 9.440 8.917 0.523 1 1 935 . 1 1 1 A 107 107 LEU HA H 107 3.980 4.221 -0.241 1 1 941 . 1 1 1 A 107 107 LEU C C 107 177.100 176.545 0.555 1 1 942 . 1 1 1 A 107 107 LEU CA C 107 57.800 57.185 0.615 1 1 943 . 1 1 1 A 107 107 LEU CB C 107 42.700 42.559 0.141 1 1 944 . 1 1 1 A 107 107 LEU N N 107 123.400 118.397 5.003 1 1 945 . 1 1 1 A 108 108 VAL H H 108 7.730 7.342 0.388 1 1 946 . 1 1 1 A 108 108 VAL HA H 108 5.010 5.304 -0.294 1 1 951 . 1 1 1 A 108 108 VAL C C 108 174.800 174.305 0.495 1 1 952 . 1 1 1 A 108 108 VAL CA C 108 59.400 58.978 0.422 1 1 953 . 1 1 1 A 108 108 VAL CB C 108 34.400 35.736 -1.336 1 1 954 . 1 1 1 A 108 108 VAL N N 108 109.700 110.317 -0.617 1 1 955 . 1 1 1 A 109 109 ILE H H 109 8.700 8.705 -0.005 1 1 956 . 1 1 1 A 109 109 ILE HA H 109 4.210 4.758 -0.548 1 1 965 . 1 1 1 A 109 109 ILE C C 109 173.500 173.673 -0.173 1 1 966 . 1 1 1 A 109 109 ILE CA C 109 59.900 58.888 1.012 1 1 967 . 1 1 1 A 109 109 ILE CB C 109 41.600 41.708 -0.108 1 1 968 . 1 1 1 A 109 109 ILE N N 109 124.500 119.534 4.966 1 1 969 . 1 1 1 A 110 110 GLU H H 110 8.410 8.095 0.315 1 1 970 . 1 1 1 A 110 110 GLU HA H 110 3.430 4.048 -0.618 1 1 973 . 1 1 1 A 110 110 GLU C C 110 176.000 176.231 -0.231 1 1 974 . 1 1 1 A 110 110 GLU CA C 110 54.700 55.633 -0.933 1 1 975 . 1 1 1 A 110 110 GLU CB C 110 29.800 30.361 -0.561 1 1 976 . 1 1 1 A 110 110 GLU N N 110 128.200 124.538 3.662 1 1 977 . 1 1 1 A 111 111 PHE H H 111 8.680 8.995 -0.315 1 1 978 . 1 1 1 A 111 111 PHE HA H 111 3.850 4.560 -0.710 1 1 981 . 1 1 1 A 111 111 PHE C C 111 173.600 174.827 -1.227 1 1 982 . 1 1 1 A 111 111 PHE CA C 111 59.500 59.315 0.185 1 1 983 . 1 1 1 A 111 111 PHE CB C 111 40.200 39.151 1.049 1 1 984 . 1 1 1 A 111 111 PHE N N 111 128.800 126.926 1.874 1 1 985 . 1 1 1 A 112 112 THR H H 112 7.310 8.424 -1.114 1 1 986 . 1 1 1 A 112 112 THR HA H 112 4.500 4.831 -0.331 1 1 991 . 1 1 1 A 112 112 THR C C 112 173.700 174.274 -0.574 1 1 992 . 1 1 1 A 112 112 THR CA C 112 59.200 60.495 -1.295 1 1 993 . 1 1 1 A 112 112 THR CB C 112 73.500 71.694 1.806 1 1 994 . 1 1 1 A 112 112 THR N N 112 119.800 121.536 -1.736 1 1 995 . 1 1 1 A 113 113 GLU H H 113 8.930 9.120 -0.190 1 1 996 . 1 1 1 A 113 113 GLU HA H 113 3.890 3.974 -0.084 1 1 1000 . 1 1 1 A 113 113 GLU C C 113 178.100 178.352 -0.252 1 1 1001 . 1 1 1 A 113 113 GLU CA C 113 59.100 59.752 -0.652 1 1 1002 . 1 1 1 A 113 113 GLU CB C 113 29.200 29.249 -0.049 1 1 1003 . 1 1 1 A 113 113 GLU N N 113 120.100 123.938 -3.838 1 1 1004 . 1 1 1 A 114 114 GLN H H 114 7.940 7.723 0.217 1 1 1005 . 1 1 1 A 114 114 GLN HA H 114 4.130 4.042 0.088 1 1 1008 . 1 1 1 A 114 114 GLN C C 114 177.800 178.637 -0.837 1 1 1009 . 1 1 1 A 114 114 GLN CA C 114 58.200 58.329 -0.129 1 1 1010 . 1 1 1 A 114 114 GLN CB C 114 28.600 28.064 0.536 1 1 1011 . 1 1 1 A 114 114 GLN N N 114 114.800 118.961 -4.161 1 1 1012 . 1 1 1 A 115 115 THR H H 115 7.500 7.644 -0.144 1 1 1013 . 1 1 1 A 115 115 THR HA H 115 4.180 3.714 0.466 1 1 1018 . 1 1 1 A 115 115 THR C C 115 175.800 175.938 -0.138 1 1 1019 . 1 1 1 A 115 115 THR CA C 115 61.900 66.372 -4.472 1 1 1020 . 1 1 1 A 115 115 THR CB C 115 69.400 68.407 0.993 1 1 1021 . 1 1 1 A 115 115 THR N N 115 109.000 118.182 -9.182 1 1 1022 . 1 1 1 A 116 116 ALA H H 116 7.770 8.109 -0.339 1 1 1023 . 1 1 1 A 116 116 ALA HA H 116 3.840 3.603 0.237 1 1 1027 . 1 1 1 A 116 116 ALA CA C 116 56.800 56.704 0.096 1 1 1028 . 1 1 1 A 116 116 ALA CB C 116 16.100 16.605 -0.505 1 1 1029 . 1 1 1 A 116 116 ALA N N 116 125.500 122.783 2.717 1 1 1030 . 1 1 1 A 117 117 PRO HA H 117 4.370 3.669 0.701 1 1 1031 . 1 1 1 A 117 117 PRO C C 117 179.500 178.722 0.778 1 1 1032 . 1 1 1 A 117 117 PRO CA C 117 65.800 65.397 0.403 1 1 1033 . 1 1 1 A 117 117 PRO CB C 117 30.800 30.466 0.334 1 1 1034 . 1 1 1 A 118 118 LYS H H 118 7.260 7.884 -0.624 1 1 1035 . 1 1 1 A 118 118 LYS HA H 118 4.140 4.009 0.131 1 1 1039 . 1 1 1 A 118 118 LYS C C 118 178.300 179.468 -1.168 1 1 1040 . 1 1 1 A 118 118 LYS CA C 118 57.500 58.783 -1.283 1 1 1041 . 1 1 1 A 118 118 LYS CB C 118 32.200 31.618 0.582 1 1 1042 . 1 1 1 A 118 118 LYS N N 118 115.800 117.522 -1.722 1 1 1043 . 1 1 1 A 119 119 ILE H H 119 7.690 7.497 0.193 1 1 1044 . 1 1 1 A 119 119 ILE HA H 119 3.440 3.903 -0.463 1 1 1053 . 1 1 1 A 119 119 ILE C C 119 177.500 178.382 -0.882 1 1 1054 . 1 1 1 A 119 119 ILE CA C 119 64.400 64.308 0.092 1 1 1055 . 1 1 1 A 119 119 ILE CB C 119 38.700 37.629 1.071 1 1 1056 . 1 1 1 A 119 119 ILE N N 119 119.300 120.737 -1.437 1 1 1057 . 1 1 1 A 120 120 PHE H H 120 8.040 8.113 -0.073 1 1 1058 . 1 1 1 A 120 120 PHE HA H 120 4.310 4.205 0.105 1 1 1061 . 1 1 1 A 120 120 PHE C C 120 176.800 178.302 -1.502 1 1 1062 . 1 1 1 A 120 120 PHE CA C 120 58.900 59.889 -0.989 1 1 1063 . 1 1 1 A 120 120 PHE CB C 120 38.400 37.970 0.430 1 1 1064 . 1 1 1 A 120 120 PHE N N 120 115.800 119.567 -3.767 1 1 1065 . 1 1 1 A 121 121 GLY H H 121 7.660 7.676 -0.016 1 1 1066 . 1 1 1 A 121 121 GLY HA2 H 121 3.830 3.987 -0.157 1 1 1067 . 1 1 1 A 121 121 GLY HA3 H 121 4.350 4.004 0.346 1 1 1068 . 1 1 1 A 121 121 GLY C C 121 174.700 175.289 -0.589 1 1 1069 . 1 1 1 A 121 121 GLY CA C 121 45.300 44.770 0.530 1 1 1070 . 1 1 1 A 121 121 GLY N N 121 106.800 108.652 -1.852 1 1 1071 . 1 1 1 A 122 122 GLY H H 122 7.620 8.456 -0.836 1 1 1072 . 1 1 1 A 122 122 GLY HA2 H 122 4.000 3.905 0.095 1 1 1073 . 1 1 1 A 122 122 GLY HA3 H 122 4.320 3.932 0.388 1 1 1074 . 1 1 1 A 122 122 GLY C C 122 173.800 174.553 -0.753 1 1 1075 . 1 1 1 A 122 122 GLY CA C 122 44.800 45.542 -0.742 1 1 1076 . 1 1 1 A 122 122 GLY N N 122 108.400 108.867 -0.467 1 1 1077 . 1 1 1 A 123 123 GLU H H 123 8.490 8.979 -0.489 1 1 1078 . 1 1 1 A 123 123 GLU HA H 123 4.160 4.057 0.103 1 1 1082 . 1 1 1 A 123 123 GLU C C 123 177.700 175.704 1.996 1 1 1083 . 1 1 1 A 123 123 GLU CA C 123 57.900 57.197 0.703 1 1 1084 . 1 1 1 A 123 123 GLU CB C 123 30.400 28.395 2.005 1 1 1085 . 1 1 1 A 123 123 GLU N N 123 117.700 118.611 -0.911 1 1 1086 . 1 1 1 A 124 124 ILE H H 124 7.890 8.595 -0.705 1 1 1087 . 1 1 1 A 124 124 ILE HA H 124 4.090 3.881 0.209 1 1 1096 . 1 1 1 A 124 124 ILE C C 124 176.700 175.062 1.638 1 1 1097 . 1 1 1 A 124 124 ILE CA C 124 62.000 62.012 -0.012 1 1 1098 . 1 1 1 A 124 124 ILE CB C 124 37.500 35.551 1.949 1 1 1099 . 1 1 1 A 124 124 ILE N N 124 119.900 118.472 1.428 1 1 1100 . 1 1 1 A 125 125 LYS H H 125 8.600 7.721 0.879 1 1 1101 . 1 1 1 A 125 125 LYS HA H 125 4.590 4.855 -0.265 1 1 1104 . 1 1 1 A 125 125 LYS C C 125 174.400 174.521 -0.121 1 1 1105 . 1 1 1 A 125 125 LYS CA C 125 55.600 54.487 1.113 1 1 1106 . 1 1 1 A 125 125 LYS CB C 125 33.000 35.640 -2.640 1 1 1107 . 1 1 1 A 125 125 LYS N N 125 125.500 124.080 1.420 1 1 1108 . 1 1 1 A 126 126 THR H H 126 6.860 8.403 -1.543 1 1 1109 . 1 1 1 A 126 126 THR HA H 126 4.940 4.867 0.073 1 1 1114 . 1 1 1 A 126 126 THR C C 126 172.000 173.779 -1.779 1 1 1115 . 1 1 1 A 126 126 THR CA C 126 62.100 61.631 0.469 1 1 1116 . 1 1 1 A 126 126 THR CB C 126 69.700 69.597 0.103 1 1 1117 . 1 1 1 A 126 126 THR N N 126 116.200 116.985 -0.785 1 1 1118 . 1 1 1 A 127 127 HIS H H 127 8.870 8.933 -0.063 1 1 1119 . 1 1 1 A 127 127 HIS HA H 127 5.470 5.666 -0.196 1 1 1121 . 1 1 1 A 127 127 HIS C C 127 173.600 172.747 0.853 1 1 1122 . 1 1 1 A 127 127 HIS CA C 127 53.700 53.806 -0.106 1 1 1123 . 1 1 1 A 127 127 HIS CB C 127 35.300 33.277 2.023 1 1 1124 . 1 1 1 A 127 127 HIS N N 127 125.900 122.991 2.909 1 1 1125 . 1 1 1 A 128 128 ILE H H 128 9.200 8.987 0.213 1 1 1126 . 1 1 1 A 128 128 ILE HA H 128 4.890 4.891 -0.001 1 1 1134 . 1 1 1 A 128 128 ILE C C 128 171.100 174.212 -3.112 1 1 1135 . 1 1 1 A 128 128 ILE CA C 128 58.900 59.406 -0.506 1 1 1136 . 1 1 1 A 128 128 ILE CB C 128 40.200 40.027 0.173 1 1 1137 . 1 1 1 A 128 128 ILE N N 128 122.600 118.715 3.885 1 1 1138 . 1 1 1 A 129 129 LEU H H 129 9.070 9.566 -0.496 1 1 1139 . 1 1 1 A 129 129 LEU HA H 129 5.040 5.404 -0.364 1 1 1148 . 1 1 1 A 129 129 LEU C C 129 174.300 174.375 -0.075 1 1 1149 . 1 1 1 A 129 129 LEU CA C 129 53.400 53.403 -0.003 1 1 1150 . 1 1 1 A 129 129 LEU CB C 129 43.600 45.096 -1.496 1 1 1151 . 1 1 1 A 129 129 LEU N N 129 128.800 126.148 2.652 1 1 1152 . 1 1 1 A 130 130 LEU H H 130 8.680 9.406 -0.726 1 1 1153 . 1 1 1 A 130 130 LEU HA H 130 4.640 5.355 -0.715 1 1 1162 . 1 1 1 A 130 130 LEU C C 130 174.400 174.976 -0.576 1 1 1163 . 1 1 1 A 130 130 LEU CA C 130 52.700 52.896 -0.196 1 1 1164 . 1 1 1 A 130 130 LEU CB C 130 41.600 46.186 -4.586 1 1 1165 . 1 1 1 A 130 130 LEU N N 130 123.200 128.421 -5.221 1 1 1166 . 1 1 1 A 131 131 PHE H H 131 9.100 9.005 0.095 1 1 1167 . 1 1 1 A 131 131 PHE HA H 131 4.630 4.775 -0.145 1 1 1170 . 1 1 1 A 131 131 PHE C C 131 173.600 173.831 -0.231 1 1 1171 . 1 1 1 A 131 131 PHE CA C 131 56.800 56.329 0.471 1 1 1172 . 1 1 1 A 131 131 PHE CB C 131 39.200 39.920 -0.720 1 1 1173 . 1 1 1 A 131 131 PHE N N 131 127.500 128.407 -0.907 1 1 1174 . 1 1 1 A 132 132 LEU H H 132 9.000 8.633 0.367 1 1 1175 . 1 1 1 A 132 132 LEU HA H 132 5.020 4.532 0.488 1 1 1183 . 1 1 1 A 132 132 LEU CA C 132 50.700 50.824 -0.124 1 1 1184 . 1 1 1 A 132 132 LEU CB C 132 44.400 44.084 0.316 1 1 1185 . 1 1 1 A 132 132 LEU N N 132 127.100 128.799 -1.699 1 1 1186 . 1 1 1 A 133 133 PRO HA H 133 4.770 4.383 0.387 1 1 1187 . 1 1 1 A 133 133 PRO C C 133 179.100 178.586 0.514 1 1 1188 . 1 1 1 A 133 133 PRO CA C 133 62.300 65.961 -3.661 1 1 1189 . 1 1 1 A 133 133 PRO CB C 133 31.600 31.109 0.491 1 1 1190 . 1 1 1 A 134 134 LYS H H 134 8.300 7.669 0.631 1 1 1191 . 1 1 1 A 134 134 LYS HA H 134 4.070 4.001 0.069 1 1 1195 . 1 1 1 A 134 134 LYS C C 134 176.700 176.351 0.349 1 1 1196 . 1 1 1 A 134 134 LYS CA C 134 58.900 59.335 -0.435 1 1 1197 . 1 1 1 A 134 134 LYS CB C 134 32.000 32.936 -0.936 1 1 1198 . 1 1 1 A 134 134 LYS N N 134 123.900 117.936 5.964 1 1 1199 . 1 1 1 A 135 135 SER H H 135 7.610 7.948 -0.338 1 1 1200 . 1 1 1 A 135 135 SER HA H 135 4.250 4.373 -0.123 1 1 1202 . 1 1 1 A 135 135 SER C C 135 175.200 173.616 1.584 1 1 1203 . 1 1 1 A 135 135 SER CA C 135 58.200 60.386 -2.186 1 1 1204 . 1 1 1 A 135 135 SER CB C 135 63.300 61.982 1.318 1 1 1205 . 1 1 1 A 135 135 SER N N 135 108.200 113.911 -5.711 1 1 1206 . 1 1 1 A 136 136 VAL H H 136 7.500 7.651 -0.151 1 1 1207 . 1 1 1 A 136 136 VAL HA H 136 4.210 4.068 0.142 1 1 1215 . 1 1 1 A 136 136 VAL C C 136 175.100 176.853 -1.753 1 1 1216 . 1 1 1 A 136 136 VAL CA C 136 61.900 64.632 -2.732 1 1 1217 . 1 1 1 A 136 136 VAL CB C 136 32.600 32.004 0.596 1 1 1218 . 1 1 1 A 136 136 VAL N N 136 122.800 122.660 0.140 1 1 1219 . 1 1 1 A 137 137 SER H H 137 8.450 9.385 -0.935 1 1 1220 . 1 1 1 A 137 137 SER HA H 137 4.300 4.657 -0.357 1 1 1222 . 1 1 1 A 137 137 SER C C 137 175.200 173.892 1.308 1 1 1223 . 1 1 1 A 137 137 SER CA C 137 59.700 60.242 -0.542 1 1 1224 . 1 1 1 A 137 137 SER CB C 137 63.000 62.874 0.126 1 1 1225 . 1 1 1 A 137 137 SER N N 137 120.800 119.641 1.159 1 1 1226 . 1 1 1 A 138 138 ASP H H 138 8.980 8.206 0.774 1 1 1227 . 1 1 1 A 138 138 ASP HA H 138 4.630 4.471 0.159 1 1 1230 . 1 1 1 A 138 138 ASP C C 138 174.800 176.946 -2.146 1 1 1231 . 1 1 1 A 138 138 ASP CA C 138 54.000 53.785 0.215 1 1 1232 . 1 1 1 A 138 138 ASP CB C 138 39.300 40.694 -1.394 1 1 1233 . 1 1 1 A 138 138 ASP N N 138 122.400 120.751 1.649 1 1 1234 . 1 1 1 A 139 139 TYR H H 139 7.620 8.265 -0.645 1 1 1235 . 1 1 1 A 139 139 TYR HA H 139 3.530 4.132 -0.602 1 1 1238 . 1 1 1 A 139 139 TYR C C 139 176.400 177.953 -1.553 1 1 1239 . 1 1 1 A 139 139 TYR CA C 139 62.800 60.906 1.894 1 1 1240 . 1 1 1 A 139 139 TYR CB C 139 39.100 37.220 1.880 1 1 1241 . 1 1 1 A 139 139 TYR N N 139 120.500 118.494 2.006 1 1 1242 . 1 1 1 A 140 140 ASP H H 140 8.690 7.413 1.277 1 1 1243 . 1 1 1 A 140 140 ASP HA H 140 4.210 4.272 -0.062 1 1 1245 . 1 1 1 A 140 140 ASP C C 140 179.300 179.313 -0.013 1 1 1246 . 1 1 1 A 140 140 ASP CA C 140 57.200 56.918 0.282 1 1 1247 . 1 1 1 A 140 140 ASP CB C 140 40.400 40.331 0.069 1 1 1248 . 1 1 1 A 140 140 ASP N N 140 115.200 122.018 -6.818 1 1 1249 . 1 1 1 A 141 141 GLY H H 141 7.800 8.092 -0.292 1 1 1250 . 1 1 1 A 141 141 GLY HA2 H 141 3.800 3.688 0.112 1 1 1251 . 1 1 1 A 141 141 GLY HA3 H 141 4.070 3.702 0.368 1 1 1252 . 1 1 1 A 141 141 GLY C C 141 176.800 175.839 0.961 1 1 1253 . 1 1 1 A 141 141 GLY CA C 141 47.000 47.276 -0.276 1 1 1254 . 1 1 1 A 141 141 GLY N N 141 110.300 108.160 2.140 1 1 1255 . 1 1 1 A 142 142 LYS H H 142 8.010 8.766 -0.756 1 1 1256 . 1 1 1 A 142 142 LYS HA H 142 4.030 4.130 -0.100 1 1 1259 . 1 1 1 A 142 142 LYS C C 142 179.000 178.604 0.396 1 1 1260 . 1 1 1 A 142 142 LYS CA C 142 59.700 59.217 0.483 1 1 1261 . 1 1 1 A 142 142 LYS CB C 142 33.000 32.378 0.622 1 1 1262 . 1 1 1 A 142 142 LYS N N 142 123.200 121.920 1.280 1 1 1263 . 1 1 1 A 143 143 LEU H H 143 8.090 8.342 -0.252 1 1 1264 . 1 1 1 A 143 143 LEU HA H 143 3.760 4.062 -0.302 1 1 1273 . 1 1 1 A 143 143 LEU C C 143 179.000 179.068 -0.068 1 1 1274 . 1 1 1 A 143 143 LEU CA C 143 57.500 57.928 -0.428 1 1 1275 . 1 1 1 A 143 143 LEU CB C 143 40.600 41.297 -0.697 1 1 1276 . 1 1 1 A 143 143 LEU N N 143 120.000 121.896 -1.896 1 1 1277 . 1 1 1 A 144 144 SER H H 144 8.350 8.167 0.183 1 1 1278 . 1 1 1 A 144 144 SER HA H 144 4.120 4.040 0.080 1 1 1280 . 1 1 1 A 144 144 SER C C 144 177.300 176.615 0.685 1 1 1281 . 1 1 1 A 144 144 SER CA C 144 61.900 62.096 -0.196 1 1 1282 . 1 1 1 A 144 144 SER CB C 144 62.300 62.845 -0.545 1 1 1283 . 1 1 1 A 144 144 SER N N 144 114.600 115.618 -1.018 1 1 1284 . 1 1 1 A 145 145 ASN H H 145 7.980 8.183 -0.203 1 1 1285 . 1 1 1 A 145 145 ASN HA H 145 4.460 4.649 -0.189 1 1 1288 . 1 1 1 A 145 145 ASN C C 145 176.300 178.123 -1.823 1 1 1289 . 1 1 1 A 145 145 ASN CA C 145 56.600 56.169 0.431 1 1 1290 . 1 1 1 A 145 145 ASN CB C 145 38.600 38.309 0.291 1 1 1291 . 1 1 1 A 145 145 ASN N N 145 121.600 120.618 0.982 1 1 1292 . 1 1 1 A 146 146 PHE H H 146 7.710 8.699 -0.989 1 1 1293 . 1 1 1 A 146 146 PHE HA H 146 4.370 4.331 0.039 1 1 1296 . 1 1 1 A 146 146 PHE C C 146 176.200 178.331 -2.131 1 1 1297 . 1 1 1 A 146 146 PHE CA C 146 61.500 61.392 0.108 1 1 1298 . 1 1 1 A 146 146 PHE CB C 146 40.500 38.982 1.518 1 1 1299 . 1 1 1 A 146 146 PHE N N 146 121.800 118.727 3.073 1 1 1300 . 1 1 1 A 147 147 LYS H H 147 8.510 8.485 0.025 1 1 1301 . 1 1 1 A 147 147 LYS HA H 147 3.620 4.071 -0.451 1 1 1305 . 1 1 1 A 147 147 LYS C C 147 178.200 178.574 -0.374 1 1 1306 . 1 1 1 A 147 147 LYS CA C 147 59.600 59.800 -0.200 1 1 1307 . 1 1 1 A 147 147 LYS CB C 147 32.400 32.263 0.137 1 1 1308 . 1 1 1 A 147 147 LYS N N 147 117.700 119.075 -1.375 1 1 1309 . 1 1 1 A 148 148 THR H H 148 8.280 7.989 0.291 1 1 1310 . 1 1 1 A 148 148 THR HA H 148 3.870 4.050 -0.180 1 1 1315 . 1 1 1 A 148 148 THR C C 148 177.200 177.355 -0.155 1 1 1316 . 1 1 1 A 148 148 THR CA C 148 66.600 66.389 0.211 1 1 1317 . 1 1 1 A 148 148 THR CB C 148 68.200 68.116 0.084 1 1 1318 . 1 1 1 A 148 148 THR N N 148 116.200 113.492 2.708 1 1 1319 . 1 1 1 A 149 149 ALA H H 149 7.570 8.433 -0.863 1 1 1320 . 1 1 1 A 149 149 ALA HA H 149 4.030 4.109 -0.079 1 1 1324 . 1 1 1 A 149 149 ALA C C 149 177.700 179.561 -1.861 1 1 1325 . 1 1 1 A 149 149 ALA CA C 149 54.900 55.508 -0.608 1 1 1326 . 1 1 1 A 149 149 ALA CB C 149 18.700 18.226 0.474 1 1 1327 . 1 1 1 A 149 149 ALA N N 149 124.000 124.269 -0.269 1 1 1328 . 1 1 1 A 150 150 ALA H H 150 7.360 8.871 -1.511 1 1 1329 . 1 1 1 A 150 150 ALA HA H 150 1.860 3.687 -1.827 1 1 1333 . 1 1 1 A 150 150 ALA C C 150 180.600 180.370 0.230 1 1 1334 . 1 1 1 A 150 150 ALA CA C 150 53.900 55.326 -1.426 1 1 1335 . 1 1 1 A 150 150 ALA CB C 150 19.500 18.189 1.311 1 1 1336 . 1 1 1 A 150 150 ALA N N 150 119.700 120.608 -0.908 1 1 1337 . 1 1 1 A 151 151 GLU H H 151 7.050 8.595 -1.545 1 1 1338 . 1 1 1 A 151 151 GLU HA H 151 3.680 4.048 -0.368 1 1 1342 . 1 1 1 A 151 151 GLU C C 151 178.500 178.922 -0.422 1 1 1343 . 1 1 1 A 151 151 GLU CA C 151 59.000 59.256 -0.256 1 1 1344 . 1 1 1 A 151 151 GLU CB C 151 30.000 29.475 0.525 1 1 1345 . 1 1 1 A 151 151 GLU N N 151 114.200 118.295 -4.095 1 1 1346 . 1 1 1 A 152 152 SER H H 152 7.510 8.050 -0.540 1 1 1347 . 1 1 1 A 152 152 SER HA H 152 4.160 4.186 -0.026 1 1 1350 . 1 1 1 A 152 152 SER C C 152 173.400 175.562 -2.162 1 1 1351 . 1 1 1 A 152 152 SER CA C 152 60.600 62.696 -2.096 1 1 1352 . 1 1 1 A 152 152 SER CB C 152 63.500 63.387 0.113 1 1 1353 . 1 1 1 A 152 152 SER N N 152 111.900 117.154 -5.254 1 1 1354 . 1 1 1 A 153 153 PHE H H 153 7.240 7.998 -0.758 1 1 1355 . 1 1 1 A 153 153 PHE HA H 153 4.750 4.849 -0.099 1 1 1358 . 1 1 1 A 153 153 PHE C C 153 174.600 174.959 -0.359 1 1 1359 . 1 1 1 A 153 153 PHE CA C 153 57.200 56.736 0.464 1 1 1360 . 1 1 1 A 153 153 PHE CB C 153 41.300 38.540 2.760 1 1 1361 . 1 1 1 A 153 153 PHE N N 153 115.800 116.071 -0.271 1 1 1362 . 1 1 1 A 154 154 LYS H H 154 7.320 7.301 0.019 1 1 1363 . 1 1 1 A 154 154 LYS HA H 154 4.380 4.154 0.226 1 1 1368 . 1 1 1 A 154 154 LYS C C 154 178.200 176.911 1.289 1 1 1369 . 1 1 1 A 154 154 LYS CA C 154 58.500 56.670 1.830 1 1 1370 . 1 1 1 A 154 154 LYS CB C 154 31.900 32.132 -0.232 1 1 1371 . 1 1 1 A 154 154 LYS N N 154 124.000 118.754 5.246 1 1 1372 . 1 1 1 A 155 155 GLY H H 155 9.720 8.922 0.798 1 1 1373 . 1 1 1 A 155 155 GLY HA2 H 155 3.620 4.008 -0.388 1 1 1374 . 1 1 1 A 155 155 GLY HA3 H 155 4.290 4.014 0.276 1 1 1375 . 1 1 1 A 155 155 GLY C C 155 173.200 173.941 -0.741 1 1 1376 . 1 1 1 A 155 155 GLY CA C 155 45.500 45.703 -0.203 1 1 1377 . 1 1 1 A 155 155 GLY N N 155 115.400 112.522 2.878 1 1 1378 . 1 1 1 A 156 156 LYS H H 156 8.400 7.847 0.553 1 1 1379 . 1 1 1 A 156 156 LYS HA H 156 4.630 4.656 -0.026 1 1 1383 . 1 1 1 A 156 156 LYS C C 156 175.000 175.743 -0.743 1 1 1384 . 1 1 1 A 156 156 LYS CA C 156 57.100 57.322 -0.222 1 1 1385 . 1 1 1 A 156 156 LYS CB C 156 35.800 35.650 0.150 1 1 1386 . 1 1 1 A 156 156 LYS N N 156 118.700 120.253 -1.553 1 1 1387 . 1 1 1 A 157 157 ILE H H 157 7.890 7.302 0.588 1 1 1388 . 1 1 1 A 157 157 ILE HA H 157 4.330 5.087 -0.757 1 1 1396 . 1 1 1 A 157 157 ILE C C 157 175.000 173.597 1.403 1 1 1397 . 1 1 1 A 157 157 ILE CA C 157 60.400 59.934 0.466 1 1 1398 . 1 1 1 A 157 157 ILE CB C 157 43.600 41.709 1.891 1 1 1399 . 1 1 1 A 157 157 ILE N N 157 116.600 118.065 -1.465 1 1 1400 . 1 1 1 A 158 158 LEU H H 158 8.300 8.649 -0.349 1 1 1401 . 1 1 1 A 158 158 LEU HA H 158 4.840 4.999 -0.159 1 1 1410 . 1 1 1 A 158 158 LEU C C 158 175.000 175.655 -0.655 1 1 1411 . 1 1 1 A 158 158 LEU CA C 158 54.500 53.258 1.242 1 1 1412 . 1 1 1 A 158 158 LEU CB C 158 43.300 44.642 -1.342 1 1 1413 . 1 1 1 A 158 158 LEU N N 158 129.800 125.218 4.582 1 1 1414 . 1 1 1 A 159 159 PHE H H 159 9.310 8.666 0.644 1 1 1415 . 1 1 1 A 159 159 PHE HA H 159 4.890 5.191 -0.301 1 1 1418 . 1 1 1 A 159 159 PHE C C 159 178.500 176.081 2.419 1 1 1419 . 1 1 1 A 159 159 PHE CA C 159 56.600 57.398 -0.798 1 1 1420 . 1 1 1 A 159 159 PHE CB C 159 39.100 40.559 -1.459 1 1 1421 . 1 1 1 A 159 159 PHE N N 159 130.000 122.390 7.610 1 1 1422 . 1 1 1 A 160 160 ILE H H 160 9.130 9.847 -0.717 1 1 1423 . 1 1 1 A 160 160 ILE HA H 160 5.470 4.988 0.482 1 1 1431 . 1 1 1 A 160 160 ILE C C 160 174.500 175.601 -1.101 1 1 1432 . 1 1 1 A 160 160 ILE CA C 160 58.700 59.538 -0.838 1 1 1433 . 1 1 1 A 160 160 ILE CB C 160 42.000 40.591 1.409 1 1 1434 . 1 1 1 A 160 160 ILE N N 160 124.100 120.337 3.763 1 1 1435 . 1 1 1 A 161 161 PHE H H 161 8.920 7.944 0.976 1 1 1436 . 1 1 1 A 161 161 PHE HA H 161 5.780 6.014 -0.234 1 1 1439 . 1 1 1 A 161 161 PHE C C 161 172.800 173.714 -0.914 1 1 1440 . 1 1 1 A 161 161 PHE CA C 161 54.500 54.884 -0.384 1 1 1441 . 1 1 1 A 161 161 PHE CB C 161 42.700 42.505 0.195 1 1 1442 . 1 1 1 A 161 161 PHE N N 161 122.600 118.862 3.738 1 1 1443 . 1 1 1 A 162 162 ILE H H 162 8.780 9.684 -0.904 1 1 1444 . 1 1 1 A 162 162 ILE HA H 162 4.310 4.966 -0.656 1 1 1451 . 1 1 1 A 162 162 ILE C C 162 174.000 174.106 -0.106 1 1 1452 . 1 1 1 A 162 162 ILE CA C 162 59.600 59.209 0.391 1 1 1453 . 1 1 1 A 162 162 ILE CB C 162 42.300 40.986 1.314 1 1 1454 . 1 1 1 A 162 162 ILE N N 162 121.400 118.244 3.156 1 1 1455 . 1 1 1 A 163 163 ASP H H 163 8.410 8.646 -0.236 1 1 1456 . 1 1 1 A 163 163 ASP HA H 163 5.370 4.789 0.581 1 1 1459 . 1 1 1 A 163 163 ASP C C 163 178.300 176.883 1.417 1 1 1460 . 1 1 1 A 163 163 ASP CA C 163 52.600 54.060 -1.460 1 1 1461 . 1 1 1 A 163 163 ASP CB C 163 40.500 41.758 -1.258 1 1 1462 . 1 1 1 A 163 163 ASP N N 163 123.800 126.874 -3.074 1 1 1463 . 1 1 1 A 164 164 SER H H 164 7.470 9.031 -1.561 1 1 1464 . 1 1 1 A 164 164 SER HA H 164 3.990 4.235 -0.245 1 1 1467 . 1 1 1 A 164 164 SER C C 164 173.900 173.802 0.098 1 1 1468 . 1 1 1 A 164 164 SER CA C 164 60.500 62.035 -1.535 1 1 1469 . 1 1 1 A 164 164 SER CB C 164 64.500 62.788 1.712 1 1 1470 . 1 1 1 A 164 164 SER N N 164 124.000 121.450 2.550 1 1 1471 . 1 1 1 A 165 165 ASP H H 165 8.360 8.099 0.261 1 1 1472 . 1 1 1 A 165 165 ASP HA H 165 4.670 4.459 0.211 1 1 1475 . 1 1 1 A 165 165 ASP C C 165 177.400 176.863 0.537 1 1 1476 . 1 1 1 A 165 165 ASP CA C 165 55.600 55.379 0.221 1 1 1477 . 1 1 1 A 165 165 ASP CB C 165 41.300 39.059 2.241 1 1 1478 . 1 1 1 A 165 165 ASP N N 165 119.300 119.575 -0.275 1 1 1479 . 1 1 1 A 166 166 HIS H H 166 7.260 8.299 -1.039 1 1 1480 . 1 1 1 A 166 166 HIS HA H 166 4.400 4.419 -0.019 1 1 1482 . 1 1 1 A 166 166 HIS CA C 166 58.300 58.298 0.002 1 1 1483 . 1 1 1 A 166 166 HIS CB C 166 31.900 28.461 3.439 1 1 1484 . 1 1 1 A 166 166 HIS N N 166 121.400 116.789 4.611 1 1 1485 . 1 1 1 A 167 167 THR HA H 167 4.050 4.303 -0.253 1 1 1490 . 1 1 1 A 167 167 THR C C 167 176.800 175.842 0.958 1 1 1491 . 1 1 1 A 167 167 THR CA C 167 66.000 62.368 3.632 1 1 1492 . 1 1 1 A 167 167 THR CB C 167 68.600 69.498 -0.898 1 1 1493 . 1 1 1 A 168 168 ASP H H 168 11.030 8.231 2.799 1 1 1494 . 1 1 1 A 168 168 ASP HA H 168 4.640 4.441 0.199 1 1 1497 . 1 1 1 A 168 168 ASP C C 168 177.500 177.640 -0.140 1 1 1498 . 1 1 1 A 168 168 ASP CA C 168 56.800 57.043 -0.243 1 1 1499 . 1 1 1 A 168 168 ASP CB C 168 39.800 40.788 -0.988 1 1 1500 . 1 1 1 A 168 168 ASP N N 168 124.900 121.968 2.932 1 1 1501 . 1 1 1 A 169 169 ASN H H 169 7.970 8.733 -0.763 1 1 1502 . 1 1 1 A 169 169 ASN HA H 169 5.260 4.866 0.394 1 1 1505 . 1 1 1 A 169 169 ASN C C 169 176.100 176.216 -0.116 1 1 1506 . 1 1 1 A 169 169 ASN CA C 169 52.700 53.394 -0.694 1 1 1507 . 1 1 1 A 169 169 ASN CB C 169 38.600 38.882 -0.282 1 1 1508 . 1 1 1 A 169 169 ASN N N 169 114.600 116.417 -1.817 1 1 1509 . 1 1 1 A 170 170 GLN H H 170 7.660 8.542 -0.882 1 1 1510 . 1 1 1 A 170 170 GLN HA H 170 4.020 4.045 -0.025 1 1 1513 . 1 1 1 A 170 170 GLN C C 170 178.100 178.263 -0.163 1 1 1514 . 1 1 1 A 170 170 GLN CA C 170 59.500 58.945 0.555 1 1 1515 . 1 1 1 A 170 170 GLN CB C 170 28.000 28.386 -0.386 1 1 1516 . 1 1 1 A 170 170 GLN N N 170 121.400 119.136 2.264 1 1 1517 . 1 1 1 A 171 171 ARG H H 171 8.570 7.862 0.708 1 1 1518 . 1 1 1 A 171 171 ARG HA H 171 4.250 4.095 0.155 1 1 1521 . 1 1 1 A 171 171 ARG C C 171 178.700 178.843 -0.143 1 1 1522 . 1 1 1 A 171 171 ARG CA C 171 58.700 58.888 -0.188 1 1 1523 . 1 1 1 A 171 171 ARG CB C 171 29.100 30.068 -0.968 1 1 1524 . 1 1 1 A 171 171 ARG N N 171 117.500 119.304 -1.804 1 1 1525 . 1 1 1 A 172 172 ILE H H 172 7.700 8.041 -0.341 1 1 1526 . 1 1 1 A 172 172 ILE HA H 172 4.010 3.667 0.343 1 1 1534 . 1 1 1 A 172 172 ILE C C 172 177.600 178.430 -0.830 1 1 1535 . 1 1 1 A 172 172 ILE CA C 172 63.300 65.506 -2.206 1 1 1536 . 1 1 1 A 172 172 ILE CB C 172 37.000 37.783 -0.783 1 1 1537 . 1 1 1 A 172 172 ILE N N 172 121.000 120.012 0.988 1 1 1538 . 1 1 1 A 173 173 LEU H H 173 7.400 8.054 -0.654 1 1 1539 . 1 1 1 A 173 173 LEU HA H 173 3.740 3.945 -0.205 1 1 1548 . 1 1 1 A 173 173 LEU C C 173 179.500 179.043 0.457 1 1 1549 . 1 1 1 A 173 173 LEU CA C 173 60.500 58.083 2.417 1 1 1550 . 1 1 1 A 173 173 LEU CB C 173 40.500 41.204 -0.704 1 1 1551 . 1 1 1 A 173 173 LEU N N 173 121.400 120.014 1.386 1 1 1552 . 1 1 1 A 174 174 GLU H H 174 8.030 8.074 -0.044 1 1 1553 . 1 1 1 A 174 174 GLU HA H 174 4.000 3.890 0.110 1 1 1557 . 1 1 1 A 174 174 GLU C C 174 180.200 178.755 1.445 1 1 1558 . 1 1 1 A 174 174 GLU CA C 174 59.200 59.674 -0.474 1 1 1559 . 1 1 1 A 174 174 GLU CB C 174 29.300 29.601 -0.301 1 1 1560 . 1 1 1 A 174 174 GLU N N 174 117.200 120.190 -2.990 1 1 1561 . 1 1 1 A 175 175 PHE H H 175 8.000 7.875 0.125 1 1 1562 . 1 1 1 A 175 175 PHE HA H 175 4.150 4.249 -0.099 1 1 1565 . 1 1 1 A 175 175 PHE C C 175 176.400 178.333 -1.933 1 1 1566 . 1 1 1 A 175 175 PHE CA C 175 60.800 61.523 -0.723 1 1 1567 . 1 1 1 A 175 175 PHE CB C 175 38.700 39.027 -0.327 1 1 1568 . 1 1 1 A 175 175 PHE N N 175 122.000 120.867 1.133 1 1 1569 . 1 1 1 A 176 176 PHE H H 176 7.510 7.852 -0.342 1 1 1570 . 1 1 1 A 176 176 PHE HA H 176 4.110 4.322 -0.212 1 1 1573 . 1 1 1 A 176 176 PHE C C 176 175.000 175.649 -0.649 1 1 1574 . 1 1 1 A 176 176 PHE CA C 176 59.300 59.868 -0.568 1 1 1575 . 1 1 1 A 176 176 PHE CB C 176 40.000 39.646 0.354 1 1 1576 . 1 1 1 A 176 176 PHE N N 176 113.100 119.946 -6.846 1 1 1577 . 1 1 1 A 177 177 GLY H H 177 8.030 7.809 0.221 1 1 1578 . 1 1 1 A 177 177 GLY HA2 H 177 3.850 3.807 0.043 1 1 1579 . 1 1 1 A 177 177 GLY C C 177 173.900 174.157 -0.257 1 1 1580 . 1 1 1 A 177 177 GLY CA C 177 46.500 46.893 -0.393 1 1 1581 . 1 1 1 A 177 177 GLY N N 177 110.900 108.727 2.173 1 1 1582 . 1 1 1 A 178 178 LEU H H 178 7.730 7.734 -0.004 1 1 1583 . 1 1 1 A 178 178 LEU HA H 178 4.440 4.873 -0.433 1 1 1592 . 1 1 1 A 178 178 LEU C C 178 175.800 174.902 0.898 1 1 1593 . 1 1 1 A 178 178 LEU CA C 178 53.500 53.504 -0.004 1 1 1594 . 1 1 1 A 178 178 LEU CB C 178 45.900 45.859 0.041 1 1 1595 . 1 1 1 A 178 178 LEU N N 178 120.700 121.082 -0.382 1 1 1596 . 1 1 1 A 179 179 LYS H H 179 8.170 8.443 -0.273 1 1 1597 . 1 1 1 A 179 179 LYS HA H 179 4.530 4.705 -0.175 1 1 1600 . 1 1 1 A 179 179 LYS C C 179 178.500 177.156 1.344 1 1 1601 . 1 1 1 A 179 179 LYS CA C 179 54.000 54.853 -0.853 1 1 1602 . 1 1 1 A 179 179 LYS CB C 179 34.100 34.451 -0.351 1 1 1603 . 1 1 1 A 179 179 LYS N N 179 119.500 124.269 -4.769 1 1 1604 . 1 1 1 A 180 180 LYS H H 180 9.110 8.721 0.389 1 1 1605 . 1 1 1 A 180 180 LYS HA H 180 3.820 3.963 -0.143 1 1 1609 . 1 1 1 A 180 180 LYS C C 180 179.600 178.178 1.422 1 1 1610 . 1 1 1 A 180 180 LYS CA C 180 60.900 60.608 0.292 1 1 1611 . 1 1 1 A 180 180 LYS CB C 180 32.100 32.221 -0.121 1 1 1612 . 1 1 1 A 180 180 LYS N N 180 124.200 122.021 2.179 1 1 1613 . 1 1 1 A 181 181 GLU H H 181 9.460 8.376 1.084 1 1 1614 . 1 1 1 A 181 181 GLU HA H 181 4.220 4.331 -0.111 1 1 1617 . 1 1 1 A 181 181 GLU C C 181 176.700 176.535 0.165 1 1 1618 . 1 1 1 A 181 181 GLU CA C 181 58.700 57.647 1.053 1 1 1619 . 1 1 1 A 181 181 GLU CB C 181 28.300 29.327 -1.027 1 1 1620 . 1 1 1 A 181 181 GLU N N 181 116.600 118.928 -2.328 1 1 1621 . 1 1 1 A 182 182 GLU H H 182 7.660 8.317 -0.657 1 1 1622 . 1 1 1 A 182 182 GLU HA H 182 4.320 4.253 0.067 1 1 1625 . 1 1 1 A 182 182 GLU C C 182 174.900 175.866 -0.966 1 1 1626 . 1 1 1 A 182 182 GLU CA C 182 55.700 56.321 -0.621 1 1 1627 . 1 1 1 A 182 182 GLU CB C 182 30.600 28.716 1.884 1 1 1628 . 1 1 1 A 182 182 GLU N N 182 118.300 119.188 -0.888 1 1 1629 . 1 1 1 A 183 183 CYS H H 183 7.090 8.413 -1.323 1 1 1630 . 1 1 1 A 183 183 CYS HA H 183 4.270 5.121 -0.851 1 1 1633 . 1 1 1 A 183 183 CYS CA C 183 58.200 57.247 0.953 1 1 1634 . 1 1 1 A 183 183 CYS CB C 183 27.400 29.172 -1.772 1 1 1635 . 1 1 1 A 183 183 CYS N N 183 117.700 121.864 -4.164 1 1 1636 . 1 1 1 A 184 184 PRO HA H 184 5.370 4.986 0.384 1 1 1637 . 1 1 1 A 184 184 PRO C C 184 174.300 175.988 -1.688 1 1 1638 . 1 1 1 A 184 184 PRO CA C 184 61.500 63.464 -1.964 1 1 1639 . 1 1 1 A 184 184 PRO CB C 184 36.000 32.629 3.371 1 1 1640 . 1 1 1 A 185 185 ALA H H 185 8.370 8.763 -0.393 1 1 1641 . 1 1 1 A 185 185 ALA HA H 185 4.790 4.941 -0.151 1 1 1645 . 1 1 1 A 185 185 ALA C C 185 174.800 175.325 -0.525 1 1 1646 . 1 1 1 A 185 185 ALA CA C 185 51.600 51.175 0.425 1 1 1647 . 1 1 1 A 185 185 ALA CB C 185 23.400 23.660 -0.260 1 1 1648 . 1 1 1 A 185 185 ALA N N 185 123.000 121.616 1.384 1 1 1649 . 1 1 1 A 186 186 VAL H H 186 8.660 8.728 -0.068 1 1 1650 . 1 1 1 A 186 186 VAL HA H 186 5.710 4.930 0.780 1 1 1655 . 1 1 1 A 186 186 VAL C C 186 176.500 174.687 1.813 1 1 1656 . 1 1 1 A 186 186 VAL CA C 186 59.300 61.711 -2.411 1 1 1657 . 1 1 1 A 186 186 VAL CB C 186 35.300 33.746 1.554 1 1 1658 . 1 1 1 A 186 186 VAL N N 186 117.900 119.751 -1.851 1 1 1659 . 1 1 1 A 187 187 ARG H H 187 8.910 9.435 -0.525 1 1 1660 . 1 1 1 A 187 187 ARG HA H 187 5.000 5.298 -0.298 1 1 1663 . 1 1 1 A 187 187 ARG C C 187 172.600 174.389 -1.789 1 1 1664 . 1 1 1 A 187 187 ARG CA C 187 53.000 54.316 -1.316 1 1 1665 . 1 1 1 A 187 187 ARG CB C 187 35.900 34.120 1.780 1 1 1666 . 1 1 1 A 187 187 ARG N N 187 123.000 128.590 -5.590 1 1 1667 . 1 1 1 A 188 188 LEU H H 188 8.790 8.968 -0.178 1 1 1668 . 1 1 1 A 188 188 LEU HA H 188 5.420 5.182 0.238 1 1 1677 . 1 1 1 A 188 188 LEU C C 188 174.600 176.226 -1.626 1 1 1678 . 1 1 1 A 188 188 LEU CA C 188 54.300 53.459 0.841 1 1 1679 . 1 1 1 A 188 188 LEU CB C 188 47.300 44.772 2.528 1 1 1680 . 1 1 1 A 188 188 LEU N N 188 124.700 126.778 -2.078 1 1 1681 . 1 1 1 A 189 189 ILE H H 189 9.590 8.951 0.639 1 1 1682 . 1 1 1 A 189 189 ILE HA H 189 5.880 5.302 0.578 1 1 1690 . 1 1 1 A 189 189 ILE C C 189 173.500 175.765 -2.265 1 1 1691 . 1 1 1 A 189 189 ILE CA C 189 58.400 59.932 -1.532 1 1 1692 . 1 1 1 A 189 189 ILE CB C 189 43.000 41.833 1.167 1 1 1693 . 1 1 1 A 189 189 ILE N N 189 121.800 122.306 -0.506 1 1 1694 . 1 1 1 A 190 190 THR H H 190 8.750 8.772 -0.022 1 1 1695 . 1 1 1 A 190 190 THR HA H 190 5.360 5.278 0.082 1 1 1700 . 1 1 1 A 190 190 THR C C 190 174.300 173.161 1.139 1 1 1701 . 1 1 1 A 190 190 THR CA C 190 58.800 59.699 -0.899 1 1 1702 . 1 1 1 A 190 190 THR CB C 190 70.400 72.022 -1.622 1 1 1703 . 1 1 1 A 190 190 THR N N 190 114.200 117.152 -2.952 1 1 1704 . 1 1 1 A 191 191 LEU H H 191 8.610 8.560 0.050 1 1 1705 . 1 1 1 A 191 191 LEU HA H 191 4.640 4.965 -0.325 1 1 1711 . 1 1 1 A 191 191 LEU C C 191 176.400 175.406 0.994 1 1 1712 . 1 1 1 A 191 191 LEU CA C 191 54.500 54.276 0.224 1 1 1713 . 1 1 1 A 191 191 LEU CB C 191 42.300 45.889 -3.589 1 1 1714 . 1 1 1 A 191 191 LEU N N 191 125.500 122.713 2.787 1 1 1715 . 1 1 1 A 192 192 GLU H H 192 7.540 8.575 -1.035 1 1 1716 . 1 1 1 A 192 192 GLU HA H 192 4.510 4.591 -0.081 1 1 1719 . 1 1 1 A 192 192 GLU C C 192 176.100 176.827 -0.727 1 1 1720 . 1 1 1 A 192 192 GLU CA C 192 56.300 57.630 -1.330 1 1 1721 . 1 1 1 A 192 192 GLU CB C 192 29.800 31.799 -1.999 1 1 1722 . 1 1 1 A 192 192 GLU N N 192 123.400 123.395 0.005 1 1 1723 . 1 1 1 A 193 193 GLU H H 193 8.490 8.955 -0.465 1 1 1724 . 1 1 1 A 193 193 GLU HA H 193 4.150 4.500 -0.350 1 1 1727 . 1 1 1 A 193 193 GLU C C 193 176.700 176.004 0.696 1 1 1728 . 1 1 1 A 193 193 GLU CA C 193 59.200 57.071 2.129 1 1 1729 . 1 1 1 A 193 193 GLU CB C 193 29.000 31.831 -2.831 1 1 1730 . 1 1 1 A 193 193 GLU N N 193 122.400 118.709 3.691 1 1 1731 . 1 1 1 A 194 194 GLU H H 194 7.990 7.685 0.305 1 1 1732 . 1 1 1 A 194 194 GLU HA H 194 4.460 4.759 -0.299 1 1 1736 . 1 1 1 A 194 194 GLU C C 194 175.700 173.870 1.830 1 1 1737 . 1 1 1 A 194 194 GLU CA C 194 54.900 55.216 -0.316 1 1 1738 . 1 1 1 A 194 194 GLU CB C 194 31.400 33.431 -2.031 1 1 1739 . 1 1 1 A 194 194 GLU N N 194 116.200 117.973 -1.773 1 1 1740 . 1 1 1 A 195 195 MET H H 195 8.760 8.722 0.038 1 1 1741 . 1 1 1 A 195 195 MET HA H 195 5.050 5.016 0.034 1 1 1746 . 1 1 1 A 195 195 MET C C 195 175.900 174.982 0.918 1 1 1747 . 1 1 1 A 195 195 MET CA C 195 56.000 53.902 2.098 1 1 1748 . 1 1 1 A 195 195 MET CB C 195 33.200 33.272 -0.072 1 1 1749 . 1 1 1 A 195 195 MET N N 195 123.000 121.032 1.968 1 1 1750 . 1 1 1 A 196 196 THR H H 196 8.400 8.651 -0.251 1 1 1751 . 1 1 1 A 196 196 THR HA H 196 4.400 5.454 -1.054 1 1 1756 . 1 1 1 A 196 196 THR C C 196 172.000 174.611 -2.611 1 1 1757 . 1 1 1 A 196 196 THR CA C 196 62.900 59.922 2.978 1 1 1758 . 1 1 1 A 196 196 THR CB C 196 69.800 71.528 -1.728 1 1 1759 . 1 1 1 A 196 196 THR N N 196 122.000 117.494 4.506 1 1 1760 . 1 1 1 A 197 197 LYS H H 197 8.530 9.024 -0.494 1 1 1761 . 1 1 1 A 197 197 LYS HA H 197 5.420 5.272 0.148 1 1 1764 . 1 1 1 A 197 197 LYS C C 197 174.700 174.399 0.301 1 1 1765 . 1 1 1 A 197 197 LYS CA C 197 55.000 54.982 0.018 1 1 1766 . 1 1 1 A 197 197 LYS CB C 197 35.600 35.202 0.398 1 1 1767 . 1 1 1 A 197 197 LYS N N 197 123.900 122.288 1.612 1 1 1768 . 1 1 1 A 198 198 TYR H H 198 9.540 9.283 0.257 1 1 1769 . 1 1 1 A 198 198 TYR HA H 198 4.880 5.330 -0.450 1 1 1772 . 1 1 1 A 198 198 TYR C C 198 174.400 174.219 0.181 1 1 1773 . 1 1 1 A 198 198 TYR CA C 198 57.700 56.276 1.424 1 1 1774 . 1 1 1 A 198 198 TYR CB C 198 41.700 41.772 -0.072 1 1 1775 . 1 1 1 A 198 198 TYR N N 198 117.900 123.387 -5.487 1 1 1776 . 1 1 1 A 199 199 LYS H H 199 9.290 8.522 0.768 1 1 1777 . 1 1 1 A 199 199 LYS HA H 199 5.070 5.034 0.036 1 1 1781 . 1 1 1 A 199 199 LYS CA C 199 52.500 53.804 -1.304 1 1 1782 . 1 1 1 A 199 199 LYS CB C 199 35.400 33.858 1.542 1 1 1783 . 1 1 1 A 199 199 LYS N N 199 122.600 124.111 -1.511 1 1 1784 . 1 1 1 A 200 200 PRO HA H 200 4.120 5.167 -1.047 1 1 1785 . 1 1 1 A 200 200 PRO C C 200 176.700 176.068 0.632 1 1 1786 . 1 1 1 A 200 200 PRO CA C 200 62.000 62.819 -0.819 1 1 1787 . 1 1 1 A 200 200 PRO CB C 200 31.200 33.864 -2.664 1 1 1788 . 1 1 1 A 201 201 GLU H H 201 9.010 8.853 0.157 1 1 1789 . 1 1 1 A 201 201 GLU HA H 201 4.110 4.663 -0.553 1 1 1793 . 1 1 1 A 201 201 GLU C C 201 176.100 175.739 0.361 1 1 1794 . 1 1 1 A 201 201 GLU CA C 201 57.600 57.501 0.099 1 1 1795 . 1 1 1 A 201 201 GLU CB C 201 30.400 31.649 -1.249 1 1 1796 . 1 1 1 A 201 201 GLU N N 201 119.700 119.244 0.456 1 1 1797 . 1 1 1 A 202 202 SER H H 202 7.570 8.216 -0.646 1 1 1798 . 1 1 1 A 202 202 SER HA H 202 4.650 4.466 0.184 1 1 1801 . 1 1 1 A 202 202 SER C C 202 174.400 173.866 0.534 1 1 1802 . 1 1 1 A 202 202 SER CA C 202 56.400 58.587 -2.187 1 1 1803 . 1 1 1 A 202 202 SER CB C 202 65.100 64.091 1.009 1 1 1804 . 1 1 1 A 202 202 SER N N 202 111.900 115.019 -3.119 1 1 1805 . 1 1 1 A 203 203 GLU H H 203 8.790 8.531 0.259 1 1 1806 . 1 1 1 A 203 203 GLU HA H 203 4.370 4.977 -0.607 1 1 1809 . 1 1 1 A 203 203 GLU C C 203 176.100 175.191 0.909 1 1 1810 . 1 1 1 A 203 203 GLU CA C 203 56.200 54.769 1.431 1 1 1811 . 1 1 1 A 203 203 GLU CB C 203 29.500 31.723 -2.223 1 1 1812 . 1 1 1 A 203 203 GLU N N 203 122.800 125.460 -2.660 1 1 1813 . 1 1 1 A 204 204 GLU H H 204 8.030 8.703 -0.673 1 1 1814 . 1 1 1 A 204 204 GLU HA H 204 4.110 4.570 -0.460 1 1 1817 . 1 1 1 A 204 204 GLU C C 204 176.300 175.703 0.597 1 1 1818 . 1 1 1 A 204 204 GLU CA C 204 57.300 56.299 1.001 1 1 1819 . 1 1 1 A 204 204 GLU CB C 204 31.100 30.851 0.249 1 1 1820 . 1 1 1 A 204 204 GLU N N 204 120.700 126.607 -5.907 1 1 1821 . 1 1 1 A 205 205 LEU H H 205 8.690 8.154 0.536 1 1 1822 . 1 1 1 A 205 205 LEU HA H 205 4.580 5.012 -0.432 1 1 1831 . 1 1 1 A 205 205 LEU C C 205 176.300 177.105 -0.805 1 1 1832 . 1 1 1 A 205 205 LEU CA C 205 53.100 53.346 -0.246 1 1 1833 . 1 1 1 A 205 205 LEU CB C 205 41.100 45.596 -4.496 1 1 1834 . 1 1 1 A 205 205 LEU N N 205 125.500 121.894 3.606 1 1 1835 . 1 1 1 A 206 206 THR H H 206 6.800 8.837 -2.037 1 1 1836 . 1 1 1 A 206 206 THR HA H 206 4.370 3.798 0.572 1 1 1841 . 1 1 1 A 206 206 THR C C 206 175.200 175.832 -0.632 1 1 1842 . 1 1 1 A 206 206 THR CA C 206 59.400 65.904 -6.504 1 1 1843 . 1 1 1 A 206 206 THR CB C 206 70.400 69.141 1.259 1 1 1844 . 1 1 1 A 206 206 THR N N 206 108.200 120.933 -12.733 1 1 1845 . 1 1 1 A 207 207 ALA H H 207 9.320 8.179 1.141 1 1 1846 . 1 1 1 A 207 207 ALA HA H 207 4.010 3.713 0.297 1 1 1850 . 1 1 1 A 207 207 ALA C C 207 180.800 180.373 0.427 1 1 1851 . 1 1 1 A 207 207 ALA CA C 207 56.000 55.304 0.696 1 1 1852 . 1 1 1 A 207 207 ALA CB C 207 18.200 17.967 0.233 1 1 1853 . 1 1 1 A 207 207 ALA N N 207 125.300 121.986 3.314 1 1 1854 . 1 1 1 A 208 208 GLU H H 208 9.390 8.123 1.267 1 1 1855 . 1 1 1 A 208 208 GLU HA H 208 4.050 3.965 0.085 1 1 1859 . 1 1 1 A 208 208 GLU C C 208 179.100 179.210 -0.110 1 1 1860 . 1 1 1 A 208 208 GLU CA C 208 60.200 59.413 0.787 1 1 1861 . 1 1 1 A 208 208 GLU CB C 208 29.100 29.098 0.002 1 1 1862 . 1 1 1 A 208 208 GLU N N 208 118.500 118.009 0.491 1 1 1863 . 1 1 1 A 209 209 ARG H H 209 7.700 8.640 -0.940 1 1 1864 . 1 1 1 A 209 209 ARG HA H 209 4.230 3.811 0.419 1 1 1867 . 1 1 1 A 209 209 ARG C C 209 180.000 178.799 1.201 1 1 1868 . 1 1 1 A 209 209 ARG CA C 209 57.900 59.122 -1.222 1 1 1869 . 1 1 1 A 209 209 ARG CB C 209 30.100 30.292 -0.192 1 1 1870 . 1 1 1 A 209 209 ARG N N 209 119.700 119.800 -0.100 1 1 1871 . 1 1 1 A 210 210 ILE H H 210 8.540 7.412 1.128 1 1 1872 . 1 1 1 A 210 210 ILE HA H 210 3.950 3.870 0.080 1 1 1880 . 1 1 1 A 210 210 ILE C C 210 178.000 178.020 -0.020 1 1 1881 . 1 1 1 A 210 210 ILE CA C 210 65.400 64.144 1.256 1 1 1882 . 1 1 1 A 210 210 ILE CB C 210 38.300 37.513 0.787 1 1 1883 . 1 1 1 A 210 210 ILE N N 210 122.000 117.258 4.742 1 1 1884 . 1 1 1 A 211 211 THR H H 211 8.620 8.559 0.061 1 1 1885 . 1 1 1 A 211 211 THR HA H 211 4.040 3.721 0.319 1 1 1890 . 1 1 1 A 211 211 THR C C 211 175.300 176.257 -0.957 1 1 1891 . 1 1 1 A 211 211 THR CA C 211 67.800 66.843 0.957 1 1 1892 . 1 1 1 A 211 211 THR CB C 211 68.300 68.065 0.235 1 1 1893 . 1 1 1 A 211 211 THR N N 211 117.100 118.177 -1.077 1 1 1894 . 1 1 1 A 212 212 GLU H H 212 8.050 7.681 0.369 1 1 1895 . 1 1 1 A 212 212 GLU HA H 212 4.280 3.980 0.300 1 1 1898 . 1 1 1 A 212 212 GLU C C 212 177.200 179.333 -2.133 1 1 1899 . 1 1 1 A 212 212 GLU CA C 212 59.700 58.950 0.750 1 1 1900 . 1 1 1 A 212 212 GLU CB C 212 30.300 28.926 1.374 1 1 1901 . 1 1 1 A 212 212 GLU N N 212 121.600 121.074 0.526 1 1 1902 . 1 1 1 A 213 213 PHE H H 213 7.890 7.613 0.277 1 1 1903 . 1 1 1 A 213 213 PHE HA H 213 4.620 4.179 0.441 1 1 1906 . 1 1 1 A 213 213 PHE C C 213 176.300 178.170 -1.870 1 1 1907 . 1 1 1 A 213 213 PHE CA C 213 59.300 60.696 -1.396 1 1 1908 . 1 1 1 A 213 213 PHE CB C 213 38.700 38.069 0.631 1 1 1909 . 1 1 1 A 213 213 PHE N N 213 119.700 118.948 0.752 1 1 1910 . 1 1 1 A 214 214 CYS H H 214 7.700 7.999 -0.299 1 1 1911 . 1 1 1 A 214 214 CYS HA H 214 3.260 3.990 -0.730 1 1 1914 . 1 1 1 A 214 214 CYS C C 214 177.000 177.317 -0.317 1 1 1915 . 1 1 1 A 214 214 CYS CA C 214 64.500 63.133 1.367 1 1 1916 . 1 1 1 A 214 214 CYS CB C 214 27.400 26.098 1.302 1 1 1917 . 1 1 1 A 214 214 CYS N N 214 116.000 118.377 -2.377 1 1 1918 . 1 1 1 A 215 215 HIS H H 215 8.640 8.016 0.624 1 1 1919 . 1 1 1 A 215 215 HIS HA H 215 4.500 4.203 0.297 1 1 1922 . 1 1 1 A 215 215 HIS C C 215 178.100 176.775 1.325 1 1 1923 . 1 1 1 A 215 215 HIS CA C 215 60.300 59.862 0.438 1 1 1924 . 1 1 1 A 215 215 HIS CB C 215 30.300 29.351 0.949 1 1 1925 . 1 1 1 A 215 215 HIS N N 215 118.100 120.190 -2.090 1 1 1926 . 1 1 1 A 216 216 ARG H H 216 8.730 8.166 0.564 1 1 1927 . 1 1 1 A 216 216 ARG HA H 216 3.920 3.959 -0.039 1 1 1930 . 1 1 1 A 216 216 ARG C C 216 179.100 179.014 0.086 1 1 1931 . 1 1 1 A 216 216 ARG CA C 216 59.800 59.838 -0.038 1 1 1932 . 1 1 1 A 216 216 ARG CB C 216 30.100 29.791 0.309 1 1 1933 . 1 1 1 A 216 216 ARG N N 216 118.700 118.407 0.293 1 1 1934 . 1 1 1 A 217 217 PHE H H 217 8.390 8.157 0.233 1 1 1935 . 1 1 1 A 217 217 PHE HA H 217 3.970 4.200 -0.230 1 1 1938 . 1 1 1 A 217 217 PHE C C 217 179.200 177.436 1.764 1 1 1939 . 1 1 1 A 217 217 PHE CA C 217 60.700 61.348 -0.648 1 1 1940 . 1 1 1 A 217 217 PHE CB C 217 37.800 39.326 -1.526 1 1 1941 . 1 1 1 A 217 217 PHE N N 217 120.600 120.809 -0.209 1 1 1942 . 1 1 1 A 218 218 LEU H H 218 8.250 8.807 -0.557 1 1 1943 . 1 1 1 A 218 218 LEU HA H 218 3.500 4.178 -0.678 1 1 1953 . 1 1 1 A 218 218 LEU C C 218 178.800 177.777 1.023 1 1 1954 . 1 1 1 A 218 218 LEU CA C 218 57.400 57.134 0.266 1 1 1955 . 1 1 1 A 218 218 LEU CB C 218 41.300 41.408 -0.108 1 1 1956 . 1 1 1 A 218 218 LEU N N 218 123.500 118.906 4.594 1 1 1957 . 1 1 1 A 219 219 GLU H H 219 7.770 7.802 -0.032 1 1 1958 . 1 1 1 A 219 219 GLU HA H 219 4.200 4.428 -0.228 1 1 1963 . 1 1 1 A 219 219 GLU C C 219 176.800 176.834 -0.034 1 1 1964 . 1 1 1 A 219 219 GLU CA C 219 56.200 56.315 -0.115 1 1 1965 . 1 1 1 A 219 219 GLU CB C 219 30.600 29.982 0.618 1 1 1966 . 1 1 1 A 219 219 GLU N N 219 116.400 117.371 -0.971 1 1 1967 . 1 1 1 A 220 220 GLY H H 220 7.720 7.902 -0.182 1 1 1968 . 1 1 1 A 220 220 GLY HA2 H 220 3.890 4.006 -0.116 1 1 1969 . 1 1 1 A 220 220 GLY HA3 H 220 3.960 4.036 -0.076 1 1 1970 . 1 1 1 A 220 220 GLY C C 220 176.300 174.786 1.514 1 1 1971 . 1 1 1 A 220 220 GLY CA C 220 46.300 46.542 -0.242 1 1 1972 . 1 1 1 A 220 220 GLY N N 220 108.600 108.912 -0.312 1 1 1973 . 1 1 1 A 221 221 LYS H H 221 8.000 7.369 0.631 1 1 1974 . 1 1 1 A 221 221 LYS HA H 221 4.320 4.368 -0.048 1 1 1978 . 1 1 1 A 221 221 LYS C C 221 175.900 176.119 -0.219 1 1 1979 . 1 1 1 A 221 221 LYS CA C 221 56.100 56.264 -0.164 1 1 1980 . 1 1 1 A 221 221 LYS CB C 221 33.700 34.165 -0.465 1 1 1981 . 1 1 1 A 221 221 LYS N N 221 116.600 120.633 -4.033 1 1 1982 . 1 1 1 A 222 222 ILE H H 222 7.910 8.334 -0.424 1 1 1983 . 1 1 1 A 222 222 ILE HA H 222 4.570 4.225 0.345 1 1 1992 . 1 1 1 A 222 222 ILE C C 222 175.400 175.692 -0.292 1 1 1993 . 1 1 1 A 222 222 ILE CA C 222 59.200 59.940 -0.740 1 1 1994 . 1 1 1 A 222 222 ILE CB C 222 38.800 39.775 -0.975 1 1 1995 . 1 1 1 A 222 222 ILE N N 222 118.900 120.525 -1.625 1 1 1996 . 1 1 1 A 223 223 LYS H H 223 8.760 8.597 0.163 1 1 1997 . 1 1 1 A 223 223 LYS HA H 223 4.570 4.606 -0.036 1 1 2000 . 1 1 1 A 223 223 LYS CA C 223 54.300 53.896 0.404 1 1 2001 . 1 1 1 A 223 223 LYS CB C 223 32.000 32.122 -0.122 1 1 2002 . 1 1 1 A 223 223 LYS N N 223 127.700 122.768 4.932 1 1 2003 . 1 1 1 A 224 224 PRO C C 224 175.900 177.557 -1.657 1 1 2004 . 1 1 1 A 224 224 PRO CA C 224 63.000 66.019 -3.019 1 1 2005 . 1 1 1 A 224 224 PRO CB C 224 32.300 31.148 1.152 1 1 2006 . 1 1 1 A 225 225 HIS H H 225 8.770 8.106 0.664 1 1 2007 . 1 1 1 A 225 225 HIS C C 225 174.700 174.178 0.522 1 1 2008 . 1 1 1 A 225 225 HIS CA C 225 55.800 57.992 -2.192 1 1 2009 . 1 1 1 A 225 225 HIS CB C 225 31.100 29.358 1.742 1 1 2010 . 1 1 1 A 225 225 HIS N N 225 121.800 117.544 4.256 1 1 2011 . 1 1 1 A 226 226 LEU H H 226 8.160 8.323 -0.163 1 1 2012 . 1 1 1 A 226 226 LEU C C 226 176.400 174.869 1.531 1 1 2013 . 1 1 1 A 226 226 LEU CA C 226 54.500 52.857 1.643 1 1 2014 . 1 1 1 A 226 226 LEU CB C 226 42.300 44.844 -2.544 1 1 2015 . 1 1 1 A 226 226 LEU N N 226 127.000 118.845 8.155 1 1 2016 . 1 1 1 A 227 227 MET H H 227 7.980 8.456 -0.476 1 1 2017 . 1 1 1 A 227 227 MET C C 227 175.100 174.623 0.477 1 1 2018 . 1 1 1 A 227 227 MET CA C 227 55.400 54.028 1.372 1 1 2019 . 1 1 1 A 227 227 MET CB C 227 33.000 34.702 -1.702 1 1 2020 . 1 1 1 A 227 227 MET N N 227 120.800 120.895 -0.095 1 1 2025 . 1 2 1 A 2 2 PRO C C 2 176.900 174.974 1.926 1 1 2026 . 1 2 1 A 2 2 PRO CA C 2 63.300 62.523 0.777 1 1 2027 . 1 2 1 A 2 2 PRO CB C 2 32.200 30.108 2.092 1 1 2028 . 1 2 1 A 3 3 LEU H H 3 8.510 8.117 0.393 1 1 2029 . 1 2 1 A 3 3 LEU C C 3 177.700 175.676 2.024 1 1 2030 . 1 2 1 A 3 3 LEU CA C 3 55.300 53.945 1.355 1 1 2031 . 1 2 1 A 3 3 LEU CB C 3 42.100 44.727 -2.627 1 1 2032 . 1 2 1 A 3 3 LEU N N 3 121.400 124.610 -3.210 1 1 2033 . 1 2 1 A 4 4 GLY H H 4 8.190 8.502 -0.312 1 1 2034 . 1 2 1 A 4 4 GLY C C 4 172.900 173.321 -0.421 1 1 2035 . 1 2 1 A 4 4 GLY CA C 4 45.200 44.953 0.247 1 1 2036 . 1 2 1 A 4 4 GLY N N 4 109.400 112.600 -3.200 1 1 2037 . 1 2 1 A 5 5 SER H H 5 7.830 8.231 -0.401 1 1 2038 . 1 2 1 A 5 5 SER CA C 5 55.500 55.487 0.013 1 1 2039 . 1 2 1 A 5 5 SER CB C 5 64.100 66.484 -2.384 1 1 2040 . 1 2 1 A 5 5 SER N N 5 115.400 120.714 -5.314 1 1 2041 . 1 2 1 A 221 221 LYS C C 221 176.800 176.119 0.681 1 1 2042 . 1 2 1 A 221 221 LYS CA C 221 56.100 56.264 -0.164 1 1 2043 . 1 2 1 A 221 221 LYS CB C 221 32.500 34.165 -1.665 1 1 2044 . 1 2 1 A 222 222 ILE H H 222 7.630 8.334 -0.704 1 1 2045 . 1 2 1 A 222 222 ILE C C 222 175.800 175.692 0.108 1 1 2046 . 1 2 1 A 222 222 ILE CA C 222 61.300 59.940 1.360 1 1 2047 . 1 2 1 A 222 222 ILE CB C 222 38.500 39.775 -1.275 1 1 2048 . 1 2 1 A 222 222 ILE N N 222 118.900 120.525 -1.625 1 1 2049 . 1 2 1 A 223 223 LYS H H 223 8.080 8.597 -0.517 1 1 2050 . 1 2 1 A 223 223 LYS CA C 223 54.300 53.896 0.404 1 1 2051 . 1 2 1 A 223 223 LYS CB C 223 32.400 32.122 0.278 1 1 2052 . 1 2 1 A 223 223 LYS N N 223 125.500 122.768 2.732 1 1 2053 . 1 2 1 A 224 224 PRO C C 224 176.700 177.557 -0.857 1 1 2054 . 1 2 1 A 224 224 PRO CA C 224 63.400 66.019 -2.619 1 1 2055 . 1 2 1 A 224 224 PRO CB C 224 31.800 31.148 0.652 1 1 2056 . 1 2 1 A 225 225 HIS H H 225 8.330 8.106 0.224 1 1 2057 . 1 2 1 A 225 225 HIS C C 225 175.000 174.178 0.822 1 1 2058 . 1 2 1 A 225 225 HIS CA C 225 56.100 57.992 -1.892 1 1 2059 . 1 2 1 A 225 225 HIS CB C 225 30.300 29.358 0.942 1 1 2060 . 1 2 1 A 225 225 HIS N N 225 119.000 117.544 1.456 1 1 2061 . 1 2 1 A 226 226 LEU H H 226 8.030 8.323 -0.293 1 1 2062 . 1 2 1 A 226 226 LEU C C 226 176.800 174.869 1.931 1 1 2063 . 1 2 1 A 226 226 LEU CA C 226 55.000 52.857 2.143 1 1 2064 . 1 2 1 A 226 226 LEU CB C 226 42.300 44.844 -2.544 1 1 2065 . 1 2 1 A 226 226 LEU N N 226 123.200 118.845 4.355 1 1 2066 . 1 2 1 A 227 227 MET H H 227 8.280 8.456 -0.176 1 1 2067 . 1 2 1 A 227 227 MET CA C 227 55.300 54.028 1.272 1 1 2068 . 1 2 1 A 227 227 MET CB C 227 32.900 34.702 -1.802 1 1 1 . 2 1 1 A 2 2 PRO C C 2 176.900 176.324 0.576 1 1 2 . 2 1 1 A 2 2 PRO CA C 2 63.000 63.601 -0.601 1 1 3 . 2 1 1 A 2 2 PRO CB C 2 32.100 31.773 0.327 1 1 4 . 2 1 1 A 3 3 LEU H H 3 8.510 7.483 1.027 1 1 5 . 2 1 1 A 3 3 LEU HA H 3 4.320 4.277 0.043 1 1 10 . 2 1 1 A 3 3 LEU C C 3 177.900 177.951 -0.051 1 1 11 . 2 1 1 A 3 3 LEU CA C 3 55.500 55.469 0.031 1 1 12 . 2 1 1 A 3 3 LEU CB C 3 42.000 43.032 -1.032 1 1 13 . 2 1 1 A 3 3 LEU N N 3 122.400 120.557 1.843 1 1 14 . 2 1 1 A 4 4 GLY H H 4 8.450 8.814 -0.364 1 1 15 . 2 1 1 A 4 4 GLY HA2 H 4 3.900 3.969 -0.069 1 1 16 . 2 1 1 A 4 4 GLY HA3 H 4 4.020 3.969 0.051 1 1 17 . 2 1 1 A 4 4 GLY C C 4 173.800 173.881 -0.081 1 1 18 . 2 1 1 A 4 4 GLY CA C 4 45.100 45.099 0.001 1 1 19 . 2 1 1 A 4 4 GLY N N 4 110.200 111.072 -0.872 1 1 20 . 2 1 1 A 5 5 SER H H 5 8.040 7.810 0.230 1 1 21 . 2 1 1 A 5 5 SER HA H 5 4.010 4.698 -0.688 1 1 23 . 2 1 1 A 5 5 SER CA C 5 56.300 55.457 0.843 1 1 24 . 2 1 1 A 5 5 SER CB C 5 63.300 64.168 -0.868 1 1 25 . 2 1 1 A 5 5 SER N N 5 116.900 117.735 -0.835 1 1 26 . 2 1 1 A 6 6 PRO HA H 6 4.450 4.488 -0.038 1 1 29 . 2 1 1 A 6 6 PRO C C 6 176.700 177.696 -0.996 1 1 30 . 2 1 1 A 6 6 PRO CA C 6 63.000 63.073 -0.073 1 1 31 . 2 1 1 A 6 6 PRO CB C 6 32.000 32.632 -0.632 1 1 32 . 2 1 1 A 7 7 ALA H H 7 8.560 8.642 -0.082 1 1 33 . 2 1 1 A 7 7 ALA HA H 7 4.100 4.098 0.002 1 1 37 . 2 1 1 A 7 7 ALA C C 7 176.600 177.904 -1.304 1 1 38 . 2 1 1 A 7 7 ALA CA C 7 53.400 55.106 -1.706 1 1 39 . 2 1 1 A 7 7 ALA CB C 7 19.600 18.549 1.051 1 1 40 . 2 1 1 A 7 7 ALA N N 7 123.600 125.376 -1.776 1 1 41 . 2 1 1 A 8 8 ALA H H 8 7.410 7.750 -0.340 1 1 42 . 2 1 1 A 8 8 ALA HA H 8 4.680 5.691 -1.011 1 1 46 . 2 1 1 A 8 8 ALA C C 8 175.900 176.012 -0.112 1 1 47 . 2 1 1 A 8 8 ALA CA C 8 50.100 50.373 -0.273 1 1 48 . 2 1 1 A 8 8 ALA CB C 8 21.300 20.723 0.577 1 1 49 . 2 1 1 A 8 8 ALA N N 8 116.200 119.605 -3.405 1 1 50 . 2 1 1 A 9 9 THR H H 9 8.670 9.624 -0.954 1 1 51 . 2 1 1 A 9 9 THR HA H 9 4.330 5.162 -0.832 1 1 56 . 2 1 1 A 9 9 THR C C 9 174.400 173.107 1.293 1 1 57 . 2 1 1 A 9 9 THR CA C 9 62.600 59.995 2.605 1 1 58 . 2 1 1 A 9 9 THR CB C 9 70.100 71.139 -1.039 1 1 59 . 2 1 1 A 9 9 THR N N 9 119.900 118.818 1.082 1 1 60 . 2 1 1 A 10 10 THR H H 10 9.000 8.896 0.104 1 1 61 . 2 1 1 A 10 10 THR HA H 10 4.580 5.413 -0.833 1 1 66 . 2 1 1 A 10 10 THR C C 10 174.100 173.739 0.361 1 1 67 . 2 1 1 A 10 10 THR CA C 10 63.900 60.502 3.398 1 1 68 . 2 1 1 A 10 10 THR CB C 10 68.500 70.082 -1.582 1 1 69 . 2 1 1 A 10 10 THR N N 10 125.900 120.895 5.005 1 1 70 . 2 1 1 A 11 11 LEU H H 11 9.010 8.721 0.289 1 1 71 . 2 1 1 A 11 11 LEU HA H 11 4.970 4.656 0.314 1 1 77 . 2 1 1 A 11 11 LEU CA C 11 50.200 52.643 -2.443 1 1 78 . 2 1 1 A 11 11 LEU CB C 11 41.700 42.437 -0.737 1 1 79 . 2 1 1 A 11 11 LEU N N 11 127.200 124.350 2.850 1 1 80 . 2 1 1 A 12 12 PRO HA H 12 4.520 4.485 0.035 1 1 83 . 2 1 1 A 12 12 PRO C C 12 175.300 175.625 -0.325 1 1 84 . 2 1 1 A 12 12 PRO CA C 12 63.900 64.040 -0.140 1 1 85 . 2 1 1 A 12 12 PRO CB C 12 32.700 32.021 0.679 1 1 86 . 2 1 1 A 13 13 ASP H H 13 7.110 7.722 -0.612 1 1 87 . 2 1 1 A 13 13 ASP HA H 13 4.420 4.855 -0.435 1 1 90 . 2 1 1 A 13 13 ASP C C 13 175.400 176.168 -0.768 1 1 91 . 2 1 1 A 13 13 ASP CA C 13 52.300 53.137 -0.837 1 1 92 . 2 1 1 A 13 13 ASP CB C 13 42.000 44.492 -2.492 1 1 93 . 2 1 1 A 13 13 ASP N N 13 112.100 117.824 -5.724 1 1 94 . 2 1 1 A 14 14 GLY H H 14 9.120 9.032 0.088 1 1 95 . 2 1 1 A 14 14 GLY HA2 H 14 3.610 3.725 -0.115 1 1 96 . 2 1 1 A 14 14 GLY HA3 H 14 4.010 3.733 0.277 1 1 97 . 2 1 1 A 14 14 GLY C C 14 175.100 175.849 -0.749 1 1 98 . 2 1 1 A 14 14 GLY CA C 14 47.400 47.458 -0.058 1 1 99 . 2 1 1 A 14 14 GLY N N 14 106.600 111.289 -4.689 1 1 100 . 2 1 1 A 15 15 ALA H H 15 8.050 8.028 0.022 1 1 101 . 2 1 1 A 15 15 ALA HA H 15 4.170 4.009 0.161 1 1 105 . 2 1 1 A 15 15 ALA C C 15 180.500 179.751 0.749 1 1 106 . 2 1 1 A 15 15 ALA CA C 15 54.800 54.617 0.183 1 1 107 . 2 1 1 A 15 15 ALA CB C 15 17.600 18.012 -0.412 1 1 108 . 2 1 1 A 15 15 ALA N N 15 125.100 124.556 0.544 1 1 109 . 2 1 1 A 16 16 ALA H H 16 8.260 7.792 0.468 1 1 110 . 2 1 1 A 16 16 ALA HA H 16 4.170 4.075 0.095 1 1 114 . 2 1 1 A 16 16 ALA C C 16 180.500 179.390 1.110 1 1 115 . 2 1 1 A 16 16 ALA CA C 16 54.500 54.926 -0.426 1 1 116 . 2 1 1 A 16 16 ALA CB C 16 18.600 18.316 0.284 1 1 117 . 2 1 1 A 16 16 ALA N N 16 121.600 119.827 1.773 1 1 118 . 2 1 1 A 17 17 ALA H H 17 7.600 8.205 -0.605 1 1 119 . 2 1 1 A 17 17 ALA HA H 17 3.990 3.977 0.013 1 1 123 . 2 1 1 A 17 17 ALA C C 17 177.200 180.276 -3.076 1 1 124 . 2 1 1 A 17 17 ALA CA C 17 55.400 55.387 0.013 1 1 125 . 2 1 1 A 17 17 ALA CB C 17 18.700 18.212 0.488 1 1 126 . 2 1 1 A 17 17 ALA N N 17 120.600 120.365 0.235 1 1 127 . 2 1 1 A 18 18 GLU H H 18 8.450 7.729 0.721 1 1 128 . 2 1 1 A 18 18 GLU HA H 18 3.790 4.021 -0.231 1 1 132 . 2 1 1 A 18 18 GLU C C 18 178.800 179.257 -0.457 1 1 133 . 2 1 1 A 18 18 GLU CA C 18 59.200 59.073 0.127 1 1 134 . 2 1 1 A 18 18 GLU CB C 18 29.500 29.552 -0.052 1 1 135 . 2 1 1 A 18 18 GLU N N 18 117.100 117.789 -0.689 1 1 136 . 2 1 1 A 19 19 SER H H 19 7.920 7.586 0.334 1 1 137 . 2 1 1 A 19 19 SER HA H 19 4.150 4.122 0.028 1 1 139 . 2 1 1 A 19 19 SER C C 19 176.800 176.881 -0.081 1 1 140 . 2 1 1 A 19 19 SER CA C 19 61.300 62.160 -0.860 1 1 141 . 2 1 1 A 19 19 SER CB C 19 62.400 62.959 -0.559 1 1 142 . 2 1 1 A 19 19 SER N N 19 112.800 116.688 -3.888 1 1 143 . 2 1 1 A 20 20 LEU H H 20 7.460 7.598 -0.138 1 1 144 . 2 1 1 A 20 20 LEU HA H 20 4.020 3.922 0.098 1 1 153 . 2 1 1 A 20 20 LEU C C 20 179.200 179.041 0.159 1 1 154 . 2 1 1 A 20 20 LEU CA C 20 58.400 58.070 0.330 1 1 155 . 2 1 1 A 20 20 LEU CB C 20 41.600 41.267 0.333 1 1 156 . 2 1 1 A 20 20 LEU N N 20 123.000 118.987 4.013 1 1 157 . 2 1 1 A 21 21 VAL H H 21 7.980 8.028 -0.048 1 1 158 . 2 1 1 A 21 21 VAL HA H 21 3.090 3.493 -0.403 1 1 166 . 2 1 1 A 21 21 VAL C C 21 177.600 177.833 -0.233 1 1 167 . 2 1 1 A 21 21 VAL CA C 21 66.800 66.718 0.082 1 1 168 . 2 1 1 A 21 21 VAL CB C 21 31.600 31.689 -0.089 1 1 169 . 2 1 1 A 21 21 VAL N N 21 119.500 120.293 -0.793 1 1 170 . 2 1 1 A 22 22 GLU H H 22 8.180 9.087 -0.907 1 1 171 . 2 1 1 A 22 22 GLU HA H 22 4.040 4.010 0.030 1 1 174 . 2 1 1 A 22 22 GLU C C 22 178.700 178.424 0.276 1 1 175 . 2 1 1 A 22 22 GLU CA C 22 58.000 59.456 -1.456 1 1 176 . 2 1 1 A 22 22 GLU CB C 22 29.500 29.308 0.192 1 1 177 . 2 1 1 A 22 22 GLU N N 22 114.800 119.391 -4.591 1 1 178 . 2 1 1 A 23 23 SER H H 23 7.570 7.532 0.038 1 1 179 . 2 1 1 A 23 23 SER HA H 23 4.360 4.367 -0.007 1 1 182 . 2 1 1 A 23 23 SER C C 23 173.700 173.667 0.033 1 1 183 . 2 1 1 A 23 23 SER CA C 23 59.800 59.785 0.015 1 1 184 . 2 1 1 A 23 23 SER CB C 23 64.000 63.319 0.681 1 1 185 . 2 1 1 A 23 23 SER N N 23 112.500 115.351 -2.851 1 1 186 . 2 1 1 A 24 24 SER H H 24 7.080 8.715 -1.635 1 1 187 . 2 1 1 A 24 24 SER HA H 24 4.800 4.790 0.010 1 1 190 . 2 1 1 A 24 24 SER C C 24 172.800 174.318 -1.518 1 1 191 . 2 1 1 A 24 24 SER CA C 24 57.200 57.760 -0.560 1 1 192 . 2 1 1 A 24 24 SER CB C 24 65.400 66.339 -0.939 1 1 193 . 2 1 1 A 24 24 SER N N 24 115.400 113.967 1.433 1 1 194 . 2 1 1 A 25 25 GLU H H 25 8.700 8.836 -0.136 1 1 195 . 2 1 1 A 25 25 GLU HA H 25 3.970 4.031 -0.061 1 1 199 . 2 1 1 A 25 25 GLU C C 25 175.700 175.713 -0.013 1 1 200 . 2 1 1 A 25 25 GLU CA C 25 59.900 60.090 -0.190 1 1 201 . 2 1 1 A 25 25 GLU CB C 25 30.300 29.304 0.996 1 1 202 . 2 1 1 A 25 25 GLU N N 25 124.500 126.351 -1.851 1 1 203 . 2 1 1 A 26 26 VAL H H 26 7.320 8.001 -0.681 1 1 204 . 2 1 1 A 26 26 VAL HA H 26 5.000 4.808 0.192 1 1 212 . 2 1 1 A 26 26 VAL C C 26 174.300 174.495 -0.195 1 1 213 . 2 1 1 A 26 26 VAL CA C 26 60.500 60.426 0.074 1 1 214 . 2 1 1 A 26 26 VAL CB C 26 35.700 35.382 0.318 1 1 215 . 2 1 1 A 26 26 VAL N N 26 113.500 117.938 -4.438 1 1 216 . 2 1 1 A 27 27 ALA H H 27 9.130 8.561 0.569 1 1 217 . 2 1 1 A 27 27 ALA HA H 27 4.820 5.033 -0.213 1 1 221 . 2 1 1 A 27 27 ALA C C 27 175.000 176.337 -1.337 1 1 222 . 2 1 1 A 27 27 ALA CA C 27 51.200 51.090 0.110 1 1 223 . 2 1 1 A 27 27 ALA CB C 27 23.000 23.106 -0.106 1 1 224 . 2 1 1 A 27 27 ALA N N 27 127.200 127.455 -0.255 1 1 225 . 2 1 1 A 28 28 VAL H H 28 7.980 8.336 -0.356 1 1 226 . 2 1 1 A 28 28 VAL HA H 28 5.080 4.843 0.237 1 1 234 . 2 1 1 A 28 28 VAL C C 28 174.600 174.915 -0.315 1 1 235 . 2 1 1 A 28 28 VAL CA C 28 60.800 61.485 -0.685 1 1 236 . 2 1 1 A 28 28 VAL CB C 28 34.300 33.546 0.754 1 1 237 . 2 1 1 A 28 28 VAL N N 28 120.100 120.410 -0.310 1 1 238 . 2 1 1 A 29 29 ILE H H 29 9.080 9.274 -0.194 1 1 239 . 2 1 1 A 29 29 ILE HA H 29 4.780 5.809 -1.029 1 1 247 . 2 1 1 A 29 29 ILE C C 29 173.300 175.183 -1.883 1 1 248 . 2 1 1 A 29 29 ILE CA C 29 60.000 59.684 0.316 1 1 249 . 2 1 1 A 29 29 ILE CB C 29 40.300 40.897 -0.597 1 1 250 . 2 1 1 A 29 29 ILE N N 29 124.300 127.491 -3.191 1 1 251 . 2 1 1 A 30 30 GLY H H 30 8.610 9.487 -0.877 1 1 252 . 2 1 1 A 30 30 GLY HA2 H 30 1.910 4.156 -2.246 1 1 253 . 2 1 1 A 30 30 GLY HA3 H 30 3.960 4.365 -0.405 1 1 254 . 2 1 1 A 30 30 GLY C C 30 169.300 171.953 -2.653 1 1 255 . 2 1 1 A 30 30 GLY CA C 30 44.500 44.181 0.319 1 1 256 . 2 1 1 A 30 30 GLY N N 30 115.800 114.456 1.344 1 1 257 . 2 1 1 A 31 31 PHE H H 31 8.470 9.562 -1.092 1 1 258 . 2 1 1 A 31 31 PHE HA H 31 4.200 5.515 -1.315 1 1 261 . 2 1 1 A 31 31 PHE C C 31 172.800 175.148 -2.348 1 1 262 . 2 1 1 A 31 31 PHE CA C 31 55.000 56.855 -1.855 1 1 263 . 2 1 1 A 31 31 PHE CB C 31 36.500 39.719 -3.219 1 1 264 . 2 1 1 A 31 31 PHE N N 31 127.800 122.741 5.059 1 1 265 . 2 1 1 A 32 32 PHE H H 32 8.200 9.051 -0.851 1 1 266 . 2 1 1 A 32 32 PHE HA H 32 4.980 5.575 -0.595 1 1 269 . 2 1 1 A 32 32 PHE C C 32 174.400 175.420 -1.020 1 1 270 . 2 1 1 A 32 32 PHE CA C 32 55.700 56.384 -0.684 1 1 271 . 2 1 1 A 32 32 PHE CB C 32 42.900 42.854 0.046 1 1 272 . 2 1 1 A 32 32 PHE N N 32 116.900 121.754 -4.854 1 1 273 . 2 1 1 A 33 33 LYS H H 33 9.420 8.422 0.998 1 1 274 . 2 1 1 A 33 33 LYS HA H 33 4.020 4.441 -0.421 1 1 279 . 2 1 1 A 33 33 LYS C C 33 176.700 175.892 0.808 1 1 280 . 2 1 1 A 33 33 LYS CA C 33 58.900 57.633 1.267 1 1 281 . 2 1 1 A 33 33 LYS CB C 33 31.900 33.368 -1.468 1 1 282 . 2 1 1 A 33 33 LYS N N 33 124.700 124.787 -0.087 1 1 283 . 2 1 1 A 34 34 ASP H H 34 8.920 7.914 1.006 1 1 284 . 2 1 1 A 34 34 ASP HA H 34 5.020 4.971 0.049 1 1 287 . 2 1 1 A 34 34 ASP C C 34 177.800 176.064 1.736 1 1 288 . 2 1 1 A 34 34 ASP CA C 34 51.700 52.540 -0.840 1 1 289 . 2 1 1 A 34 34 ASP CB C 34 41.800 41.029 0.771 1 1 290 . 2 1 1 A 34 34 ASP N N 34 117.300 118.651 -1.351 1 1 291 . 2 1 1 A 35 35 VAL H H 35 8.560 8.473 0.087 1 1 292 . 2 1 1 A 35 35 VAL HA H 35 3.790 3.844 -0.054 1 1 300 . 2 1 1 A 35 35 VAL C C 35 174.500 177.411 -2.911 1 1 301 . 2 1 1 A 35 35 VAL CA C 35 63.900 65.886 -1.986 1 1 302 . 2 1 1 A 35 35 VAL CB C 35 30.500 31.869 -1.369 1 1 303 . 2 1 1 A 35 35 VAL N N 35 120.700 123.167 -2.467 1 1 304 . 2 1 1 A 36 36 GLU H H 36 8.250 8.028 0.222 1 1 305 . 2 1 1 A 36 36 GLU HA H 36 4.390 4.311 0.079 1 1 309 . 2 1 1 A 36 36 GLU C C 36 176.600 176.975 -0.375 1 1 310 . 2 1 1 A 36 36 GLU CA C 36 54.800 57.892 -3.092 1 1 311 . 2 1 1 A 36 36 GLU CB C 36 29.200 29.820 -0.620 1 1 312 . 2 1 1 A 36 36 GLU N N 36 117.200 119.330 -2.130 1 1 313 . 2 1 1 A 37 37 SER H H 37 7.560 7.910 -0.350 1 1 314 . 2 1 1 A 37 37 SER HA H 37 4.300 4.394 -0.094 1 1 317 . 2 1 1 A 37 37 SER C C 37 174.000 175.631 -1.631 1 1 318 . 2 1 1 A 37 37 SER CA C 37 58.100 59.164 -1.064 1 1 319 . 2 1 1 A 37 37 SER CB C 37 65.400 64.197 1.203 1 1 320 . 2 1 1 A 37 37 SER N N 37 116.100 116.124 -0.024 1 1 321 . 2 1 1 A 38 38 ASP H H 38 8.920 9.059 -0.139 1 1 322 . 2 1 1 A 38 38 ASP HA H 38 4.290 4.291 -0.001 1 1 324 . 2 1 1 A 38 38 ASP C C 38 179.200 178.452 0.748 1 1 325 . 2 1 1 A 38 38 ASP CA C 38 58.100 57.004 1.096 1 1 326 . 2 1 1 A 38 38 ASP CB C 38 40.100 39.837 0.263 1 1 327 . 2 1 1 A 38 38 ASP N N 38 121.400 124.630 -3.230 1 1 328 . 2 1 1 A 39 39 SER H H 39 8.500 8.197 0.303 1 1 329 . 2 1 1 A 39 39 SER HA H 39 4.050 4.134 -0.084 1 1 331 . 2 1 1 A 39 39 SER C C 39 174.500 176.313 -1.813 1 1 332 . 2 1 1 A 39 39 SER CA C 39 61.500 61.959 -0.459 1 1 333 . 2 1 1 A 39 39 SER CB C 39 62.400 63.163 -0.763 1 1 334 . 2 1 1 A 39 39 SER N N 39 114.200 115.409 -1.209 1 1 335 . 2 1 1 A 40 40 ALA H H 40 6.970 8.100 -1.130 1 1 336 . 2 1 1 A 40 40 ALA HA H 40 2.380 3.105 -0.725 1 1 340 . 2 1 1 A 40 40 ALA C C 40 179.600 179.958 -0.358 1 1 341 . 2 1 1 A 40 40 ALA CA C 40 54.500 54.865 -0.365 1 1 342 . 2 1 1 A 40 40 ALA CB C 40 18.600 18.035 0.565 1 1 343 . 2 1 1 A 40 40 ALA N N 40 125.700 123.220 2.480 1 1 344 . 2 1 1 A 41 41 LYS H H 41 8.040 7.574 0.466 1 1 345 . 2 1 1 A 41 41 LYS HA H 41 3.830 3.931 -0.101 1 1 350 . 2 1 1 A 41 41 LYS C C 41 180.500 179.427 1.073 1 1 351 . 2 1 1 A 41 41 LYS CA C 41 60.000 59.397 0.603 1 1 352 . 2 1 1 A 41 41 LYS CB C 41 31.900 32.215 -0.315 1 1 353 . 2 1 1 A 41 41 LYS N N 41 115.800 117.153 -1.353 1 1 354 . 2 1 1 A 42 42 GLN H H 42 7.870 7.834 0.036 1 1 355 . 2 1 1 A 42 42 GLN HA H 42 3.780 4.021 -0.241 1 1 359 . 2 1 1 A 42 42 GLN C C 42 177.800 178.475 -0.675 1 1 360 . 2 1 1 A 42 42 GLN CA C 42 58.600 59.003 -0.403 1 1 361 . 2 1 1 A 42 42 GLN CB C 42 28.600 28.329 0.271 1 1 362 . 2 1 1 A 42 42 GLN N N 42 119.100 119.520 -0.420 1 1 363 . 2 1 1 A 43 43 PHE H H 43 7.710 7.926 -0.216 1 1 364 . 2 1 1 A 43 43 PHE HA H 43 3.850 4.056 -0.206 1 1 367 . 2 1 1 A 43 43 PHE C C 43 176.200 177.383 -1.183 1 1 368 . 2 1 1 A 43 43 PHE CA C 43 61.300 60.977 0.323 1 1 369 . 2 1 1 A 43 43 PHE CB C 43 39.000 38.975 0.025 1 1 370 . 2 1 1 A 43 43 PHE N N 43 120.000 120.553 -0.553 1 1 371 . 2 1 1 A 44 44 LEU H H 44 8.360 7.927 0.433 1 1 372 . 2 1 1 A 44 44 LEU HA H 44 3.580 3.818 -0.238 1 1 378 . 2 1 1 A 44 44 LEU C C 44 179.400 178.311 1.089 1 1 379 . 2 1 1 A 44 44 LEU CA C 44 57.400 57.946 -0.546 1 1 380 . 2 1 1 A 44 44 LEU CB C 44 40.900 41.629 -0.729 1 1 381 . 2 1 1 A 44 44 LEU N N 44 119.500 120.290 -0.790 1 1 382 . 2 1 1 A 45 45 GLN H H 45 7.660 8.449 -0.789 1 1 383 . 2 1 1 A 45 45 GLN HA H 45 3.900 3.903 -0.003 1 1 388 . 2 1 1 A 45 45 GLN C C 45 179.300 177.518 1.782 1 1 389 . 2 1 1 A 45 45 GLN CA C 45 58.700 58.580 0.120 1 1 390 . 2 1 1 A 45 45 GLN CB C 45 28.700 28.681 0.019 1 1 391 . 2 1 1 A 45 45 GLN N N 45 117.700 118.273 -0.573 1 1 392 . 2 1 1 A 46 46 ALA H H 46 7.630 7.613 0.017 1 1 393 . 2 1 1 A 46 46 ALA HA H 46 3.740 3.954 -0.214 1 1 397 . 2 1 1 A 46 46 ALA C C 46 177.100 178.975 -1.875 1 1 398 . 2 1 1 A 46 46 ALA CA C 46 55.300 54.602 0.698 1 1 399 . 2 1 1 A 46 46 ALA CB C 46 17.500 18.291 -0.791 1 1 400 . 2 1 1 A 46 46 ALA N N 46 123.700 121.642 2.058 1 1 401 . 2 1 1 A 47 47 ALA H H 47 7.330 7.509 -0.179 1 1 402 . 2 1 1 A 47 47 ALA HA H 47 1.790 2.017 -0.227 1 1 406 . 2 1 1 A 47 47 ALA C C 47 178.600 179.474 -0.874 1 1 407 . 2 1 1 A 47 47 ALA CA C 47 53.200 54.299 -1.099 1 1 408 . 2 1 1 A 47 47 ALA CB C 47 17.700 17.851 -0.151 1 1 409 . 2 1 1 A 47 47 ALA N N 47 118.100 119.274 -1.174 1 1 410 . 2 1 1 A 48 48 GLU H H 48 7.020 7.503 -0.483 1 1 411 . 2 1 1 A 48 48 GLU HA H 48 3.840 3.945 -0.105 1 1 415 . 2 1 1 A 48 48 GLU C C 48 177.100 178.289 -1.189 1 1 416 . 2 1 1 A 48 48 GLU CA C 48 57.300 58.929 -1.629 1 1 417 . 2 1 1 A 48 48 GLU CB C 48 29.900 29.444 0.456 1 1 418 . 2 1 1 A 48 48 GLU N N 48 112.900 118.484 -5.584 1 1 419 . 2 1 1 A 49 49 ALA H H 49 7.250 7.703 -0.453 1 1 420 . 2 1 1 A 49 49 ALA HA H 49 4.250 4.079 0.171 1 1 424 . 2 1 1 A 49 49 ALA C C 49 176.900 177.446 -0.546 1 1 425 . 2 1 1 A 49 49 ALA CA C 49 52.600 54.275 -1.675 1 1 426 . 2 1 1 A 49 49 ALA CB C 49 20.100 18.627 1.473 1 1 427 . 2 1 1 A 49 49 ALA N N 49 119.800 120.527 -0.727 1 1 428 . 2 1 1 A 50 50 ILE H H 50 7.030 7.048 -0.018 1 1 429 . 2 1 1 A 50 50 ILE HA H 50 4.370 4.570 -0.200 1 1 439 . 2 1 1 A 50 50 ILE C C 50 174.300 175.880 -1.580 1 1 440 . 2 1 1 A 50 50 ILE CA C 50 59.700 59.179 0.521 1 1 441 . 2 1 1 A 50 50 ILE CB C 50 39.400 40.978 -1.578 1 1 442 . 2 1 1 A 50 50 ILE N N 50 119.300 114.395 4.905 1 1 443 . 2 1 1 A 51 51 ASP H H 51 8.390 8.890 -0.500 1 1 444 . 2 1 1 A 51 51 ASP HA H 51 4.830 5.044 -0.214 1 1 446 . 2 1 1 A 51 51 ASP C C 51 177.500 176.461 1.039 1 1 447 . 2 1 1 A 51 51 ASP CA C 51 54.300 53.952 0.348 1 1 448 . 2 1 1 A 51 51 ASP CB C 51 42.200 41.104 1.096 1 1 449 . 2 1 1 A 51 51 ASP N N 51 123.200 123.928 -0.728 1 1 450 . 2 1 1 A 52 52 ASP H H 52 8.530 8.382 0.148 1 1 451 . 2 1 1 A 52 52 ASP HA H 52 4.570 4.409 0.161 1 1 454 . 2 1 1 A 52 52 ASP C C 52 175.000 175.819 -0.819 1 1 455 . 2 1 1 A 52 52 ASP CA C 52 54.600 56.623 -2.023 1 1 456 . 2 1 1 A 52 52 ASP CB C 52 40.200 40.626 -0.426 1 1 457 . 2 1 1 A 52 52 ASP N N 52 116.000 119.089 -3.089 1 1 458 . 2 1 1 A 53 53 ILE H H 53 7.150 7.653 -0.503 1 1 459 . 2 1 1 A 53 53 ILE HA H 53 4.570 4.434 0.136 1 1 469 . 2 1 1 A 53 53 ILE CA C 53 57.700 57.302 0.398 1 1 470 . 2 1 1 A 53 53 ILE CB C 53 42.000 40.276 1.724 1 1 471 . 2 1 1 A 53 53 ILE N N 53 119.300 118.433 0.867 1 1 472 . 2 1 1 A 54 54 PRO C C 54 175.100 175.130 -0.030 1 1 473 . 2 1 1 A 54 54 PRO CA C 54 62.700 62.793 -0.093 1 1 474 . 2 1 1 A 54 54 PRO CB C 54 32.500 32.162 0.338 1 1 475 . 2 1 1 A 55 55 PHE H H 55 8.780 8.493 0.287 1 1 476 . 2 1 1 A 55 55 PHE HA H 55 5.840 5.753 0.087 1 1 479 . 2 1 1 A 55 55 PHE C C 55 176.900 175.181 1.719 1 1 480 . 2 1 1 A 55 55 PHE CA C 55 55.600 55.880 -0.280 1 1 481 . 2 1 1 A 55 55 PHE CB C 55 42.000 42.765 -0.765 1 1 482 . 2 1 1 A 55 55 PHE N N 55 119.900 121.604 -1.704 1 1 483 . 2 1 1 A 56 56 GLY H H 56 9.510 9.508 0.002 1 1 484 . 2 1 1 A 56 56 GLY HA2 H 56 3.350 4.246 -0.896 1 1 485 . 2 1 1 A 56 56 GLY HA3 H 56 5.620 4.310 1.310 1 1 486 . 2 1 1 A 56 56 GLY C C 56 170.800 173.009 -2.209 1 1 487 . 2 1 1 A 56 56 GLY CA C 56 43.400 43.795 -0.395 1 1 488 . 2 1 1 A 56 56 GLY N N 56 109.000 109.165 -0.165 1 1 489 . 2 1 1 A 57 57 ILE H H 57 8.930 8.480 0.450 1 1 490 . 2 1 1 A 57 57 ILE HA H 57 5.570 5.431 0.139 1 1 499 . 2 1 1 A 57 57 ILE C C 57 172.000 174.362 -2.362 1 1 500 . 2 1 1 A 57 57 ILE CA C 57 58.400 58.890 -0.490 1 1 501 . 2 1 1 A 57 57 ILE CB C 57 42.900 42.453 0.447 1 1 502 . 2 1 1 A 57 57 ILE N N 57 120.800 117.771 3.029 1 1 503 . 2 1 1 A 58 58 THR H H 58 8.660 8.507 0.153 1 1 504 . 2 1 1 A 58 58 THR HA H 58 4.960 5.189 -0.229 1 1 509 . 2 1 1 A 58 58 THR C C 58 170.000 174.016 -4.016 1 1 510 . 2 1 1 A 58 58 THR CA C 58 60.100 60.028 0.072 1 1 511 . 2 1 1 A 58 58 THR CB C 58 72.100 70.145 1.955 1 1 512 . 2 1 1 A 58 58 THR N N 58 121.200 114.186 7.014 1 1 513 . 2 1 1 A 59 59 SER H H 59 8.710 8.682 0.028 1 1 514 . 2 1 1 A 59 59 SER HA H 59 5.200 4.963 0.237 1 1 517 . 2 1 1 A 59 59 SER C C 59 173.900 174.749 -0.849 1 1 518 . 2 1 1 A 59 59 SER CA C 59 56.700 58.317 -1.617 1 1 519 . 2 1 1 A 59 59 SER CB C 59 65.700 65.388 0.312 1 1 520 . 2 1 1 A 59 59 SER N N 59 119.900 115.098 4.802 1 1 521 . 2 1 1 A 60 60 ASN H H 60 8.030 8.038 -0.008 1 1 522 . 2 1 1 A 60 60 ASN HA H 60 4.790 4.665 0.125 1 1 524 . 2 1 1 A 60 60 ASN CA C 60 53.200 53.891 -0.691 1 1 525 . 2 1 1 A 60 60 ASN CB C 60 39.500 40.388 -0.888 1 1 526 . 2 1 1 A 60 60 ASN N N 60 122.200 120.505 1.695 1 1 528 . 2 1 1 A 61 61 SER C C 61 175.900 176.488 -0.588 1 1 529 . 2 1 1 A 61 61 SER CA C 61 62.500 61.948 0.552 1 1 530 . 2 1 1 A 61 61 SER CB C 61 62.500 62.391 0.109 1 1 531 . 2 1 1 A 62 62 ASP H H 62 8.630 8.352 0.278 1 1 532 . 2 1 1 A 62 62 ASP HA H 62 4.530 4.486 0.044 1 1 535 . 2 1 1 A 62 62 ASP C C 62 179.000 178.810 0.190 1 1 536 . 2 1 1 A 62 62 ASP CA C 62 57.400 57.489 -0.089 1 1 537 . 2 1 1 A 62 62 ASP CB C 62 40.000 41.124 -1.124 1 1 538 . 2 1 1 A 62 62 ASP N N 62 122.200 123.006 -0.806 1 1 539 . 2 1 1 A 63 63 VAL H H 63 8.030 7.890 0.140 1 1 540 . 2 1 1 A 63 63 VAL HA H 63 3.750 3.660 0.090 1 1 548 . 2 1 1 A 63 63 VAL C C 63 177.900 178.356 -0.456 1 1 549 . 2 1 1 A 63 63 VAL CA C 63 65.800 66.606 -0.806 1 1 550 . 2 1 1 A 63 63 VAL CB C 63 30.700 31.819 -1.119 1 1 551 . 2 1 1 A 63 63 VAL N N 63 122.400 120.447 1.953 1 1 552 . 2 1 1 A 64 64 PHE H H 64 7.980 8.387 -0.407 1 1 553 . 2 1 1 A 64 64 PHE HA H 64 4.200 4.637 -0.437 1 1 556 . 2 1 1 A 64 64 PHE C C 64 178.800 178.487 0.313 1 1 557 . 2 1 1 A 64 64 PHE CA C 64 61.700 60.401 1.299 1 1 558 . 2 1 1 A 64 64 PHE CB C 64 37.500 38.782 -1.282 1 1 559 . 2 1 1 A 64 64 PHE N N 64 120.100 119.498 0.602 1 1 560 . 2 1 1 A 65 65 SER H H 65 8.090 8.234 -0.144 1 1 561 . 2 1 1 A 65 65 SER HA H 65 4.210 4.169 0.041 1 1 563 . 2 1 1 A 65 65 SER C C 65 177.800 177.564 0.236 1 1 564 . 2 1 1 A 65 65 SER CA C 65 61.600 61.691 -0.091 1 1 565 . 2 1 1 A 65 65 SER CB C 65 62.300 63.100 -0.800 1 1 566 . 2 1 1 A 65 65 SER N N 65 112.100 114.999 -2.899 1 1 567 . 2 1 1 A 66 66 LYS H H 66 7.650 7.815 -0.165 1 1 568 . 2 1 1 A 66 66 LYS HA H 66 3.870 4.094 -0.224 1 1 572 . 2 1 1 A 66 66 LYS C C 66 176.700 177.829 -1.129 1 1 573 . 2 1 1 A 66 66 LYS CA C 66 58.900 59.106 -0.206 1 1 574 . 2 1 1 A 66 66 LYS CB C 66 32.700 32.041 0.659 1 1 575 . 2 1 1 A 66 66 LYS N N 66 124.100 121.292 2.808 1 1 576 . 2 1 1 A 67 67 TYR H H 67 7.040 7.587 -0.547 1 1 577 . 2 1 1 A 67 67 TYR HA H 67 4.640 4.674 -0.034 1 1 580 . 2 1 1 A 67 67 TYR C C 67 173.600 174.991 -1.391 1 1 581 . 2 1 1 A 67 67 TYR CA C 67 58.400 57.716 0.684 1 1 582 . 2 1 1 A 67 67 TYR CB C 67 37.700 39.267 -1.567 1 1 583 . 2 1 1 A 67 67 TYR N N 67 113.800 114.826 -1.026 1 1 584 . 2 1 1 A 68 68 GLN H H 68 7.850 8.052 -0.202 1 1 585 . 2 1 1 A 68 68 GLN HA H 68 3.830 3.930 -0.100 1 1 588 . 2 1 1 A 68 68 GLN C C 68 174.700 174.190 0.510 1 1 589 . 2 1 1 A 68 68 GLN CA C 68 57.400 57.008 0.392 1 1 590 . 2 1 1 A 68 68 GLN CB C 68 25.000 26.575 -1.575 1 1 591 . 2 1 1 A 68 68 GLN N N 68 113.700 118.643 -4.943 1 1 592 . 2 1 1 A 69 69 LEU H H 69 8.070 8.217 -0.147 1 1 593 . 2 1 1 A 69 69 LEU HA H 69 4.530 5.048 -0.518 1 1 602 . 2 1 1 A 69 69 LEU C C 69 176.800 175.953 0.847 1 1 603 . 2 1 1 A 69 69 LEU CA C 69 54.900 53.624 1.276 1 1 604 . 2 1 1 A 69 69 LEU CB C 69 43.200 46.651 -3.451 1 1 605 . 2 1 1 A 69 69 LEU N N 69 120.800 118.158 2.642 1 1 606 . 2 1 1 A 70 70 ASP H H 70 8.580 8.742 -0.162 1 1 607 . 2 1 1 A 70 70 ASP HA H 70 4.650 5.103 -0.453 1 1 610 . 2 1 1 A 70 70 ASP C C 70 174.800 174.812 -0.012 1 1 611 . 2 1 1 A 70 70 ASP CA C 70 53.200 53.488 -0.288 1 1 612 . 2 1 1 A 70 70 ASP CB C 70 41.600 41.972 -0.372 1 1 613 . 2 1 1 A 70 70 ASP N N 70 120.400 120.645 -0.245 1 1 614 . 2 1 1 A 71 71 LYS H H 71 7.720 7.811 -0.091 1 1 615 . 2 1 1 A 71 71 LYS HA H 71 4.550 4.874 -0.324 1 1 619 . 2 1 1 A 71 71 LYS C C 71 173.100 174.845 -1.745 1 1 620 . 2 1 1 A 71 71 LYS CA C 71 54.300 54.649 -0.349 1 1 621 . 2 1 1 A 71 71 LYS CB C 71 34.100 35.709 -1.609 1 1 622 . 2 1 1 A 71 71 LYS N N 71 117.300 115.953 1.347 1 1 623 . 2 1 1 A 72 72 ASP H H 72 7.780 8.765 -0.985 1 1 624 . 2 1 1 A 72 72 ASP HA H 72 4.650 4.525 0.125 1 1 627 . 2 1 1 A 72 72 ASP C C 72 177.600 176.256 1.344 1 1 628 . 2 1 1 A 72 72 ASP CA C 72 54.500 55.370 -0.870 1 1 629 . 2 1 1 A 72 72 ASP CB C 72 41.500 41.166 0.334 1 1 630 . 2 1 1 A 72 72 ASP N N 72 116.900 122.419 -5.519 1 1 631 . 2 1 1 A 73 73 GLY H H 73 8.660 8.623 0.037 1 1 632 . 2 1 1 A 73 73 GLY HA2 H 73 3.890 4.114 -0.224 1 1 633 . 2 1 1 A 73 73 GLY C C 73 169.700 172.477 -2.777 1 1 634 . 2 1 1 A 73 73 GLY CA C 73 45.500 44.855 0.645 1 1 635 . 2 1 1 A 73 73 GLY N N 73 107.400 108.398 -0.998 1 1 636 . 2 1 1 A 74 74 VAL H H 74 8.490 8.419 0.071 1 1 637 . 2 1 1 A 74 74 VAL HA H 74 4.840 5.150 -0.310 1 1 642 . 2 1 1 A 74 74 VAL C C 74 173.500 175.206 -1.706 1 1 643 . 2 1 1 A 74 74 VAL CA C 74 61.300 60.769 0.531 1 1 644 . 2 1 1 A 74 74 VAL CB C 74 35.500 33.922 1.578 1 1 645 . 2 1 1 A 74 74 VAL N N 74 117.900 122.248 -4.348 1 1 646 . 2 1 1 A 75 75 VAL H H 75 8.930 9.580 -0.650 1 1 647 . 2 1 1 A 75 75 VAL HA H 75 4.580 5.256 -0.676 1 1 655 . 2 1 1 A 75 75 VAL C C 75 172.700 173.725 -1.025 1 1 656 . 2 1 1 A 75 75 VAL CA C 75 61.100 60.494 0.606 1 1 657 . 2 1 1 A 75 75 VAL CB C 75 35.600 36.050 -0.450 1 1 658 . 2 1 1 A 75 75 VAL N N 75 126.900 126.640 0.260 1 1 659 . 2 1 1 A 76 76 LEU H H 76 8.690 9.018 -0.328 1 1 660 . 2 1 1 A 76 76 LEU HA H 76 4.980 5.132 -0.152 1 1 666 . 2 1 1 A 76 76 LEU C C 76 173.400 174.645 -1.245 1 1 667 . 2 1 1 A 76 76 LEU CA C 76 54.200 53.627 0.573 1 1 668 . 2 1 1 A 76 76 LEU CB C 76 46.000 44.706 1.294 1 1 669 . 2 1 1 A 76 76 LEU N N 76 128.000 129.315 -1.315 1 1 670 . 2 1 1 A 77 77 PHE H H 77 9.600 9.622 -0.022 1 1 671 . 2 1 1 A 77 77 PHE HA H 77 4.930 5.353 -0.423 1 1 674 . 2 1 1 A 77 77 PHE C C 77 173.800 175.402 -1.602 1 1 675 . 2 1 1 A 77 77 PHE CA C 77 56.800 56.828 -0.028 1 1 676 . 2 1 1 A 77 77 PHE CB C 77 42.100 41.118 0.982 1 1 677 . 2 1 1 A 77 77 PHE N N 77 126.500 126.088 0.412 1 1 678 . 2 1 1 A 78 78 LYS H H 78 8.410 8.842 -0.432 1 1 679 . 2 1 1 A 78 78 LYS HA H 78 5.410 4.922 0.488 1 1 684 . 2 1 1 A 78 78 LYS C C 78 176.600 177.077 -0.477 1 1 685 . 2 1 1 A 78 78 LYS CA C 78 53.500 54.582 -1.082 1 1 686 . 2 1 1 A 78 78 LYS CB C 78 34.600 36.072 -1.472 1 1 687 . 2 1 1 A 78 78 LYS N N 78 115.800 119.630 -3.830 1 1 688 . 2 1 1 A 79 79 LYS H H 79 8.010 8.941 -0.931 1 1 689 . 2 1 1 A 79 79 LYS HA H 79 4.370 4.171 0.199 1 1 693 . 2 1 1 A 79 79 LYS C C 79 175.000 176.765 -1.765 1 1 694 . 2 1 1 A 79 79 LYS CA C 79 56.000 59.108 -3.108 1 1 695 . 2 1 1 A 79 79 LYS CB C 79 31.900 32.122 -0.222 1 1 696 . 2 1 1 A 79 79 LYS N N 79 121.400 119.613 1.787 1 1 697 . 2 1 1 A 80 80 PHE H H 80 6.620 8.152 -1.532 1 1 698 . 2 1 1 A 80 80 PHE HA H 80 4.880 4.942 -0.062 1 1 700 . 2 1 1 A 80 80 PHE C C 80 174.000 174.829 -0.829 1 1 701 . 2 1 1 A 80 80 PHE CA C 80 54.400 55.959 -1.559 1 1 702 . 2 1 1 A 80 80 PHE CB C 80 40.400 41.480 -1.080 1 1 703 . 2 1 1 A 80 80 PHE N N 80 113.500 115.396 -1.896 1 1 704 . 2 1 1 A 81 81 ASP H H 81 8.980 8.787 0.193 1 1 705 . 2 1 1 A 81 81 ASP HA H 81 4.270 4.219 0.051 1 1 708 . 2 1 1 A 81 81 ASP C C 81 176.600 176.293 0.307 1 1 709 . 2 1 1 A 81 81 ASP CA C 81 56.000 55.683 0.317 1 1 710 . 2 1 1 A 81 81 ASP CB C 81 40.200 39.635 0.565 1 1 711 . 2 1 1 A 81 81 ASP N N 81 117.700 118.352 -0.652 1 1 712 . 2 1 1 A 82 82 GLU H H 82 10.320 8.742 1.578 1 1 713 . 2 1 1 A 82 82 GLU HA H 82 4.340 4.260 0.080 1 1 716 . 2 1 1 A 82 82 GLU C C 82 178.700 176.759 1.941 1 1 717 . 2 1 1 A 82 82 GLU CA C 82 58.200 57.859 0.341 1 1 718 . 2 1 1 A 82 82 GLU CB C 82 28.600 30.513 -1.913 1 1 719 . 2 1 1 A 82 82 GLU N N 82 123.900 124.754 -0.854 1 1 720 . 2 1 1 A 83 83 GLY H H 83 7.780 8.683 -0.903 1 1 721 . 2 1 1 A 83 83 GLY HA2 H 83 4.150 3.876 0.274 1 1 722 . 2 1 1 A 83 83 GLY HA3 H 83 4.290 3.910 0.380 1 1 723 . 2 1 1 A 83 83 GLY C C 83 174.400 173.336 1.064 1 1 724 . 2 1 1 A 83 83 GLY CA C 83 46.600 45.729 0.871 1 1 725 . 2 1 1 A 83 83 GLY N N 83 109.200 108.742 0.458 1 1 726 . 2 1 1 A 84 84 ARG H H 84 7.200 7.898 -0.698 1 1 727 . 2 1 1 A 84 84 ARG HA H 84 5.210 5.446 -0.236 1 1 731 . 2 1 1 A 84 84 ARG C C 84 174.000 174.099 -0.099 1 1 732 . 2 1 1 A 84 84 ARG CA C 84 55.000 54.365 0.635 1 1 733 . 2 1 1 A 84 84 ARG CB C 84 32.500 33.109 -0.609 1 1 734 . 2 1 1 A 84 84 ARG N N 84 121.000 116.202 4.798 1 1 735 . 2 1 1 A 85 85 ASN H H 85 9.270 9.032 0.238 1 1 736 . 2 1 1 A 85 85 ASN HA H 85 5.000 5.300 -0.300 1 1 739 . 2 1 1 A 85 85 ASN C C 85 172.900 173.833 -0.933 1 1 740 . 2 1 1 A 85 85 ASN CA C 85 53.800 51.982 1.818 1 1 741 . 2 1 1 A 85 85 ASN CB C 85 43.600 40.258 3.342 1 1 742 . 2 1 1 A 85 85 ASN N N 85 121.600 121.772 -0.172 1 1 743 . 2 1 1 A 86 86 ASN H H 86 9.150 9.015 0.135 1 1 744 . 2 1 1 A 86 86 ASN HA H 86 5.000 5.244 -0.244 1 1 746 . 2 1 1 A 86 86 ASN C C 86 174.400 175.447 -1.047 1 1 747 . 2 1 1 A 86 86 ASN CA C 86 52.400 52.708 -0.308 1 1 748 . 2 1 1 A 86 86 ASN CB C 86 38.600 39.320 -0.720 1 1 749 . 2 1 1 A 86 86 ASN N N 86 123.200 126.328 -3.128 1 1 750 . 2 1 1 A 87 87 PHE H H 87 8.380 9.336 -0.956 1 1 751 . 2 1 1 A 87 87 PHE HA H 87 3.460 4.184 -0.724 1 1 754 . 2 1 1 A 87 87 PHE C C 87 174.600 176.598 -1.998 1 1 755 . 2 1 1 A 87 87 PHE CA C 87 59.000 58.720 0.280 1 1 756 . 2 1 1 A 87 87 PHE CB C 87 39.000 39.863 -0.863 1 1 757 . 2 1 1 A 87 87 PHE N N 87 124.900 127.049 -2.149 1 1 758 . 2 1 1 A 88 88 GLU H H 88 7.450 8.211 -0.761 1 1 759 . 2 1 1 A 88 88 GLU HA H 88 4.270 3.748 0.522 1 1 763 . 2 1 1 A 88 88 GLU C C 88 173.900 177.058 -3.158 1 1 764 . 2 1 1 A 88 88 GLU CA C 88 54.800 59.455 -4.655 1 1 765 . 2 1 1 A 88 88 GLU CB C 88 31.700 29.615 2.085 1 1 766 . 2 1 1 A 88 88 GLU N N 88 128.600 125.272 3.328 1 1 767 . 2 1 1 A 89 89 GLY H H 89 7.050 6.915 0.135 1 1 768 . 2 1 1 A 89 89 GLY HA2 H 89 3.700 3.864 -0.164 1 1 769 . 2 1 1 A 89 89 GLY HA3 H 89 3.840 3.891 -0.051 1 1 770 . 2 1 1 A 89 89 GLY C C 89 172.600 174.730 -2.130 1 1 771 . 2 1 1 A 89 89 GLY CA C 89 43.400 45.336 -1.936 1 1 772 . 2 1 1 A 89 89 GLY N N 89 108.600 106.582 2.018 1 1 773 . 2 1 1 A 90 90 GLU H H 90 8.450 7.771 0.679 1 1 774 . 2 1 1 A 90 90 GLU HA H 90 4.290 4.343 -0.053 1 1 778 . 2 1 1 A 90 90 GLU C C 90 177.400 176.299 1.101 1 1 779 . 2 1 1 A 90 90 GLU CA C 90 56.200 57.153 -0.953 1 1 780 . 2 1 1 A 90 90 GLU CB C 90 29.900 30.291 -0.391 1 1 781 . 2 1 1 A 90 90 GLU N N 90 120.400 121.025 -0.625 1 1 782 . 2 1 1 A 91 91 VAL H H 91 9.140 8.659 0.481 1 1 783 . 2 1 1 A 91 91 VAL HA H 91 3.730 4.922 -1.192 1 1 791 . 2 1 1 A 91 91 VAL C C 91 173.600 175.405 -1.805 1 1 792 . 2 1 1 A 91 91 VAL CA C 91 64.400 61.561 2.839 1 1 793 . 2 1 1 A 91 91 VAL CB C 91 29.800 33.007 -3.207 1 1 794 . 2 1 1 A 91 91 VAL N N 91 126.500 121.723 4.777 1 1 795 . 2 1 1 A 92 92 THR H H 92 7.210 9.041 -1.831 1 1 796 . 2 1 1 A 92 92 THR HA H 92 4.630 4.882 -0.252 1 1 801 . 2 1 1 A 92 92 THR C C 92 174.100 175.052 -0.952 1 1 802 . 2 1 1 A 92 92 THR CA C 92 58.000 61.391 -3.391 1 1 803 . 2 1 1 A 92 92 THR CB C 92 72.400 71.619 0.781 1 1 804 . 2 1 1 A 92 92 THR N N 92 117.900 121.294 -3.394 1 1 805 . 2 1 1 A 93 93 LYS H H 93 9.360 8.811 0.549 1 1 806 . 2 1 1 A 93 93 LYS HA H 93 3.680 3.976 -0.296 1 1 810 . 2 1 1 A 93 93 LYS C C 93 177.100 178.527 -1.427 1 1 811 . 2 1 1 A 93 93 LYS CA C 93 60.700 59.187 1.513 1 1 812 . 2 1 1 A 93 93 LYS CB C 93 32.100 32.013 0.087 1 1 813 . 2 1 1 A 93 93 LYS N N 93 124.100 124.943 -0.843 1 1 814 . 2 1 1 A 94 94 GLU H H 94 9.120 7.969 1.151 1 1 815 . 2 1 1 A 94 94 GLU HA H 94 3.900 4.052 -0.152 1 1 819 . 2 1 1 A 94 94 GLU C C 94 179.100 179.283 -0.183 1 1 820 . 2 1 1 A 94 94 GLU CA C 94 60.700 59.285 1.415 1 1 821 . 2 1 1 A 94 94 GLU CB C 94 28.700 29.553 -0.853 1 1 822 . 2 1 1 A 94 94 GLU N N 94 116.600 119.285 -2.685 1 1 823 . 2 1 1 A 95 95 ASN H H 95 8.020 8.322 -0.302 1 1 824 . 2 1 1 A 95 95 ASN HA H 95 4.650 4.613 0.037 1 1 827 . 2 1 1 A 95 95 ASN C C 95 179.700 178.196 1.504 1 1 828 . 2 1 1 A 95 95 ASN CA C 95 55.300 56.752 -1.452 1 1 829 . 2 1 1 A 95 95 ASN CB C 95 37.500 39.186 -1.686 1 1 830 . 2 1 1 A 95 95 ASN N N 95 118.100 119.283 -1.183 1 1 831 . 2 1 1 A 96 96 LEU H H 96 8.550 8.310 0.240 1 1 832 . 2 1 1 A 96 96 LEU HA H 96 3.960 3.769 0.191 1 1 842 . 2 1 1 A 96 96 LEU C C 96 178.400 178.807 -0.407 1 1 843 . 2 1 1 A 96 96 LEU CA C 96 57.500 57.932 -0.432 1 1 844 . 2 1 1 A 96 96 LEU CB C 96 42.200 41.087 1.113 1 1 845 . 2 1 1 A 96 96 LEU N N 96 121.600 117.573 4.027 1 1 846 . 2 1 1 A 97 97 LEU H H 97 8.500 7.821 0.679 1 1 847 . 2 1 1 A 97 97 LEU HA H 97 4.010 3.903 0.107 1 1 853 . 2 1 1 A 97 97 LEU C C 97 179.200 178.780 0.420 1 1 854 . 2 1 1 A 97 97 LEU CA C 97 58.900 57.951 0.949 1 1 855 . 2 1 1 A 97 97 LEU CB C 97 40.900 41.492 -0.592 1 1 856 . 2 1 1 A 97 97 LEU N N 97 120.100 120.699 -0.599 1 1 857 . 2 1 1 A 98 98 ASP H H 98 7.660 8.084 -0.424 1 1 858 . 2 1 1 A 98 98 ASP HA H 98 4.410 4.102 0.308 1 1 861 . 2 1 1 A 98 98 ASP C C 98 177.800 178.766 -0.966 1 1 862 . 2 1 1 A 98 98 ASP CA C 98 57.700 57.354 0.346 1 1 863 . 2 1 1 A 98 98 ASP CB C 98 41.100 40.815 0.285 1 1 864 . 2 1 1 A 98 98 ASP N N 98 118.700 119.573 -0.873 1 1 865 . 2 1 1 A 99 99 PHE H H 99 7.900 8.243 -0.343 1 1 866 . 2 1 1 A 99 99 PHE HA H 99 4.530 4.299 0.231 1 1 869 . 2 1 1 A 99 99 PHE C C 99 177.600 177.544 0.056 1 1 870 . 2 1 1 A 99 99 PHE CA C 99 60.400 61.516 -1.116 1 1 871 . 2 1 1 A 99 99 PHE CB C 99 39.800 39.443 0.357 1 1 872 . 2 1 1 A 99 99 PHE N N 99 120.800 121.809 -1.009 1 1 873 . 2 1 1 A 100 100 ILE H H 100 8.780 8.153 0.627 1 1 874 . 2 1 1 A 100 100 ILE HA H 100 3.120 3.868 -0.748 1 1 883 . 2 1 1 A 100 100 ILE C C 100 177.400 178.050 -0.650 1 1 884 . 2 1 1 A 100 100 ILE CA C 100 65.500 64.800 0.700 1 1 885 . 2 1 1 A 100 100 ILE CB C 100 38.500 37.794 0.706 1 1 886 . 2 1 1 A 100 100 ILE N N 100 121.400 118.612 2.788 1 1 887 . 2 1 1 A 101 101 LYS H H 101 8.210 7.939 0.271 1 1 888 . 2 1 1 A 101 101 LYS HA H 101 4.200 3.971 0.229 1 1 893 . 2 1 1 A 101 101 LYS C C 101 179.400 179.100 0.300 1 1 894 . 2 1 1 A 101 101 LYS CA C 101 59.300 58.829 0.471 1 1 895 . 2 1 1 A 101 101 LYS CB C 101 31.800 31.922 -0.122 1 1 896 . 2 1 1 A 101 101 LYS N N 101 117.900 121.841 -3.941 1 1 897 . 2 1 1 A 102 102 HIS H H 102 7.870 8.385 -0.515 1 1 898 . 2 1 1 A 102 102 HIS HA H 102 4.420 4.338 0.082 1 1 900 . 2 1 1 A 102 102 HIS C C 102 175.900 176.680 -0.780 1 1 901 . 2 1 1 A 102 102 HIS CA C 102 58.400 59.655 -1.255 1 1 902 . 2 1 1 A 102 102 HIS CB C 102 30.100 29.862 0.238 1 1 903 . 2 1 1 A 102 102 HIS N N 102 113.900 117.465 -3.565 1 1 904 . 2 1 1 A 103 103 ASN H H 103 7.270 8.138 -0.868 1 1 905 . 2 1 1 A 103 103 ASN HA H 103 4.840 4.404 0.436 1 1 908 . 2 1 1 A 103 103 ASN C C 103 174.500 177.072 -2.572 1 1 909 . 2 1 1 A 103 103 ASN CA C 103 54.400 54.458 -0.058 1 1 910 . 2 1 1 A 103 103 ASN CB C 103 41.100 38.861 2.239 1 1 911 . 2 1 1 A 103 103 ASN N N 103 113.900 116.889 -2.989 1 1 912 . 2 1 1 A 104 104 GLN H H 104 7.650 7.891 -0.241 1 1 913 . 2 1 1 A 104 104 GLN HA H 104 4.250 4.169 0.081 1 1 917 . 2 1 1 A 104 104 GLN C C 104 173.800 176.279 -2.479 1 1 918 . 2 1 1 A 104 104 GLN CA C 104 57.400 57.278 0.122 1 1 919 . 2 1 1 A 104 104 GLN CB C 104 28.900 28.695 0.205 1 1 920 . 2 1 1 A 104 104 GLN N N 104 115.000 118.500 -3.500 1 1 921 . 2 1 1 A 105 105 LEU H H 105 7.500 7.431 0.069 1 1 922 . 2 1 1 A 105 105 LEU HA H 105 4.720 4.436 0.284 1 1 927 . 2 1 1 A 105 105 LEU CA C 105 51.800 52.295 -0.495 1 1 928 . 2 1 1 A 105 105 LEU CB C 105 42.100 41.764 0.336 1 1 929 . 2 1 1 A 105 105 LEU N N 105 119.700 122.994 -3.294 1 1 930 . 2 1 1 A 106 106 PRO HA H 106 4.380 4.520 -0.140 1 1 931 . 2 1 1 A 106 106 PRO C C 106 175.600 177.538 -1.938 1 1 932 . 2 1 1 A 106 106 PRO CA C 106 61.700 62.241 -0.541 1 1 933 . 2 1 1 A 106 106 PRO CB C 106 31.800 32.974 -1.174 1 1 934 . 2 1 1 A 107 107 LEU H H 107 9.440 8.747 0.693 1 1 935 . 2 1 1 A 107 107 LEU HA H 107 3.980 4.059 -0.079 1 1 941 . 2 1 1 A 107 107 LEU C C 107 177.100 176.860 0.240 1 1 942 . 2 1 1 A 107 107 LEU CA C 107 57.800 57.889 -0.089 1 1 943 . 2 1 1 A 107 107 LEU CB C 107 42.700 42.384 0.316 1 1 944 . 2 1 1 A 107 107 LEU N N 107 123.400 119.402 3.998 1 1 945 . 2 1 1 A 108 108 VAL H H 108 7.730 7.785 -0.055 1 1 946 . 2 1 1 A 108 108 VAL HA H 108 5.010 5.510 -0.500 1 1 951 . 2 1 1 A 108 108 VAL C C 108 174.800 174.555 0.245 1 1 952 . 2 1 1 A 108 108 VAL CA C 108 59.400 59.660 -0.260 1 1 953 . 2 1 1 A 108 108 VAL CB C 108 34.400 34.966 -0.566 1 1 954 . 2 1 1 A 108 108 VAL N N 108 109.700 113.392 -3.692 1 1 955 . 2 1 1 A 109 109 ILE H H 109 8.700 8.915 -0.215 1 1 956 . 2 1 1 A 109 109 ILE HA H 109 4.210 4.849 -0.639 1 1 965 . 2 1 1 A 109 109 ILE C C 109 173.500 172.476 1.024 1 1 966 . 2 1 1 A 109 109 ILE CA C 109 59.900 59.267 0.633 1 1 967 . 2 1 1 A 109 109 ILE CB C 109 41.600 42.049 -0.449 1 1 968 . 2 1 1 A 109 109 ILE N N 109 124.500 123.744 0.756 1 1 969 . 2 1 1 A 110 110 GLU H H 110 8.410 8.083 0.327 1 1 970 . 2 1 1 A 110 110 GLU HA H 110 3.430 4.089 -0.659 1 1 973 . 2 1 1 A 110 110 GLU C C 110 176.000 176.216 -0.216 1 1 974 . 2 1 1 A 110 110 GLU CA C 110 54.700 55.629 -0.929 1 1 975 . 2 1 1 A 110 110 GLU CB C 110 29.800 30.063 -0.263 1 1 976 . 2 1 1 A 110 110 GLU N N 110 128.200 129.474 -1.274 1 1 977 . 2 1 1 A 111 111 PHE H H 111 8.680 8.883 -0.203 1 1 978 . 2 1 1 A 111 111 PHE HA H 111 3.850 4.566 -0.716 1 1 981 . 2 1 1 A 111 111 PHE C C 111 173.600 175.233 -1.633 1 1 982 . 2 1 1 A 111 111 PHE CA C 111 59.500 59.520 -0.020 1 1 983 . 2 1 1 A 111 111 PHE CB C 111 40.200 39.183 1.017 1 1 984 . 2 1 1 A 111 111 PHE N N 111 128.800 127.080 1.720 1 1 985 . 2 1 1 A 112 112 THR H H 112 7.310 8.125 -0.815 1 1 986 . 2 1 1 A 112 112 THR HA H 112 4.500 4.745 -0.245 1 1 991 . 2 1 1 A 112 112 THR C C 112 173.700 174.559 -0.859 1 1 992 . 2 1 1 A 112 112 THR CA C 112 59.200 60.413 -1.213 1 1 993 . 2 1 1 A 112 112 THR CB C 112 73.500 71.012 2.488 1 1 994 . 2 1 1 A 112 112 THR N N 112 119.800 116.421 3.379 1 1 995 . 2 1 1 A 113 113 GLU H H 113 8.930 8.928 0.002 1 1 996 . 2 1 1 A 113 113 GLU HA H 113 3.890 4.048 -0.158 1 1 1000 . 2 1 1 A 113 113 GLU C C 113 178.100 177.949 0.151 1 1 1001 . 2 1 1 A 113 113 GLU CA C 113 59.100 59.577 -0.477 1 1 1002 . 2 1 1 A 113 113 GLU CB C 113 29.200 29.335 -0.135 1 1 1003 . 2 1 1 A 113 113 GLU N N 113 120.100 121.526 -1.426 1 1 1004 . 2 1 1 A 114 114 GLN H H 114 7.940 7.716 0.224 1 1 1005 . 2 1 1 A 114 114 GLN HA H 114 4.130 4.079 0.051 1 1 1008 . 2 1 1 A 114 114 GLN C C 114 177.800 178.607 -0.807 1 1 1009 . 2 1 1 A 114 114 GLN CA C 114 58.200 58.372 -0.172 1 1 1010 . 2 1 1 A 114 114 GLN CB C 114 28.600 28.455 0.145 1 1 1011 . 2 1 1 A 114 114 GLN N N 114 114.800 118.823 -4.023 1 1 1012 . 2 1 1 A 115 115 THR H H 115 7.500 7.610 -0.110 1 1 1013 . 2 1 1 A 115 115 THR HA H 115 4.180 3.688 0.492 1 1 1018 . 2 1 1 A 115 115 THR C C 115 175.800 175.932 -0.132 1 1 1019 . 2 1 1 A 115 115 THR CA C 115 61.900 66.320 -4.420 1 1 1020 . 2 1 1 A 115 115 THR CB C 115 69.400 68.426 0.974 1 1 1021 . 2 1 1 A 115 115 THR N N 115 109.000 118.067 -9.067 1 1 1022 . 2 1 1 A 116 116 ALA H H 116 7.770 8.219 -0.449 1 1 1023 . 2 1 1 A 116 116 ALA HA H 116 3.840 3.602 0.238 1 1 1027 . 2 1 1 A 116 116 ALA CA C 116 56.800 56.673 0.127 1 1 1028 . 2 1 1 A 116 116 ALA CB C 116 16.100 16.833 -0.733 1 1 1029 . 2 1 1 A 116 116 ALA N N 116 125.500 122.671 2.829 1 1 1030 . 2 1 1 A 117 117 PRO HA H 117 4.370 3.816 0.554 1 1 1031 . 2 1 1 A 117 117 PRO C C 117 179.500 178.668 0.832 1 1 1032 . 2 1 1 A 117 117 PRO CA C 117 65.800 65.365 0.435 1 1 1033 . 2 1 1 A 117 117 PRO CB C 117 30.800 30.554 0.246 1 1 1034 . 2 1 1 A 118 118 LYS H H 118 7.260 7.814 -0.554 1 1 1035 . 2 1 1 A 118 118 LYS HA H 118 4.140 3.941 0.199 1 1 1039 . 2 1 1 A 118 118 LYS C C 118 178.300 179.363 -1.063 1 1 1040 . 2 1 1 A 118 118 LYS CA C 118 57.500 58.667 -1.167 1 1 1041 . 2 1 1 A 118 118 LYS CB C 118 32.200 31.595 0.605 1 1 1042 . 2 1 1 A 118 118 LYS N N 118 115.800 117.491 -1.691 1 1 1043 . 2 1 1 A 119 119 ILE H H 119 7.690 7.280 0.410 1 1 1044 . 2 1 1 A 119 119 ILE HA H 119 3.440 3.662 -0.222 1 1 1053 . 2 1 1 A 119 119 ILE C C 119 177.500 178.167 -0.667 1 1 1054 . 2 1 1 A 119 119 ILE CA C 119 64.400 64.029 0.371 1 1 1055 . 2 1 1 A 119 119 ILE CB C 119 38.700 37.350 1.350 1 1 1056 . 2 1 1 A 119 119 ILE N N 119 119.300 120.488 -1.188 1 1 1057 . 2 1 1 A 120 120 PHE H H 120 8.040 7.300 0.740 1 1 1058 . 2 1 1 A 120 120 PHE HA H 120 4.310 4.208 0.102 1 1 1061 . 2 1 1 A 120 120 PHE C C 120 176.800 178.057 -1.257 1 1 1062 . 2 1 1 A 120 120 PHE CA C 120 58.900 59.884 -0.984 1 1 1063 . 2 1 1 A 120 120 PHE CB C 120 38.400 37.965 0.435 1 1 1064 . 2 1 1 A 120 120 PHE N N 120 115.800 119.543 -3.743 1 1 1065 . 2 1 1 A 121 121 GLY H H 121 7.660 7.597 0.063 1 1 1066 . 2 1 1 A 121 121 GLY HA2 H 121 3.830 4.016 -0.186 1 1 1067 . 2 1 1 A 121 121 GLY HA3 H 121 4.350 4.055 0.295 1 1 1068 . 2 1 1 A 121 121 GLY C C 121 174.700 175.088 -0.388 1 1 1069 . 2 1 1 A 121 121 GLY CA C 121 45.300 44.640 0.660 1 1 1070 . 2 1 1 A 121 121 GLY N N 121 106.800 108.595 -1.795 1 1 1071 . 2 1 1 A 122 122 GLY H H 122 7.620 8.504 -0.884 1 1 1072 . 2 1 1 A 122 122 GLY HA2 H 122 4.000 3.997 0.003 1 1 1073 . 2 1 1 A 122 122 GLY HA3 H 122 4.320 4.067 0.253 1 1 1074 . 2 1 1 A 122 122 GLY C C 122 173.800 174.693 -0.893 1 1 1075 . 2 1 1 A 122 122 GLY CA C 122 44.800 45.624 -0.824 1 1 1076 . 2 1 1 A 122 122 GLY N N 122 108.400 108.691 -0.291 1 1 1077 . 2 1 1 A 123 123 GLU H H 123 8.490 9.160 -0.670 1 1 1078 . 2 1 1 A 123 123 GLU HA H 123 4.160 4.143 0.017 1 1 1082 . 2 1 1 A 123 123 GLU C C 123 177.700 175.693 2.007 1 1 1083 . 2 1 1 A 123 123 GLU CA C 123 57.900 57.319 0.581 1 1 1084 . 2 1 1 A 123 123 GLU CB C 123 30.400 28.432 1.968 1 1 1085 . 2 1 1 A 123 123 GLU N N 123 117.700 119.210 -1.510 1 1 1086 . 2 1 1 A 124 124 ILE H H 124 7.890 8.646 -0.756 1 1 1087 . 2 1 1 A 124 124 ILE HA H 124 4.090 3.955 0.135 1 1 1096 . 2 1 1 A 124 124 ILE C C 124 176.700 174.877 1.823 1 1 1097 . 2 1 1 A 124 124 ILE CA C 124 62.000 62.063 -0.063 1 1 1098 . 2 1 1 A 124 124 ILE CB C 124 37.500 35.582 1.918 1 1 1099 . 2 1 1 A 124 124 ILE N N 124 119.900 118.569 1.331 1 1 1100 . 2 1 1 A 125 125 LYS H H 125 8.600 7.901 0.699 1 1 1101 . 2 1 1 A 125 125 LYS HA H 125 4.590 4.793 -0.203 1 1 1104 . 2 1 1 A 125 125 LYS C C 125 174.400 174.212 0.188 1 1 1105 . 2 1 1 A 125 125 LYS CA C 125 55.600 55.291 0.309 1 1 1106 . 2 1 1 A 125 125 LYS CB C 125 33.000 36.101 -3.101 1 1 1107 . 2 1 1 A 125 125 LYS N N 125 125.500 127.293 -1.793 1 1 1108 . 2 1 1 A 126 126 THR H H 126 6.860 8.429 -1.569 1 1 1109 . 2 1 1 A 126 126 THR HA H 126 4.940 5.053 -0.113 1 1 1114 . 2 1 1 A 126 126 THR C C 126 172.000 173.877 -1.877 1 1 1115 . 2 1 1 A 126 126 THR CA C 126 62.100 61.750 0.350 1 1 1116 . 2 1 1 A 126 126 THR CB C 126 69.700 69.658 0.042 1 1 1117 . 2 1 1 A 126 126 THR N N 126 116.200 118.667 -2.467 1 1 1118 . 2 1 1 A 127 127 HIS H H 127 8.870 8.824 0.046 1 1 1119 . 2 1 1 A 127 127 HIS HA H 127 5.470 5.866 -0.396 1 1 1121 . 2 1 1 A 127 127 HIS C C 127 173.600 172.531 1.069 1 1 1122 . 2 1 1 A 127 127 HIS CA C 127 53.700 53.926 -0.226 1 1 1123 . 2 1 1 A 127 127 HIS CB C 127 35.300 33.430 1.870 1 1 1124 . 2 1 1 A 127 127 HIS N N 127 125.900 123.103 2.797 1 1 1125 . 2 1 1 A 128 128 ILE H H 128 9.200 8.986 0.214 1 1 1126 . 2 1 1 A 128 128 ILE HA H 128 4.890 4.885 0.005 1 1 1134 . 2 1 1 A 128 128 ILE C C 128 171.100 174.285 -3.185 1 1 1135 . 2 1 1 A 128 128 ILE CA C 128 58.900 59.441 -0.541 1 1 1136 . 2 1 1 A 128 128 ILE CB C 128 40.200 40.294 -0.094 1 1 1137 . 2 1 1 A 128 128 ILE N N 128 122.600 118.102 4.498 1 1 1138 . 2 1 1 A 129 129 LEU H H 129 9.070 9.334 -0.264 1 1 1139 . 2 1 1 A 129 129 LEU HA H 129 5.040 5.531 -0.491 1 1 1148 . 2 1 1 A 129 129 LEU C C 129 174.300 174.817 -0.517 1 1 1149 . 2 1 1 A 129 129 LEU CA C 129 53.400 53.517 -0.117 1 1 1150 . 2 1 1 A 129 129 LEU CB C 129 43.600 45.084 -1.484 1 1 1151 . 2 1 1 A 129 129 LEU N N 129 128.800 127.315 1.485 1 1 1152 . 2 1 1 A 130 130 LEU H H 130 8.680 9.128 -0.448 1 1 1153 . 2 1 1 A 130 130 LEU HA H 130 4.640 5.449 -0.809 1 1 1162 . 2 1 1 A 130 130 LEU C C 130 174.400 174.710 -0.310 1 1 1163 . 2 1 1 A 130 130 LEU CA C 130 52.700 52.712 -0.012 1 1 1164 . 2 1 1 A 130 130 LEU CB C 130 41.600 46.149 -4.549 1 1 1165 . 2 1 1 A 130 130 LEU N N 130 123.200 128.037 -4.837 1 1 1166 . 2 1 1 A 131 131 PHE H H 131 9.100 8.929 0.171 1 1 1167 . 2 1 1 A 131 131 PHE HA H 131 4.630 4.811 -0.181 1 1 1170 . 2 1 1 A 131 131 PHE C C 131 173.600 173.869 -0.269 1 1 1171 . 2 1 1 A 131 131 PHE CA C 131 56.800 56.367 0.433 1 1 1172 . 2 1 1 A 131 131 PHE CB C 131 39.200 40.039 -0.839 1 1 1173 . 2 1 1 A 131 131 PHE N N 131 127.500 127.851 -0.351 1 1 1174 . 2 1 1 A 132 132 LEU H H 132 9.000 8.857 0.143 1 1 1175 . 2 1 1 A 132 132 LEU HA H 132 5.020 4.660 0.360 1 1 1183 . 2 1 1 A 132 132 LEU CA C 132 50.700 50.694 0.006 1 1 1184 . 2 1 1 A 132 132 LEU CB C 132 44.400 44.317 0.083 1 1 1185 . 2 1 1 A 132 132 LEU N N 132 127.100 129.150 -2.050 1 1 1186 . 2 1 1 A 133 133 PRO HA H 133 4.770 5.005 -0.235 1 1 1187 . 2 1 1 A 133 133 PRO C C 133 179.100 179.166 -0.066 1 1 1188 . 2 1 1 A 133 133 PRO CA C 133 62.300 66.011 -3.711 1 1 1189 . 2 1 1 A 133 133 PRO CB C 133 31.600 31.173 0.427 1 1 1190 . 2 1 1 A 134 134 LYS H H 134 8.300 8.273 0.027 1 1 1191 . 2 1 1 A 134 134 LYS HA H 134 4.070 4.113 -0.043 1 1 1195 . 2 1 1 A 134 134 LYS C C 134 176.700 177.298 -0.598 1 1 1196 . 2 1 1 A 134 134 LYS CA C 134 58.900 57.829 1.071 1 1 1197 . 2 1 1 A 134 134 LYS CB C 134 32.000 32.296 -0.296 1 1 1198 . 2 1 1 A 134 134 LYS N N 134 123.900 118.131 5.769 1 1 1199 . 2 1 1 A 135 135 SER H H 135 7.610 7.703 -0.093 1 1 1200 . 2 1 1 A 135 135 SER HA H 135 4.250 4.503 -0.253 1 1 1202 . 2 1 1 A 135 135 SER C C 135 175.200 174.102 1.098 1 1 1203 . 2 1 1 A 135 135 SER CA C 135 58.200 58.811 -0.611 1 1 1204 . 2 1 1 A 135 135 SER CB C 135 63.300 65.795 -2.495 1 1 1205 . 2 1 1 A 135 135 SER N N 135 108.200 112.267 -4.067 1 1 1206 . 2 1 1 A 136 136 VAL H H 136 7.500 7.731 -0.231 1 1 1207 . 2 1 1 A 136 136 VAL HA H 136 4.210 3.579 0.631 1 1 1215 . 2 1 1 A 136 136 VAL C C 136 175.100 176.564 -1.464 1 1 1216 . 2 1 1 A 136 136 VAL CA C 136 61.900 63.249 -1.349 1 1 1217 . 2 1 1 A 136 136 VAL CB C 136 32.600 32.022 0.578 1 1 1218 . 2 1 1 A 136 136 VAL N N 136 122.800 121.582 1.218 1 1 1219 . 2 1 1 A 137 137 SER H H 137 8.450 8.870 -0.420 1 1 1220 . 2 1 1 A 137 137 SER HA H 137 4.300 4.651 -0.351 1 1 1222 . 2 1 1 A 137 137 SER C C 137 175.200 174.858 0.342 1 1 1223 . 2 1 1 A 137 137 SER CA C 137 59.700 60.337 -0.637 1 1 1224 . 2 1 1 A 137 137 SER CB C 137 63.000 62.931 0.069 1 1 1225 . 2 1 1 A 137 137 SER N N 137 120.800 124.386 -3.586 1 1 1226 . 2 1 1 A 138 138 ASP H H 138 8.980 8.468 0.512 1 1 1227 . 2 1 1 A 138 138 ASP HA H 138 4.630 4.555 0.075 1 1 1230 . 2 1 1 A 138 138 ASP C C 138 174.800 177.244 -2.444 1 1 1231 . 2 1 1 A 138 138 ASP CA C 138 54.000 55.309 -1.309 1 1 1232 . 2 1 1 A 138 138 ASP CB C 138 39.300 40.328 -1.028 1 1 1233 . 2 1 1 A 138 138 ASP N N 138 122.400 120.582 1.818 1 1 1234 . 2 1 1 A 139 139 TYR H H 139 7.620 8.530 -0.910 1 1 1235 . 2 1 1 A 139 139 TYR HA H 139 3.530 4.106 -0.576 1 1 1238 . 2 1 1 A 139 139 TYR C C 139 176.400 177.203 -0.803 1 1 1239 . 2 1 1 A 139 139 TYR CA C 139 62.800 60.860 1.940 1 1 1240 . 2 1 1 A 139 139 TYR CB C 139 39.100 37.054 2.046 1 1 1241 . 2 1 1 A 139 139 TYR N N 139 120.500 119.490 1.010 1 1 1242 . 2 1 1 A 140 140 ASP H H 140 8.690 7.141 1.549 1 1 1243 . 2 1 1 A 140 140 ASP HA H 140 4.210 3.931 0.279 1 1 1245 . 2 1 1 A 140 140 ASP C C 140 179.300 178.765 0.535 1 1 1246 . 2 1 1 A 140 140 ASP CA C 140 57.200 56.790 0.410 1 1 1247 . 2 1 1 A 140 140 ASP CB C 140 40.400 40.358 0.042 1 1 1248 . 2 1 1 A 140 140 ASP N N 140 115.200 121.694 -6.494 1 1 1249 . 2 1 1 A 141 141 GLY H H 141 7.800 8.178 -0.378 1 1 1250 . 2 1 1 A 141 141 GLY HA2 H 141 3.800 3.611 0.189 1 1 1251 . 2 1 1 A 141 141 GLY HA3 H 141 4.070 3.619 0.451 1 1 1252 . 2 1 1 A 141 141 GLY C C 141 176.800 175.753 1.047 1 1 1253 . 2 1 1 A 141 141 GLY CA C 141 47.000 47.166 -0.166 1 1 1254 . 2 1 1 A 141 141 GLY N N 141 110.300 107.937 2.363 1 1 1255 . 2 1 1 A 142 142 LYS H H 142 8.010 8.265 -0.255 1 1 1256 . 2 1 1 A 142 142 LYS HA H 142 4.030 4.027 0.003 1 1 1259 . 2 1 1 A 142 142 LYS C C 142 179.000 179.002 -0.002 1 1 1260 . 2 1 1 A 142 142 LYS CA C 142 59.700 59.116 0.584 1 1 1261 . 2 1 1 A 142 142 LYS CB C 142 33.000 32.130 0.870 1 1 1262 . 2 1 1 A 142 142 LYS N N 142 123.200 121.770 1.430 1 1 1263 . 2 1 1 A 143 143 LEU H H 143 8.090 8.297 -0.207 1 1 1264 . 2 1 1 A 143 143 LEU HA H 143 3.760 3.952 -0.192 1 1 1273 . 2 1 1 A 143 143 LEU C C 143 179.000 178.535 0.465 1 1 1274 . 2 1 1 A 143 143 LEU CA C 143 57.500 57.987 -0.487 1 1 1275 . 2 1 1 A 143 143 LEU CB C 143 40.600 41.364 -0.764 1 1 1276 . 2 1 1 A 143 143 LEU N N 143 120.000 122.028 -2.028 1 1 1277 . 2 1 1 A 144 144 SER H H 144 8.350 8.392 -0.042 1 1 1278 . 2 1 1 A 144 144 SER HA H 144 4.120 4.065 0.055 1 1 1280 . 2 1 1 A 144 144 SER C C 144 177.300 177.300 0.000 1 1 1281 . 2 1 1 A 144 144 SER CA C 144 61.900 61.618 0.282 1 1 1282 . 2 1 1 A 144 144 SER CB C 144 62.300 62.912 -0.612 1 1 1283 . 2 1 1 A 144 144 SER N N 144 114.600 114.675 -0.075 1 1 1284 . 2 1 1 A 145 145 ASN H H 145 7.980 8.517 -0.537 1 1 1285 . 2 1 1 A 145 145 ASN HA H 145 4.460 4.804 -0.344 1 1 1288 . 2 1 1 A 145 145 ASN C C 145 176.300 178.481 -2.181 1 1 1289 . 2 1 1 A 145 145 ASN CA C 145 56.600 56.443 0.157 1 1 1290 . 2 1 1 A 145 145 ASN CB C 145 38.600 38.658 -0.058 1 1 1291 . 2 1 1 A 145 145 ASN N N 145 121.600 119.468 2.132 1 1 1292 . 2 1 1 A 146 146 PHE H H 146 7.710 8.801 -1.091 1 1 1293 . 2 1 1 A 146 146 PHE HA H 146 4.370 4.339 0.031 1 1 1296 . 2 1 1 A 146 146 PHE C C 146 176.200 178.495 -2.295 1 1 1297 . 2 1 1 A 146 146 PHE CA C 146 61.500 61.398 0.102 1 1 1298 . 2 1 1 A 146 146 PHE CB C 146 40.500 39.060 1.440 1 1 1299 . 2 1 1 A 146 146 PHE N N 146 121.800 118.414 3.386 1 1 1300 . 2 1 1 A 147 147 LYS H H 147 8.510 8.618 -0.108 1 1 1301 . 2 1 1 A 147 147 LYS HA H 147 3.620 3.985 -0.365 1 1 1305 . 2 1 1 A 147 147 LYS C C 147 178.200 178.662 -0.462 1 1 1306 . 2 1 1 A 147 147 LYS CA C 147 59.600 59.629 -0.029 1 1 1307 . 2 1 1 A 147 147 LYS CB C 147 32.400 32.390 0.010 1 1 1308 . 2 1 1 A 147 147 LYS N N 147 117.700 118.034 -0.334 1 1 1309 . 2 1 1 A 148 148 THR H H 148 8.280 8.067 0.213 1 1 1310 . 2 1 1 A 148 148 THR HA H 148 3.870 4.077 -0.207 1 1 1315 . 2 1 1 A 148 148 THR C C 148 177.200 177.104 0.096 1 1 1316 . 2 1 1 A 148 148 THR CA C 148 66.600 65.558 1.042 1 1 1317 . 2 1 1 A 148 148 THR CB C 148 68.200 68.191 0.009 1 1 1318 . 2 1 1 A 148 148 THR N N 148 116.200 112.508 3.692 1 1 1319 . 2 1 1 A 149 149 ALA H H 149 7.570 8.393 -0.823 1 1 1320 . 2 1 1 A 149 149 ALA HA H 149 4.030 3.991 0.039 1 1 1324 . 2 1 1 A 149 149 ALA C C 149 177.700 179.398 -1.698 1 1 1325 . 2 1 1 A 149 149 ALA CA C 149 54.900 55.597 -0.697 1 1 1326 . 2 1 1 A 149 149 ALA CB C 149 18.700 18.058 0.642 1 1 1327 . 2 1 1 A 149 149 ALA N N 149 124.000 123.721 0.279 1 1 1328 . 2 1 1 A 150 150 ALA H H 150 7.360 8.648 -1.288 1 1 1329 . 2 1 1 A 150 150 ALA HA H 150 1.860 3.853 -1.993 1 1 1333 . 2 1 1 A 150 150 ALA C C 150 180.600 178.800 1.800 1 1 1334 . 2 1 1 A 150 150 ALA CA C 150 53.900 55.337 -1.437 1 1 1335 . 2 1 1 A 150 150 ALA CB C 150 19.500 18.146 1.354 1 1 1336 . 2 1 1 A 150 150 ALA N N 150 119.700 120.355 -0.655 1 1 1337 . 2 1 1 A 151 151 GLU H H 151 7.050 8.556 -1.506 1 1 1338 . 2 1 1 A 151 151 GLU HA H 151 3.680 4.040 -0.360 1 1 1342 . 2 1 1 A 151 151 GLU C C 151 178.500 179.174 -0.674 1 1 1343 . 2 1 1 A 151 151 GLU CA C 151 59.000 59.312 -0.312 1 1 1344 . 2 1 1 A 151 151 GLU CB C 151 30.000 29.154 0.846 1 1 1345 . 2 1 1 A 151 151 GLU N N 151 114.200 118.772 -4.572 1 1 1346 . 2 1 1 A 152 152 SER H H 152 7.510 8.088 -0.578 1 1 1347 . 2 1 1 A 152 152 SER HA H 152 4.160 4.240 -0.080 1 1 1350 . 2 1 1 A 152 152 SER C C 152 173.400 175.621 -2.221 1 1 1351 . 2 1 1 A 152 152 SER CA C 152 60.600 62.678 -2.078 1 1 1352 . 2 1 1 A 152 152 SER CB C 152 63.500 63.302 0.198 1 1 1353 . 2 1 1 A 152 152 SER N N 152 111.900 117.710 -5.810 1 1 1354 . 2 1 1 A 153 153 PHE H H 153 7.240 7.844 -0.604 1 1 1355 . 2 1 1 A 153 153 PHE HA H 153 4.750 4.823 -0.073 1 1 1358 . 2 1 1 A 153 153 PHE C C 153 174.600 175.053 -0.453 1 1 1359 . 2 1 1 A 153 153 PHE CA C 153 57.200 56.744 0.456 1 1 1360 . 2 1 1 A 153 153 PHE CB C 153 41.300 38.903 2.397 1 1 1361 . 2 1 1 A 153 153 PHE N N 153 115.800 116.386 -0.586 1 1 1362 . 2 1 1 A 154 154 LYS H H 154 7.320 7.328 -0.008 1 1 1363 . 2 1 1 A 154 154 LYS HA H 154 4.380 3.745 0.635 1 1 1368 . 2 1 1 A 154 154 LYS C C 154 178.200 177.656 0.544 1 1 1369 . 2 1 1 A 154 154 LYS CA C 154 58.500 58.633 -0.133 1 1 1370 . 2 1 1 A 154 154 LYS CB C 154 31.900 31.924 -0.024 1 1 1371 . 2 1 1 A 154 154 LYS N N 154 124.000 123.279 0.721 1 1 1372 . 2 1 1 A 155 155 GLY H H 155 9.720 8.836 0.884 1 1 1373 . 2 1 1 A 155 155 GLY HA2 H 155 3.620 3.893 -0.273 1 1 1374 . 2 1 1 A 155 155 GLY HA3 H 155 4.290 3.908 0.382 1 1 1375 . 2 1 1 A 155 155 GLY C C 155 173.200 173.879 -0.679 1 1 1376 . 2 1 1 A 155 155 GLY CA C 155 45.500 45.586 -0.086 1 1 1377 . 2 1 1 A 155 155 GLY N N 155 115.400 115.050 0.350 1 1 1378 . 2 1 1 A 156 156 LYS H H 156 8.400 7.689 0.711 1 1 1379 . 2 1 1 A 156 156 LYS HA H 156 4.630 4.597 0.033 1 1 1383 . 2 1 1 A 156 156 LYS C C 156 175.000 175.785 -0.785 1 1 1384 . 2 1 1 A 156 156 LYS CA C 156 57.100 57.348 -0.248 1 1 1385 . 2 1 1 A 156 156 LYS CB C 156 35.800 35.726 0.074 1 1 1386 . 2 1 1 A 156 156 LYS N N 156 118.700 119.268 -0.568 1 1 1387 . 2 1 1 A 157 157 ILE H H 157 7.890 7.079 0.811 1 1 1388 . 2 1 1 A 157 157 ILE HA H 157 4.330 4.954 -0.624 1 1 1396 . 2 1 1 A 157 157 ILE C C 157 175.000 173.536 1.464 1 1 1397 . 2 1 1 A 157 157 ILE CA C 157 60.400 59.851 0.549 1 1 1398 . 2 1 1 A 157 157 ILE CB C 157 43.600 41.676 1.924 1 1 1399 . 2 1 1 A 157 157 ILE N N 157 116.600 118.344 -1.744 1 1 1400 . 2 1 1 A 158 158 LEU H H 158 8.300 8.643 -0.343 1 1 1401 . 2 1 1 A 158 158 LEU HA H 158 4.840 4.882 -0.042 1 1 1410 . 2 1 1 A 158 158 LEU C C 158 175.000 175.547 -0.547 1 1 1411 . 2 1 1 A 158 158 LEU CA C 158 54.500 53.185 1.315 1 1 1412 . 2 1 1 A 158 158 LEU CB C 158 43.300 44.622 -1.322 1 1 1413 . 2 1 1 A 158 158 LEU N N 158 129.800 125.154 4.646 1 1 1414 . 2 1 1 A 159 159 PHE H H 159 9.310 8.501 0.809 1 1 1415 . 2 1 1 A 159 159 PHE HA H 159 4.890 5.124 -0.234 1 1 1418 . 2 1 1 A 159 159 PHE C C 159 178.500 176.161 2.339 1 1 1419 . 2 1 1 A 159 159 PHE CA C 159 56.600 57.307 -0.707 1 1 1420 . 2 1 1 A 159 159 PHE CB C 159 39.100 40.392 -1.292 1 1 1421 . 2 1 1 A 159 159 PHE N N 159 130.000 122.379 7.621 1 1 1422 . 2 1 1 A 160 160 ILE H H 160 9.130 9.970 -0.840 1 1 1423 . 2 1 1 A 160 160 ILE HA H 160 5.470 5.281 0.189 1 1 1431 . 2 1 1 A 160 160 ILE C C 160 174.500 175.738 -1.238 1 1 1432 . 2 1 1 A 160 160 ILE CA C 160 58.700 59.751 -1.051 1 1 1433 . 2 1 1 A 160 160 ILE CB C 160 42.000 40.668 1.332 1 1 1434 . 2 1 1 A 160 160 ILE N N 160 124.100 120.591 3.509 1 1 1435 . 2 1 1 A 161 161 PHE H H 161 8.920 8.442 0.478 1 1 1436 . 2 1 1 A 161 161 PHE HA H 161 5.780 6.088 -0.308 1 1 1439 . 2 1 1 A 161 161 PHE C C 161 172.800 172.879 -0.079 1 1 1440 . 2 1 1 A 161 161 PHE CA C 161 54.500 55.189 -0.689 1 1 1441 . 2 1 1 A 161 161 PHE CB C 161 42.700 42.613 0.087 1 1 1442 . 2 1 1 A 161 161 PHE N N 161 122.600 119.029 3.571 1 1 1443 . 2 1 1 A 162 162 ILE H H 162 8.780 9.284 -0.504 1 1 1444 . 2 1 1 A 162 162 ILE HA H 162 4.310 4.976 -0.666 1 1 1451 . 2 1 1 A 162 162 ILE C C 162 174.000 173.008 0.992 1 1 1452 . 2 1 1 A 162 162 ILE CA C 162 59.600 59.760 -0.160 1 1 1453 . 2 1 1 A 162 162 ILE CB C 162 42.300 42.037 0.263 1 1 1454 . 2 1 1 A 162 162 ILE N N 162 121.400 121.619 -0.219 1 1 1455 . 2 1 1 A 163 163 ASP H H 163 8.410 8.652 -0.242 1 1 1456 . 2 1 1 A 163 163 ASP HA H 163 5.370 4.793 0.577 1 1 1459 . 2 1 1 A 163 163 ASP C C 163 178.300 177.168 1.132 1 1 1460 . 2 1 1 A 163 163 ASP CA C 163 52.600 54.034 -1.434 1 1 1461 . 2 1 1 A 163 163 ASP CB C 163 40.500 42.330 -1.830 1 1 1462 . 2 1 1 A 163 163 ASP N N 163 123.800 128.743 -4.943 1 1 1463 . 2 1 1 A 164 164 SER H H 164 7.470 8.934 -1.464 1 1 1464 . 2 1 1 A 164 164 SER HA H 164 3.990 4.218 -0.228 1 1 1467 . 2 1 1 A 164 164 SER C C 164 173.900 174.269 -0.369 1 1 1468 . 2 1 1 A 164 164 SER CA C 164 60.500 62.641 -2.141 1 1 1469 . 2 1 1 A 164 164 SER CB C 164 64.500 63.024 1.476 1 1 1470 . 2 1 1 A 164 164 SER N N 164 124.000 121.226 2.774 1 1 1471 . 2 1 1 A 165 165 ASP H H 165 8.360 7.907 0.453 1 1 1472 . 2 1 1 A 165 165 ASP HA H 165 4.670 4.155 0.515 1 1 1475 . 2 1 1 A 165 165 ASP C C 165 177.400 176.840 0.560 1 1 1476 . 2 1 1 A 165 165 ASP CA C 165 55.600 55.001 0.599 1 1 1477 . 2 1 1 A 165 165 ASP CB C 165 41.300 38.937 2.363 1 1 1478 . 2 1 1 A 165 165 ASP N N 165 119.300 117.841 1.459 1 1 1479 . 2 1 1 A 166 166 HIS H H 166 7.260 7.683 -0.423 1 1 1480 . 2 1 1 A 166 166 HIS HA H 166 4.400 4.411 -0.011 1 1 1482 . 2 1 1 A 166 166 HIS CA C 166 58.300 58.291 0.009 1 1 1483 . 2 1 1 A 166 166 HIS CB C 166 31.900 28.425 3.475 1 1 1484 . 2 1 1 A 166 166 HIS N N 166 121.400 116.706 4.694 1 1 1485 . 2 1 1 A 167 167 THR HA H 167 4.050 4.370 -0.320 1 1 1490 . 2 1 1 A 167 167 THR C C 167 176.800 176.347 0.453 1 1 1491 . 2 1 1 A 167 167 THR CA C 167 66.000 64.889 1.111 1 1 1492 . 2 1 1 A 167 167 THR CB C 167 68.600 70.021 -1.421 1 1 1493 . 2 1 1 A 168 168 ASP H H 168 11.030 8.458 2.572 1 1 1494 . 2 1 1 A 168 168 ASP HA H 168 4.640 4.516 0.124 1 1 1497 . 2 1 1 A 168 168 ASP C C 168 177.500 177.391 0.109 1 1 1498 . 2 1 1 A 168 168 ASP CA C 168 56.800 57.138 -0.338 1 1 1499 . 2 1 1 A 168 168 ASP CB C 168 39.800 40.300 -0.500 1 1 1500 . 2 1 1 A 168 168 ASP N N 168 124.900 120.917 3.983 1 1 1501 . 2 1 1 A 169 169 ASN H H 169 7.970 8.436 -0.466 1 1 1502 . 2 1 1 A 169 169 ASN HA H 169 5.260 4.672 0.588 1 1 1505 . 2 1 1 A 169 169 ASN C C 169 176.100 176.687 -0.587 1 1 1506 . 2 1 1 A 169 169 ASN CA C 169 52.700 52.802 -0.102 1 1 1507 . 2 1 1 A 169 169 ASN CB C 169 38.600 38.243 0.357 1 1 1508 . 2 1 1 A 169 169 ASN N N 169 114.600 117.268 -2.668 1 1 1509 . 2 1 1 A 170 170 GLN H H 170 7.660 7.828 -0.168 1 1 1510 . 2 1 1 A 170 170 GLN HA H 170 4.020 3.989 0.031 1 1 1513 . 2 1 1 A 170 170 GLN C C 170 178.100 178.523 -0.423 1 1 1514 . 2 1 1 A 170 170 GLN CA C 170 59.500 59.084 0.416 1 1 1515 . 2 1 1 A 170 170 GLN CB C 170 28.000 28.632 -0.632 1 1 1516 . 2 1 1 A 170 170 GLN N N 170 121.400 119.886 1.514 1 1 1517 . 2 1 1 A 171 171 ARG H H 171 8.570 8.061 0.509 1 1 1518 . 2 1 1 A 171 171 ARG HA H 171 4.250 4.109 0.141 1 1 1521 . 2 1 1 A 171 171 ARG C C 171 178.700 178.668 0.032 1 1 1522 . 2 1 1 A 171 171 ARG CA C 171 58.700 58.735 -0.035 1 1 1523 . 2 1 1 A 171 171 ARG CB C 171 29.100 30.435 -1.335 1 1 1524 . 2 1 1 A 171 171 ARG N N 171 117.500 117.782 -0.282 1 1 1525 . 2 1 1 A 172 172 ILE H H 172 7.700 7.863 -0.163 1 1 1526 . 2 1 1 A 172 172 ILE HA H 172 4.010 3.632 0.378 1 1 1534 . 2 1 1 A 172 172 ILE C C 172 177.600 178.380 -0.780 1 1 1535 . 2 1 1 A 172 172 ILE CA C 172 63.300 65.598 -2.298 1 1 1536 . 2 1 1 A 172 172 ILE CB C 172 37.000 37.431 -0.431 1 1 1537 . 2 1 1 A 172 172 ILE N N 172 121.000 121.041 -0.041 1 1 1538 . 2 1 1 A 173 173 LEU H H 173 7.400 8.052 -0.652 1 1 1539 . 2 1 1 A 173 173 LEU HA H 173 3.740 3.939 -0.199 1 1 1548 . 2 1 1 A 173 173 LEU C C 173 179.500 179.539 -0.039 1 1 1549 . 2 1 1 A 173 173 LEU CA C 173 60.500 58.417 2.083 1 1 1550 . 2 1 1 A 173 173 LEU CB C 173 40.500 41.345 -0.845 1 1 1551 . 2 1 1 A 173 173 LEU N N 173 121.400 120.238 1.162 1 1 1552 . 2 1 1 A 174 174 GLU H H 174 8.030 8.215 -0.185 1 1 1553 . 2 1 1 A 174 174 GLU HA H 174 4.000 3.995 0.005 1 1 1557 . 2 1 1 A 174 174 GLU C C 174 180.200 179.076 1.124 1 1 1558 . 2 1 1 A 174 174 GLU CA C 174 59.200 59.862 -0.662 1 1 1559 . 2 1 1 A 174 174 GLU CB C 174 29.300 29.519 -0.219 1 1 1560 . 2 1 1 A 174 174 GLU N N 174 117.200 118.740 -1.540 1 1 1561 . 2 1 1 A 175 175 PHE H H 175 8.000 7.883 0.117 1 1 1562 . 2 1 1 A 175 175 PHE HA H 175 4.150 4.254 -0.104 1 1 1565 . 2 1 1 A 175 175 PHE C C 175 176.400 178.206 -1.806 1 1 1566 . 2 1 1 A 175 175 PHE CA C 175 60.800 61.446 -0.646 1 1 1567 . 2 1 1 A 175 175 PHE CB C 175 38.700 38.935 -0.235 1 1 1568 . 2 1 1 A 175 175 PHE N N 175 122.000 120.758 1.242 1 1 1569 . 2 1 1 A 176 176 PHE H H 176 7.510 7.875 -0.365 1 1 1570 . 2 1 1 A 176 176 PHE HA H 176 4.110 4.340 -0.230 1 1 1573 . 2 1 1 A 176 176 PHE C C 176 175.000 175.786 -0.786 1 1 1574 . 2 1 1 A 176 176 PHE CA C 176 59.300 60.326 -1.026 1 1 1575 . 2 1 1 A 176 176 PHE CB C 176 40.000 39.878 0.122 1 1 1576 . 2 1 1 A 176 176 PHE N N 176 113.100 119.373 -6.273 1 1 1577 . 2 1 1 A 177 177 GLY H H 177 8.030 8.110 -0.080 1 1 1578 . 2 1 1 A 177 177 GLY HA2 H 177 3.850 3.885 -0.035 1 1 1579 . 2 1 1 A 177 177 GLY C C 177 173.900 174.659 -0.759 1 1 1580 . 2 1 1 A 177 177 GLY CA C 177 46.500 46.903 -0.403 1 1 1581 . 2 1 1 A 177 177 GLY N N 177 110.900 108.508 2.392 1 1 1582 . 2 1 1 A 178 178 LEU H H 178 7.730 7.876 -0.146 1 1 1583 . 2 1 1 A 178 178 LEU HA H 178 4.440 4.718 -0.278 1 1 1592 . 2 1 1 A 178 178 LEU C C 178 175.800 175.016 0.784 1 1 1593 . 2 1 1 A 178 178 LEU CA C 178 53.500 53.849 -0.349 1 1 1594 . 2 1 1 A 178 178 LEU CB C 178 45.900 44.732 1.168 1 1 1595 . 2 1 1 A 178 178 LEU N N 178 120.700 121.676 -0.976 1 1 1596 . 2 1 1 A 179 179 LYS H H 179 8.170 8.480 -0.310 1 1 1597 . 2 1 1 A 179 179 LYS HA H 179 4.530 4.649 -0.119 1 1 1600 . 2 1 1 A 179 179 LYS C C 179 178.500 176.477 2.023 1 1 1601 . 2 1 1 A 179 179 LYS CA C 179 54.000 54.476 -0.476 1 1 1602 . 2 1 1 A 179 179 LYS CB C 179 34.100 34.869 -0.769 1 1 1603 . 2 1 1 A 179 179 LYS N N 179 119.500 123.224 -3.724 1 1 1604 . 2 1 1 A 180 180 LYS H H 180 9.110 8.601 0.509 1 1 1605 . 2 1 1 A 180 180 LYS HA H 180 3.820 3.963 -0.143 1 1 1609 . 2 1 1 A 180 180 LYS C C 180 179.600 178.436 1.164 1 1 1610 . 2 1 1 A 180 180 LYS CA C 180 60.900 60.288 0.612 1 1 1611 . 2 1 1 A 180 180 LYS CB C 180 32.100 32.301 -0.201 1 1 1612 . 2 1 1 A 180 180 LYS N N 180 124.200 121.234 2.966 1 1 1613 . 2 1 1 A 181 181 GLU H H 181 9.460 8.409 1.051 1 1 1614 . 2 1 1 A 181 181 GLU HA H 181 4.220 4.299 -0.079 1 1 1617 . 2 1 1 A 181 181 GLU C C 181 176.700 176.469 0.231 1 1 1618 . 2 1 1 A 181 181 GLU CA C 181 58.700 57.731 0.969 1 1 1619 . 2 1 1 A 181 181 GLU CB C 181 28.300 29.310 -1.010 1 1 1620 . 2 1 1 A 181 181 GLU N N 181 116.600 118.585 -1.985 1 1 1621 . 2 1 1 A 182 182 GLU H H 182 7.660 8.526 -0.866 1 1 1622 . 2 1 1 A 182 182 GLU HA H 182 4.320 4.213 0.107 1 1 1625 . 2 1 1 A 182 182 GLU C C 182 174.900 175.765 -0.865 1 1 1626 . 2 1 1 A 182 182 GLU CA C 182 55.700 56.256 -0.556 1 1 1627 . 2 1 1 A 182 182 GLU CB C 182 30.600 28.675 1.925 1 1 1628 . 2 1 1 A 182 182 GLU N N 182 118.300 119.239 -0.939 1 1 1629 . 2 1 1 A 183 183 CYS H H 183 7.090 8.367 -1.277 1 1 1630 . 2 1 1 A 183 183 CYS HA H 183 4.270 4.973 -0.703 1 1 1633 . 2 1 1 A 183 183 CYS CA C 183 58.200 57.094 1.106 1 1 1634 . 2 1 1 A 183 183 CYS CB C 183 27.400 29.404 -2.004 1 1 1635 . 2 1 1 A 183 183 CYS N N 183 117.700 121.745 -4.045 1 1 1636 . 2 1 1 A 184 184 PRO HA H 184 5.370 5.015 0.355 1 1 1637 . 2 1 1 A 184 184 PRO C C 184 174.300 175.836 -1.536 1 1 1638 . 2 1 1 A 184 184 PRO CA C 184 61.500 63.433 -1.933 1 1 1639 . 2 1 1 A 184 184 PRO CB C 184 36.000 32.731 3.269 1 1 1640 . 2 1 1 A 185 185 ALA H H 185 8.370 8.676 -0.306 1 1 1641 . 2 1 1 A 185 185 ALA HA H 185 4.790 4.876 -0.086 1 1 1645 . 2 1 1 A 185 185 ALA C C 185 174.800 175.280 -0.480 1 1 1646 . 2 1 1 A 185 185 ALA CA C 185 51.600 51.069 0.531 1 1 1647 . 2 1 1 A 185 185 ALA CB C 185 23.400 23.687 -0.287 1 1 1648 . 2 1 1 A 185 185 ALA N N 185 123.000 120.984 2.016 1 1 1649 . 2 1 1 A 186 186 VAL H H 186 8.660 8.763 -0.103 1 1 1650 . 2 1 1 A 186 186 VAL HA H 186 5.710 5.040 0.670 1 1 1655 . 2 1 1 A 186 186 VAL C C 186 176.500 173.528 2.972 1 1 1656 . 2 1 1 A 186 186 VAL CA C 186 59.300 59.486 -0.186 1 1 1657 . 2 1 1 A 186 186 VAL CB C 186 35.300 35.757 -0.457 1 1 1658 . 2 1 1 A 186 186 VAL N N 186 117.900 118.236 -0.336 1 1 1659 . 2 1 1 A 187 187 ARG H H 187 8.910 8.801 0.109 1 1 1660 . 2 1 1 A 187 187 ARG HA H 187 5.000 4.797 0.203 1 1 1663 . 2 1 1 A 187 187 ARG C C 187 172.600 173.900 -1.300 1 1 1664 . 2 1 1 A 187 187 ARG CA C 187 53.000 54.457 -1.457 1 1 1665 . 2 1 1 A 187 187 ARG CB C 187 35.900 34.567 1.333 1 1 1666 . 2 1 1 A 187 187 ARG N N 187 123.000 127.032 -4.032 1 1 1667 . 2 1 1 A 188 188 LEU H H 188 8.790 9.077 -0.287 1 1 1668 . 2 1 1 A 188 188 LEU HA H 188 5.420 5.326 0.094 1 1 1677 . 2 1 1 A 188 188 LEU C C 188 174.600 175.275 -0.675 1 1 1678 . 2 1 1 A 188 188 LEU CA C 188 54.300 53.616 0.684 1 1 1679 . 2 1 1 A 188 188 LEU CB C 188 47.300 45.135 2.165 1 1 1680 . 2 1 1 A 188 188 LEU N N 188 124.700 126.374 -1.674 1 1 1681 . 2 1 1 A 189 189 ILE H H 189 9.590 8.974 0.616 1 1 1682 . 2 1 1 A 189 189 ILE HA H 189 5.880 5.138 0.742 1 1 1690 . 2 1 1 A 189 189 ILE C C 189 173.500 173.765 -0.265 1 1 1691 . 2 1 1 A 189 189 ILE CA C 189 58.400 58.789 -0.389 1 1 1692 . 2 1 1 A 189 189 ILE CB C 189 43.000 41.762 1.238 1 1 1693 . 2 1 1 A 189 189 ILE N N 189 121.800 124.007 -2.207 1 1 1694 . 2 1 1 A 190 190 THR H H 190 8.750 8.617 0.133 1 1 1695 . 2 1 1 A 190 190 THR HA H 190 5.360 5.290 0.070 1 1 1700 . 2 1 1 A 190 190 THR C C 190 174.300 173.342 0.958 1 1 1701 . 2 1 1 A 190 190 THR CA C 190 58.800 61.082 -2.282 1 1 1702 . 2 1 1 A 190 190 THR CB C 190 70.400 72.330 -1.930 1 1 1703 . 2 1 1 A 190 190 THR N N 190 114.200 123.402 -9.202 1 1 1704 . 2 1 1 A 191 191 LEU H H 191 8.610 8.315 0.295 1 1 1705 . 2 1 1 A 191 191 LEU HA H 191 4.640 5.179 -0.539 1 1 1711 . 2 1 1 A 191 191 LEU C C 191 176.400 175.639 0.761 1 1 1712 . 2 1 1 A 191 191 LEU CA C 191 54.500 54.186 0.314 1 1 1713 . 2 1 1 A 191 191 LEU CB C 191 42.300 45.514 -3.214 1 1 1714 . 2 1 1 A 191 191 LEU N N 191 125.500 124.750 0.750 1 1 1715 . 2 1 1 A 192 192 GLU H H 192 7.540 8.743 -1.203 1 1 1716 . 2 1 1 A 192 192 GLU HA H 192 4.510 4.471 0.039 1 1 1719 . 2 1 1 A 192 192 GLU C C 192 176.100 176.731 -0.631 1 1 1720 . 2 1 1 A 192 192 GLU CA C 192 56.300 57.953 -1.653 1 1 1721 . 2 1 1 A 192 192 GLU CB C 192 29.800 30.651 -0.851 1 1 1722 . 2 1 1 A 192 192 GLU N N 192 123.400 124.846 -1.446 1 1 1723 . 2 1 1 A 193 193 GLU H H 193 8.490 8.281 0.209 1 1 1724 . 2 1 1 A 193 193 GLU HA H 193 4.150 4.451 -0.301 1 1 1727 . 2 1 1 A 193 193 GLU C C 193 176.700 175.573 1.127 1 1 1728 . 2 1 1 A 193 193 GLU CA C 193 59.200 56.443 2.757 1 1 1729 . 2 1 1 A 193 193 GLU CB C 193 29.000 30.476 -1.476 1 1 1730 . 2 1 1 A 193 193 GLU N N 193 122.400 117.946 4.454 1 1 1731 . 2 1 1 A 194 194 GLU H H 194 7.990 7.803 0.187 1 1 1732 . 2 1 1 A 194 194 GLU HA H 194 4.460 4.589 -0.129 1 1 1736 . 2 1 1 A 194 194 GLU C C 194 175.700 173.965 1.735 1 1 1737 . 2 1 1 A 194 194 GLU CA C 194 54.900 55.408 -0.508 1 1 1738 . 2 1 1 A 194 194 GLU CB C 194 31.400 31.341 0.059 1 1 1739 . 2 1 1 A 194 194 GLU N N 194 116.200 117.423 -1.223 1 1 1740 . 2 1 1 A 195 195 MET H H 195 8.760 8.538 0.222 1 1 1741 . 2 1 1 A 195 195 MET HA H 195 5.050 5.297 -0.247 1 1 1746 . 2 1 1 A 195 195 MET C C 195 175.900 175.058 0.842 1 1 1747 . 2 1 1 A 195 195 MET CA C 195 56.000 54.041 1.959 1 1 1748 . 2 1 1 A 195 195 MET CB C 195 33.200 33.483 -0.283 1 1 1749 . 2 1 1 A 195 195 MET N N 195 123.000 120.060 2.940 1 1 1750 . 2 1 1 A 196 196 THR H H 196 8.400 8.753 -0.353 1 1 1751 . 2 1 1 A 196 196 THR HA H 196 4.400 5.507 -1.107 1 1 1756 . 2 1 1 A 196 196 THR C C 196 172.000 173.567 -1.567 1 1 1757 . 2 1 1 A 196 196 THR CA C 196 62.900 59.900 3.000 1 1 1758 . 2 1 1 A 196 196 THR CB C 196 69.800 71.346 -1.546 1 1 1759 . 2 1 1 A 196 196 THR N N 196 122.000 115.125 6.875 1 1 1760 . 2 1 1 A 197 197 LYS H H 197 8.530 8.892 -0.362 1 1 1761 . 2 1 1 A 197 197 LYS HA H 197 5.420 4.928 0.492 1 1 1764 . 2 1 1 A 197 197 LYS C C 197 174.700 174.880 -0.180 1 1 1765 . 2 1 1 A 197 197 LYS CA C 197 55.000 54.974 0.026 1 1 1766 . 2 1 1 A 197 197 LYS CB C 197 35.600 35.147 0.453 1 1 1767 . 2 1 1 A 197 197 LYS N N 197 123.900 122.784 1.116 1 1 1768 . 2 1 1 A 198 198 TYR H H 198 9.540 9.458 0.082 1 1 1769 . 2 1 1 A 198 198 TYR HA H 198 4.880 5.221 -0.341 1 1 1772 . 2 1 1 A 198 198 TYR C C 198 174.400 173.402 0.998 1 1 1773 . 2 1 1 A 198 198 TYR CA C 198 57.700 56.283 1.417 1 1 1774 . 2 1 1 A 198 198 TYR CB C 198 41.700 42.231 -0.531 1 1 1775 . 2 1 1 A 198 198 TYR N N 198 117.900 124.310 -6.410 1 1 1776 . 2 1 1 A 199 199 LYS H H 199 9.290 8.388 0.902 1 1 1777 . 2 1 1 A 199 199 LYS HA H 199 5.070 4.563 0.507 1 1 1781 . 2 1 1 A 199 199 LYS CA C 199 52.500 52.285 0.215 1 1 1782 . 2 1 1 A 199 199 LYS CB C 199 35.400 34.465 0.935 1 1 1783 . 2 1 1 A 199 199 LYS N N 199 122.600 127.342 -4.742 1 1 1784 . 2 1 1 A 200 200 PRO HA H 200 4.120 4.514 -0.394 1 1 1785 . 2 1 1 A 200 200 PRO C C 200 176.700 175.859 0.841 1 1 1786 . 2 1 1 A 200 200 PRO CA C 200 62.000 62.277 -0.277 1 1 1787 . 2 1 1 A 200 200 PRO CB C 200 31.200 33.176 -1.976 1 1 1788 . 2 1 1 A 201 201 GLU H H 201 9.010 8.891 0.119 1 1 1789 . 2 1 1 A 201 201 GLU HA H 201 4.110 4.491 -0.381 1 1 1793 . 2 1 1 A 201 201 GLU C C 201 176.100 175.742 0.358 1 1 1794 . 2 1 1 A 201 201 GLU CA C 201 57.600 57.765 -0.165 1 1 1795 . 2 1 1 A 201 201 GLU CB C 201 30.400 32.817 -2.417 1 1 1796 . 2 1 1 A 201 201 GLU N N 201 119.700 120.419 -0.719 1 1 1797 . 2 1 1 A 202 202 SER H H 202 7.570 7.690 -0.120 1 1 1798 . 2 1 1 A 202 202 SER HA H 202 4.650 4.499 0.151 1 1 1801 . 2 1 1 A 202 202 SER C C 202 174.400 173.966 0.434 1 1 1802 . 2 1 1 A 202 202 SER CA C 202 56.400 58.215 -1.815 1 1 1803 . 2 1 1 A 202 202 SER CB C 202 65.100 64.191 0.909 1 1 1804 . 2 1 1 A 202 202 SER N N 202 111.900 112.070 -0.170 1 1 1805 . 2 1 1 A 203 203 GLU H H 203 8.790 8.794 -0.004 1 1 1806 . 2 1 1 A 203 203 GLU HA H 203 4.370 5.448 -1.078 1 1 1809 . 2 1 1 A 203 203 GLU C C 203 176.100 175.292 0.808 1 1 1810 . 2 1 1 A 203 203 GLU CA C 203 56.200 54.555 1.645 1 1 1811 . 2 1 1 A 203 203 GLU CB C 203 29.500 33.415 -3.915 1 1 1812 . 2 1 1 A 203 203 GLU N N 203 122.800 124.850 -2.050 1 1 1813 . 2 1 1 A 204 204 GLU H H 204 8.030 8.878 -0.848 1 1 1814 . 2 1 1 A 204 204 GLU HA H 204 4.110 4.649 -0.539 1 1 1817 . 2 1 1 A 204 204 GLU C C 204 176.300 175.447 0.853 1 1 1818 . 2 1 1 A 204 204 GLU CA C 204 57.300 56.302 0.998 1 1 1819 . 2 1 1 A 204 204 GLU CB C 204 31.100 31.034 0.066 1 1 1820 . 2 1 1 A 204 204 GLU N N 204 120.700 124.867 -4.167 1 1 1821 . 2 1 1 A 205 205 LEU H H 205 8.690 8.234 0.456 1 1 1822 . 2 1 1 A 205 205 LEU HA H 205 4.580 4.957 -0.377 1 1 1831 . 2 1 1 A 205 205 LEU C C 205 176.300 177.138 -0.838 1 1 1832 . 2 1 1 A 205 205 LEU CA C 205 53.100 53.237 -0.137 1 1 1833 . 2 1 1 A 205 205 LEU CB C 205 41.100 44.823 -3.723 1 1 1834 . 2 1 1 A 205 205 LEU N N 205 125.500 122.094 3.406 1 1 1835 . 2 1 1 A 206 206 THR H H 206 6.800 8.906 -2.106 1 1 1836 . 2 1 1 A 206 206 THR HA H 206 4.370 3.939 0.431 1 1 1841 . 2 1 1 A 206 206 THR C C 206 175.200 175.957 -0.757 1 1 1842 . 2 1 1 A 206 206 THR CA C 206 59.400 65.963 -6.563 1 1 1843 . 2 1 1 A 206 206 THR CB C 206 70.400 69.237 1.163 1 1 1844 . 2 1 1 A 206 206 THR N N 206 108.200 120.183 -11.983 1 1 1845 . 2 1 1 A 207 207 ALA H H 207 9.320 8.366 0.954 1 1 1846 . 2 1 1 A 207 207 ALA HA H 207 4.010 3.877 0.133 1 1 1850 . 2 1 1 A 207 207 ALA C C 207 180.800 179.932 0.868 1 1 1851 . 2 1 1 A 207 207 ALA CA C 207 56.000 55.103 0.897 1 1 1852 . 2 1 1 A 207 207 ALA CB C 207 18.200 17.988 0.212 1 1 1853 . 2 1 1 A 207 207 ALA N N 207 125.300 122.750 2.550 1 1 1854 . 2 1 1 A 208 208 GLU H H 208 9.390 8.115 1.275 1 1 1855 . 2 1 1 A 208 208 GLU HA H 208 4.050 3.905 0.145 1 1 1859 . 2 1 1 A 208 208 GLU C C 208 179.100 178.605 0.495 1 1 1860 . 2 1 1 A 208 208 GLU CA C 208 60.200 59.380 0.820 1 1 1861 . 2 1 1 A 208 208 GLU CB C 208 29.100 29.027 0.073 1 1 1862 . 2 1 1 A 208 208 GLU N N 208 118.500 118.237 0.263 1 1 1863 . 2 1 1 A 209 209 ARG H H 209 7.700 8.920 -1.220 1 1 1864 . 2 1 1 A 209 209 ARG HA H 209 4.230 3.687 0.543 1 1 1867 . 2 1 1 A 209 209 ARG C C 209 180.000 178.240 1.760 1 1 1868 . 2 1 1 A 209 209 ARG CA C 209 57.900 58.462 -0.562 1 1 1869 . 2 1 1 A 209 209 ARG CB C 209 30.100 29.894 0.206 1 1 1870 . 2 1 1 A 209 209 ARG N N 209 119.700 120.294 -0.594 1 1 1871 . 2 1 1 A 210 210 ILE H H 210 8.540 7.378 1.162 1 1 1872 . 2 1 1 A 210 210 ILE HA H 210 3.950 3.788 0.162 1 1 1880 . 2 1 1 A 210 210 ILE C C 210 178.000 177.786 0.214 1 1 1881 . 2 1 1 A 210 210 ILE CA C 210 65.400 64.010 1.390 1 1 1882 . 2 1 1 A 210 210 ILE CB C 210 38.300 37.300 1.000 1 1 1883 . 2 1 1 A 210 210 ILE N N 210 122.000 118.639 3.361 1 1 1884 . 2 1 1 A 211 211 THR H H 211 8.620 8.420 0.200 1 1 1885 . 2 1 1 A 211 211 THR HA H 211 4.040 3.665 0.375 1 1 1890 . 2 1 1 A 211 211 THR C C 211 175.300 176.217 -0.917 1 1 1891 . 2 1 1 A 211 211 THR CA C 211 67.800 66.999 0.801 1 1 1892 . 2 1 1 A 211 211 THR CB C 211 68.300 68.100 0.200 1 1 1893 . 2 1 1 A 211 211 THR N N 211 117.100 118.045 -0.945 1 1 1894 . 2 1 1 A 212 212 GLU H H 212 8.050 7.625 0.425 1 1 1895 . 2 1 1 A 212 212 GLU HA H 212 4.280 3.819 0.461 1 1 1898 . 2 1 1 A 212 212 GLU C C 212 177.200 179.459 -2.259 1 1 1899 . 2 1 1 A 212 212 GLU CA C 212 59.700 59.569 0.131 1 1 1900 . 2 1 1 A 212 212 GLU CB C 212 30.300 29.478 0.822 1 1 1901 . 2 1 1 A 212 212 GLU N N 212 121.600 120.122 1.478 1 1 1902 . 2 1 1 A 213 213 PHE H H 213 7.890 7.349 0.541 1 1 1903 . 2 1 1 A 213 213 PHE HA H 213 4.620 4.455 0.165 1 1 1906 . 2 1 1 A 213 213 PHE C C 213 176.300 178.314 -2.014 1 1 1907 . 2 1 1 A 213 213 PHE CA C 213 59.300 60.762 -1.462 1 1 1908 . 2 1 1 A 213 213 PHE CB C 213 38.700 38.712 -0.012 1 1 1909 . 2 1 1 A 213 213 PHE N N 213 119.700 119.108 0.592 1 1 1910 . 2 1 1 A 214 214 CYS H H 214 7.700 7.890 -0.190 1 1 1911 . 2 1 1 A 214 214 CYS HA H 214 3.260 3.885 -0.625 1 1 1914 . 2 1 1 A 214 214 CYS C C 214 177.000 177.364 -0.364 1 1 1915 . 2 1 1 A 214 214 CYS CA C 214 64.500 63.046 1.454 1 1 1916 . 2 1 1 A 214 214 CYS CB C 214 27.400 26.370 1.030 1 1 1917 . 2 1 1 A 214 214 CYS N N 214 116.000 118.051 -2.051 1 1 1918 . 2 1 1 A 215 215 HIS H H 215 8.640 8.320 0.320 1 1 1919 . 2 1 1 A 215 215 HIS HA H 215 4.500 4.048 0.452 1 1 1922 . 2 1 1 A 215 215 HIS C C 215 178.100 177.205 0.895 1 1 1923 . 2 1 1 A 215 215 HIS CA C 215 60.300 60.369 -0.069 1 1 1924 . 2 1 1 A 215 215 HIS CB C 215 30.300 29.790 0.510 1 1 1925 . 2 1 1 A 215 215 HIS N N 215 118.100 119.260 -1.160 1 1 1926 . 2 1 1 A 216 216 ARG H H 216 8.730 8.398 0.332 1 1 1927 . 2 1 1 A 216 216 ARG HA H 216 3.920 3.783 0.137 1 1 1930 . 2 1 1 A 216 216 ARG C C 216 179.100 178.449 0.651 1 1 1931 . 2 1 1 A 216 216 ARG CA C 216 59.800 59.605 0.195 1 1 1932 . 2 1 1 A 216 216 ARG CB C 216 30.100 29.816 0.284 1 1 1933 . 2 1 1 A 216 216 ARG N N 216 118.700 118.200 0.500 1 1 1934 . 2 1 1 A 217 217 PHE H H 217 8.390 8.117 0.273 1 1 1935 . 2 1 1 A 217 217 PHE HA H 217 3.970 4.121 -0.151 1 1 1938 . 2 1 1 A 217 217 PHE C C 217 179.200 177.028 2.172 1 1 1939 . 2 1 1 A 217 217 PHE CA C 217 60.700 61.190 -0.490 1 1 1940 . 2 1 1 A 217 217 PHE CB C 217 37.800 38.976 -1.176 1 1 1941 . 2 1 1 A 217 217 PHE N N 217 120.600 120.749 -0.149 1 1 1942 . 2 1 1 A 218 218 LEU H H 218 8.250 8.749 -0.499 1 1 1943 . 2 1 1 A 218 218 LEU HA H 218 3.500 4.206 -0.706 1 1 1953 . 2 1 1 A 218 218 LEU C C 218 178.800 178.194 0.606 1 1 1954 . 2 1 1 A 218 218 LEU CA C 218 57.400 57.027 0.373 1 1 1955 . 2 1 1 A 218 218 LEU CB C 218 41.300 41.224 0.076 1 1 1956 . 2 1 1 A 218 218 LEU N N 218 123.500 119.159 4.341 1 1 1957 . 2 1 1 A 219 219 GLU H H 219 7.770 7.509 0.261 1 1 1958 . 2 1 1 A 219 219 GLU HA H 219 4.200 4.345 -0.145 1 1 1963 . 2 1 1 A 219 219 GLU C C 219 176.800 176.851 -0.051 1 1 1964 . 2 1 1 A 219 219 GLU CA C 219 56.200 56.272 -0.072 1 1 1965 . 2 1 1 A 219 219 GLU CB C 219 30.600 29.943 0.657 1 1 1966 . 2 1 1 A 219 219 GLU N N 219 116.400 117.261 -0.861 1 1 1967 . 2 1 1 A 220 220 GLY H H 220 7.720 7.936 -0.216 1 1 1968 . 2 1 1 A 220 220 GLY HA2 H 220 3.890 3.921 -0.031 1 1 1969 . 2 1 1 A 220 220 GLY HA3 H 220 3.960 3.935 0.025 1 1 1970 . 2 1 1 A 220 220 GLY C C 220 176.300 174.796 1.504 1 1 1971 . 2 1 1 A 220 220 GLY CA C 220 46.300 46.431 -0.131 1 1 1972 . 2 1 1 A 220 220 GLY N N 220 108.600 108.968 -0.368 1 1 1973 . 2 1 1 A 221 221 LYS H H 221 8.000 7.210 0.790 1 1 1974 . 2 1 1 A 221 221 LYS HA H 221 4.320 4.355 -0.035 1 1 1978 . 2 1 1 A 221 221 LYS C C 221 175.900 176.241 -0.341 1 1 1979 . 2 1 1 A 221 221 LYS CA C 221 56.100 55.635 0.465 1 1 1980 . 2 1 1 A 221 221 LYS CB C 221 33.700 33.163 0.537 1 1 1981 . 2 1 1 A 221 221 LYS N N 221 116.600 119.844 -3.244 1 1 1982 . 2 1 1 A 222 222 ILE H H 222 7.910 8.402 -0.492 1 1 1983 . 2 1 1 A 222 222 ILE HA H 222 4.570 4.178 0.392 1 1 1992 . 2 1 1 A 222 222 ILE C C 222 175.400 175.987 -0.587 1 1 1993 . 2 1 1 A 222 222 ILE CA C 222 59.200 60.140 -0.940 1 1 1994 . 2 1 1 A 222 222 ILE CB C 222 38.800 39.743 -0.943 1 1 1995 . 2 1 1 A 222 222 ILE N N 222 118.900 116.778 2.122 1 1 1996 . 2 1 1 A 223 223 LYS H H 223 8.760 8.276 0.484 1 1 1997 . 2 1 1 A 223 223 LYS HA H 223 4.570 4.532 0.038 1 1 2000 . 2 1 1 A 223 223 LYS CA C 223 54.300 54.624 -0.324 1 1 2001 . 2 1 1 A 223 223 LYS CB C 223 32.000 32.794 -0.794 1 1 2002 . 2 1 1 A 223 223 LYS N N 223 127.700 119.181 8.519 1 1 2003 . 2 1 1 A 224 224 PRO C C 224 175.900 176.643 -0.743 1 1 2004 . 2 1 1 A 224 224 PRO CA C 224 63.000 62.249 0.751 1 1 2005 . 2 1 1 A 224 224 PRO CB C 224 32.300 33.210 -0.910 1 1 2006 . 2 1 1 A 225 225 HIS H H 225 8.770 8.188 0.582 1 1 2007 . 2 1 1 A 225 225 HIS C C 225 174.700 174.484 0.216 1 1 2008 . 2 1 1 A 225 225 HIS CA C 225 55.800 55.700 0.100 1 1 2009 . 2 1 1 A 225 225 HIS CB C 225 31.100 31.185 -0.085 1 1 2010 . 2 1 1 A 225 225 HIS N N 225 121.800 116.774 5.026 1 1 2011 . 2 1 1 A 226 226 LEU H H 226 8.160 8.729 -0.569 1 1 2012 . 2 1 1 A 226 226 LEU C C 226 176.400 177.110 -0.710 1 1 2013 . 2 1 1 A 226 226 LEU CA C 226 54.500 53.381 1.119 1 1 2014 . 2 1 1 A 226 226 LEU CB C 226 42.300 44.417 -2.117 1 1 2015 . 2 1 1 A 226 226 LEU N N 226 127.000 119.540 7.460 1 1 2016 . 2 1 1 A 227 227 MET H H 227 7.980 8.624 -0.644 1 1 2017 . 2 1 1 A 227 227 MET C C 227 175.100 176.154 -1.054 1 1 2018 . 2 1 1 A 227 227 MET CA C 227 55.400 57.791 -2.391 1 1 2019 . 2 1 1 A 227 227 MET CB C 227 33.000 34.478 -1.478 1 1 2020 . 2 1 1 A 227 227 MET N N 227 120.800 119.529 1.271 1 1 2025 . 2 2 1 A 2 2 PRO C C 2 176.900 176.324 0.576 1 1 2026 . 2 2 1 A 2 2 PRO CA C 2 63.300 63.601 -0.301 1 1 2027 . 2 2 1 A 2 2 PRO CB C 2 32.200 31.773 0.427 1 1 2028 . 2 2 1 A 3 3 LEU H H 3 8.510 7.483 1.027 1 1 2029 . 2 2 1 A 3 3 LEU C C 3 177.700 177.951 -0.251 1 1 2030 . 2 2 1 A 3 3 LEU CA C 3 55.300 55.469 -0.169 1 1 2031 . 2 2 1 A 3 3 LEU CB C 3 42.100 43.032 -0.932 1 1 2032 . 2 2 1 A 3 3 LEU N N 3 121.400 120.557 0.843 1 1 2033 . 2 2 1 A 4 4 GLY H H 4 8.190 8.814 -0.624 1 1 2034 . 2 2 1 A 4 4 GLY C C 4 172.900 173.881 -0.981 1 1 2035 . 2 2 1 A 4 4 GLY CA C 4 45.200 45.099 0.101 1 1 2036 . 2 2 1 A 4 4 GLY N N 4 109.400 111.072 -1.672 1 1 2037 . 2 2 1 A 5 5 SER H H 5 7.830 7.810 0.020 1 1 2038 . 2 2 1 A 5 5 SER CA C 5 55.500 55.457 0.043 1 1 2039 . 2 2 1 A 5 5 SER CB C 5 64.100 64.168 -0.068 1 1 2040 . 2 2 1 A 5 5 SER N N 5 115.400 117.735 -2.335 1 1 2041 . 2 2 1 A 221 221 LYS C C 221 176.800 176.241 0.559 1 1 2042 . 2 2 1 A 221 221 LYS CA C 221 56.100 55.635 0.465 1 1 2043 . 2 2 1 A 221 221 LYS CB C 221 32.500 33.163 -0.663 1 1 2044 . 2 2 1 A 222 222 ILE H H 222 7.630 8.402 -0.772 1 1 2045 . 2 2 1 A 222 222 ILE C C 222 175.800 175.987 -0.187 1 1 2046 . 2 2 1 A 222 222 ILE CA C 222 61.300 60.140 1.160 1 1 2047 . 2 2 1 A 222 222 ILE CB C 222 38.500 39.743 -1.243 1 1 2048 . 2 2 1 A 222 222 ILE N N 222 118.900 116.778 2.122 1 1 2049 . 2 2 1 A 223 223 LYS H H 223 8.080 8.276 -0.196 1 1 2050 . 2 2 1 A 223 223 LYS CA C 223 54.300 54.624 -0.324 1 1 2051 . 2 2 1 A 223 223 LYS CB C 223 32.400 32.794 -0.394 1 1 2052 . 2 2 1 A 223 223 LYS N N 223 125.500 119.181 6.319 1 1 2053 . 2 2 1 A 224 224 PRO C C 224 176.700 176.643 0.057 1 1 2054 . 2 2 1 A 224 224 PRO CA C 224 63.400 62.249 1.151 1 1 2055 . 2 2 1 A 224 224 PRO CB C 224 31.800 33.210 -1.410 1 1 2056 . 2 2 1 A 225 225 HIS H H 225 8.330 8.188 0.142 1 1 2057 . 2 2 1 A 225 225 HIS C C 225 175.000 174.484 0.516 1 1 2058 . 2 2 1 A 225 225 HIS CA C 225 56.100 55.700 0.400 1 1 2059 . 2 2 1 A 225 225 HIS CB C 225 30.300 31.185 -0.885 1 1 2060 . 2 2 1 A 225 225 HIS N N 225 119.000 116.774 2.226 1 1 2061 . 2 2 1 A 226 226 LEU H H 226 8.030 8.729 -0.699 1 1 2062 . 2 2 1 A 226 226 LEU C C 226 176.800 177.110 -0.310 1 1 2063 . 2 2 1 A 226 226 LEU CA C 226 55.000 53.381 1.619 1 1 2064 . 2 2 1 A 226 226 LEU CB C 226 42.300 44.417 -2.117 1 1 2065 . 2 2 1 A 226 226 LEU N N 226 123.200 119.540 3.660 1 1 2066 . 2 2 1 A 227 227 MET H H 227 8.280 8.624 -0.344 1 1 2067 . 2 2 1 A 227 227 MET CA C 227 55.300 57.791 -2.491 1 1 2068 . 2 2 1 A 227 227 MET CB C 227 32.900 34.478 -1.578 1 1 1 . 3 1 1 A 2 2 PRO C C 2 176.900 178.129 -1.229 1 1 2 . 3 1 1 A 2 2 PRO CA C 2 63.000 63.934 -0.934 1 1 3 . 3 1 1 A 2 2 PRO CB C 2 32.100 31.713 0.387 1 1 4 . 3 1 1 A 3 3 LEU H H 3 8.510 8.115 0.395 1 1 5 . 3 1 1 A 3 3 LEU HA H 3 4.320 4.309 0.011 1 1 10 . 3 1 1 A 3 3 LEU C C 3 177.900 176.721 1.179 1 1 11 . 3 1 1 A 3 3 LEU CA C 3 55.500 55.828 -0.328 1 1 12 . 3 1 1 A 3 3 LEU CB C 3 42.000 43.167 -1.167 1 1 13 . 3 1 1 A 3 3 LEU N N 3 122.400 118.771 3.629 1 1 14 . 3 1 1 A 4 4 GLY H H 4 8.450 6.853 1.597 1 1 15 . 3 1 1 A 4 4 GLY HA2 H 4 3.900 3.981 -0.081 1 1 16 . 3 1 1 A 4 4 GLY HA3 H 4 4.020 3.985 0.035 1 1 17 . 3 1 1 A 4 4 GLY C C 4 173.800 171.403 2.397 1 1 18 . 3 1 1 A 4 4 GLY CA C 4 45.100 45.514 -0.414 1 1 19 . 3 1 1 A 4 4 GLY N N 4 110.200 107.234 2.966 1 1 20 . 3 1 1 A 5 5 SER H H 5 8.040 8.584 -0.544 1 1 21 . 3 1 1 A 5 5 SER HA H 5 4.010 5.133 -1.123 1 1 23 . 3 1 1 A 5 5 SER CA C 5 56.300 54.879 1.421 1 1 24 . 3 1 1 A 5 5 SER CB C 5 63.300 64.508 -1.208 1 1 25 . 3 1 1 A 5 5 SER N N 5 116.900 115.661 1.239 1 1 26 . 3 1 1 A 6 6 PRO HA H 6 4.450 4.461 -0.011 1 1 29 . 3 1 1 A 6 6 PRO C C 6 176.700 177.703 -1.003 1 1 30 . 3 1 1 A 6 6 PRO CA C 6 63.000 63.035 -0.035 1 1 31 . 3 1 1 A 6 6 PRO CB C 6 32.000 31.795 0.205 1 1 32 . 3 1 1 A 7 7 ALA H H 7 8.560 8.466 0.094 1 1 33 . 3 1 1 A 7 7 ALA HA H 7 4.100 4.185 -0.085 1 1 37 . 3 1 1 A 7 7 ALA C C 7 176.600 177.404 -0.804 1 1 38 . 3 1 1 A 7 7 ALA CA C 7 53.400 54.413 -1.013 1 1 39 . 3 1 1 A 7 7 ALA CB C 7 19.600 19.840 -0.240 1 1 40 . 3 1 1 A 7 7 ALA N N 7 123.600 126.311 -2.711 1 1 41 . 3 1 1 A 8 8 ALA H H 8 7.410 7.500 -0.090 1 1 42 . 3 1 1 A 8 8 ALA HA H 8 4.680 5.325 -0.645 1 1 46 . 3 1 1 A 8 8 ALA C C 8 175.900 176.159 -0.259 1 1 47 . 3 1 1 A 8 8 ALA CA C 8 50.100 50.752 -0.652 1 1 48 . 3 1 1 A 8 8 ALA CB C 8 21.300 20.923 0.377 1 1 49 . 3 1 1 A 8 8 ALA N N 8 116.200 119.383 -3.183 1 1 50 . 3 1 1 A 9 9 THR H H 9 8.670 9.400 -0.730 1 1 51 . 3 1 1 A 9 9 THR HA H 9 4.330 5.047 -0.717 1 1 56 . 3 1 1 A 9 9 THR C C 9 174.400 173.988 0.412 1 1 57 . 3 1 1 A 9 9 THR CA C 9 62.600 61.593 1.007 1 1 58 . 3 1 1 A 9 9 THR CB C 9 70.100 70.641 -0.541 1 1 59 . 3 1 1 A 9 9 THR N N 9 119.900 116.408 3.492 1 1 60 . 3 1 1 A 10 10 THR H H 10 9.000 8.869 0.131 1 1 61 . 3 1 1 A 10 10 THR HA H 10 4.580 5.612 -1.032 1 1 66 . 3 1 1 A 10 10 THR C C 10 174.100 173.661 0.439 1 1 67 . 3 1 1 A 10 10 THR CA C 10 63.900 60.475 3.425 1 1 68 . 3 1 1 A 10 10 THR CB C 10 68.500 70.206 -1.706 1 1 69 . 3 1 1 A 10 10 THR N N 10 125.900 119.145 6.755 1 1 70 . 3 1 1 A 11 11 LEU H H 11 9.010 8.817 0.193 1 1 71 . 3 1 1 A 11 11 LEU HA H 11 4.970 4.745 0.225 1 1 77 . 3 1 1 A 11 11 LEU CA C 11 50.200 52.595 -2.395 1 1 78 . 3 1 1 A 11 11 LEU CB C 11 41.700 42.728 -1.028 1 1 79 . 3 1 1 A 11 11 LEU N N 11 127.200 123.245 3.955 1 1 80 . 3 1 1 A 12 12 PRO HA H 12 4.520 4.457 0.063 1 1 83 . 3 1 1 A 12 12 PRO C C 12 175.300 175.705 -0.405 1 1 84 . 3 1 1 A 12 12 PRO CA C 12 63.900 63.982 -0.082 1 1 85 . 3 1 1 A 12 12 PRO CB C 12 32.700 31.919 0.781 1 1 86 . 3 1 1 A 13 13 ASP H H 13 7.110 7.654 -0.544 1 1 87 . 3 1 1 A 13 13 ASP HA H 13 4.420 4.827 -0.407 1 1 90 . 3 1 1 A 13 13 ASP C C 13 175.400 176.527 -1.127 1 1 91 . 3 1 1 A 13 13 ASP CA C 13 52.300 53.163 -0.863 1 1 92 . 3 1 1 A 13 13 ASP CB C 13 42.000 44.893 -2.893 1 1 93 . 3 1 1 A 13 13 ASP N N 13 112.100 116.951 -4.851 1 1 94 . 3 1 1 A 14 14 GLY H H 14 9.120 9.125 -0.005 1 1 95 . 3 1 1 A 14 14 GLY HA2 H 14 3.610 3.797 -0.187 1 1 96 . 3 1 1 A 14 14 GLY HA3 H 14 4.010 3.824 0.186 1 1 97 . 3 1 1 A 14 14 GLY C C 14 175.100 175.891 -0.791 1 1 98 . 3 1 1 A 14 14 GLY CA C 14 47.400 47.474 -0.074 1 1 99 . 3 1 1 A 14 14 GLY N N 14 106.600 110.318 -3.718 1 1 100 . 3 1 1 A 15 15 ALA H H 15 8.050 8.061 -0.011 1 1 101 . 3 1 1 A 15 15 ALA HA H 15 4.170 4.023 0.147 1 1 105 . 3 1 1 A 15 15 ALA C C 15 180.500 179.804 0.696 1 1 106 . 3 1 1 A 15 15 ALA CA C 15 54.800 54.631 0.169 1 1 107 . 3 1 1 A 15 15 ALA CB C 15 17.600 17.982 -0.382 1 1 108 . 3 1 1 A 15 15 ALA N N 15 125.100 124.597 0.503 1 1 109 . 3 1 1 A 16 16 ALA H H 16 8.260 8.020 0.240 1 1 110 . 3 1 1 A 16 16 ALA HA H 16 4.170 4.101 0.069 1 1 114 . 3 1 1 A 16 16 ALA C C 16 180.500 179.559 0.941 1 1 115 . 3 1 1 A 16 16 ALA CA C 16 54.500 54.892 -0.392 1 1 116 . 3 1 1 A 16 16 ALA CB C 16 18.600 18.200 0.400 1 1 117 . 3 1 1 A 16 16 ALA N N 16 121.600 119.716 1.884 1 1 118 . 3 1 1 A 17 17 ALA H H 17 7.600 8.270 -0.670 1 1 119 . 3 1 1 A 17 17 ALA HA H 17 3.990 3.954 0.036 1 1 123 . 3 1 1 A 17 17 ALA C C 17 177.200 179.289 -2.089 1 1 124 . 3 1 1 A 17 17 ALA CA C 17 55.400 55.409 -0.009 1 1 125 . 3 1 1 A 17 17 ALA CB C 17 18.700 18.203 0.497 1 1 126 . 3 1 1 A 17 17 ALA N N 17 120.600 120.254 0.346 1 1 127 . 3 1 1 A 18 18 GLU H H 18 8.450 7.984 0.466 1 1 128 . 3 1 1 A 18 18 GLU HA H 18 3.790 4.101 -0.311 1 1 132 . 3 1 1 A 18 18 GLU C C 18 178.800 178.857 -0.057 1 1 133 . 3 1 1 A 18 18 GLU CA C 18 59.200 59.203 -0.003 1 1 134 . 3 1 1 A 18 18 GLU CB C 18 29.500 29.500 0.000 1 1 135 . 3 1 1 A 18 18 GLU N N 18 117.100 117.228 -0.128 1 1 136 . 3 1 1 A 19 19 SER H H 19 7.920 7.686 0.234 1 1 137 . 3 1 1 A 19 19 SER HA H 19 4.150 4.123 0.027 1 1 139 . 3 1 1 A 19 19 SER C C 19 176.800 176.779 0.021 1 1 140 . 3 1 1 A 19 19 SER CA C 19 61.300 62.337 -1.037 1 1 141 . 3 1 1 A 19 19 SER CB C 19 62.400 63.070 -0.670 1 1 142 . 3 1 1 A 19 19 SER N N 19 112.800 117.204 -4.404 1 1 143 . 3 1 1 A 20 20 LEU H H 20 7.460 7.589 -0.129 1 1 144 . 3 1 1 A 20 20 LEU HA H 20 4.020 3.910 0.110 1 1 153 . 3 1 1 A 20 20 LEU C C 20 179.200 179.026 0.174 1 1 154 . 3 1 1 A 20 20 LEU CA C 20 58.400 57.892 0.508 1 1 155 . 3 1 1 A 20 20 LEU CB C 20 41.600 41.222 0.378 1 1 156 . 3 1 1 A 20 20 LEU N N 20 123.000 119.685 3.315 1 1 157 . 3 1 1 A 21 21 VAL H H 21 7.980 7.849 0.131 1 1 158 . 3 1 1 A 21 21 VAL HA H 21 3.090 3.479 -0.389 1 1 166 . 3 1 1 A 21 21 VAL C C 21 177.600 178.102 -0.502 1 1 167 . 3 1 1 A 21 21 VAL CA C 21 66.800 66.597 0.203 1 1 168 . 3 1 1 A 21 21 VAL CB C 21 31.600 31.666 -0.066 1 1 169 . 3 1 1 A 21 21 VAL N N 21 119.500 119.658 -0.158 1 1 170 . 3 1 1 A 22 22 GLU H H 22 8.180 8.968 -0.788 1 1 171 . 3 1 1 A 22 22 GLU HA H 22 4.040 4.000 0.040 1 1 174 . 3 1 1 A 22 22 GLU C C 22 178.700 178.872 -0.172 1 1 175 . 3 1 1 A 22 22 GLU CA C 22 58.000 59.615 -1.615 1 1 176 . 3 1 1 A 22 22 GLU CB C 22 29.500 29.437 0.063 1 1 177 . 3 1 1 A 22 22 GLU N N 22 114.800 120.290 -5.490 1 1 178 . 3 1 1 A 23 23 SER H H 23 7.570 7.736 -0.166 1 1 179 . 3 1 1 A 23 23 SER HA H 23 4.360 4.338 0.022 1 1 182 . 3 1 1 A 23 23 SER C C 23 173.700 174.084 -0.384 1 1 183 . 3 1 1 A 23 23 SER CA C 23 59.800 60.532 -0.732 1 1 184 . 3 1 1 A 23 23 SER CB C 23 64.000 62.932 1.068 1 1 185 . 3 1 1 A 23 23 SER N N 23 112.500 114.675 -2.175 1 1 186 . 3 1 1 A 24 24 SER H H 24 7.080 8.353 -1.273 1 1 187 . 3 1 1 A 24 24 SER HA H 24 4.800 4.681 0.119 1 1 190 . 3 1 1 A 24 24 SER C C 24 172.800 174.090 -1.290 1 1 191 . 3 1 1 A 24 24 SER CA C 24 57.200 56.867 0.333 1 1 192 . 3 1 1 A 24 24 SER CB C 24 65.400 65.948 -0.548 1 1 193 . 3 1 1 A 24 24 SER N N 24 115.400 110.586 4.814 1 1 194 . 3 1 1 A 25 25 GLU H H 25 8.700 8.706 -0.006 1 1 195 . 3 1 1 A 25 25 GLU HA H 25 3.970 4.106 -0.136 1 1 199 . 3 1 1 A 25 25 GLU C C 25 175.700 176.047 -0.347 1 1 200 . 3 1 1 A 25 25 GLU CA C 25 59.900 59.370 0.530 1 1 201 . 3 1 1 A 25 25 GLU CB C 25 30.300 29.048 1.252 1 1 202 . 3 1 1 A 25 25 GLU N N 25 124.500 123.163 1.337 1 1 203 . 3 1 1 A 26 26 VAL H H 26 7.320 8.024 -0.704 1 1 204 . 3 1 1 A 26 26 VAL HA H 26 5.000 4.709 0.291 1 1 212 . 3 1 1 A 26 26 VAL C C 26 174.300 174.447 -0.147 1 1 213 . 3 1 1 A 26 26 VAL CA C 26 60.500 60.541 -0.041 1 1 214 . 3 1 1 A 26 26 VAL CB C 26 35.700 35.136 0.564 1 1 215 . 3 1 1 A 26 26 VAL N N 26 113.500 117.211 -3.711 1 1 216 . 3 1 1 A 27 27 ALA H H 27 9.130 8.520 0.610 1 1 217 . 3 1 1 A 27 27 ALA HA H 27 4.820 5.004 -0.184 1 1 221 . 3 1 1 A 27 27 ALA C C 27 175.000 175.814 -0.814 1 1 222 . 3 1 1 A 27 27 ALA CA C 27 51.200 50.846 0.354 1 1 223 . 3 1 1 A 27 27 ALA CB C 27 23.000 23.773 -0.773 1 1 224 . 3 1 1 A 27 27 ALA N N 27 127.200 127.465 -0.265 1 1 225 . 3 1 1 A 28 28 VAL H H 28 7.980 8.070 -0.090 1 1 226 . 3 1 1 A 28 28 VAL HA H 28 5.080 4.763 0.317 1 1 234 . 3 1 1 A 28 28 VAL C C 28 174.600 174.749 -0.149 1 1 235 . 3 1 1 A 28 28 VAL CA C 28 60.800 61.035 -0.235 1 1 236 . 3 1 1 A 28 28 VAL CB C 28 34.300 33.672 0.628 1 1 237 . 3 1 1 A 28 28 VAL N N 28 120.100 118.690 1.410 1 1 238 . 3 1 1 A 29 29 ILE H H 29 9.080 9.251 -0.171 1 1 239 . 3 1 1 A 29 29 ILE HA H 29 4.780 5.766 -0.986 1 1 247 . 3 1 1 A 29 29 ILE C C 29 173.300 175.033 -1.733 1 1 248 . 3 1 1 A 29 29 ILE CA C 29 60.000 59.658 0.342 1 1 249 . 3 1 1 A 29 29 ILE CB C 29 40.300 41.460 -1.160 1 1 250 . 3 1 1 A 29 29 ILE N N 29 124.300 126.920 -2.620 1 1 251 . 3 1 1 A 30 30 GLY H H 30 8.610 9.701 -1.091 1 1 252 . 3 1 1 A 30 30 GLY HA2 H 30 1.910 4.529 -2.619 1 1 253 . 3 1 1 A 30 30 GLY HA3 H 30 3.960 4.623 -0.663 1 1 254 . 3 1 1 A 30 30 GLY C C 30 169.300 172.060 -2.760 1 1 255 . 3 1 1 A 30 30 GLY CA C 30 44.500 44.408 0.092 1 1 256 . 3 1 1 A 30 30 GLY N N 30 115.800 114.579 1.221 1 1 257 . 3 1 1 A 31 31 PHE H H 31 8.470 9.563 -1.093 1 1 258 . 3 1 1 A 31 31 PHE HA H 31 4.200 5.447 -1.247 1 1 261 . 3 1 1 A 31 31 PHE C C 31 172.800 175.085 -2.285 1 1 262 . 3 1 1 A 31 31 PHE CA C 31 55.000 56.852 -1.852 1 1 263 . 3 1 1 A 31 31 PHE CB C 31 36.500 40.839 -4.339 1 1 264 . 3 1 1 A 31 31 PHE N N 31 127.800 122.727 5.073 1 1 265 . 3 1 1 A 32 32 PHE H H 32 8.200 8.945 -0.745 1 1 266 . 3 1 1 A 32 32 PHE HA H 32 4.980 5.036 -0.056 1 1 269 . 3 1 1 A 32 32 PHE C C 32 174.400 175.809 -1.409 1 1 270 . 3 1 1 A 32 32 PHE CA C 32 55.700 56.306 -0.606 1 1 271 . 3 1 1 A 32 32 PHE CB C 32 42.900 42.499 0.401 1 1 272 . 3 1 1 A 32 32 PHE N N 32 116.900 121.239 -4.339 1 1 273 . 3 1 1 A 33 33 LYS H H 33 9.420 8.823 0.597 1 1 274 . 3 1 1 A 33 33 LYS HA H 33 4.020 4.532 -0.512 1 1 279 . 3 1 1 A 33 33 LYS C C 33 176.700 176.800 -0.100 1 1 280 . 3 1 1 A 33 33 LYS CA C 33 58.900 58.142 0.758 1 1 281 . 3 1 1 A 33 33 LYS CB C 33 31.900 33.174 -1.274 1 1 282 . 3 1 1 A 33 33 LYS N N 33 124.700 123.006 1.694 1 1 283 . 3 1 1 A 34 34 ASP H H 34 8.920 8.015 0.905 1 1 284 . 3 1 1 A 34 34 ASP HA H 34 5.020 4.998 0.022 1 1 287 . 3 1 1 A 34 34 ASP C C 34 177.800 176.219 1.581 1 1 288 . 3 1 1 A 34 34 ASP CA C 34 51.700 52.951 -1.251 1 1 289 . 3 1 1 A 34 34 ASP CB C 34 41.800 40.939 0.861 1 1 290 . 3 1 1 A 34 34 ASP N N 34 117.300 119.217 -1.917 1 1 291 . 3 1 1 A 35 35 VAL H H 35 8.560 8.474 0.086 1 1 292 . 3 1 1 A 35 35 VAL HA H 35 3.790 3.801 -0.011 1 1 300 . 3 1 1 A 35 35 VAL C C 35 174.500 177.213 -2.713 1 1 301 . 3 1 1 A 35 35 VAL CA C 35 63.900 64.413 -0.513 1 1 302 . 3 1 1 A 35 35 VAL CB C 35 30.500 31.602 -1.102 1 1 303 . 3 1 1 A 35 35 VAL N N 35 120.700 124.119 -3.419 1 1 304 . 3 1 1 A 36 36 GLU H H 36 8.250 7.823 0.427 1 1 305 . 3 1 1 A 36 36 GLU HA H 36 4.390 4.324 0.066 1 1 309 . 3 1 1 A 36 36 GLU C C 36 176.600 177.501 -0.901 1 1 310 . 3 1 1 A 36 36 GLU CA C 36 54.800 58.026 -3.226 1 1 311 . 3 1 1 A 36 36 GLU CB C 36 29.200 29.957 -0.757 1 1 312 . 3 1 1 A 36 36 GLU N N 36 117.200 121.173 -3.973 1 1 313 . 3 1 1 A 37 37 SER H H 37 7.560 7.746 -0.186 1 1 314 . 3 1 1 A 37 37 SER HA H 37 4.300 4.383 -0.083 1 1 317 . 3 1 1 A 37 37 SER C C 37 174.000 174.737 -0.737 1 1 318 . 3 1 1 A 37 37 SER CA C 37 58.100 59.053 -0.953 1 1 319 . 3 1 1 A 37 37 SER CB C 37 65.400 64.329 1.071 1 1 320 . 3 1 1 A 37 37 SER N N 37 116.100 116.687 -0.587 1 1 321 . 3 1 1 A 38 38 ASP H H 38 8.920 9.039 -0.119 1 1 322 . 3 1 1 A 38 38 ASP HA H 38 4.290 4.272 0.018 1 1 324 . 3 1 1 A 38 38 ASP C C 38 179.200 178.532 0.668 1 1 325 . 3 1 1 A 38 38 ASP CA C 38 58.100 57.688 0.412 1 1 326 . 3 1 1 A 38 38 ASP CB C 38 40.100 40.213 -0.113 1 1 327 . 3 1 1 A 38 38 ASP N N 38 121.400 125.616 -4.216 1 1 328 . 3 1 1 A 39 39 SER H H 39 8.500 8.173 0.327 1 1 329 . 3 1 1 A 39 39 SER HA H 39 4.050 4.092 -0.042 1 1 331 . 3 1 1 A 39 39 SER C C 39 174.500 176.302 -1.802 1 1 332 . 3 1 1 A 39 39 SER CA C 39 61.500 61.779 -0.279 1 1 333 . 3 1 1 A 39 39 SER CB C 39 62.400 63.023 -0.623 1 1 334 . 3 1 1 A 39 39 SER N N 39 114.200 116.704 -2.504 1 1 335 . 3 1 1 A 40 40 ALA H H 40 6.970 7.981 -1.011 1 1 336 . 3 1 1 A 40 40 ALA HA H 40 2.380 3.217 -0.837 1 1 340 . 3 1 1 A 40 40 ALA C C 40 179.600 179.962 -0.362 1 1 341 . 3 1 1 A 40 40 ALA CA C 40 54.500 54.881 -0.381 1 1 342 . 3 1 1 A 40 40 ALA CB C 40 18.600 17.993 0.607 1 1 343 . 3 1 1 A 40 40 ALA N N 40 125.700 123.179 2.521 1 1 344 . 3 1 1 A 41 41 LYS H H 41 8.040 7.814 0.226 1 1 345 . 3 1 1 A 41 41 LYS HA H 41 3.830 3.865 -0.035 1 1 350 . 3 1 1 A 41 41 LYS C C 41 180.500 179.766 0.734 1 1 351 . 3 1 1 A 41 41 LYS CA C 41 60.000 59.470 0.530 1 1 352 . 3 1 1 A 41 41 LYS CB C 41 31.900 32.345 -0.445 1 1 353 . 3 1 1 A 41 41 LYS N N 41 115.800 117.193 -1.393 1 1 354 . 3 1 1 A 42 42 GLN H H 42 7.870 7.725 0.145 1 1 355 . 3 1 1 A 42 42 GLN HA H 42 3.780 4.037 -0.257 1 1 359 . 3 1 1 A 42 42 GLN C C 42 177.800 178.656 -0.856 1 1 360 . 3 1 1 A 42 42 GLN CA C 42 58.600 58.903 -0.303 1 1 361 . 3 1 1 A 42 42 GLN CB C 42 28.600 28.207 0.393 1 1 362 . 3 1 1 A 42 42 GLN N N 42 119.100 119.065 0.035 1 1 363 . 3 1 1 A 43 43 PHE H H 43 7.710 8.116 -0.406 1 1 364 . 3 1 1 A 43 43 PHE HA H 43 3.850 4.001 -0.151 1 1 367 . 3 1 1 A 43 43 PHE C C 43 176.200 177.201 -1.001 1 1 368 . 3 1 1 A 43 43 PHE CA C 43 61.300 60.931 0.369 1 1 369 . 3 1 1 A 43 43 PHE CB C 43 39.000 39.181 -0.181 1 1 370 . 3 1 1 A 43 43 PHE N N 43 120.000 121.117 -1.117 1 1 371 . 3 1 1 A 44 44 LEU H H 44 8.360 8.105 0.255 1 1 372 . 3 1 1 A 44 44 LEU HA H 44 3.580 3.696 -0.116 1 1 378 . 3 1 1 A 44 44 LEU C C 44 179.400 179.187 0.213 1 1 379 . 3 1 1 A 44 44 LEU CA C 44 57.400 57.833 -0.433 1 1 380 . 3 1 1 A 44 44 LEU CB C 44 40.900 41.733 -0.833 1 1 381 . 3 1 1 A 44 44 LEU N N 44 119.500 120.009 -0.509 1 1 382 . 3 1 1 A 45 45 GLN H H 45 7.660 8.326 -0.666 1 1 383 . 3 1 1 A 45 45 GLN HA H 45 3.900 4.036 -0.136 1 1 388 . 3 1 1 A 45 45 GLN C C 45 179.300 178.442 0.858 1 1 389 . 3 1 1 A 45 45 GLN CA C 45 58.700 58.662 0.038 1 1 390 . 3 1 1 A 45 45 GLN CB C 45 28.700 28.022 0.678 1 1 391 . 3 1 1 A 45 45 GLN N N 45 117.700 118.166 -0.466 1 1 392 . 3 1 1 A 46 46 ALA H H 46 7.630 7.709 -0.079 1 1 393 . 3 1 1 A 46 46 ALA HA H 46 3.740 4.008 -0.268 1 1 397 . 3 1 1 A 46 46 ALA C C 46 177.100 179.127 -2.027 1 1 398 . 3 1 1 A 46 46 ALA CA C 46 55.300 54.770 0.530 1 1 399 . 3 1 1 A 46 46 ALA CB C 46 17.500 18.410 -0.910 1 1 400 . 3 1 1 A 46 46 ALA N N 46 123.700 122.520 1.180 1 1 401 . 3 1 1 A 47 47 ALA H H 47 7.330 7.634 -0.304 1 1 402 . 3 1 1 A 47 47 ALA HA H 47 1.790 2.677 -0.887 1 1 406 . 3 1 1 A 47 47 ALA C C 47 178.600 179.349 -0.749 1 1 407 . 3 1 1 A 47 47 ALA CA C 47 53.200 54.455 -1.255 1 1 408 . 3 1 1 A 47 47 ALA CB C 47 17.700 18.036 -0.336 1 1 409 . 3 1 1 A 47 47 ALA N N 47 118.100 119.386 -1.286 1 1 410 . 3 1 1 A 48 48 GLU H H 48 7.020 7.666 -0.646 1 1 411 . 3 1 1 A 48 48 GLU HA H 48 3.840 3.910 -0.070 1 1 415 . 3 1 1 A 48 48 GLU C C 48 177.100 178.362 -1.262 1 1 416 . 3 1 1 A 48 48 GLU CA C 48 57.300 59.110 -1.810 1 1 417 . 3 1 1 A 48 48 GLU CB C 48 29.900 29.322 0.578 1 1 418 . 3 1 1 A 48 48 GLU N N 48 112.900 118.561 -5.661 1 1 419 . 3 1 1 A 49 49 ALA H H 49 7.250 7.674 -0.424 1 1 420 . 3 1 1 A 49 49 ALA HA H 49 4.250 4.074 0.176 1 1 424 . 3 1 1 A 49 49 ALA C C 49 176.900 177.583 -0.683 1 1 425 . 3 1 1 A 49 49 ALA CA C 49 52.600 54.267 -1.667 1 1 426 . 3 1 1 A 49 49 ALA CB C 49 20.100 18.535 1.565 1 1 427 . 3 1 1 A 49 49 ALA N N 49 119.800 121.079 -1.279 1 1 428 . 3 1 1 A 50 50 ILE H H 50 7.030 6.978 0.052 1 1 429 . 3 1 1 A 50 50 ILE HA H 50 4.370 4.437 -0.067 1 1 439 . 3 1 1 A 50 50 ILE C C 50 174.300 175.929 -1.629 1 1 440 . 3 1 1 A 50 50 ILE CA C 50 59.700 59.684 0.016 1 1 441 . 3 1 1 A 50 50 ILE CB C 50 39.400 39.715 -0.315 1 1 442 . 3 1 1 A 50 50 ILE N N 50 119.300 113.800 5.500 1 1 443 . 3 1 1 A 51 51 ASP H H 51 8.390 8.794 -0.404 1 1 444 . 3 1 1 A 51 51 ASP HA H 51 4.830 4.753 0.077 1 1 446 . 3 1 1 A 51 51 ASP C C 51 177.500 176.622 0.878 1 1 447 . 3 1 1 A 51 51 ASP CA C 51 54.300 54.720 -0.420 1 1 448 . 3 1 1 A 51 51 ASP CB C 51 42.200 41.165 1.035 1 1 449 . 3 1 1 A 51 51 ASP N N 51 123.200 125.007 -1.807 1 1 450 . 3 1 1 A 52 52 ASP H H 52 8.530 7.956 0.574 1 1 451 . 3 1 1 A 52 52 ASP HA H 52 4.570 4.484 0.086 1 1 454 . 3 1 1 A 52 52 ASP C C 52 175.000 176.360 -1.360 1 1 455 . 3 1 1 A 52 52 ASP CA C 52 54.600 57.278 -2.678 1 1 456 . 3 1 1 A 52 52 ASP CB C 52 40.200 41.237 -1.037 1 1 457 . 3 1 1 A 52 52 ASP N N 52 116.000 118.139 -2.139 1 1 458 . 3 1 1 A 53 53 ILE H H 53 7.150 7.786 -0.636 1 1 459 . 3 1 1 A 53 53 ILE HA H 53 4.570 4.681 -0.111 1 1 469 . 3 1 1 A 53 53 ILE CA C 53 57.700 57.482 0.218 1 1 470 . 3 1 1 A 53 53 ILE CB C 53 42.000 40.938 1.062 1 1 471 . 3 1 1 A 53 53 ILE N N 53 119.300 117.501 1.799 1 1 472 . 3 1 1 A 54 54 PRO C C 54 175.100 176.003 -0.903 1 1 473 . 3 1 1 A 54 54 PRO CA C 54 62.700 63.249 -0.549 1 1 474 . 3 1 1 A 54 54 PRO CB C 54 32.500 32.226 0.274 1 1 475 . 3 1 1 A 55 55 PHE H H 55 8.780 8.308 0.472 1 1 476 . 3 1 1 A 55 55 PHE HA H 55 5.840 5.478 0.362 1 1 479 . 3 1 1 A 55 55 PHE C C 55 176.900 175.461 1.439 1 1 480 . 3 1 1 A 55 55 PHE CA C 55 55.600 56.044 -0.444 1 1 481 . 3 1 1 A 55 55 PHE CB C 55 42.000 41.937 0.063 1 1 482 . 3 1 1 A 55 55 PHE N N 55 119.900 120.960 -1.060 1 1 483 . 3 1 1 A 56 56 GLY H H 56 9.510 9.109 0.401 1 1 484 . 3 1 1 A 56 56 GLY HA2 H 56 3.350 4.380 -1.030 1 1 485 . 3 1 1 A 56 56 GLY HA3 H 56 5.620 4.461 1.159 1 1 486 . 3 1 1 A 56 56 GLY C C 56 170.800 172.463 -1.663 1 1 487 . 3 1 1 A 56 56 GLY CA C 56 43.400 44.473 -1.073 1 1 488 . 3 1 1 A 56 56 GLY N N 56 109.000 108.239 0.761 1 1 489 . 3 1 1 A 57 57 ILE H H 57 8.930 8.442 0.488 1 1 490 . 3 1 1 A 57 57 ILE HA H 57 5.570 5.582 -0.012 1 1 499 . 3 1 1 A 57 57 ILE C C 57 172.000 173.949 -1.949 1 1 500 . 3 1 1 A 57 57 ILE CA C 57 58.400 58.837 -0.437 1 1 501 . 3 1 1 A 57 57 ILE CB C 57 42.900 42.608 0.292 1 1 502 . 3 1 1 A 57 57 ILE N N 57 120.800 118.039 2.761 1 1 503 . 3 1 1 A 58 58 THR H H 58 8.660 8.432 0.228 1 1 504 . 3 1 1 A 58 58 THR HA H 58 4.960 5.022 -0.062 1 1 509 . 3 1 1 A 58 58 THR C C 58 170.000 172.370 -2.370 1 1 510 . 3 1 1 A 58 58 THR CA C 58 60.100 59.810 0.290 1 1 511 . 3 1 1 A 58 58 THR CB C 58 72.100 70.935 1.165 1 1 512 . 3 1 1 A 58 58 THR N N 58 121.200 116.679 4.521 1 1 513 . 3 1 1 A 59 59 SER H H 59 8.710 8.501 0.209 1 1 514 . 3 1 1 A 59 59 SER HA H 59 5.200 4.839 0.361 1 1 517 . 3 1 1 A 59 59 SER C C 59 173.900 174.372 -0.472 1 1 518 . 3 1 1 A 59 59 SER CA C 59 56.700 57.280 -0.580 1 1 519 . 3 1 1 A 59 59 SER CB C 59 65.700 64.923 0.777 1 1 520 . 3 1 1 A 59 59 SER N N 59 119.900 119.622 0.278 1 1 521 . 3 1 1 A 60 60 ASN H H 60 8.030 7.325 0.705 1 1 522 . 3 1 1 A 60 60 ASN HA H 60 4.790 4.648 0.142 1 1 524 . 3 1 1 A 60 60 ASN CA C 60 53.200 53.776 -0.576 1 1 525 . 3 1 1 A 60 60 ASN CB C 60 39.500 40.443 -0.943 1 1 526 . 3 1 1 A 60 60 ASN N N 60 122.200 122.754 -0.554 1 1 528 . 3 1 1 A 61 61 SER C C 61 175.900 176.214 -0.314 1 1 529 . 3 1 1 A 61 61 SER CA C 61 62.500 61.901 0.599 1 1 530 . 3 1 1 A 61 61 SER CB C 61 62.500 62.540 -0.040 1 1 531 . 3 1 1 A 62 62 ASP H H 62 8.630 8.336 0.294 1 1 532 . 3 1 1 A 62 62 ASP HA H 62 4.530 4.435 0.095 1 1 535 . 3 1 1 A 62 62 ASP C C 62 179.000 179.006 -0.006 1 1 536 . 3 1 1 A 62 62 ASP CA C 62 57.400 57.423 -0.023 1 1 537 . 3 1 1 A 62 62 ASP CB C 62 40.000 40.595 -0.595 1 1 538 . 3 1 1 A 62 62 ASP N N 62 122.200 123.092 -0.892 1 1 539 . 3 1 1 A 63 63 VAL H H 63 8.030 7.805 0.225 1 1 540 . 3 1 1 A 63 63 VAL HA H 63 3.750 3.725 0.025 1 1 548 . 3 1 1 A 63 63 VAL C C 63 177.900 178.382 -0.482 1 1 549 . 3 1 1 A 63 63 VAL CA C 63 65.800 66.648 -0.848 1 1 550 . 3 1 1 A 63 63 VAL CB C 63 30.700 31.767 -1.067 1 1 551 . 3 1 1 A 63 63 VAL N N 63 122.400 120.275 2.125 1 1 552 . 3 1 1 A 64 64 PHE H H 64 7.980 7.998 -0.018 1 1 553 . 3 1 1 A 64 64 PHE HA H 64 4.200 4.451 -0.251 1 1 556 . 3 1 1 A 64 64 PHE C C 64 178.800 178.598 0.202 1 1 557 . 3 1 1 A 64 64 PHE CA C 64 61.700 60.481 1.219 1 1 558 . 3 1 1 A 64 64 PHE CB C 64 37.500 38.612 -1.112 1 1 559 . 3 1 1 A 64 64 PHE N N 64 120.100 119.630 0.470 1 1 560 . 3 1 1 A 65 65 SER H H 65 8.090 8.377 -0.287 1 1 561 . 3 1 1 A 65 65 SER HA H 65 4.210 4.365 -0.155 1 1 563 . 3 1 1 A 65 65 SER C C 65 177.800 177.339 0.461 1 1 564 . 3 1 1 A 65 65 SER CA C 65 61.600 61.825 -0.225 1 1 565 . 3 1 1 A 65 65 SER CB C 65 62.300 62.514 -0.214 1 1 566 . 3 1 1 A 65 65 SER N N 65 112.100 115.698 -3.598 1 1 567 . 3 1 1 A 66 66 LYS H H 66 7.650 7.791 -0.141 1 1 568 . 3 1 1 A 66 66 LYS HA H 66 3.870 4.064 -0.194 1 1 572 . 3 1 1 A 66 66 LYS C C 66 176.700 177.502 -0.802 1 1 573 . 3 1 1 A 66 66 LYS CA C 66 58.900 59.027 -0.127 1 1 574 . 3 1 1 A 66 66 LYS CB C 66 32.700 31.788 0.912 1 1 575 . 3 1 1 A 66 66 LYS N N 66 124.100 123.032 1.068 1 1 576 . 3 1 1 A 67 67 TYR H H 67 7.040 7.597 -0.557 1 1 577 . 3 1 1 A 67 67 TYR HA H 67 4.640 4.593 0.047 1 1 580 . 3 1 1 A 67 67 TYR C C 67 173.600 174.670 -1.070 1 1 581 . 3 1 1 A 67 67 TYR CA C 67 58.400 57.765 0.635 1 1 582 . 3 1 1 A 67 67 TYR CB C 67 37.700 38.987 -1.287 1 1 583 . 3 1 1 A 67 67 TYR N N 67 113.800 115.581 -1.781 1 1 584 . 3 1 1 A 68 68 GLN H H 68 7.850 7.879 -0.029 1 1 585 . 3 1 1 A 68 68 GLN HA H 68 3.830 3.859 -0.029 1 1 588 . 3 1 1 A 68 68 GLN C C 68 174.700 174.164 0.536 1 1 589 . 3 1 1 A 68 68 GLN CA C 68 57.400 56.969 0.431 1 1 590 . 3 1 1 A 68 68 GLN CB C 68 25.000 26.567 -1.567 1 1 591 . 3 1 1 A 68 68 GLN N N 68 113.700 117.000 -3.300 1 1 592 . 3 1 1 A 69 69 LEU H H 69 8.070 8.660 -0.590 1 1 593 . 3 1 1 A 69 69 LEU HA H 69 4.530 4.535 -0.005 1 1 602 . 3 1 1 A 69 69 LEU C C 69 176.800 175.567 1.233 1 1 603 . 3 1 1 A 69 69 LEU CA C 69 54.900 53.571 1.329 1 1 604 . 3 1 1 A 69 69 LEU CB C 69 43.200 43.371 -0.171 1 1 605 . 3 1 1 A 69 69 LEU N N 69 120.800 120.036 0.764 1 1 606 . 3 1 1 A 70 70 ASP H H 70 8.580 8.730 -0.150 1 1 607 . 3 1 1 A 70 70 ASP HA H 70 4.650 4.797 -0.147 1 1 610 . 3 1 1 A 70 70 ASP C C 70 174.800 175.141 -0.341 1 1 611 . 3 1 1 A 70 70 ASP CA C 70 53.200 54.034 -0.834 1 1 612 . 3 1 1 A 70 70 ASP CB C 70 41.600 41.546 0.054 1 1 613 . 3 1 1 A 70 70 ASP N N 70 120.400 124.381 -3.981 1 1 614 . 3 1 1 A 71 71 LYS H H 71 7.720 7.148 0.572 1 1 615 . 3 1 1 A 71 71 LYS HA H 71 4.550 4.506 0.044 1 1 619 . 3 1 1 A 71 71 LYS C C 71 173.100 175.511 -2.411 1 1 620 . 3 1 1 A 71 71 LYS CA C 71 54.300 54.269 0.031 1 1 621 . 3 1 1 A 71 71 LYS CB C 71 34.100 36.930 -2.830 1 1 622 . 3 1 1 A 71 71 LYS N N 71 117.300 117.046 0.254 1 1 623 . 3 1 1 A 72 72 ASP H H 72 7.780 8.565 -0.785 1 1 624 . 3 1 1 A 72 72 ASP HA H 72 4.650 4.586 0.064 1 1 627 . 3 1 1 A 72 72 ASP C C 72 177.600 175.589 2.011 1 1 628 . 3 1 1 A 72 72 ASP CA C 72 54.500 53.766 0.734 1 1 629 . 3 1 1 A 72 72 ASP CB C 72 41.500 41.667 -0.167 1 1 630 . 3 1 1 A 72 72 ASP N N 72 116.900 121.273 -4.373 1 1 631 . 3 1 1 A 73 73 GLY H H 73 8.660 8.512 0.148 1 1 632 . 3 1 1 A 73 73 GLY HA2 H 73 3.890 4.087 -0.197 1 1 633 . 3 1 1 A 73 73 GLY C C 73 169.700 172.318 -2.618 1 1 634 . 3 1 1 A 73 73 GLY CA C 73 45.500 44.953 0.547 1 1 635 . 3 1 1 A 73 73 GLY N N 73 107.400 106.632 0.768 1 1 636 . 3 1 1 A 74 74 VAL H H 74 8.490 8.220 0.270 1 1 637 . 3 1 1 A 74 74 VAL HA H 74 4.840 5.236 -0.396 1 1 642 . 3 1 1 A 74 74 VAL C C 74 173.500 175.038 -1.538 1 1 643 . 3 1 1 A 74 74 VAL CA C 74 61.300 60.878 0.422 1 1 644 . 3 1 1 A 74 74 VAL CB C 74 35.500 34.118 1.382 1 1 645 . 3 1 1 A 74 74 VAL N N 74 117.900 121.072 -3.172 1 1 646 . 3 1 1 A 75 75 VAL H H 75 8.930 9.951 -1.021 1 1 647 . 3 1 1 A 75 75 VAL HA H 75 4.580 5.340 -0.760 1 1 655 . 3 1 1 A 75 75 VAL C C 75 172.700 173.944 -1.244 1 1 656 . 3 1 1 A 75 75 VAL CA C 75 61.100 60.626 0.474 1 1 657 . 3 1 1 A 75 75 VAL CB C 75 35.600 36.117 -0.517 1 1 658 . 3 1 1 A 75 75 VAL N N 75 126.900 126.659 0.241 1 1 659 . 3 1 1 A 76 76 LEU H H 76 8.690 8.897 -0.207 1 1 660 . 3 1 1 A 76 76 LEU HA H 76 4.980 5.124 -0.144 1 1 666 . 3 1 1 A 76 76 LEU C C 76 173.400 174.588 -1.188 1 1 667 . 3 1 1 A 76 76 LEU CA C 76 54.200 53.711 0.489 1 1 668 . 3 1 1 A 76 76 LEU CB C 76 46.000 44.678 1.322 1 1 669 . 3 1 1 A 76 76 LEU N N 76 128.000 128.705 -0.705 1 1 670 . 3 1 1 A 77 77 PHE H H 77 9.600 9.313 0.287 1 1 671 . 3 1 1 A 77 77 PHE HA H 77 4.930 5.534 -0.604 1 1 674 . 3 1 1 A 77 77 PHE C C 77 173.800 174.858 -1.058 1 1 675 . 3 1 1 A 77 77 PHE CA C 77 56.800 56.620 0.180 1 1 676 . 3 1 1 A 77 77 PHE CB C 77 42.100 41.170 0.930 1 1 677 . 3 1 1 A 77 77 PHE N N 77 126.500 126.082 0.418 1 1 678 . 3 1 1 A 78 78 LYS H H 78 8.410 8.390 0.020 1 1 679 . 3 1 1 A 78 78 LYS HA H 78 5.410 4.832 0.578 1 1 684 . 3 1 1 A 78 78 LYS C C 78 176.600 176.778 -0.178 1 1 685 . 3 1 1 A 78 78 LYS CA C 78 53.500 54.483 -0.983 1 1 686 . 3 1 1 A 78 78 LYS CB C 78 34.600 35.753 -1.153 1 1 687 . 3 1 1 A 78 78 LYS N N 78 115.800 122.791 -6.991 1 1 688 . 3 1 1 A 79 79 LYS H H 79 8.010 8.432 -0.422 1 1 689 . 3 1 1 A 79 79 LYS HA H 79 4.370 4.025 0.345 1 1 693 . 3 1 1 A 79 79 LYS C C 79 175.000 176.523 -1.523 1 1 694 . 3 1 1 A 79 79 LYS CA C 79 56.000 58.337 -2.337 1 1 695 . 3 1 1 A 79 79 LYS CB C 79 31.900 32.697 -0.797 1 1 696 . 3 1 1 A 79 79 LYS N N 79 121.400 122.592 -1.192 1 1 697 . 3 1 1 A 80 80 PHE H H 80 6.620 7.462 -0.842 1 1 698 . 3 1 1 A 80 80 PHE HA H 80 4.880 5.028 -0.148 1 1 700 . 3 1 1 A 80 80 PHE C C 80 174.000 174.786 -0.786 1 1 701 . 3 1 1 A 80 80 PHE CA C 80 54.400 55.954 -1.554 1 1 702 . 3 1 1 A 80 80 PHE CB C 80 40.400 41.519 -1.119 1 1 703 . 3 1 1 A 80 80 PHE N N 80 113.500 114.926 -1.426 1 1 704 . 3 1 1 A 81 81 ASP H H 81 8.980 9.068 -0.088 1 1 705 . 3 1 1 A 81 81 ASP HA H 81 4.270 4.604 -0.334 1 1 708 . 3 1 1 A 81 81 ASP C C 81 176.600 176.789 -0.189 1 1 709 . 3 1 1 A 81 81 ASP CA C 81 56.000 56.030 -0.030 1 1 710 . 3 1 1 A 81 81 ASP CB C 81 40.200 40.615 -0.415 1 1 711 . 3 1 1 A 81 81 ASP N N 81 117.700 118.767 -1.067 1 1 712 . 3 1 1 A 82 82 GLU H H 82 10.320 8.978 1.342 1 1 713 . 3 1 1 A 82 82 GLU HA H 82 4.340 4.270 0.070 1 1 716 . 3 1 1 A 82 82 GLU C C 82 178.700 177.177 1.523 1 1 717 . 3 1 1 A 82 82 GLU CA C 82 58.200 56.535 1.665 1 1 718 . 3 1 1 A 82 82 GLU CB C 82 28.600 30.265 -1.665 1 1 719 . 3 1 1 A 82 82 GLU N N 82 123.900 125.142 -1.242 1 1 720 . 3 1 1 A 83 83 GLY H H 83 7.780 8.862 -1.082 1 1 721 . 3 1 1 A 83 83 GLY HA2 H 83 4.150 3.924 0.226 1 1 722 . 3 1 1 A 83 83 GLY HA3 H 83 4.290 3.946 0.344 1 1 723 . 3 1 1 A 83 83 GLY C C 83 174.400 173.296 1.104 1 1 724 . 3 1 1 A 83 83 GLY CA C 83 46.600 45.618 0.982 1 1 725 . 3 1 1 A 83 83 GLY N N 83 109.200 109.743 -0.543 1 1 726 . 3 1 1 A 84 84 ARG H H 84 7.200 7.822 -0.622 1 1 727 . 3 1 1 A 84 84 ARG HA H 84 5.210 5.660 -0.450 1 1 731 . 3 1 1 A 84 84 ARG C C 84 174.000 174.180 -0.180 1 1 732 . 3 1 1 A 84 84 ARG CA C 84 55.000 54.094 0.906 1 1 733 . 3 1 1 A 84 84 ARG CB C 84 32.500 33.323 -0.823 1 1 734 . 3 1 1 A 84 84 ARG N N 84 121.000 120.213 0.787 1 1 735 . 3 1 1 A 85 85 ASN H H 85 9.270 9.056 0.214 1 1 736 . 3 1 1 A 85 85 ASN HA H 85 5.000 5.413 -0.413 1 1 739 . 3 1 1 A 85 85 ASN C C 85 172.900 173.851 -0.951 1 1 740 . 3 1 1 A 85 85 ASN CA C 85 53.800 52.173 1.627 1 1 741 . 3 1 1 A 85 85 ASN CB C 85 43.600 40.189 3.411 1 1 742 . 3 1 1 A 85 85 ASN N N 85 121.600 123.379 -1.779 1 1 743 . 3 1 1 A 86 86 ASN H H 86 9.150 9.042 0.108 1 1 744 . 3 1 1 A 86 86 ASN HA H 86 5.000 5.436 -0.436 1 1 746 . 3 1 1 A 86 86 ASN C C 86 174.400 175.597 -1.197 1 1 747 . 3 1 1 A 86 86 ASN CA C 86 52.400 53.071 -0.671 1 1 748 . 3 1 1 A 86 86 ASN CB C 86 38.600 39.345 -0.745 1 1 749 . 3 1 1 A 86 86 ASN N N 86 123.200 124.129 -0.929 1 1 750 . 3 1 1 A 87 87 PHE H H 87 8.380 9.634 -1.254 1 1 751 . 3 1 1 A 87 87 PHE HA H 87 3.460 3.986 -0.526 1 1 754 . 3 1 1 A 87 87 PHE C C 87 174.600 176.633 -2.033 1 1 755 . 3 1 1 A 87 87 PHE CA C 87 59.000 59.217 -0.217 1 1 756 . 3 1 1 A 87 87 PHE CB C 87 39.000 39.525 -0.525 1 1 757 . 3 1 1 A 87 87 PHE N N 87 124.900 125.592 -0.692 1 1 758 . 3 1 1 A 88 88 GLU H H 88 7.450 8.836 -1.386 1 1 759 . 3 1 1 A 88 88 GLU HA H 88 4.270 3.941 0.329 1 1 763 . 3 1 1 A 88 88 GLU C C 88 173.900 177.275 -3.375 1 1 764 . 3 1 1 A 88 88 GLU CA C 88 54.800 59.585 -4.785 1 1 765 . 3 1 1 A 88 88 GLU CB C 88 31.700 30.003 1.697 1 1 766 . 3 1 1 A 88 88 GLU N N 88 128.600 125.099 3.501 1 1 767 . 3 1 1 A 89 89 GLY H H 89 7.050 7.503 -0.453 1 1 768 . 3 1 1 A 89 89 GLY HA2 H 89 3.700 3.940 -0.240 1 1 769 . 3 1 1 A 89 89 GLY HA3 H 89 3.840 3.956 -0.116 1 1 770 . 3 1 1 A 89 89 GLY C C 89 172.600 174.785 -2.185 1 1 771 . 3 1 1 A 89 89 GLY CA C 89 43.400 45.456 -2.056 1 1 772 . 3 1 1 A 89 89 GLY N N 89 108.600 107.026 1.574 1 1 773 . 3 1 1 A 90 90 GLU H H 90 8.450 7.934 0.516 1 1 774 . 3 1 1 A 90 90 GLU HA H 90 4.290 4.306 -0.016 1 1 778 . 3 1 1 A 90 90 GLU C C 90 177.400 175.964 1.436 1 1 779 . 3 1 1 A 90 90 GLU CA C 90 56.200 57.105 -0.905 1 1 780 . 3 1 1 A 90 90 GLU CB C 90 29.900 30.299 -0.399 1 1 781 . 3 1 1 A 90 90 GLU N N 90 120.400 121.281 -0.881 1 1 782 . 3 1 1 A 91 91 VAL H H 91 9.140 8.504 0.636 1 1 783 . 3 1 1 A 91 91 VAL HA H 91 3.730 4.354 -0.624 1 1 791 . 3 1 1 A 91 91 VAL C C 91 173.600 175.230 -1.630 1 1 792 . 3 1 1 A 91 91 VAL CA C 91 64.400 61.221 3.179 1 1 793 . 3 1 1 A 91 91 VAL CB C 91 29.800 32.767 -2.967 1 1 794 . 3 1 1 A 91 91 VAL N N 91 126.500 122.180 4.320 1 1 795 . 3 1 1 A 92 92 THR H H 92 7.210 8.601 -1.391 1 1 796 . 3 1 1 A 92 92 THR HA H 92 4.630 4.772 -0.142 1 1 801 . 3 1 1 A 92 92 THR C C 92 174.100 175.085 -0.985 1 1 802 . 3 1 1 A 92 92 THR CA C 92 58.000 61.300 -3.300 1 1 803 . 3 1 1 A 92 92 THR CB C 92 72.400 71.573 0.827 1 1 804 . 3 1 1 A 92 92 THR N N 92 117.900 121.059 -3.159 1 1 805 . 3 1 1 A 93 93 LYS H H 93 9.360 8.929 0.431 1 1 806 . 3 1 1 A 93 93 LYS HA H 93 3.680 4.091 -0.411 1 1 810 . 3 1 1 A 93 93 LYS C C 93 177.100 178.687 -1.587 1 1 811 . 3 1 1 A 93 93 LYS CA C 93 60.700 59.052 1.648 1 1 812 . 3 1 1 A 93 93 LYS CB C 93 32.100 31.980 0.120 1 1 813 . 3 1 1 A 93 93 LYS N N 93 124.100 124.883 -0.783 1 1 814 . 3 1 1 A 94 94 GLU H H 94 9.120 7.943 1.177 1 1 815 . 3 1 1 A 94 94 GLU HA H 94 3.900 4.092 -0.192 1 1 819 . 3 1 1 A 94 94 GLU C C 94 179.100 178.798 0.302 1 1 820 . 3 1 1 A 94 94 GLU CA C 94 60.700 58.981 1.719 1 1 821 . 3 1 1 A 94 94 GLU CB C 94 28.700 29.542 -0.842 1 1 822 . 3 1 1 A 94 94 GLU N N 94 116.600 119.347 -2.747 1 1 823 . 3 1 1 A 95 95 ASN H H 95 8.020 8.326 -0.306 1 1 824 . 3 1 1 A 95 95 ASN HA H 95 4.650 4.577 0.073 1 1 827 . 3 1 1 A 95 95 ASN C C 95 179.700 177.708 1.992 1 1 828 . 3 1 1 A 95 95 ASN CA C 95 55.300 56.435 -1.135 1 1 829 . 3 1 1 A 95 95 ASN CB C 95 37.500 40.070 -2.570 1 1 830 . 3 1 1 A 95 95 ASN N N 95 118.100 118.758 -0.658 1 1 831 . 3 1 1 A 96 96 LEU H H 96 8.550 8.287 0.263 1 1 832 . 3 1 1 A 96 96 LEU HA H 96 3.960 4.645 -0.685 1 1 842 . 3 1 1 A 96 96 LEU C C 96 178.400 179.239 -0.839 1 1 843 . 3 1 1 A 96 96 LEU CA C 96 57.500 58.362 -0.862 1 1 844 . 3 1 1 A 96 96 LEU CB C 96 42.200 41.560 0.640 1 1 845 . 3 1 1 A 96 96 LEU N N 96 121.600 120.041 1.559 1 1 846 . 3 1 1 A 97 97 LEU H H 97 8.500 8.183 0.317 1 1 847 . 3 1 1 A 97 97 LEU HA H 97 4.010 4.016 -0.006 1 1 853 . 3 1 1 A 97 97 LEU C C 97 179.200 179.266 -0.066 1 1 854 . 3 1 1 A 97 97 LEU CA C 97 58.900 58.068 0.832 1 1 855 . 3 1 1 A 97 97 LEU CB C 97 40.900 41.621 -0.721 1 1 856 . 3 1 1 A 97 97 LEU N N 97 120.100 120.117 -0.017 1 1 857 . 3 1 1 A 98 98 ASP H H 98 7.660 8.035 -0.375 1 1 858 . 3 1 1 A 98 98 ASP HA H 98 4.410 4.223 0.187 1 1 861 . 3 1 1 A 98 98 ASP C C 98 177.800 178.669 -0.869 1 1 862 . 3 1 1 A 98 98 ASP CA C 98 57.700 57.282 0.418 1 1 863 . 3 1 1 A 98 98 ASP CB C 98 41.100 40.853 0.247 1 1 864 . 3 1 1 A 98 98 ASP N N 98 118.700 119.571 -0.871 1 1 865 . 3 1 1 A 99 99 PHE H H 99 7.900 8.265 -0.365 1 1 866 . 3 1 1 A 99 99 PHE HA H 99 4.530 4.112 0.418 1 1 869 . 3 1 1 A 99 99 PHE C C 99 177.600 177.288 0.312 1 1 870 . 3 1 1 A 99 99 PHE CA C 99 60.400 61.356 -0.956 1 1 871 . 3 1 1 A 99 99 PHE CB C 99 39.800 39.065 0.735 1 1 872 . 3 1 1 A 99 99 PHE N N 99 120.800 121.796 -0.996 1 1 873 . 3 1 1 A 100 100 ILE H H 100 8.780 9.007 -0.227 1 1 874 . 3 1 1 A 100 100 ILE HA H 100 3.120 3.772 -0.652 1 1 883 . 3 1 1 A 100 100 ILE C C 100 177.400 178.629 -1.229 1 1 884 . 3 1 1 A 100 100 ILE CA C 100 65.500 65.199 0.301 1 1 885 . 3 1 1 A 100 100 ILE CB C 100 38.500 37.969 0.531 1 1 886 . 3 1 1 A 100 100 ILE N N 100 121.400 121.135 0.265 1 1 887 . 3 1 1 A 101 101 LYS H H 101 8.210 8.480 -0.270 1 1 888 . 3 1 1 A 101 101 LYS HA H 101 4.200 4.196 0.004 1 1 893 . 3 1 1 A 101 101 LYS C C 101 179.400 178.246 1.154 1 1 894 . 3 1 1 A 101 101 LYS CA C 101 59.300 59.039 0.261 1 1 895 . 3 1 1 A 101 101 LYS CB C 101 31.800 32.052 -0.252 1 1 896 . 3 1 1 A 101 101 LYS N N 101 117.900 120.637 -2.737 1 1 897 . 3 1 1 A 102 102 HIS H H 102 7.870 8.354 -0.484 1 1 898 . 3 1 1 A 102 102 HIS HA H 102 4.420 4.423 -0.003 1 1 900 . 3 1 1 A 102 102 HIS C C 102 175.900 176.237 -0.337 1 1 901 . 3 1 1 A 102 102 HIS CA C 102 58.400 59.672 -1.272 1 1 902 . 3 1 1 A 102 102 HIS CB C 102 30.100 30.056 0.044 1 1 903 . 3 1 1 A 102 102 HIS N N 102 113.900 118.075 -4.175 1 1 904 . 3 1 1 A 103 103 ASN H H 103 7.270 7.656 -0.386 1 1 905 . 3 1 1 A 103 103 ASN HA H 103 4.840 4.669 0.171 1 1 908 . 3 1 1 A 103 103 ASN C C 103 174.500 176.871 -2.371 1 1 909 . 3 1 1 A 103 103 ASN CA C 103 54.400 53.329 1.071 1 1 910 . 3 1 1 A 103 103 ASN CB C 103 41.100 39.271 1.829 1 1 911 . 3 1 1 A 103 103 ASN N N 103 113.900 114.603 -0.703 1 1 912 . 3 1 1 A 104 104 GLN H H 104 7.650 8.416 -0.766 1 1 913 . 3 1 1 A 104 104 GLN HA H 104 4.250 4.184 0.066 1 1 917 . 3 1 1 A 104 104 GLN C C 104 173.800 176.373 -2.573 1 1 918 . 3 1 1 A 104 104 GLN CA C 104 57.400 57.982 -0.582 1 1 919 . 3 1 1 A 104 104 GLN CB C 104 28.900 27.855 1.045 1 1 920 . 3 1 1 A 104 104 GLN N N 104 115.000 116.776 -1.776 1 1 921 . 3 1 1 A 105 105 LEU H H 105 7.500 7.446 0.054 1 1 922 . 3 1 1 A 105 105 LEU HA H 105 4.720 4.732 -0.012 1 1 927 . 3 1 1 A 105 105 LEU CA C 105 51.800 52.431 -0.631 1 1 928 . 3 1 1 A 105 105 LEU CB C 105 42.100 42.926 -0.826 1 1 929 . 3 1 1 A 105 105 LEU N N 105 119.700 117.133 2.567 1 1 930 . 3 1 1 A 106 106 PRO HA H 106 4.380 4.572 -0.192 1 1 931 . 3 1 1 A 106 106 PRO C C 106 175.600 177.291 -1.691 1 1 932 . 3 1 1 A 106 106 PRO CA C 106 61.700 62.210 -0.510 1 1 933 . 3 1 1 A 106 106 PRO CB C 106 31.800 32.495 -0.695 1 1 934 . 3 1 1 A 107 107 LEU H H 107 9.440 8.700 0.740 1 1 935 . 3 1 1 A 107 107 LEU HA H 107 3.980 4.112 -0.132 1 1 941 . 3 1 1 A 107 107 LEU C C 107 177.100 176.958 0.142 1 1 942 . 3 1 1 A 107 107 LEU CA C 107 57.800 57.631 0.169 1 1 943 . 3 1 1 A 107 107 LEU CB C 107 42.700 42.348 0.352 1 1 944 . 3 1 1 A 107 107 LEU N N 107 123.400 119.280 4.120 1 1 945 . 3 1 1 A 108 108 VAL H H 108 7.730 7.596 0.134 1 1 946 . 3 1 1 A 108 108 VAL HA H 108 5.010 5.386 -0.376 1 1 951 . 3 1 1 A 108 108 VAL C C 108 174.800 175.187 -0.387 1 1 952 . 3 1 1 A 108 108 VAL CA C 108 59.400 60.350 -0.950 1 1 953 . 3 1 1 A 108 108 VAL CB C 108 34.400 34.287 0.113 1 1 954 . 3 1 1 A 108 108 VAL N N 108 109.700 113.775 -4.075 1 1 955 . 3 1 1 A 109 109 ILE H H 109 8.700 8.811 -0.111 1 1 956 . 3 1 1 A 109 109 ILE HA H 109 4.210 4.876 -0.666 1 1 965 . 3 1 1 A 109 109 ILE C C 109 173.500 173.701 -0.201 1 1 966 . 3 1 1 A 109 109 ILE CA C 109 59.900 58.742 1.158 1 1 967 . 3 1 1 A 109 109 ILE CB C 109 41.600 41.875 -0.275 1 1 968 . 3 1 1 A 109 109 ILE N N 109 124.500 118.386 6.114 1 1 969 . 3 1 1 A 110 110 GLU H H 110 8.410 8.177 0.233 1 1 970 . 3 1 1 A 110 110 GLU HA H 110 3.430 3.946 -0.516 1 1 973 . 3 1 1 A 110 110 GLU C C 110 176.000 175.699 0.301 1 1 974 . 3 1 1 A 110 110 GLU CA C 110 54.700 55.514 -0.814 1 1 975 . 3 1 1 A 110 110 GLU CB C 110 29.800 30.130 -0.330 1 1 976 . 3 1 1 A 110 110 GLU N N 110 128.200 121.680 6.520 1 1 977 . 3 1 1 A 111 111 PHE H H 111 8.680 9.254 -0.574 1 1 978 . 3 1 1 A 111 111 PHE HA H 111 3.850 4.613 -0.763 1 1 981 . 3 1 1 A 111 111 PHE C C 111 173.600 174.574 -0.974 1 1 982 . 3 1 1 A 111 111 PHE CA C 111 59.500 58.948 0.552 1 1 983 . 3 1 1 A 111 111 PHE CB C 111 40.200 39.104 1.096 1 1 984 . 3 1 1 A 111 111 PHE N N 111 128.800 124.327 4.473 1 1 985 . 3 1 1 A 112 112 THR H H 112 7.310 8.251 -0.941 1 1 986 . 3 1 1 A 112 112 THR HA H 112 4.500 4.845 -0.345 1 1 991 . 3 1 1 A 112 112 THR C C 112 173.700 173.955 -0.255 1 1 992 . 3 1 1 A 112 112 THR CA C 112 59.200 60.316 -1.116 1 1 993 . 3 1 1 A 112 112 THR CB C 112 73.500 70.273 3.227 1 1 994 . 3 1 1 A 112 112 THR N N 112 119.800 119.725 0.075 1 1 995 . 3 1 1 A 113 113 GLU H H 113 8.930 8.965 -0.035 1 1 996 . 3 1 1 A 113 113 GLU HA H 113 3.890 3.933 -0.043 1 1 1000 . 3 1 1 A 113 113 GLU C C 113 178.100 178.422 -0.322 1 1 1001 . 3 1 1 A 113 113 GLU CA C 113 59.100 59.247 -0.147 1 1 1002 . 3 1 1 A 113 113 GLU CB C 113 29.200 28.837 0.363 1 1 1003 . 3 1 1 A 113 113 GLU N N 113 120.100 123.926 -3.826 1 1 1004 . 3 1 1 A 114 114 GLN H H 114 7.940 7.727 0.213 1 1 1005 . 3 1 1 A 114 114 GLN HA H 114 4.130 3.998 0.132 1 1 1008 . 3 1 1 A 114 114 GLN C C 114 177.800 178.763 -0.963 1 1 1009 . 3 1 1 A 114 114 GLN CA C 114 58.200 58.607 -0.407 1 1 1010 . 3 1 1 A 114 114 GLN CB C 114 28.600 28.342 0.258 1 1 1011 . 3 1 1 A 114 114 GLN N N 114 114.800 119.193 -4.393 1 1 1012 . 3 1 1 A 115 115 THR H H 115 7.500 7.709 -0.209 1 1 1013 . 3 1 1 A 115 115 THR HA H 115 4.180 3.702 0.478 1 1 1018 . 3 1 1 A 115 115 THR C C 115 175.800 176.078 -0.278 1 1 1019 . 3 1 1 A 115 115 THR CA C 115 61.900 66.321 -4.421 1 1 1020 . 3 1 1 A 115 115 THR CB C 115 69.400 68.307 1.093 1 1 1021 . 3 1 1 A 115 115 THR N N 115 109.000 117.648 -8.648 1 1 1022 . 3 1 1 A 116 116 ALA H H 116 7.770 7.653 0.117 1 1 1023 . 3 1 1 A 116 116 ALA HA H 116 3.840 3.652 0.188 1 1 1027 . 3 1 1 A 116 116 ALA CA C 116 56.800 56.691 0.109 1 1 1028 . 3 1 1 A 116 116 ALA CB C 116 16.100 16.566 -0.466 1 1 1029 . 3 1 1 A 116 116 ALA N N 116 125.500 122.754 2.746 1 1 1030 . 3 1 1 A 117 117 PRO HA H 117 4.370 3.716 0.654 1 1 1031 . 3 1 1 A 117 117 PRO C C 117 179.500 178.934 0.566 1 1 1032 . 3 1 1 A 117 117 PRO CA C 117 65.800 65.486 0.314 1 1 1033 . 3 1 1 A 117 117 PRO CB C 117 30.800 30.427 0.373 1 1 1034 . 3 1 1 A 118 118 LYS H H 118 7.260 7.868 -0.608 1 1 1035 . 3 1 1 A 118 118 LYS HA H 118 4.140 4.010 0.130 1 1 1039 . 3 1 1 A 118 118 LYS C C 118 178.300 179.364 -1.064 1 1 1040 . 3 1 1 A 118 118 LYS CA C 118 57.500 58.781 -1.281 1 1 1041 . 3 1 1 A 118 118 LYS CB C 118 32.200 31.684 0.516 1 1 1042 . 3 1 1 A 118 118 LYS N N 118 115.800 117.678 -1.878 1 1 1043 . 3 1 1 A 119 119 ILE H H 119 7.690 7.332 0.358 1 1 1044 . 3 1 1 A 119 119 ILE HA H 119 3.440 3.761 -0.321 1 1 1053 . 3 1 1 A 119 119 ILE C C 119 177.500 178.414 -0.914 1 1 1054 . 3 1 1 A 119 119 ILE CA C 119 64.400 64.186 0.214 1 1 1055 . 3 1 1 A 119 119 ILE CB C 119 38.700 37.559 1.141 1 1 1056 . 3 1 1 A 119 119 ILE N N 119 119.300 120.410 -1.110 1 1 1057 . 3 1 1 A 120 120 PHE H H 120 8.040 7.990 0.050 1 1 1058 . 3 1 1 A 120 120 PHE HA H 120 4.310 4.233 0.077 1 1 1061 . 3 1 1 A 120 120 PHE C C 120 176.800 177.876 -1.076 1 1 1062 . 3 1 1 A 120 120 PHE CA C 120 58.900 59.868 -0.968 1 1 1063 . 3 1 1 A 120 120 PHE CB C 120 38.400 37.629 0.771 1 1 1064 . 3 1 1 A 120 120 PHE N N 120 115.800 119.351 -3.551 1 1 1065 . 3 1 1 A 121 121 GLY H H 121 7.660 7.736 -0.076 1 1 1066 . 3 1 1 A 121 121 GLY HA2 H 121 3.830 4.120 -0.290 1 1 1067 . 3 1 1 A 121 121 GLY HA3 H 121 4.350 4.135 0.215 1 1 1068 . 3 1 1 A 121 121 GLY C C 121 174.700 175.145 -0.445 1 1 1069 . 3 1 1 A 121 121 GLY CA C 121 45.300 44.697 0.603 1 1 1070 . 3 1 1 A 121 121 GLY N N 121 106.800 108.664 -1.864 1 1 1071 . 3 1 1 A 122 122 GLY H H 122 7.620 8.653 -1.033 1 1 1072 . 3 1 1 A 122 122 GLY HA2 H 122 4.000 4.047 -0.047 1 1 1073 . 3 1 1 A 122 122 GLY HA3 H 122 4.320 4.157 0.163 1 1 1074 . 3 1 1 A 122 122 GLY C C 122 173.800 174.688 -0.888 1 1 1075 . 3 1 1 A 122 122 GLY CA C 122 44.800 45.684 -0.884 1 1 1076 . 3 1 1 A 122 122 GLY N N 122 108.400 108.891 -0.491 1 1 1077 . 3 1 1 A 123 123 GLU H H 123 8.490 9.013 -0.523 1 1 1078 . 3 1 1 A 123 123 GLU HA H 123 4.160 4.021 0.139 1 1 1082 . 3 1 1 A 123 123 GLU C C 123 177.700 176.298 1.402 1 1 1083 . 3 1 1 A 123 123 GLU CA C 123 57.900 57.602 0.298 1 1 1084 . 3 1 1 A 123 123 GLU CB C 123 30.400 28.215 2.185 1 1 1085 . 3 1 1 A 123 123 GLU N N 123 117.700 116.944 0.756 1 1 1086 . 3 1 1 A 124 124 ILE H H 124 7.890 8.630 -0.740 1 1 1087 . 3 1 1 A 124 124 ILE HA H 124 4.090 3.944 0.146 1 1 1096 . 3 1 1 A 124 124 ILE C C 124 176.700 174.836 1.864 1 1 1097 . 3 1 1 A 124 124 ILE CA C 124 62.000 62.078 -0.078 1 1 1098 . 3 1 1 A 124 124 ILE CB C 124 37.500 35.596 1.904 1 1 1099 . 3 1 1 A 124 124 ILE N N 124 119.900 116.415 3.485 1 1 1100 . 3 1 1 A 125 125 LYS H H 125 8.600 8.088 0.512 1 1 1101 . 3 1 1 A 125 125 LYS HA H 125 4.590 4.999 -0.409 1 1 1104 . 3 1 1 A 125 125 LYS C C 125 174.400 174.977 -0.577 1 1 1105 . 3 1 1 A 125 125 LYS CA C 125 55.600 54.513 1.087 1 1 1106 . 3 1 1 A 125 125 LYS CB C 125 33.000 37.015 -4.015 1 1 1107 . 3 1 1 A 125 125 LYS N N 125 125.500 124.775 0.725 1 1 1108 . 3 1 1 A 126 126 THR H H 126 6.860 8.800 -1.940 1 1 1109 . 3 1 1 A 126 126 THR HA H 126 4.940 5.312 -0.372 1 1 1114 . 3 1 1 A 126 126 THR C C 126 172.000 173.839 -1.839 1 1 1115 . 3 1 1 A 126 126 THR CA C 126 62.100 60.916 1.184 1 1 1116 . 3 1 1 A 126 126 THR CB C 126 69.700 70.197 -0.497 1 1 1117 . 3 1 1 A 126 126 THR N N 126 116.200 112.715 3.485 1 1 1118 . 3 1 1 A 127 127 HIS H H 127 8.870 8.805 0.065 1 1 1119 . 3 1 1 A 127 127 HIS HA H 127 5.470 5.078 0.392 1 1 1121 . 3 1 1 A 127 127 HIS C C 127 173.600 173.799 -0.199 1 1 1122 . 3 1 1 A 127 127 HIS CA C 127 53.700 54.285 -0.585 1 1 1123 . 3 1 1 A 127 127 HIS CB C 127 35.300 34.063 1.237 1 1 1124 . 3 1 1 A 127 127 HIS N N 127 125.900 121.376 4.524 1 1 1125 . 3 1 1 A 128 128 ILE H H 128 9.200 9.034 0.166 1 1 1126 . 3 1 1 A 128 128 ILE HA H 128 4.890 4.849 0.041 1 1 1134 . 3 1 1 A 128 128 ILE C C 128 171.100 173.874 -2.774 1 1 1135 . 3 1 1 A 128 128 ILE CA C 128 58.900 58.994 -0.094 1 1 1136 . 3 1 1 A 128 128 ILE CB C 128 40.200 41.781 -1.581 1 1 1137 . 3 1 1 A 128 128 ILE N N 128 122.600 116.097 6.503 1 1 1138 . 3 1 1 A 129 129 LEU H H 129 9.070 9.292 -0.222 1 1 1139 . 3 1 1 A 129 129 LEU HA H 129 5.040 5.343 -0.303 1 1 1148 . 3 1 1 A 129 129 LEU C C 129 174.300 174.552 -0.252 1 1 1149 . 3 1 1 A 129 129 LEU CA C 129 53.400 53.471 -0.071 1 1 1150 . 3 1 1 A 129 129 LEU CB C 129 43.600 45.228 -1.628 1 1 1151 . 3 1 1 A 129 129 LEU N N 129 128.800 125.867 2.933 1 1 1152 . 3 1 1 A 130 130 LEU H H 130 8.680 9.556 -0.876 1 1 1153 . 3 1 1 A 130 130 LEU HA H 130 4.640 5.270 -0.630 1 1 1162 . 3 1 1 A 130 130 LEU C C 130 174.400 174.947 -0.547 1 1 1163 . 3 1 1 A 130 130 LEU CA C 130 52.700 53.176 -0.476 1 1 1164 . 3 1 1 A 130 130 LEU CB C 130 41.600 44.860 -3.260 1 1 1165 . 3 1 1 A 130 130 LEU N N 130 123.200 128.802 -5.602 1 1 1166 . 3 1 1 A 131 131 PHE H H 131 9.100 9.215 -0.115 1 1 1167 . 3 1 1 A 131 131 PHE HA H 131 4.630 4.846 -0.216 1 1 1170 . 3 1 1 A 131 131 PHE C C 131 173.600 174.098 -0.498 1 1 1171 . 3 1 1 A 131 131 PHE CA C 131 56.800 56.252 0.548 1 1 1172 . 3 1 1 A 131 131 PHE CB C 131 39.200 40.149 -0.949 1 1 1173 . 3 1 1 A 131 131 PHE N N 131 127.500 128.488 -0.988 1 1 1174 . 3 1 1 A 132 132 LEU H H 132 9.000 8.479 0.521 1 1 1175 . 3 1 1 A 132 132 LEU HA H 132 5.020 4.690 0.330 1 1 1183 . 3 1 1 A 132 132 LEU CA C 132 50.700 51.177 -0.477 1 1 1184 . 3 1 1 A 132 132 LEU CB C 132 44.400 44.679 -0.279 1 1 1185 . 3 1 1 A 132 132 LEU N N 132 127.100 128.908 -1.808 1 1 1186 . 3 1 1 A 133 133 PRO HA H 133 4.770 4.194 0.576 1 1 1187 . 3 1 1 A 133 133 PRO C C 133 179.100 179.123 -0.023 1 1 1188 . 3 1 1 A 133 133 PRO CA C 133 62.300 66.019 -3.719 1 1 1189 . 3 1 1 A 133 133 PRO CB C 133 31.600 31.299 0.301 1 1 1190 . 3 1 1 A 134 134 LYS H H 134 8.300 7.951 0.349 1 1 1191 . 3 1 1 A 134 134 LYS HA H 134 4.070 4.005 0.065 1 1 1195 . 3 1 1 A 134 134 LYS C C 134 176.700 176.749 -0.049 1 1 1196 . 3 1 1 A 134 134 LYS CA C 134 58.900 59.293 -0.393 1 1 1197 . 3 1 1 A 134 134 LYS CB C 134 32.000 32.554 -0.554 1 1 1198 . 3 1 1 A 134 134 LYS N N 134 123.900 117.768 6.132 1 1 1199 . 3 1 1 A 135 135 SER H H 135 7.610 8.010 -0.400 1 1 1200 . 3 1 1 A 135 135 SER HA H 135 4.250 4.080 0.170 1 1 1202 . 3 1 1 A 135 135 SER C C 135 175.200 173.011 2.189 1 1 1203 . 3 1 1 A 135 135 SER CA C 135 58.200 59.310 -1.110 1 1 1204 . 3 1 1 A 135 135 SER CB C 135 63.300 61.145 2.155 1 1 1205 . 3 1 1 A 135 135 SER N N 135 108.200 112.326 -4.126 1 1 1206 . 3 1 1 A 136 136 VAL H H 136 7.500 7.472 0.028 1 1 1207 . 3 1 1 A 136 136 VAL HA H 136 4.210 4.549 -0.339 1 1 1215 . 3 1 1 A 136 136 VAL C C 136 175.100 175.409 -0.309 1 1 1216 . 3 1 1 A 136 136 VAL CA C 136 61.900 60.255 1.645 1 1 1217 . 3 1 1 A 136 136 VAL CB C 136 32.600 34.189 -1.589 1 1 1218 . 3 1 1 A 136 136 VAL N N 136 122.800 115.340 7.460 1 1 1219 . 3 1 1 A 137 137 SER H H 137 8.450 9.040 -0.590 1 1 1220 . 3 1 1 A 137 137 SER HA H 137 4.300 4.707 -0.407 1 1 1222 . 3 1 1 A 137 137 SER C C 137 175.200 175.098 0.102 1 1 1223 . 3 1 1 A 137 137 SER CA C 137 59.700 60.033 -0.333 1 1 1224 . 3 1 1 A 137 137 SER CB C 137 63.000 62.943 0.057 1 1 1225 . 3 1 1 A 137 137 SER N N 137 120.800 117.862 2.938 1 1 1226 . 3 1 1 A 138 138 ASP H H 138 8.980 8.343 0.637 1 1 1227 . 3 1 1 A 138 138 ASP HA H 138 4.630 4.672 -0.042 1 1 1230 . 3 1 1 A 138 138 ASP C C 138 174.800 176.412 -1.612 1 1 1231 . 3 1 1 A 138 138 ASP CA C 138 54.000 54.048 -0.048 1 1 1232 . 3 1 1 A 138 138 ASP CB C 138 39.300 41.382 -2.082 1 1 1233 . 3 1 1 A 138 138 ASP N N 138 122.400 120.296 2.104 1 1 1234 . 3 1 1 A 139 139 TYR H H 139 7.620 8.333 -0.713 1 1 1235 . 3 1 1 A 139 139 TYR HA H 139 3.530 4.080 -0.550 1 1 1238 . 3 1 1 A 139 139 TYR C C 139 176.400 177.067 -0.667 1 1 1239 . 3 1 1 A 139 139 TYR CA C 139 62.800 61.002 1.798 1 1 1240 . 3 1 1 A 139 139 TYR CB C 139 39.100 37.229 1.871 1 1 1241 . 3 1 1 A 139 139 TYR N N 139 120.500 119.738 0.762 1 1 1242 . 3 1 1 A 140 140 ASP H H 140 8.690 6.995 1.695 1 1 1243 . 3 1 1 A 140 140 ASP HA H 140 4.210 4.074 0.136 1 1 1245 . 3 1 1 A 140 140 ASP C C 140 179.300 178.701 0.599 1 1 1246 . 3 1 1 A 140 140 ASP CA C 140 57.200 56.794 0.406 1 1 1247 . 3 1 1 A 140 140 ASP CB C 140 40.400 40.398 0.002 1 1 1248 . 3 1 1 A 140 140 ASP N N 140 115.200 121.941 -6.741 1 1 1249 . 3 1 1 A 141 141 GLY H H 141 7.800 8.021 -0.221 1 1 1250 . 3 1 1 A 141 141 GLY HA2 H 141 3.800 3.668 0.132 1 1 1251 . 3 1 1 A 141 141 GLY HA3 H 141 4.070 3.674 0.396 1 1 1252 . 3 1 1 A 141 141 GLY C C 141 176.800 175.525 1.275 1 1 1253 . 3 1 1 A 141 141 GLY CA C 141 47.000 47.341 -0.341 1 1 1254 . 3 1 1 A 141 141 GLY N N 141 110.300 107.854 2.446 1 1 1255 . 3 1 1 A 142 142 LYS H H 142 8.010 8.727 -0.717 1 1 1256 . 3 1 1 A 142 142 LYS HA H 142 4.030 4.020 0.010 1 1 1259 . 3 1 1 A 142 142 LYS C C 142 179.000 178.490 0.510 1 1 1260 . 3 1 1 A 142 142 LYS CA C 142 59.700 59.157 0.543 1 1 1261 . 3 1 1 A 142 142 LYS CB C 142 33.000 32.059 0.941 1 1 1262 . 3 1 1 A 142 142 LYS N N 142 123.200 121.781 1.419 1 1 1263 . 3 1 1 A 143 143 LEU H H 143 8.090 8.270 -0.180 1 1 1264 . 3 1 1 A 143 143 LEU HA H 143 3.760 3.971 -0.211 1 1 1273 . 3 1 1 A 143 143 LEU C C 143 179.000 178.693 0.307 1 1 1274 . 3 1 1 A 143 143 LEU CA C 143 57.500 58.163 -0.663 1 1 1275 . 3 1 1 A 143 143 LEU CB C 143 40.600 41.270 -0.670 1 1 1276 . 3 1 1 A 143 143 LEU N N 143 120.000 121.556 -1.556 1 1 1277 . 3 1 1 A 144 144 SER H H 144 8.350 7.938 0.412 1 1 1278 . 3 1 1 A 144 144 SER HA H 144 4.120 4.009 0.111 1 1 1280 . 3 1 1 A 144 144 SER C C 144 177.300 176.991 0.309 1 1 1281 . 3 1 1 A 144 144 SER CA C 144 61.900 61.950 -0.050 1 1 1282 . 3 1 1 A 144 144 SER CB C 144 62.300 62.810 -0.510 1 1 1283 . 3 1 1 A 144 144 SER N N 144 114.600 116.238 -1.638 1 1 1284 . 3 1 1 A 145 145 ASN H H 145 7.980 7.993 -0.013 1 1 1285 . 3 1 1 A 145 145 ASN HA H 145 4.460 4.450 0.010 1 1 1288 . 3 1 1 A 145 145 ASN C C 145 176.300 178.334 -2.034 1 1 1289 . 3 1 1 A 145 145 ASN CA C 145 56.600 56.390 0.210 1 1 1290 . 3 1 1 A 145 145 ASN CB C 145 38.600 38.364 0.236 1 1 1291 . 3 1 1 A 145 145 ASN N N 145 121.600 120.816 0.784 1 1 1292 . 3 1 1 A 146 146 PHE H H 146 7.710 9.007 -1.297 1 1 1293 . 3 1 1 A 146 146 PHE HA H 146 4.370 4.130 0.240 1 1 1296 . 3 1 1 A 146 146 PHE C C 146 176.200 178.004 -1.804 1 1 1297 . 3 1 1 A 146 146 PHE CA C 146 61.500 61.205 0.295 1 1 1298 . 3 1 1 A 146 146 PHE CB C 146 40.500 38.922 1.578 1 1 1299 . 3 1 1 A 146 146 PHE N N 146 121.800 118.922 2.878 1 1 1300 . 3 1 1 A 147 147 LYS H H 147 8.510 8.351 0.159 1 1 1301 . 3 1 1 A 147 147 LYS HA H 147 3.620 4.011 -0.391 1 1 1305 . 3 1 1 A 147 147 LYS C C 147 178.200 178.473 -0.273 1 1 1306 . 3 1 1 A 147 147 LYS CA C 147 59.600 59.726 -0.126 1 1 1307 . 3 1 1 A 147 147 LYS CB C 147 32.400 32.495 -0.095 1 1 1308 . 3 1 1 A 147 147 LYS N N 147 117.700 118.953 -1.253 1 1 1309 . 3 1 1 A 148 148 THR H H 148 8.280 8.007 0.273 1 1 1310 . 3 1 1 A 148 148 THR HA H 148 3.870 4.068 -0.198 1 1 1315 . 3 1 1 A 148 148 THR C C 148 177.200 177.140 0.060 1 1 1316 . 3 1 1 A 148 148 THR CA C 148 66.600 65.052 1.548 1 1 1317 . 3 1 1 A 148 148 THR CB C 148 68.200 68.109 0.091 1 1 1318 . 3 1 1 A 148 148 THR N N 148 116.200 113.627 2.573 1 1 1319 . 3 1 1 A 149 149 ALA H H 149 7.570 8.182 -0.612 1 1 1320 . 3 1 1 A 149 149 ALA HA H 149 4.030 3.941 0.089 1 1 1324 . 3 1 1 A 149 149 ALA C C 149 177.700 179.170 -1.470 1 1 1325 . 3 1 1 A 149 149 ALA CA C 149 54.900 55.306 -0.406 1 1 1326 . 3 1 1 A 149 149 ALA CB C 149 18.700 17.904 0.796 1 1 1327 . 3 1 1 A 149 149 ALA N N 149 124.000 123.971 0.029 1 1 1328 . 3 1 1 A 150 150 ALA H H 150 7.360 8.540 -1.180 1 1 1329 . 3 1 1 A 150 150 ALA HA H 150 1.860 4.085 -2.225 1 1 1333 . 3 1 1 A 150 150 ALA C C 150 180.600 179.910 0.690 1 1 1334 . 3 1 1 A 150 150 ALA CA C 150 53.900 55.370 -1.470 1 1 1335 . 3 1 1 A 150 150 ALA CB C 150 19.500 18.182 1.318 1 1 1336 . 3 1 1 A 150 150 ALA N N 150 119.700 120.376 -0.676 1 1 1337 . 3 1 1 A 151 151 GLU H H 151 7.050 8.438 -1.388 1 1 1338 . 3 1 1 A 151 151 GLU HA H 151 3.680 4.053 -0.373 1 1 1342 . 3 1 1 A 151 151 GLU C C 151 178.500 178.974 -0.474 1 1 1343 . 3 1 1 A 151 151 GLU CA C 151 59.000 59.209 -0.209 1 1 1344 . 3 1 1 A 151 151 GLU CB C 151 30.000 29.235 0.765 1 1 1345 . 3 1 1 A 151 151 GLU N N 151 114.200 118.443 -4.243 1 1 1346 . 3 1 1 A 152 152 SER H H 152 7.510 7.984 -0.474 1 1 1347 . 3 1 1 A 152 152 SER HA H 152 4.160 4.033 0.127 1 1 1350 . 3 1 1 A 152 152 SER C C 152 173.400 175.368 -1.968 1 1 1351 . 3 1 1 A 152 152 SER CA C 152 60.600 62.456 -1.856 1 1 1352 . 3 1 1 A 152 152 SER CB C 152 63.500 63.045 0.455 1 1 1353 . 3 1 1 A 152 152 SER N N 152 111.900 117.014 -5.114 1 1 1354 . 3 1 1 A 153 153 PHE H H 153 7.240 7.885 -0.645 1 1 1355 . 3 1 1 A 153 153 PHE HA H 153 4.750 4.862 -0.112 1 1 1358 . 3 1 1 A 153 153 PHE C C 153 174.600 174.971 -0.371 1 1 1359 . 3 1 1 A 153 153 PHE CA C 153 57.200 56.760 0.440 1 1 1360 . 3 1 1 A 153 153 PHE CB C 153 41.300 38.779 2.521 1 1 1361 . 3 1 1 A 153 153 PHE N N 153 115.800 115.932 -0.132 1 1 1362 . 3 1 1 A 154 154 LYS H H 154 7.320 7.152 0.168 1 1 1363 . 3 1 1 A 154 154 LYS HA H 154 4.380 4.344 0.036 1 1 1368 . 3 1 1 A 154 154 LYS C C 154 178.200 176.957 1.243 1 1 1369 . 3 1 1 A 154 154 LYS CA C 154 58.500 56.483 2.017 1 1 1370 . 3 1 1 A 154 154 LYS CB C 154 31.900 32.507 -0.607 1 1 1371 . 3 1 1 A 154 154 LYS N N 154 124.000 118.144 5.856 1 1 1372 . 3 1 1 A 155 155 GLY H H 155 9.720 9.044 0.676 1 1 1373 . 3 1 1 A 155 155 GLY HA2 H 155 3.620 3.948 -0.328 1 1 1374 . 3 1 1 A 155 155 GLY HA3 H 155 4.290 3.985 0.305 1 1 1375 . 3 1 1 A 155 155 GLY C C 155 173.200 174.225 -1.025 1 1 1376 . 3 1 1 A 155 155 GLY CA C 155 45.500 45.812 -0.312 1 1 1377 . 3 1 1 A 155 155 GLY N N 155 115.400 111.882 3.518 1 1 1378 . 3 1 1 A 156 156 LYS H H 156 8.400 7.536 0.864 1 1 1379 . 3 1 1 A 156 156 LYS HA H 156 4.630 4.558 0.072 1 1 1383 . 3 1 1 A 156 156 LYS C C 156 175.000 175.746 -0.746 1 1 1384 . 3 1 1 A 156 156 LYS CA C 156 57.100 56.865 0.235 1 1 1385 . 3 1 1 A 156 156 LYS CB C 156 35.800 35.089 0.711 1 1 1386 . 3 1 1 A 156 156 LYS N N 156 118.700 119.789 -1.089 1 1 1387 . 3 1 1 A 157 157 ILE H H 157 7.890 7.429 0.461 1 1 1388 . 3 1 1 A 157 157 ILE HA H 157 4.330 4.326 0.004 1 1 1396 . 3 1 1 A 157 157 ILE C C 157 175.000 172.312 2.688 1 1 1397 . 3 1 1 A 157 157 ILE CA C 157 60.400 59.538 0.862 1 1 1398 . 3 1 1 A 157 157 ILE CB C 157 43.600 41.312 2.288 1 1 1399 . 3 1 1 A 157 157 ILE N N 157 116.600 118.318 -1.718 1 1 1400 . 3 1 1 A 158 158 LEU H H 158 8.300 8.134 0.166 1 1 1401 . 3 1 1 A 158 158 LEU HA H 158 4.840 4.760 0.080 1 1 1410 . 3 1 1 A 158 158 LEU C C 158 175.000 174.475 0.525 1 1 1411 . 3 1 1 A 158 158 LEU CA C 158 54.500 52.590 1.910 1 1 1412 . 3 1 1 A 158 158 LEU CB C 158 43.300 44.035 -0.735 1 1 1413 . 3 1 1 A 158 158 LEU N N 158 129.800 129.253 0.547 1 1 1414 . 3 1 1 A 159 159 PHE H H 159 9.310 9.043 0.267 1 1 1415 . 3 1 1 A 159 159 PHE HA H 159 4.890 5.043 -0.153 1 1 1418 . 3 1 1 A 159 159 PHE C C 159 178.500 175.314 3.186 1 1 1419 . 3 1 1 A 159 159 PHE CA C 159 56.600 57.224 -0.624 1 1 1420 . 3 1 1 A 159 159 PHE CB C 159 39.100 40.577 -1.477 1 1 1421 . 3 1 1 A 159 159 PHE N N 159 130.000 127.807 2.193 1 1 1422 . 3 1 1 A 160 160 ILE H H 160 9.130 9.778 -0.648 1 1 1423 . 3 1 1 A 160 160 ILE HA H 160 5.470 5.143 0.327 1 1 1431 . 3 1 1 A 160 160 ILE C C 160 174.500 175.869 -1.369 1 1 1432 . 3 1 1 A 160 160 ILE CA C 160 58.700 60.137 -1.437 1 1 1433 . 3 1 1 A 160 160 ILE CB C 160 42.000 40.891 1.109 1 1 1434 . 3 1 1 A 160 160 ILE N N 160 124.100 123.414 0.686 1 1 1435 . 3 1 1 A 161 161 PHE H H 161 8.920 8.857 0.063 1 1 1436 . 3 1 1 A 161 161 PHE HA H 161 5.780 6.121 -0.341 1 1 1439 . 3 1 1 A 161 161 PHE C C 161 172.800 172.844 -0.044 1 1 1440 . 3 1 1 A 161 161 PHE CA C 161 54.500 55.012 -0.512 1 1 1441 . 3 1 1 A 161 161 PHE CB C 161 42.700 42.853 -0.153 1 1 1442 . 3 1 1 A 161 161 PHE N N 161 122.600 121.178 1.422 1 1 1443 . 3 1 1 A 162 162 ILE H H 162 8.780 9.279 -0.499 1 1 1444 . 3 1 1 A 162 162 ILE HA H 162 4.310 4.966 -0.656 1 1 1451 . 3 1 1 A 162 162 ILE C C 162 174.000 172.708 1.292 1 1 1452 . 3 1 1 A 162 162 ILE CA C 162 59.600 59.823 -0.223 1 1 1453 . 3 1 1 A 162 162 ILE CB C 162 42.300 41.976 0.324 1 1 1454 . 3 1 1 A 162 162 ILE N N 162 121.400 121.548 -0.148 1 1 1455 . 3 1 1 A 163 163 ASP H H 163 8.410 8.705 -0.295 1 1 1456 . 3 1 1 A 163 163 ASP HA H 163 5.370 4.697 0.673 1 1 1459 . 3 1 1 A 163 163 ASP C C 163 178.300 176.724 1.576 1 1 1460 . 3 1 1 A 163 163 ASP CA C 163 52.600 54.269 -1.669 1 1 1461 . 3 1 1 A 163 163 ASP CB C 163 40.500 42.949 -2.449 1 1 1462 . 3 1 1 A 163 163 ASP N N 163 123.800 128.599 -4.799 1 1 1463 . 3 1 1 A 164 164 SER H H 164 7.470 8.986 -1.516 1 1 1464 . 3 1 1 A 164 164 SER HA H 164 3.990 3.922 0.068 1 1 1467 . 3 1 1 A 164 164 SER C C 164 173.900 174.459 -0.559 1 1 1468 . 3 1 1 A 164 164 SER CA C 164 60.500 62.145 -1.645 1 1 1469 . 3 1 1 A 164 164 SER CB C 164 64.500 62.721 1.779 1 1 1470 . 3 1 1 A 164 164 SER N N 164 124.000 121.751 2.249 1 1 1471 . 3 1 1 A 165 165 ASP H H 165 8.360 8.027 0.333 1 1 1472 . 3 1 1 A 165 165 ASP HA H 165 4.670 4.385 0.285 1 1 1475 . 3 1 1 A 165 165 ASP C C 165 177.400 176.379 1.021 1 1 1476 . 3 1 1 A 165 165 ASP CA C 165 55.600 55.253 0.347 1 1 1477 . 3 1 1 A 165 165 ASP CB C 165 41.300 39.038 2.262 1 1 1478 . 3 1 1 A 165 165 ASP N N 165 119.300 117.369 1.931 1 1 1479 . 3 1 1 A 166 166 HIS H H 166 7.260 8.054 -0.794 1 1 1480 . 3 1 1 A 166 166 HIS HA H 166 4.400 4.315 0.085 1 1 1482 . 3 1 1 A 166 166 HIS CA C 166 58.300 58.830 -0.530 1 1 1483 . 3 1 1 A 166 166 HIS CB C 166 31.900 30.232 1.668 1 1 1484 . 3 1 1 A 166 166 HIS N N 166 121.400 117.893 3.507 1 1 1485 . 3 1 1 A 167 167 THR HA H 167 4.050 4.137 -0.087 1 1 1490 . 3 1 1 A 167 167 THR C C 167 176.800 175.904 0.896 1 1 1491 . 3 1 1 A 167 167 THR CA C 167 66.000 65.180 0.820 1 1 1492 . 3 1 1 A 167 167 THR CB C 167 68.600 69.626 -1.026 1 1 1493 . 3 1 1 A 168 168 ASP H H 168 11.030 8.257 2.773 1 1 1494 . 3 1 1 A 168 168 ASP HA H 168 4.640 4.391 0.249 1 1 1497 . 3 1 1 A 168 168 ASP C C 168 177.500 177.886 -0.386 1 1 1498 . 3 1 1 A 168 168 ASP CA C 168 56.800 56.729 0.071 1 1 1499 . 3 1 1 A 168 168 ASP CB C 168 39.800 40.813 -1.013 1 1 1500 . 3 1 1 A 168 168 ASP N N 168 124.900 120.762 4.138 1 1 1501 . 3 1 1 A 169 169 ASN H H 169 7.970 8.688 -0.718 1 1 1502 . 3 1 1 A 169 169 ASN HA H 169 5.260 4.744 0.516 1 1 1505 . 3 1 1 A 169 169 ASN C C 169 176.100 176.746 -0.646 1 1 1506 . 3 1 1 A 169 169 ASN CA C 169 52.700 54.110 -1.410 1 1 1507 . 3 1 1 A 169 169 ASN CB C 169 38.600 38.596 0.004 1 1 1508 . 3 1 1 A 169 169 ASN N N 169 114.600 116.810 -2.210 1 1 1509 . 3 1 1 A 170 170 GLN H H 170 7.660 7.883 -0.223 1 1 1510 . 3 1 1 A 170 170 GLN HA H 170 4.020 3.930 0.090 1 1 1513 . 3 1 1 A 170 170 GLN C C 170 178.100 178.606 -0.506 1 1 1514 . 3 1 1 A 170 170 GLN CA C 170 59.500 59.076 0.424 1 1 1515 . 3 1 1 A 170 170 GLN CB C 170 28.000 28.271 -0.271 1 1 1516 . 3 1 1 A 170 170 GLN N N 170 121.400 119.573 1.827 1 1 1517 . 3 1 1 A 171 171 ARG H H 171 8.570 7.748 0.822 1 1 1518 . 3 1 1 A 171 171 ARG HA H 171 4.250 4.119 0.131 1 1 1521 . 3 1 1 A 171 171 ARG C C 171 178.700 178.603 0.097 1 1 1522 . 3 1 1 A 171 171 ARG CA C 171 58.700 58.852 -0.152 1 1 1523 . 3 1 1 A 171 171 ARG CB C 171 29.100 30.072 -0.972 1 1 1524 . 3 1 1 A 171 171 ARG N N 171 117.500 119.725 -2.225 1 1 1525 . 3 1 1 A 172 172 ILE H H 172 7.700 7.984 -0.284 1 1 1526 . 3 1 1 A 172 172 ILE HA H 172 4.010 3.677 0.333 1 1 1534 . 3 1 1 A 172 172 ILE C C 172 177.600 178.472 -0.872 1 1 1535 . 3 1 1 A 172 172 ILE CA C 172 63.300 65.476 -2.176 1 1 1536 . 3 1 1 A 172 172 ILE CB C 172 37.000 37.759 -0.759 1 1 1537 . 3 1 1 A 172 172 ILE N N 172 121.000 119.937 1.063 1 1 1538 . 3 1 1 A 173 173 LEU H H 173 7.400 8.099 -0.699 1 1 1539 . 3 1 1 A 173 173 LEU HA H 173 3.740 3.902 -0.162 1 1 1548 . 3 1 1 A 173 173 LEU C C 173 179.500 178.771 0.729 1 1 1549 . 3 1 1 A 173 173 LEU CA C 173 60.500 58.280 2.220 1 1 1550 . 3 1 1 A 173 173 LEU CB C 173 40.500 41.412 -0.912 1 1 1551 . 3 1 1 A 173 173 LEU N N 173 121.400 120.056 1.344 1 1 1552 . 3 1 1 A 174 174 GLU H H 174 8.030 8.095 -0.065 1 1 1553 . 3 1 1 A 174 174 GLU HA H 174 4.000 3.926 0.074 1 1 1557 . 3 1 1 A 174 174 GLU C C 174 180.200 178.716 1.484 1 1 1558 . 3 1 1 A 174 174 GLU CA C 174 59.200 59.692 -0.492 1 1 1559 . 3 1 1 A 174 174 GLU CB C 174 29.300 29.519 -0.219 1 1 1560 . 3 1 1 A 174 174 GLU N N 174 117.200 119.785 -2.585 1 1 1561 . 3 1 1 A 175 175 PHE H H 175 8.000 7.913 0.087 1 1 1562 . 3 1 1 A 175 175 PHE HA H 175 4.150 4.236 -0.086 1 1 1565 . 3 1 1 A 175 175 PHE C C 175 176.400 178.210 -1.810 1 1 1566 . 3 1 1 A 175 175 PHE CA C 175 60.800 61.535 -0.735 1 1 1567 . 3 1 1 A 175 175 PHE CB C 175 38.700 38.972 -0.272 1 1 1568 . 3 1 1 A 175 175 PHE N N 175 122.000 120.851 1.149 1 1 1569 . 3 1 1 A 176 176 PHE H H 176 7.510 7.682 -0.172 1 1 1570 . 3 1 1 A 176 176 PHE HA H 176 4.110 4.355 -0.245 1 1 1573 . 3 1 1 A 176 176 PHE C C 176 175.000 175.350 -0.350 1 1 1574 . 3 1 1 A 176 176 PHE CA C 176 59.300 59.975 -0.675 1 1 1575 . 3 1 1 A 176 176 PHE CB C 176 40.000 39.843 0.157 1 1 1576 . 3 1 1 A 176 176 PHE N N 176 113.100 117.444 -4.344 1 1 1577 . 3 1 1 A 177 177 GLY H H 177 8.030 7.803 0.227 1 1 1578 . 3 1 1 A 177 177 GLY HA2 H 177 3.850 3.862 -0.012 1 1 1579 . 3 1 1 A 177 177 GLY C C 177 173.900 174.301 -0.401 1 1 1580 . 3 1 1 A 177 177 GLY CA C 177 46.500 46.935 -0.435 1 1 1581 . 3 1 1 A 177 177 GLY N N 177 110.900 108.029 2.871 1 1 1582 . 3 1 1 A 178 178 LEU H H 178 7.730 7.851 -0.121 1 1 1583 . 3 1 1 A 178 178 LEU HA H 178 4.440 4.886 -0.446 1 1 1592 . 3 1 1 A 178 178 LEU C C 178 175.800 175.132 0.668 1 1 1593 . 3 1 1 A 178 178 LEU CA C 178 53.500 53.382 0.118 1 1 1594 . 3 1 1 A 178 178 LEU CB C 178 45.900 45.944 -0.044 1 1 1595 . 3 1 1 A 178 178 LEU N N 178 120.700 120.747 -0.047 1 1 1596 . 3 1 1 A 179 179 LYS H H 179 8.170 8.709 -0.539 1 1 1597 . 3 1 1 A 179 179 LYS HA H 179 4.530 4.583 -0.053 1 1 1600 . 3 1 1 A 179 179 LYS C C 179 178.500 176.636 1.864 1 1 1601 . 3 1 1 A 179 179 LYS CA C 179 54.000 54.178 -0.178 1 1 1602 . 3 1 1 A 179 179 LYS CB C 179 34.100 34.713 -0.613 1 1 1603 . 3 1 1 A 179 179 LYS N N 179 119.500 124.910 -5.410 1 1 1604 . 3 1 1 A 180 180 LYS H H 180 9.110 8.754 0.356 1 1 1605 . 3 1 1 A 180 180 LYS HA H 180 3.820 4.011 -0.191 1 1 1609 . 3 1 1 A 180 180 LYS C C 180 179.600 178.131 1.469 1 1 1610 . 3 1 1 A 180 180 LYS CA C 180 60.900 60.218 0.682 1 1 1611 . 3 1 1 A 180 180 LYS CB C 180 32.100 32.265 -0.165 1 1 1612 . 3 1 1 A 180 180 LYS N N 180 124.200 123.703 0.497 1 1 1613 . 3 1 1 A 181 181 GLU H H 181 9.460 8.809 0.651 1 1 1614 . 3 1 1 A 181 181 GLU HA H 181 4.220 4.164 0.056 1 1 1617 . 3 1 1 A 181 181 GLU C C 181 176.700 176.722 -0.022 1 1 1618 . 3 1 1 A 181 181 GLU CA C 181 58.700 57.320 1.380 1 1 1619 . 3 1 1 A 181 181 GLU CB C 181 28.300 28.204 0.096 1 1 1620 . 3 1 1 A 181 181 GLU N N 181 116.600 115.767 0.833 1 1 1621 . 3 1 1 A 182 182 GLU H H 182 7.660 8.233 -0.573 1 1 1622 . 3 1 1 A 182 182 GLU HA H 182 4.320 4.250 0.070 1 1 1625 . 3 1 1 A 182 182 GLU C C 182 174.900 175.624 -0.724 1 1 1626 . 3 1 1 A 182 182 GLU CA C 182 55.700 56.326 -0.626 1 1 1627 . 3 1 1 A 182 182 GLU CB C 182 30.600 28.726 1.874 1 1 1628 . 3 1 1 A 182 182 GLU N N 182 118.300 119.841 -1.541 1 1 1629 . 3 1 1 A 183 183 CYS H H 183 7.090 8.027 -0.937 1 1 1630 . 3 1 1 A 183 183 CYS HA H 183 4.270 5.134 -0.864 1 1 1633 . 3 1 1 A 183 183 CYS CA C 183 58.200 57.400 0.800 1 1 1634 . 3 1 1 A 183 183 CYS CB C 183 27.400 29.573 -2.173 1 1 1635 . 3 1 1 A 183 183 CYS N N 183 117.700 122.034 -4.334 1 1 1636 . 3 1 1 A 184 184 PRO HA H 184 5.370 4.942 0.428 1 1 1637 . 3 1 1 A 184 184 PRO C C 184 174.300 175.995 -1.695 1 1 1638 . 3 1 1 A 184 184 PRO CA C 184 61.500 63.411 -1.911 1 1 1639 . 3 1 1 A 184 184 PRO CB C 184 36.000 32.479 3.521 1 1 1640 . 3 1 1 A 185 185 ALA H H 185 8.370 8.571 -0.201 1 1 1641 . 3 1 1 A 185 185 ALA HA H 185 4.790 4.939 -0.149 1 1 1645 . 3 1 1 A 185 185 ALA C C 185 174.800 175.047 -0.247 1 1 1646 . 3 1 1 A 185 185 ALA CA C 185 51.600 51.149 0.451 1 1 1647 . 3 1 1 A 185 185 ALA CB C 185 23.400 23.662 -0.262 1 1 1648 . 3 1 1 A 185 185 ALA N N 185 123.000 121.569 1.431 1 1 1649 . 3 1 1 A 186 186 VAL H H 186 8.660 8.600 0.060 1 1 1650 . 3 1 1 A 186 186 VAL HA H 186 5.710 4.814 0.896 1 1 1655 . 3 1 1 A 186 186 VAL C C 186 176.500 174.603 1.897 1 1 1656 . 3 1 1 A 186 186 VAL CA C 186 59.300 61.355 -2.055 1 1 1657 . 3 1 1 A 186 186 VAL CB C 186 35.300 33.886 1.414 1 1 1658 . 3 1 1 A 186 186 VAL N N 186 117.900 119.574 -1.674 1 1 1659 . 3 1 1 A 187 187 ARG H H 187 8.910 8.921 -0.011 1 1 1660 . 3 1 1 A 187 187 ARG HA H 187 5.000 5.295 -0.295 1 1 1663 . 3 1 1 A 187 187 ARG C C 187 172.600 174.252 -1.652 1 1 1664 . 3 1 1 A 187 187 ARG CA C 187 53.000 54.187 -1.187 1 1 1665 . 3 1 1 A 187 187 ARG CB C 187 35.900 34.395 1.505 1 1 1666 . 3 1 1 A 187 187 ARG N N 187 123.000 125.744 -2.744 1 1 1667 . 3 1 1 A 188 188 LEU H H 188 8.790 9.034 -0.244 1 1 1668 . 3 1 1 A 188 188 LEU HA H 188 5.420 5.231 0.189 1 1 1677 . 3 1 1 A 188 188 LEU C C 188 174.600 174.558 0.042 1 1 1678 . 3 1 1 A 188 188 LEU CA C 188 54.300 53.289 1.011 1 1 1679 . 3 1 1 A 188 188 LEU CB C 188 47.300 45.468 1.832 1 1 1680 . 3 1 1 A 188 188 LEU N N 188 124.700 124.816 -0.116 1 1 1681 . 3 1 1 A 189 189 ILE H H 189 9.590 9.035 0.555 1 1 1682 . 3 1 1 A 189 189 ILE HA H 189 5.880 5.189 0.691 1 1 1690 . 3 1 1 A 189 189 ILE C C 189 173.500 173.799 -0.299 1 1 1691 . 3 1 1 A 189 189 ILE CA C 189 58.400 59.073 -0.673 1 1 1692 . 3 1 1 A 189 189 ILE CB C 189 43.000 42.170 0.830 1 1 1693 . 3 1 1 A 189 189 ILE N N 189 121.800 124.695 -2.895 1 1 1694 . 3 1 1 A 190 190 THR H H 190 8.750 8.567 0.183 1 1 1695 . 3 1 1 A 190 190 THR HA H 190 5.360 5.214 0.146 1 1 1700 . 3 1 1 A 190 190 THR C C 190 174.300 173.568 0.732 1 1 1701 . 3 1 1 A 190 190 THR CA C 190 58.800 61.024 -2.224 1 1 1702 . 3 1 1 A 190 190 THR CB C 190 70.400 71.971 -1.571 1 1 1703 . 3 1 1 A 190 190 THR N N 190 114.200 123.425 -9.225 1 1 1704 . 3 1 1 A 191 191 LEU H H 191 8.610 8.736 -0.126 1 1 1705 . 3 1 1 A 191 191 LEU HA H 191 4.640 5.204 -0.564 1 1 1711 . 3 1 1 A 191 191 LEU C C 191 176.400 175.945 0.455 1 1 1712 . 3 1 1 A 191 191 LEU CA C 191 54.500 54.165 0.335 1 1 1713 . 3 1 1 A 191 191 LEU CB C 191 42.300 45.582 -3.282 1 1 1714 . 3 1 1 A 191 191 LEU N N 191 125.500 125.413 0.087 1 1 1715 . 3 1 1 A 192 192 GLU H H 192 7.540 8.703 -1.163 1 1 1716 . 3 1 1 A 192 192 GLU HA H 192 4.510 4.509 0.001 1 1 1719 . 3 1 1 A 192 192 GLU C C 192 176.100 176.894 -0.794 1 1 1720 . 3 1 1 A 192 192 GLU CA C 192 56.300 57.909 -1.609 1 1 1721 . 3 1 1 A 192 192 GLU CB C 192 29.800 31.519 -1.719 1 1 1722 . 3 1 1 A 192 192 GLU N N 192 123.400 122.909 0.491 1 1 1723 . 3 1 1 A 193 193 GLU H H 193 8.490 8.349 0.141 1 1 1724 . 3 1 1 A 193 193 GLU HA H 193 4.150 4.511 -0.361 1 1 1727 . 3 1 1 A 193 193 GLU C C 193 176.700 176.233 0.467 1 1 1728 . 3 1 1 A 193 193 GLU CA C 193 59.200 56.776 2.424 1 1 1729 . 3 1 1 A 193 193 GLU CB C 193 29.000 31.013 -2.013 1 1 1730 . 3 1 1 A 193 193 GLU N N 193 122.400 117.076 5.324 1 1 1731 . 3 1 1 A 194 194 GLU H H 194 7.990 7.712 0.278 1 1 1732 . 3 1 1 A 194 194 GLU HA H 194 4.460 4.894 -0.434 1 1 1736 . 3 1 1 A 194 194 GLU C C 194 175.700 173.773 1.927 1 1 1737 . 3 1 1 A 194 194 GLU CA C 194 54.900 55.051 -0.151 1 1 1738 . 3 1 1 A 194 194 GLU CB C 194 31.400 34.651 -3.251 1 1 1739 . 3 1 1 A 194 194 GLU N N 194 116.200 118.392 -2.192 1 1 1740 . 3 1 1 A 195 195 MET H H 195 8.760 8.802 -0.042 1 1 1741 . 3 1 1 A 195 195 MET HA H 195 5.050 4.991 0.059 1 1 1746 . 3 1 1 A 195 195 MET C C 195 175.900 174.945 0.955 1 1 1747 . 3 1 1 A 195 195 MET CA C 195 56.000 53.886 2.114 1 1 1748 . 3 1 1 A 195 195 MET CB C 195 33.200 33.303 -0.103 1 1 1749 . 3 1 1 A 195 195 MET N N 195 123.000 121.815 1.185 1 1 1750 . 3 1 1 A 196 196 THR H H 196 8.400 8.997 -0.597 1 1 1751 . 3 1 1 A 196 196 THR HA H 196 4.400 5.195 -0.795 1 1 1756 . 3 1 1 A 196 196 THR C C 196 172.000 173.078 -1.078 1 1 1757 . 3 1 1 A 196 196 THR CA C 196 62.900 60.643 2.257 1 1 1758 . 3 1 1 A 196 196 THR CB C 196 69.800 71.303 -1.503 1 1 1759 . 3 1 1 A 196 196 THR N N 196 122.000 122.486 -0.486 1 1 1760 . 3 1 1 A 197 197 LYS H H 197 8.530 9.045 -0.515 1 1 1761 . 3 1 1 A 197 197 LYS HA H 197 5.420 5.003 0.417 1 1 1764 . 3 1 1 A 197 197 LYS C C 197 174.700 174.673 0.027 1 1 1765 . 3 1 1 A 197 197 LYS CA C 197 55.000 55.087 -0.087 1 1 1766 . 3 1 1 A 197 197 LYS CB C 197 35.600 35.162 0.438 1 1 1767 . 3 1 1 A 197 197 LYS N N 197 123.900 127.350 -3.450 1 1 1768 . 3 1 1 A 198 198 TYR H H 198 9.540 9.448 0.092 1 1 1769 . 3 1 1 A 198 198 TYR HA H 198 4.880 5.350 -0.470 1 1 1772 . 3 1 1 A 198 198 TYR C C 198 174.400 173.409 0.991 1 1 1773 . 3 1 1 A 198 198 TYR CA C 198 57.700 56.349 1.351 1 1 1774 . 3 1 1 A 198 198 TYR CB C 198 41.700 41.929 -0.229 1 1 1775 . 3 1 1 A 198 198 TYR N N 198 117.900 124.264 -6.364 1 1 1776 . 3 1 1 A 199 199 LYS H H 199 9.290 8.406 0.884 1 1 1777 . 3 1 1 A 199 199 LYS HA H 199 5.070 4.998 0.072 1 1 1781 . 3 1 1 A 199 199 LYS CA C 199 52.500 53.352 -0.852 1 1 1782 . 3 1 1 A 199 199 LYS CB C 199 35.400 35.046 0.354 1 1 1783 . 3 1 1 A 199 199 LYS N N 199 122.600 128.941 -6.341 1 1 1784 . 3 1 1 A 200 200 PRO HA H 200 4.120 5.257 -1.137 1 1 1785 . 3 1 1 A 200 200 PRO C C 200 176.700 175.972 0.728 1 1 1786 . 3 1 1 A 200 200 PRO CA C 200 62.000 62.723 -0.723 1 1 1787 . 3 1 1 A 200 200 PRO CB C 200 31.200 33.685 -2.485 1 1 1788 . 3 1 1 A 201 201 GLU H H 201 9.010 9.207 -0.197 1 1 1789 . 3 1 1 A 201 201 GLU HA H 201 4.110 4.559 -0.449 1 1 1793 . 3 1 1 A 201 201 GLU C C 201 176.100 175.872 0.228 1 1 1794 . 3 1 1 A 201 201 GLU CA C 201 57.600 57.991 -0.391 1 1 1795 . 3 1 1 A 201 201 GLU CB C 201 30.400 31.329 -0.929 1 1 1796 . 3 1 1 A 201 201 GLU N N 201 119.700 119.506 0.194 1 1 1797 . 3 1 1 A 202 202 SER H H 202 7.570 8.377 -0.807 1 1 1798 . 3 1 1 A 202 202 SER HA H 202 4.650 4.548 0.102 1 1 1801 . 3 1 1 A 202 202 SER C C 202 174.400 173.666 0.734 1 1 1802 . 3 1 1 A 202 202 SER CA C 202 56.400 58.629 -2.229 1 1 1803 . 3 1 1 A 202 202 SER CB C 202 65.100 64.744 0.356 1 1 1804 . 3 1 1 A 202 202 SER N N 202 111.900 115.895 -3.995 1 1 1805 . 3 1 1 A 203 203 GLU H H 203 8.790 8.757 0.033 1 1 1806 . 3 1 1 A 203 203 GLU HA H 203 4.370 5.301 -0.931 1 1 1809 . 3 1 1 A 203 203 GLU C C 203 176.100 175.272 0.828 1 1 1810 . 3 1 1 A 203 203 GLU CA C 203 56.200 54.727 1.473 1 1 1811 . 3 1 1 A 203 203 GLU CB C 203 29.500 33.238 -3.738 1 1 1812 . 3 1 1 A 203 203 GLU N N 203 122.800 124.192 -1.392 1 1 1813 . 3 1 1 A 204 204 GLU H H 204 8.030 9.025 -0.995 1 1 1814 . 3 1 1 A 204 204 GLU HA H 204 4.110 4.648 -0.538 1 1 1817 . 3 1 1 A 204 204 GLU C C 204 176.300 175.344 0.956 1 1 1818 . 3 1 1 A 204 204 GLU CA C 204 57.300 56.260 1.040 1 1 1819 . 3 1 1 A 204 204 GLU CB C 204 31.100 30.974 0.126 1 1 1820 . 3 1 1 A 204 204 GLU N N 204 120.700 125.497 -4.797 1 1 1821 . 3 1 1 A 205 205 LEU H H 205 8.690 8.266 0.424 1 1 1822 . 3 1 1 A 205 205 LEU HA H 205 4.580 5.017 -0.437 1 1 1831 . 3 1 1 A 205 205 LEU C C 205 176.300 177.105 -0.805 1 1 1832 . 3 1 1 A 205 205 LEU CA C 205 53.100 53.240 -0.140 1 1 1833 . 3 1 1 A 205 205 LEU CB C 205 41.100 45.322 -4.222 1 1 1834 . 3 1 1 A 205 205 LEU N N 205 125.500 122.197 3.303 1 1 1835 . 3 1 1 A 206 206 THR H H 206 6.800 9.011 -2.211 1 1 1836 . 3 1 1 A 206 206 THR HA H 206 4.370 3.921 0.449 1 1 1841 . 3 1 1 A 206 206 THR C C 206 175.200 176.033 -0.833 1 1 1842 . 3 1 1 A 206 206 THR CA C 206 59.400 66.036 -6.636 1 1 1843 . 3 1 1 A 206 206 THR CB C 206 70.400 69.380 1.020 1 1 1844 . 3 1 1 A 206 206 THR N N 206 108.200 120.135 -11.935 1 1 1845 . 3 1 1 A 207 207 ALA H H 207 9.320 8.356 0.964 1 1 1846 . 3 1 1 A 207 207 ALA HA H 207 4.010 3.866 0.144 1 1 1850 . 3 1 1 A 207 207 ALA C C 207 180.800 180.098 0.702 1 1 1851 . 3 1 1 A 207 207 ALA CA C 207 56.000 55.187 0.813 1 1 1852 . 3 1 1 A 207 207 ALA CB C 207 18.200 17.846 0.354 1 1 1853 . 3 1 1 A 207 207 ALA N N 207 125.300 122.584 2.716 1 1 1854 . 3 1 1 A 208 208 GLU H H 208 9.390 8.161 1.229 1 1 1855 . 3 1 1 A 208 208 GLU HA H 208 4.050 3.998 0.052 1 1 1859 . 3 1 1 A 208 208 GLU C C 208 179.100 179.250 -0.150 1 1 1860 . 3 1 1 A 208 208 GLU CA C 208 60.200 59.482 0.718 1 1 1861 . 3 1 1 A 208 208 GLU CB C 208 29.100 29.175 -0.075 1 1 1862 . 3 1 1 A 208 208 GLU N N 208 118.500 118.815 -0.315 1 1 1863 . 3 1 1 A 209 209 ARG H H 209 7.700 8.816 -1.116 1 1 1864 . 3 1 1 A 209 209 ARG HA H 209 4.230 3.984 0.246 1 1 1867 . 3 1 1 A 209 209 ARG C C 209 180.000 179.119 0.881 1 1 1868 . 3 1 1 A 209 209 ARG CA C 209 57.900 59.330 -1.430 1 1 1869 . 3 1 1 A 209 209 ARG CB C 209 30.100 30.666 -0.566 1 1 1870 . 3 1 1 A 209 209 ARG N N 209 119.700 119.765 -0.065 1 1 1871 . 3 1 1 A 210 210 ILE H H 210 8.540 7.636 0.904 1 1 1872 . 3 1 1 A 210 210 ILE HA H 210 3.950 4.109 -0.159 1 1 1880 . 3 1 1 A 210 210 ILE C C 210 178.000 178.231 -0.231 1 1 1881 . 3 1 1 A 210 210 ILE CA C 210 65.400 64.452 0.948 1 1 1882 . 3 1 1 A 210 210 ILE CB C 210 38.300 37.552 0.748 1 1 1883 . 3 1 1 A 210 210 ILE N N 210 122.000 117.566 4.434 1 1 1884 . 3 1 1 A 211 211 THR H H 211 8.620 8.401 0.219 1 1 1885 . 3 1 1 A 211 211 THR HA H 211 4.040 3.923 0.117 1 1 1890 . 3 1 1 A 211 211 THR C C 211 175.300 175.974 -0.674 1 1 1891 . 3 1 1 A 211 211 THR CA C 211 67.800 67.227 0.573 1 1 1892 . 3 1 1 A 211 211 THR CB C 211 68.300 68.112 0.188 1 1 1893 . 3 1 1 A 211 211 THR N N 211 117.100 117.663 -0.563 1 1 1894 . 3 1 1 A 212 212 GLU H H 212 8.050 7.910 0.140 1 1 1895 . 3 1 1 A 212 212 GLU HA H 212 4.280 3.862 0.418 1 1 1898 . 3 1 1 A 212 212 GLU C C 212 177.200 179.100 -1.900 1 1 1899 . 3 1 1 A 212 212 GLU CA C 212 59.700 59.260 0.440 1 1 1900 . 3 1 1 A 212 212 GLU CB C 212 30.300 29.296 1.004 1 1 1901 . 3 1 1 A 212 212 GLU N N 212 121.600 121.555 0.045 1 1 1902 . 3 1 1 A 213 213 PHE H H 213 7.890 7.727 0.163 1 1 1903 . 3 1 1 A 213 213 PHE HA H 213 4.620 4.256 0.364 1 1 1906 . 3 1 1 A 213 213 PHE C C 213 176.300 178.587 -2.287 1 1 1907 . 3 1 1 A 213 213 PHE CA C 213 59.300 60.806 -1.506 1 1 1908 . 3 1 1 A 213 213 PHE CB C 213 38.700 38.131 0.569 1 1 1909 . 3 1 1 A 213 213 PHE N N 213 119.700 119.160 0.540 1 1 1910 . 3 1 1 A 214 214 CYS H H 214 7.700 7.852 -0.152 1 1 1911 . 3 1 1 A 214 214 CYS HA H 214 3.260 3.921 -0.661 1 1 1914 . 3 1 1 A 214 214 CYS C C 214 177.000 177.285 -0.285 1 1 1915 . 3 1 1 A 214 214 CYS CA C 214 64.500 64.055 0.445 1 1 1916 . 3 1 1 A 214 214 CYS CB C 214 27.400 26.920 0.480 1 1 1917 . 3 1 1 A 214 214 CYS N N 214 116.000 117.502 -1.502 1 1 1918 . 3 1 1 A 215 215 HIS H H 215 8.640 8.529 0.111 1 1 1919 . 3 1 1 A 215 215 HIS HA H 215 4.500 3.997 0.503 1 1 1922 . 3 1 1 A 215 215 HIS C C 215 178.100 176.877 1.223 1 1 1923 . 3 1 1 A 215 215 HIS CA C 215 60.300 60.611 -0.311 1 1 1924 . 3 1 1 A 215 215 HIS CB C 215 30.300 29.462 0.838 1 1 1925 . 3 1 1 A 215 215 HIS N N 215 118.100 119.824 -1.724 1 1 1926 . 3 1 1 A 216 216 ARG H H 216 8.730 8.183 0.547 1 1 1927 . 3 1 1 A 216 216 ARG HA H 216 3.920 3.798 0.122 1 1 1930 . 3 1 1 A 216 216 ARG C C 216 179.100 178.551 0.549 1 1 1931 . 3 1 1 A 216 216 ARG CA C 216 59.800 59.612 0.188 1 1 1932 . 3 1 1 A 216 216 ARG CB C 216 30.100 29.652 0.448 1 1 1933 . 3 1 1 A 216 216 ARG N N 216 118.700 118.202 0.498 1 1 1934 . 3 1 1 A 217 217 PHE H H 217 8.390 7.997 0.393 1 1 1935 . 3 1 1 A 217 217 PHE HA H 217 3.970 4.172 -0.202 1 1 1938 . 3 1 1 A 217 217 PHE C C 217 179.200 177.232 1.968 1 1 1939 . 3 1 1 A 217 217 PHE CA C 217 60.700 61.097 -0.397 1 1 1940 . 3 1 1 A 217 217 PHE CB C 217 37.800 39.050 -1.250 1 1 1941 . 3 1 1 A 217 217 PHE N N 217 120.600 120.640 -0.040 1 1 1942 . 3 1 1 A 218 218 LEU H H 218 8.250 8.646 -0.396 1 1 1943 . 3 1 1 A 218 218 LEU HA H 218 3.500 4.142 -0.642 1 1 1953 . 3 1 1 A 218 218 LEU C C 218 178.800 178.309 0.491 1 1 1954 . 3 1 1 A 218 218 LEU CA C 218 57.400 57.003 0.397 1 1 1955 . 3 1 1 A 218 218 LEU CB C 218 41.300 41.220 0.080 1 1 1956 . 3 1 1 A 218 218 LEU N N 218 123.500 119.141 4.359 1 1 1957 . 3 1 1 A 219 219 GLU H H 219 7.770 7.491 0.279 1 1 1958 . 3 1 1 A 219 219 GLU HA H 219 4.200 4.426 -0.226 1 1 1963 . 3 1 1 A 219 219 GLU C C 219 176.800 176.430 0.370 1 1 1964 . 3 1 1 A 219 219 GLU CA C 219 56.200 56.555 -0.355 1 1 1965 . 3 1 1 A 219 219 GLU CB C 219 30.600 30.068 0.532 1 1 1966 . 3 1 1 A 219 219 GLU N N 219 116.400 118.442 -2.042 1 1 1967 . 3 1 1 A 220 220 GLY H H 220 7.720 7.855 -0.135 1 1 1968 . 3 1 1 A 220 220 GLY HA2 H 220 3.890 3.823 0.067 1 1 1969 . 3 1 1 A 220 220 GLY HA3 H 220 3.960 3.902 0.058 1 1 1970 . 3 1 1 A 220 220 GLY C C 220 176.300 174.924 1.376 1 1 1971 . 3 1 1 A 220 220 GLY CA C 220 46.300 46.308 -0.008 1 1 1972 . 3 1 1 A 220 220 GLY N N 220 108.600 109.054 -0.454 1 1 1973 . 3 1 1 A 221 221 LYS H H 221 8.000 7.187 0.813 1 1 1974 . 3 1 1 A 221 221 LYS HA H 221 4.320 4.341 -0.021 1 1 1978 . 3 1 1 A 221 221 LYS C C 221 175.900 176.021 -0.121 1 1 1979 . 3 1 1 A 221 221 LYS CA C 221 56.100 56.601 -0.501 1 1 1980 . 3 1 1 A 221 221 LYS CB C 221 33.700 33.761 -0.061 1 1 1981 . 3 1 1 A 221 221 LYS N N 221 116.600 119.793 -3.193 1 1 1982 . 3 1 1 A 222 222 ILE H H 222 7.910 8.176 -0.266 1 1 1983 . 3 1 1 A 222 222 ILE HA H 222 4.570 4.270 0.300 1 1 1992 . 3 1 1 A 222 222 ILE C C 222 175.400 176.179 -0.779 1 1 1993 . 3 1 1 A 222 222 ILE CA C 222 59.200 61.751 -2.551 1 1 1994 . 3 1 1 A 222 222 ILE CB C 222 38.800 38.847 -0.047 1 1 1995 . 3 1 1 A 222 222 ILE N N 222 118.900 122.567 -3.667 1 1 1996 . 3 1 1 A 223 223 LYS H H 223 8.760 8.515 0.245 1 1 1997 . 3 1 1 A 223 223 LYS HA H 223 4.570 4.473 0.097 1 1 2000 . 3 1 1 A 223 223 LYS CA C 223 54.300 55.038 -0.738 1 1 2001 . 3 1 1 A 223 223 LYS CB C 223 32.000 31.639 0.361 1 1 2002 . 3 1 1 A 223 223 LYS N N 223 127.700 129.490 -1.790 1 1 2003 . 3 1 1 A 224 224 PRO C C 224 175.900 176.408 -0.508 1 1 2004 . 3 1 1 A 224 224 PRO CA C 224 63.000 62.244 0.756 1 1 2005 . 3 1 1 A 224 224 PRO CB C 224 32.300 33.159 -0.859 1 1 2006 . 3 1 1 A 225 225 HIS H H 225 8.770 8.286 0.484 1 1 2007 . 3 1 1 A 225 225 HIS C C 225 174.700 175.238 -0.538 1 1 2008 . 3 1 1 A 225 225 HIS CA C 225 55.800 56.389 -0.589 1 1 2009 . 3 1 1 A 225 225 HIS CB C 225 31.100 30.256 0.844 1 1 2010 . 3 1 1 A 225 225 HIS N N 225 121.800 119.001 2.799 1 1 2011 . 3 1 1 A 226 226 LEU H H 226 8.160 8.394 -0.234 1 1 2012 . 3 1 1 A 226 226 LEU C C 226 176.400 176.917 -0.517 1 1 2013 . 3 1 1 A 226 226 LEU CA C 226 54.500 54.239 0.261 1 1 2014 . 3 1 1 A 226 226 LEU CB C 226 42.300 42.445 -0.145 1 1 2015 . 3 1 1 A 226 226 LEU N N 226 127.000 121.099 5.901 1 1 2016 . 3 1 1 A 227 227 MET H H 227 7.980 7.882 0.098 1 1 2017 . 3 1 1 A 227 227 MET C C 227 175.100 175.796 -0.696 1 1 2018 . 3 1 1 A 227 227 MET CA C 227 55.400 54.559 0.841 1 1 2019 . 3 1 1 A 227 227 MET CB C 227 33.000 31.154 1.846 1 1 2020 . 3 1 1 A 227 227 MET N N 227 120.800 121.565 -0.765 1 1 2025 . 3 2 1 A 2 2 PRO C C 2 176.900 178.129 -1.229 1 1 2026 . 3 2 1 A 2 2 PRO CA C 2 63.300 63.934 -0.634 1 1 2027 . 3 2 1 A 2 2 PRO CB C 2 32.200 31.713 0.487 1 1 2028 . 3 2 1 A 3 3 LEU H H 3 8.510 8.115 0.395 1 1 2029 . 3 2 1 A 3 3 LEU C C 3 177.700 176.721 0.979 1 1 2030 . 3 2 1 A 3 3 LEU CA C 3 55.300 55.828 -0.528 1 1 2031 . 3 2 1 A 3 3 LEU CB C 3 42.100 43.167 -1.067 1 1 2032 . 3 2 1 A 3 3 LEU N N 3 121.400 118.771 2.629 1 1 2033 . 3 2 1 A 4 4 GLY H H 4 8.190 6.853 1.337 1 1 2034 . 3 2 1 A 4 4 GLY C C 4 172.900 171.403 1.497 1 1 2035 . 3 2 1 A 4 4 GLY CA C 4 45.200 45.514 -0.314 1 1 2036 . 3 2 1 A 4 4 GLY N N 4 109.400 107.234 2.166 1 1 2037 . 3 2 1 A 5 5 SER H H 5 7.830 8.584 -0.754 1 1 2038 . 3 2 1 A 5 5 SER CA C 5 55.500 54.879 0.621 1 1 2039 . 3 2 1 A 5 5 SER CB C 5 64.100 64.508 -0.408 1 1 2040 . 3 2 1 A 5 5 SER N N 5 115.400 115.661 -0.261 1 1 2041 . 3 2 1 A 221 221 LYS C C 221 176.800 176.021 0.779 1 1 2042 . 3 2 1 A 221 221 LYS CA C 221 56.100 56.601 -0.501 1 1 2043 . 3 2 1 A 221 221 LYS CB C 221 32.500 33.761 -1.261 1 1 2044 . 3 2 1 A 222 222 ILE H H 222 7.630 8.176 -0.546 1 1 2045 . 3 2 1 A 222 222 ILE C C 222 175.800 176.179 -0.379 1 1 2046 . 3 2 1 A 222 222 ILE CA C 222 61.300 61.751 -0.451 1 1 2047 . 3 2 1 A 222 222 ILE CB C 222 38.500 38.847 -0.347 1 1 2048 . 3 2 1 A 222 222 ILE N N 222 118.900 122.567 -3.667 1 1 2049 . 3 2 1 A 223 223 LYS H H 223 8.080 8.515 -0.435 1 1 2050 . 3 2 1 A 223 223 LYS CA C 223 54.300 55.038 -0.738 1 1 2051 . 3 2 1 A 223 223 LYS CB C 223 32.400 31.639 0.761 1 1 2052 . 3 2 1 A 223 223 LYS N N 223 125.500 129.490 -3.990 1 1 2053 . 3 2 1 A 224 224 PRO C C 224 176.700 176.408 0.292 1 1 2054 . 3 2 1 A 224 224 PRO CA C 224 63.400 62.244 1.156 1 1 2055 . 3 2 1 A 224 224 PRO CB C 224 31.800 33.159 -1.359 1 1 2056 . 3 2 1 A 225 225 HIS H H 225 8.330 8.286 0.044 1 1 2057 . 3 2 1 A 225 225 HIS C C 225 175.000 175.238 -0.238 1 1 2058 . 3 2 1 A 225 225 HIS CA C 225 56.100 56.389 -0.289 1 1 2059 . 3 2 1 A 225 225 HIS CB C 225 30.300 30.256 0.044 1 1 2060 . 3 2 1 A 225 225 HIS N N 225 119.000 119.001 -0.001 1 1 2061 . 3 2 1 A 226 226 LEU H H 226 8.030 8.394 -0.364 1 1 2062 . 3 2 1 A 226 226 LEU C C 226 176.800 176.917 -0.117 1 1 2063 . 3 2 1 A 226 226 LEU CA C 226 55.000 54.239 0.761 1 1 2064 . 3 2 1 A 226 226 LEU CB C 226 42.300 42.445 -0.145 1 1 2065 . 3 2 1 A 226 226 LEU N N 226 123.200 121.099 2.101 1 1 2066 . 3 2 1 A 227 227 MET H H 227 8.280 7.882 0.398 1 1 2067 . 3 2 1 A 227 227 MET CA C 227 55.300 54.559 0.741 1 1 2068 . 3 2 1 A 227 227 MET CB C 227 32.900 31.154 1.746 1 1 1 . 4 1 1 A 2 2 PRO C C 2 176.900 176.331 0.569 1 1 2 . 4 1 1 A 2 2 PRO CA C 2 63.000 62.368 0.632 1 1 3 . 4 1 1 A 2 2 PRO CB C 2 32.100 29.069 3.031 1 1 4 . 4 1 1 A 3 3 LEU H H 3 8.510 8.532 -0.022 1 1 5 . 4 1 1 A 3 3 LEU HA H 3 4.320 4.547 -0.227 1 1 10 . 4 1 1 A 3 3 LEU C C 3 177.900 178.183 -0.283 1 1 11 . 4 1 1 A 3 3 LEU CA C 3 55.500 54.135 1.365 1 1 12 . 4 1 1 A 3 3 LEU CB C 3 42.000 44.045 -2.045 1 1 13 . 4 1 1 A 3 3 LEU N N 3 122.400 123.676 -1.276 1 1 14 . 4 1 1 A 4 4 GLY H H 4 8.450 8.063 0.387 1 1 15 . 4 1 1 A 4 4 GLY HA2 H 4 3.900 3.935 -0.035 1 1 16 . 4 1 1 A 4 4 GLY HA3 H 4 4.020 3.935 0.085 1 1 17 . 4 1 1 A 4 4 GLY C C 4 173.800 174.188 -0.388 1 1 18 . 4 1 1 A 4 4 GLY CA C 4 45.100 45.347 -0.247 1 1 19 . 4 1 1 A 4 4 GLY N N 4 110.200 108.230 1.970 1 1 20 . 4 1 1 A 5 5 SER H H 5 8.040 7.634 0.406 1 1 21 . 4 1 1 A 5 5 SER HA H 5 4.010 5.040 -1.030 1 1 23 . 4 1 1 A 5 5 SER CA C 5 56.300 55.213 1.087 1 1 24 . 4 1 1 A 5 5 SER CB C 5 63.300 64.566 -1.266 1 1 25 . 4 1 1 A 5 5 SER N N 5 116.900 113.414 3.486 1 1 26 . 4 1 1 A 6 6 PRO HA H 6 4.450 4.480 -0.030 1 1 29 . 4 1 1 A 6 6 PRO C C 6 176.700 176.616 0.084 1 1 30 . 4 1 1 A 6 6 PRO CA C 6 63.000 62.667 0.333 1 1 31 . 4 1 1 A 6 6 PRO CB C 6 32.000 33.081 -1.081 1 1 32 . 4 1 1 A 7 7 ALA H H 7 8.560 8.535 0.025 1 1 33 . 4 1 1 A 7 7 ALA HA H 7 4.100 4.155 -0.055 1 1 37 . 4 1 1 A 7 7 ALA C C 7 176.600 177.247 -0.647 1 1 38 . 4 1 1 A 7 7 ALA CA C 7 53.400 54.187 -0.787 1 1 39 . 4 1 1 A 7 7 ALA CB C 7 19.600 19.101 0.499 1 1 40 . 4 1 1 A 7 7 ALA N N 7 123.600 122.269 1.331 1 1 41 . 4 1 1 A 8 8 ALA H H 8 7.410 7.421 -0.011 1 1 42 . 4 1 1 A 8 8 ALA HA H 8 4.680 5.571 -0.891 1 1 46 . 4 1 1 A 8 8 ALA C C 8 175.900 176.287 -0.387 1 1 47 . 4 1 1 A 8 8 ALA CA C 8 50.100 50.477 -0.377 1 1 48 . 4 1 1 A 8 8 ALA CB C 8 21.300 20.825 0.475 1 1 49 . 4 1 1 A 8 8 ALA N N 8 116.200 119.556 -3.356 1 1 50 . 4 1 1 A 9 9 THR H H 9 8.670 9.525 -0.855 1 1 51 . 4 1 1 A 9 9 THR HA H 9 4.330 5.103 -0.773 1 1 56 . 4 1 1 A 9 9 THR C C 9 174.400 173.807 0.593 1 1 57 . 4 1 1 A 9 9 THR CA C 9 62.600 61.630 0.970 1 1 58 . 4 1 1 A 9 9 THR CB C 9 70.100 70.146 -0.046 1 1 59 . 4 1 1 A 9 9 THR N N 9 119.900 117.604 2.296 1 1 60 . 4 1 1 A 10 10 THR H H 10 9.000 8.860 0.140 1 1 61 . 4 1 1 A 10 10 THR HA H 10 4.580 5.524 -0.944 1 1 66 . 4 1 1 A 10 10 THR C C 10 174.100 173.820 0.280 1 1 67 . 4 1 1 A 10 10 THR CA C 10 63.900 60.555 3.345 1 1 68 . 4 1 1 A 10 10 THR CB C 10 68.500 70.034 -1.534 1 1 69 . 4 1 1 A 10 10 THR N N 10 125.900 119.246 6.654 1 1 70 . 4 1 1 A 11 11 LEU H H 11 9.010 8.742 0.268 1 1 71 . 4 1 1 A 11 11 LEU HA H 11 4.970 4.651 0.319 1 1 77 . 4 1 1 A 11 11 LEU CA C 11 50.200 52.620 -2.420 1 1 78 . 4 1 1 A 11 11 LEU CB C 11 41.700 42.421 -0.721 1 1 79 . 4 1 1 A 11 11 LEU N N 11 127.200 124.190 3.010 1 1 80 . 4 1 1 A 12 12 PRO HA H 12 4.520 4.482 0.038 1 1 83 . 4 1 1 A 12 12 PRO C C 12 175.300 175.666 -0.366 1 1 84 . 4 1 1 A 12 12 PRO CA C 12 63.900 64.005 -0.105 1 1 85 . 4 1 1 A 12 12 PRO CB C 12 32.700 32.033 0.667 1 1 86 . 4 1 1 A 13 13 ASP H H 13 7.110 7.684 -0.574 1 1 87 . 4 1 1 A 13 13 ASP HA H 13 4.420 4.898 -0.478 1 1 90 . 4 1 1 A 13 13 ASP C C 13 175.400 176.242 -0.842 1 1 91 . 4 1 1 A 13 13 ASP CA C 13 52.300 53.187 -0.887 1 1 92 . 4 1 1 A 13 13 ASP CB C 13 42.000 44.633 -2.633 1 1 93 . 4 1 1 A 13 13 ASP N N 13 112.100 116.996 -4.896 1 1 94 . 4 1 1 A 14 14 GLY H H 14 9.120 9.117 0.003 1 1 95 . 4 1 1 A 14 14 GLY HA2 H 14 3.610 3.829 -0.219 1 1 96 . 4 1 1 A 14 14 GLY HA3 H 14 4.010 3.841 0.169 1 1 97 . 4 1 1 A 14 14 GLY C C 14 175.100 175.913 -0.813 1 1 98 . 4 1 1 A 14 14 GLY CA C 14 47.400 47.559 -0.159 1 1 99 . 4 1 1 A 14 14 GLY N N 14 106.600 110.675 -4.075 1 1 100 . 4 1 1 A 15 15 ALA H H 15 8.050 8.068 -0.018 1 1 101 . 4 1 1 A 15 15 ALA HA H 15 4.170 4.029 0.141 1 1 105 . 4 1 1 A 15 15 ALA C C 15 180.500 179.745 0.755 1 1 106 . 4 1 1 A 15 15 ALA CA C 15 54.800 54.638 0.162 1 1 107 . 4 1 1 A 15 15 ALA CB C 15 17.600 18.026 -0.426 1 1 108 . 4 1 1 A 15 15 ALA N N 15 125.100 124.599 0.501 1 1 109 . 4 1 1 A 16 16 ALA H H 16 8.260 7.703 0.557 1 1 110 . 4 1 1 A 16 16 ALA HA H 16 4.170 4.188 -0.018 1 1 114 . 4 1 1 A 16 16 ALA C C 16 180.500 179.367 1.133 1 1 115 . 4 1 1 A 16 16 ALA CA C 16 54.500 54.940 -0.440 1 1 116 . 4 1 1 A 16 16 ALA CB C 16 18.600 18.280 0.320 1 1 117 . 4 1 1 A 16 16 ALA N N 16 121.600 119.847 1.753 1 1 118 . 4 1 1 A 17 17 ALA H H 17 7.600 8.181 -0.581 1 1 119 . 4 1 1 A 17 17 ALA HA H 17 3.990 3.922 0.068 1 1 123 . 4 1 1 A 17 17 ALA C C 17 177.200 179.440 -2.240 1 1 124 . 4 1 1 A 17 17 ALA CA C 17 55.400 55.334 0.066 1 1 125 . 4 1 1 A 17 17 ALA CB C 17 18.700 18.157 0.543 1 1 126 . 4 1 1 A 17 17 ALA N N 17 120.600 120.293 0.307 1 1 127 . 4 1 1 A 18 18 GLU H H 18 8.450 7.789 0.661 1 1 128 . 4 1 1 A 18 18 GLU HA H 18 3.790 3.998 -0.208 1 1 132 . 4 1 1 A 18 18 GLU C C 18 178.800 178.888 -0.088 1 1 133 . 4 1 1 A 18 18 GLU CA C 18 59.200 59.155 0.045 1 1 134 . 4 1 1 A 18 18 GLU CB C 18 29.500 29.267 0.233 1 1 135 . 4 1 1 A 18 18 GLU N N 18 117.100 118.462 -1.362 1 1 136 . 4 1 1 A 19 19 SER H H 19 7.920 7.753 0.167 1 1 137 . 4 1 1 A 19 19 SER HA H 19 4.150 4.111 0.039 1 1 139 . 4 1 1 A 19 19 SER C C 19 176.800 176.836 -0.036 1 1 140 . 4 1 1 A 19 19 SER CA C 19 61.300 62.219 -0.919 1 1 141 . 4 1 1 A 19 19 SER CB C 19 62.400 62.903 -0.503 1 1 142 . 4 1 1 A 19 19 SER N N 19 112.800 117.098 -4.298 1 1 143 . 4 1 1 A 20 20 LEU H H 20 7.460 7.582 -0.122 1 1 144 . 4 1 1 A 20 20 LEU HA H 20 4.020 3.892 0.128 1 1 153 . 4 1 1 A 20 20 LEU C C 20 179.200 178.979 0.221 1 1 154 . 4 1 1 A 20 20 LEU CA C 20 58.400 58.041 0.359 1 1 155 . 4 1 1 A 20 20 LEU CB C 20 41.600 41.092 0.508 1 1 156 . 4 1 1 A 20 20 LEU N N 20 123.000 120.005 2.995 1 1 157 . 4 1 1 A 21 21 VAL H H 21 7.980 7.837 0.143 1 1 158 . 4 1 1 A 21 21 VAL HA H 21 3.090 3.449 -0.359 1 1 166 . 4 1 1 A 21 21 VAL C C 21 177.600 177.934 -0.334 1 1 167 . 4 1 1 A 21 21 VAL CA C 21 66.800 66.622 0.178 1 1 168 . 4 1 1 A 21 21 VAL CB C 21 31.600 31.613 -0.013 1 1 169 . 4 1 1 A 21 21 VAL N N 21 119.500 119.923 -0.423 1 1 170 . 4 1 1 A 22 22 GLU H H 22 8.180 8.999 -0.819 1 1 171 . 4 1 1 A 22 22 GLU HA H 22 4.040 3.965 0.075 1 1 174 . 4 1 1 A 22 22 GLU C C 22 178.700 178.173 0.527 1 1 175 . 4 1 1 A 22 22 GLU CA C 22 58.000 59.397 -1.397 1 1 176 . 4 1 1 A 22 22 GLU CB C 22 29.500 29.246 0.254 1 1 177 . 4 1 1 A 22 22 GLU N N 22 114.800 119.585 -4.785 1 1 178 . 4 1 1 A 23 23 SER H H 23 7.570 7.511 0.059 1 1 179 . 4 1 1 A 23 23 SER HA H 23 4.360 4.343 0.017 1 1 182 . 4 1 1 A 23 23 SER C C 23 173.700 173.848 -0.148 1 1 183 . 4 1 1 A 23 23 SER CA C 23 59.800 59.764 0.036 1 1 184 . 4 1 1 A 23 23 SER CB C 23 64.000 63.308 0.692 1 1 185 . 4 1 1 A 23 23 SER N N 23 112.500 115.181 -2.681 1 1 186 . 4 1 1 A 24 24 SER H H 24 7.080 8.769 -1.689 1 1 187 . 4 1 1 A 24 24 SER HA H 24 4.800 4.796 0.004 1 1 190 . 4 1 1 A 24 24 SER C C 24 172.800 174.256 -1.456 1 1 191 . 4 1 1 A 24 24 SER CA C 24 57.200 57.630 -0.430 1 1 192 . 4 1 1 A 24 24 SER CB C 24 65.400 65.910 -0.510 1 1 193 . 4 1 1 A 24 24 SER N N 24 115.400 114.518 0.882 1 1 194 . 4 1 1 A 25 25 GLU H H 25 8.700 8.583 0.117 1 1 195 . 4 1 1 A 25 25 GLU HA H 25 3.970 4.012 -0.042 1 1 199 . 4 1 1 A 25 25 GLU C C 25 175.700 176.769 -1.069 1 1 200 . 4 1 1 A 25 25 GLU CA C 25 59.900 60.145 -0.245 1 1 201 . 4 1 1 A 25 25 GLU CB C 25 30.300 29.506 0.794 1 1 202 . 4 1 1 A 25 25 GLU N N 25 124.500 126.598 -2.098 1 1 203 . 4 1 1 A 26 26 VAL H H 26 7.320 8.001 -0.681 1 1 204 . 4 1 1 A 26 26 VAL HA H 26 5.000 4.697 0.303 1 1 212 . 4 1 1 A 26 26 VAL C C 26 174.300 174.357 -0.057 1 1 213 . 4 1 1 A 26 26 VAL CA C 26 60.500 60.532 -0.032 1 1 214 . 4 1 1 A 26 26 VAL CB C 26 35.700 35.138 0.562 1 1 215 . 4 1 1 A 26 26 VAL N N 26 113.500 119.889 -6.389 1 1 216 . 4 1 1 A 27 27 ALA H H 27 9.130 8.571 0.559 1 1 217 . 4 1 1 A 27 27 ALA HA H 27 4.820 5.152 -0.332 1 1 221 . 4 1 1 A 27 27 ALA C C 27 175.000 176.714 -1.714 1 1 222 . 4 1 1 A 27 27 ALA CA C 27 51.200 51.004 0.196 1 1 223 . 4 1 1 A 27 27 ALA CB C 27 23.000 23.962 -0.962 1 1 224 . 4 1 1 A 27 27 ALA N N 27 127.200 127.722 -0.522 1 1 225 . 4 1 1 A 28 28 VAL H H 28 7.980 8.380 -0.400 1 1 226 . 4 1 1 A 28 28 VAL HA H 28 5.080 4.957 0.123 1 1 234 . 4 1 1 A 28 28 VAL C C 28 174.600 175.110 -0.510 1 1 235 . 4 1 1 A 28 28 VAL CA C 28 60.800 61.655 -0.855 1 1 236 . 4 1 1 A 28 28 VAL CB C 28 34.300 33.683 0.617 1 1 237 . 4 1 1 A 28 28 VAL N N 28 120.100 119.673 0.427 1 1 238 . 4 1 1 A 29 29 ILE H H 29 9.080 9.557 -0.477 1 1 239 . 4 1 1 A 29 29 ILE HA H 29 4.780 5.963 -1.183 1 1 247 . 4 1 1 A 29 29 ILE C C 29 173.300 175.337 -2.037 1 1 248 . 4 1 1 A 29 29 ILE CA C 29 60.000 59.665 0.335 1 1 249 . 4 1 1 A 29 29 ILE CB C 29 40.300 41.025 -0.725 1 1 250 . 4 1 1 A 29 29 ILE N N 29 124.300 127.461 -3.161 1 1 251 . 4 1 1 A 30 30 GLY H H 30 8.610 9.464 -0.854 1 1 252 . 4 1 1 A 30 30 GLY HA2 H 30 1.910 4.097 -2.187 1 1 253 . 4 1 1 A 30 30 GLY HA3 H 30 3.960 4.224 -0.264 1 1 254 . 4 1 1 A 30 30 GLY C C 30 169.300 171.828 -2.528 1 1 255 . 4 1 1 A 30 30 GLY CA C 30 44.500 44.090 0.410 1 1 256 . 4 1 1 A 30 30 GLY N N 30 115.800 114.175 1.625 1 1 257 . 4 1 1 A 31 31 PHE H H 31 8.470 9.382 -0.912 1 1 258 . 4 1 1 A 31 31 PHE HA H 31 4.200 5.452 -1.252 1 1 261 . 4 1 1 A 31 31 PHE C C 31 172.800 175.119 -2.319 1 1 262 . 4 1 1 A 31 31 PHE CA C 31 55.000 56.478 -1.478 1 1 263 . 4 1 1 A 31 31 PHE CB C 31 36.500 40.099 -3.599 1 1 264 . 4 1 1 A 31 31 PHE N N 31 127.800 122.593 5.207 1 1 265 . 4 1 1 A 32 32 PHE H H 32 8.200 8.832 -0.632 1 1 266 . 4 1 1 A 32 32 PHE HA H 32 4.980 5.070 -0.090 1 1 269 . 4 1 1 A 32 32 PHE C C 32 174.400 175.804 -1.404 1 1 270 . 4 1 1 A 32 32 PHE CA C 32 55.700 56.296 -0.596 1 1 271 . 4 1 1 A 32 32 PHE CB C 32 42.900 43.121 -0.221 1 1 272 . 4 1 1 A 32 32 PHE N N 32 116.900 121.040 -4.140 1 1 273 . 4 1 1 A 33 33 LYS H H 33 9.420 8.976 0.444 1 1 274 . 4 1 1 A 33 33 LYS HA H 33 4.020 4.580 -0.560 1 1 279 . 4 1 1 A 33 33 LYS C C 33 176.700 176.173 0.527 1 1 280 . 4 1 1 A 33 33 LYS CA C 33 58.900 57.114 1.786 1 1 281 . 4 1 1 A 33 33 LYS CB C 33 31.900 34.203 -2.303 1 1 282 . 4 1 1 A 33 33 LYS N N 33 124.700 121.607 3.093 1 1 283 . 4 1 1 A 34 34 ASP H H 34 8.920 8.235 0.685 1 1 284 . 4 1 1 A 34 34 ASP HA H 34 5.020 4.939 0.081 1 1 287 . 4 1 1 A 34 34 ASP C C 34 177.800 176.359 1.441 1 1 288 . 4 1 1 A 34 34 ASP CA C 34 51.700 53.255 -1.555 1 1 289 . 4 1 1 A 34 34 ASP CB C 34 41.800 40.941 0.859 1 1 290 . 4 1 1 A 34 34 ASP N N 34 117.300 116.484 0.816 1 1 291 . 4 1 1 A 35 35 VAL H H 35 8.560 8.423 0.137 1 1 292 . 4 1 1 A 35 35 VAL HA H 35 3.790 3.808 -0.018 1 1 300 . 4 1 1 A 35 35 VAL C C 35 174.500 177.162 -2.662 1 1 301 . 4 1 1 A 35 35 VAL CA C 35 63.900 64.580 -0.680 1 1 302 . 4 1 1 A 35 35 VAL CB C 35 30.500 31.669 -1.169 1 1 303 . 4 1 1 A 35 35 VAL N N 35 120.700 122.762 -2.062 1 1 304 . 4 1 1 A 36 36 GLU H H 36 8.250 7.989 0.261 1 1 305 . 4 1 1 A 36 36 GLU HA H 36 4.390 4.286 0.104 1 1 309 . 4 1 1 A 36 36 GLU C C 36 176.600 176.321 0.279 1 1 310 . 4 1 1 A 36 36 GLU CA C 36 54.800 57.871 -3.071 1 1 311 . 4 1 1 A 36 36 GLU CB C 36 29.200 29.915 -0.715 1 1 312 . 4 1 1 A 36 36 GLU N N 36 117.200 119.965 -2.765 1 1 313 . 4 1 1 A 37 37 SER H H 37 7.560 7.855 -0.295 1 1 314 . 4 1 1 A 37 37 SER HA H 37 4.300 4.448 -0.148 1 1 317 . 4 1 1 A 37 37 SER C C 37 174.000 174.977 -0.977 1 1 318 . 4 1 1 A 37 37 SER CA C 37 58.100 57.809 0.291 1 1 319 . 4 1 1 A 37 37 SER CB C 37 65.400 64.425 0.975 1 1 320 . 4 1 1 A 37 37 SER N N 37 116.100 114.719 1.381 1 1 321 . 4 1 1 A 38 38 ASP H H 38 8.920 8.959 -0.039 1 1 322 . 4 1 1 A 38 38 ASP HA H 38 4.290 4.237 0.053 1 1 324 . 4 1 1 A 38 38 ASP C C 38 179.200 178.503 0.697 1 1 325 . 4 1 1 A 38 38 ASP CA C 38 58.100 57.536 0.564 1 1 326 . 4 1 1 A 38 38 ASP CB C 38 40.100 40.192 -0.092 1 1 327 . 4 1 1 A 38 38 ASP N N 38 121.400 122.861 -1.461 1 1 328 . 4 1 1 A 39 39 SER H H 39 8.500 8.160 0.340 1 1 329 . 4 1 1 A 39 39 SER HA H 39 4.050 4.101 -0.051 1 1 331 . 4 1 1 A 39 39 SER C C 39 174.500 176.259 -1.759 1 1 332 . 4 1 1 A 39 39 SER CA C 39 61.500 61.871 -0.371 1 1 333 . 4 1 1 A 39 39 SER CB C 39 62.400 63.053 -0.653 1 1 334 . 4 1 1 A 39 39 SER N N 39 114.200 116.352 -2.152 1 1 335 . 4 1 1 A 40 40 ALA H H 40 6.970 7.670 -0.700 1 1 336 . 4 1 1 A 40 40 ALA HA H 40 2.380 3.067 -0.687 1 1 340 . 4 1 1 A 40 40 ALA C C 40 179.600 179.843 -0.243 1 1 341 . 4 1 1 A 40 40 ALA CA C 40 54.500 54.839 -0.339 1 1 342 . 4 1 1 A 40 40 ALA CB C 40 18.600 18.112 0.488 1 1 343 . 4 1 1 A 40 40 ALA N N 40 125.700 123.103 2.597 1 1 344 . 4 1 1 A 41 41 LYS H H 41 8.040 7.623 0.417 1 1 345 . 4 1 1 A 41 41 LYS HA H 41 3.830 3.879 -0.049 1 1 350 . 4 1 1 A 41 41 LYS C C 41 180.500 179.577 0.923 1 1 351 . 4 1 1 A 41 41 LYS CA C 41 60.000 59.372 0.628 1 1 352 . 4 1 1 A 41 41 LYS CB C 41 31.900 32.259 -0.359 1 1 353 . 4 1 1 A 41 41 LYS N N 41 115.800 117.171 -1.371 1 1 354 . 4 1 1 A 42 42 GLN H H 42 7.870 7.898 -0.028 1 1 355 . 4 1 1 A 42 42 GLN HA H 42 3.780 4.007 -0.227 1 1 359 . 4 1 1 A 42 42 GLN C C 42 177.800 178.569 -0.769 1 1 360 . 4 1 1 A 42 42 GLN CA C 42 58.600 58.963 -0.363 1 1 361 . 4 1 1 A 42 42 GLN CB C 42 28.600 28.300 0.300 1 1 362 . 4 1 1 A 42 42 GLN N N 42 119.100 119.280 -0.180 1 1 363 . 4 1 1 A 43 43 PHE H H 43 7.710 8.182 -0.472 1 1 364 . 4 1 1 A 43 43 PHE HA H 43 3.850 3.952 -0.102 1 1 367 . 4 1 1 A 43 43 PHE C C 43 176.200 177.096 -0.896 1 1 368 . 4 1 1 A 43 43 PHE CA C 43 61.300 60.836 0.464 1 1 369 . 4 1 1 A 43 43 PHE CB C 43 39.000 39.111 -0.111 1 1 370 . 4 1 1 A 43 43 PHE N N 43 120.000 120.668 -0.668 1 1 371 . 4 1 1 A 44 44 LEU H H 44 8.360 7.905 0.455 1 1 372 . 4 1 1 A 44 44 LEU HA H 44 3.580 3.567 0.013 1 1 378 . 4 1 1 A 44 44 LEU C C 44 179.400 179.051 0.349 1 1 379 . 4 1 1 A 44 44 LEU CA C 44 57.400 57.649 -0.249 1 1 380 . 4 1 1 A 44 44 LEU CB C 44 40.900 41.566 -0.666 1 1 381 . 4 1 1 A 44 44 LEU N N 44 119.500 119.583 -0.083 1 1 382 . 4 1 1 A 45 45 GLN H H 45 7.660 8.155 -0.495 1 1 383 . 4 1 1 A 45 45 GLN HA H 45 3.900 4.013 -0.113 1 1 388 . 4 1 1 A 45 45 GLN C C 45 179.300 178.516 0.784 1 1 389 . 4 1 1 A 45 45 GLN CA C 45 58.700 58.662 0.038 1 1 390 . 4 1 1 A 45 45 GLN CB C 45 28.700 28.093 0.607 1 1 391 . 4 1 1 A 45 45 GLN N N 45 117.700 118.038 -0.338 1 1 392 . 4 1 1 A 46 46 ALA H H 46 7.630 7.658 -0.028 1 1 393 . 4 1 1 A 46 46 ALA HA H 46 3.740 4.005 -0.265 1 1 397 . 4 1 1 A 46 46 ALA C C 46 177.100 179.089 -1.989 1 1 398 . 4 1 1 A 46 46 ALA CA C 46 55.300 54.792 0.508 1 1 399 . 4 1 1 A 46 46 ALA CB C 46 17.500 18.325 -0.825 1 1 400 . 4 1 1 A 46 46 ALA N N 46 123.700 122.422 1.278 1 1 401 . 4 1 1 A 47 47 ALA H H 47 7.330 7.391 -0.061 1 1 402 . 4 1 1 A 47 47 ALA HA H 47 1.790 2.282 -0.492 1 1 406 . 4 1 1 A 47 47 ALA C C 47 178.600 179.198 -0.598 1 1 407 . 4 1 1 A 47 47 ALA CA C 47 53.200 54.344 -1.144 1 1 408 . 4 1 1 A 47 47 ALA CB C 47 17.700 17.605 0.095 1 1 409 . 4 1 1 A 47 47 ALA N N 47 118.100 119.197 -1.097 1 1 410 . 4 1 1 A 48 48 GLU H H 48 7.020 7.282 -0.262 1 1 411 . 4 1 1 A 48 48 GLU HA H 48 3.840 3.983 -0.143 1 1 415 . 4 1 1 A 48 48 GLU C C 48 177.100 178.708 -1.608 1 1 416 . 4 1 1 A 48 48 GLU CA C 48 57.300 58.937 -1.637 1 1 417 . 4 1 1 A 48 48 GLU CB C 48 29.900 29.338 0.562 1 1 418 . 4 1 1 A 48 48 GLU N N 48 112.900 118.029 -5.129 1 1 419 . 4 1 1 A 49 49 ALA H H 49 7.250 7.637 -0.387 1 1 420 . 4 1 1 A 49 49 ALA HA H 49 4.250 4.094 0.156 1 1 424 . 4 1 1 A 49 49 ALA C C 49 176.900 177.485 -0.585 1 1 425 . 4 1 1 A 49 49 ALA CA C 49 52.600 54.278 -1.678 1 1 426 . 4 1 1 A 49 49 ALA CB C 49 20.100 18.626 1.474 1 1 427 . 4 1 1 A 49 49 ALA N N 49 119.800 121.169 -1.369 1 1 428 . 4 1 1 A 50 50 ILE H H 50 7.030 7.127 -0.097 1 1 429 . 4 1 1 A 50 50 ILE HA H 50 4.370 4.584 -0.214 1 1 439 . 4 1 1 A 50 50 ILE C C 50 174.300 175.216 -0.916 1 1 440 . 4 1 1 A 50 50 ILE CA C 50 59.700 59.393 0.307 1 1 441 . 4 1 1 A 50 50 ILE CB C 50 39.400 40.636 -1.236 1 1 442 . 4 1 1 A 50 50 ILE N N 50 119.300 114.742 4.558 1 1 443 . 4 1 1 A 51 51 ASP H H 51 8.390 8.842 -0.452 1 1 444 . 4 1 1 A 51 51 ASP HA H 51 4.830 5.099 -0.269 1 1 446 . 4 1 1 A 51 51 ASP C C 51 177.500 177.373 0.127 1 1 447 . 4 1 1 A 51 51 ASP CA C 51 54.300 53.099 1.201 1 1 448 . 4 1 1 A 51 51 ASP CB C 51 42.200 40.712 1.488 1 1 449 . 4 1 1 A 51 51 ASP N N 51 123.200 123.977 -0.777 1 1 450 . 4 1 1 A 52 52 ASP H H 52 8.530 8.143 0.387 1 1 451 . 4 1 1 A 52 52 ASP HA H 52 4.570 4.468 0.102 1 1 454 . 4 1 1 A 52 52 ASP C C 52 175.000 176.255 -1.255 1 1 455 . 4 1 1 A 52 52 ASP CA C 52 54.600 57.182 -2.582 1 1 456 . 4 1 1 A 52 52 ASP CB C 52 40.200 41.339 -1.139 1 1 457 . 4 1 1 A 52 52 ASP N N 52 116.000 118.833 -2.833 1 1 458 . 4 1 1 A 53 53 ILE H H 53 7.150 7.692 -0.542 1 1 459 . 4 1 1 A 53 53 ILE HA H 53 4.570 4.489 0.081 1 1 469 . 4 1 1 A 53 53 ILE CA C 53 57.700 57.010 0.690 1 1 470 . 4 1 1 A 53 53 ILE CB C 53 42.000 41.004 0.996 1 1 471 . 4 1 1 A 53 53 ILE N N 53 119.300 117.619 1.681 1 1 472 . 4 1 1 A 54 54 PRO C C 54 175.100 175.217 -0.117 1 1 473 . 4 1 1 A 54 54 PRO CA C 54 62.700 62.810 -0.110 1 1 474 . 4 1 1 A 54 54 PRO CB C 54 32.500 32.245 0.255 1 1 475 . 4 1 1 A 55 55 PHE H H 55 8.780 8.366 0.414 1 1 476 . 4 1 1 A 55 55 PHE HA H 55 5.840 5.833 0.007 1 1 479 . 4 1 1 A 55 55 PHE C C 55 176.900 175.191 1.709 1 1 480 . 4 1 1 A 55 55 PHE CA C 55 55.600 55.962 -0.362 1 1 481 . 4 1 1 A 55 55 PHE CB C 55 42.000 42.946 -0.946 1 1 482 . 4 1 1 A 55 55 PHE N N 55 119.900 121.821 -1.921 1 1 483 . 4 1 1 A 56 56 GLY H H 56 9.510 9.566 -0.056 1 1 484 . 4 1 1 A 56 56 GLY HA2 H 56 3.350 4.269 -0.919 1 1 485 . 4 1 1 A 56 56 GLY HA3 H 56 5.620 4.322 1.298 1 1 486 . 4 1 1 A 56 56 GLY C C 56 170.800 172.646 -1.846 1 1 487 . 4 1 1 A 56 56 GLY CA C 56 43.400 43.805 -0.405 1 1 488 . 4 1 1 A 56 56 GLY N N 56 109.000 109.213 -0.213 1 1 489 . 4 1 1 A 57 57 ILE H H 57 8.930 8.533 0.397 1 1 490 . 4 1 1 A 57 57 ILE HA H 57 5.570 5.402 0.168 1 1 499 . 4 1 1 A 57 57 ILE C C 57 172.000 174.324 -2.324 1 1 500 . 4 1 1 A 57 57 ILE CA C 57 58.400 59.117 -0.717 1 1 501 . 4 1 1 A 57 57 ILE CB C 57 42.900 42.706 0.194 1 1 502 . 4 1 1 A 57 57 ILE N N 57 120.800 120.831 -0.031 1 1 503 . 4 1 1 A 58 58 THR H H 58 8.660 8.731 -0.071 1 1 504 . 4 1 1 A 58 58 THR HA H 58 4.960 5.178 -0.218 1 1 509 . 4 1 1 A 58 58 THR C C 58 170.000 174.151 -4.151 1 1 510 . 4 1 1 A 58 58 THR CA C 58 60.100 60.116 -0.016 1 1 511 . 4 1 1 A 58 58 THR CB C 58 72.100 70.726 1.374 1 1 512 . 4 1 1 A 58 58 THR N N 58 121.200 114.329 6.871 1 1 513 . 4 1 1 A 59 59 SER H H 59 8.710 8.656 0.054 1 1 514 . 4 1 1 A 59 59 SER HA H 59 5.200 4.837 0.363 1 1 517 . 4 1 1 A 59 59 SER C C 59 173.900 174.779 -0.879 1 1 518 . 4 1 1 A 59 59 SER CA C 59 56.700 58.292 -1.592 1 1 519 . 4 1 1 A 59 59 SER CB C 59 65.700 65.089 0.611 1 1 520 . 4 1 1 A 59 59 SER N N 59 119.900 115.245 4.655 1 1 521 . 4 1 1 A 60 60 ASN H H 60 8.030 7.939 0.091 1 1 522 . 4 1 1 A 60 60 ASN HA H 60 4.790 4.691 0.099 1 1 524 . 4 1 1 A 60 60 ASN CA C 60 53.200 53.973 -0.773 1 1 525 . 4 1 1 A 60 60 ASN CB C 60 39.500 40.684 -1.184 1 1 526 . 4 1 1 A 60 60 ASN N N 60 122.200 120.538 1.662 1 1 528 . 4 1 1 A 61 61 SER C C 61 175.900 176.422 -0.522 1 1 529 . 4 1 1 A 61 61 SER CA C 61 62.500 61.862 0.638 1 1 530 . 4 1 1 A 61 61 SER CB C 61 62.500 63.064 -0.564 1 1 531 . 4 1 1 A 62 62 ASP H H 62 8.630 8.309 0.321 1 1 532 . 4 1 1 A 62 62 ASP HA H 62 4.530 4.473 0.057 1 1 535 . 4 1 1 A 62 62 ASP C C 62 179.000 178.889 0.111 1 1 536 . 4 1 1 A 62 62 ASP CA C 62 57.400 57.290 0.110 1 1 537 . 4 1 1 A 62 62 ASP CB C 62 40.000 41.754 -1.754 1 1 538 . 4 1 1 A 62 62 ASP N N 62 122.200 122.036 0.164 1 1 539 . 4 1 1 A 63 63 VAL H H 63 8.030 7.848 0.182 1 1 540 . 4 1 1 A 63 63 VAL HA H 63 3.750 3.692 0.058 1 1 548 . 4 1 1 A 63 63 VAL C C 63 177.900 178.316 -0.416 1 1 549 . 4 1 1 A 63 63 VAL CA C 63 65.800 66.624 -0.824 1 1 550 . 4 1 1 A 63 63 VAL CB C 63 30.700 31.786 -1.086 1 1 551 . 4 1 1 A 63 63 VAL N N 63 122.400 119.825 2.575 1 1 552 . 4 1 1 A 64 64 PHE H H 64 7.980 8.279 -0.299 1 1 553 . 4 1 1 A 64 64 PHE HA H 64 4.200 4.528 -0.328 1 1 556 . 4 1 1 A 64 64 PHE C C 64 178.800 178.543 0.257 1 1 557 . 4 1 1 A 64 64 PHE CA C 64 61.700 60.355 1.345 1 1 558 . 4 1 1 A 64 64 PHE CB C 64 37.500 38.686 -1.186 1 1 559 . 4 1 1 A 64 64 PHE N N 64 120.100 119.531 0.569 1 1 560 . 4 1 1 A 65 65 SER H H 65 8.090 8.125 -0.035 1 1 561 . 4 1 1 A 65 65 SER HA H 65 4.210 4.261 -0.051 1 1 563 . 4 1 1 A 65 65 SER C C 65 177.800 176.052 1.748 1 1 564 . 4 1 1 A 65 65 SER CA C 65 61.600 61.908 -0.308 1 1 565 . 4 1 1 A 65 65 SER CB C 65 62.300 62.830 -0.530 1 1 566 . 4 1 1 A 65 65 SER N N 65 112.100 115.462 -3.362 1 1 567 . 4 1 1 A 66 66 LYS H H 66 7.650 7.893 -0.243 1 1 568 . 4 1 1 A 66 66 LYS HA H 66 3.870 4.126 -0.256 1 1 572 . 4 1 1 A 66 66 LYS C C 66 176.700 177.965 -1.265 1 1 573 . 4 1 1 A 66 66 LYS CA C 66 58.900 59.251 -0.351 1 1 574 . 4 1 1 A 66 66 LYS CB C 66 32.700 32.180 0.520 1 1 575 . 4 1 1 A 66 66 LYS N N 66 124.100 122.634 1.466 1 1 576 . 4 1 1 A 67 67 TYR H H 67 7.040 7.682 -0.642 1 1 577 . 4 1 1 A 67 67 TYR HA H 67 4.640 4.629 0.011 1 1 580 . 4 1 1 A 67 67 TYR C C 67 173.600 174.735 -1.135 1 1 581 . 4 1 1 A 67 67 TYR CA C 67 58.400 57.775 0.625 1 1 582 . 4 1 1 A 67 67 TYR CB C 67 37.700 39.253 -1.553 1 1 583 . 4 1 1 A 67 67 TYR N N 67 113.800 114.595 -0.795 1 1 584 . 4 1 1 A 68 68 GLN H H 68 7.850 8.042 -0.192 1 1 585 . 4 1 1 A 68 68 GLN HA H 68 3.830 3.850 -0.020 1 1 588 . 4 1 1 A 68 68 GLN C C 68 174.700 174.193 0.507 1 1 589 . 4 1 1 A 68 68 GLN CA C 68 57.400 57.035 0.365 1 1 590 . 4 1 1 A 68 68 GLN CB C 68 25.000 26.581 -1.581 1 1 591 . 4 1 1 A 68 68 GLN N N 68 113.700 117.404 -3.704 1 1 592 . 4 1 1 A 69 69 LEU H H 69 8.070 8.471 -0.401 1 1 593 . 4 1 1 A 69 69 LEU HA H 69 4.530 5.013 -0.483 1 1 602 . 4 1 1 A 69 69 LEU C C 69 176.800 175.901 0.899 1 1 603 . 4 1 1 A 69 69 LEU CA C 69 54.900 53.647 1.253 1 1 604 . 4 1 1 A 69 69 LEU CB C 69 43.200 46.117 -2.917 1 1 605 . 4 1 1 A 69 69 LEU N N 69 120.800 118.739 2.061 1 1 606 . 4 1 1 A 70 70 ASP H H 70 8.580 8.972 -0.392 1 1 607 . 4 1 1 A 70 70 ASP HA H 70 4.650 4.750 -0.100 1 1 610 . 4 1 1 A 70 70 ASP C C 70 174.800 174.915 -0.115 1 1 611 . 4 1 1 A 70 70 ASP CA C 70 53.200 53.836 -0.636 1 1 612 . 4 1 1 A 70 70 ASP CB C 70 41.600 42.184 -0.584 1 1 613 . 4 1 1 A 70 70 ASP N N 70 120.400 120.366 0.034 1 1 614 . 4 1 1 A 71 71 LYS H H 71 7.720 7.733 -0.013 1 1 615 . 4 1 1 A 71 71 LYS HA H 71 4.550 4.758 -0.208 1 1 619 . 4 1 1 A 71 71 LYS C C 71 173.100 175.036 -1.936 1 1 620 . 4 1 1 A 71 71 LYS CA C 71 54.300 54.644 -0.344 1 1 621 . 4 1 1 A 71 71 LYS CB C 71 34.100 35.578 -1.478 1 1 622 . 4 1 1 A 71 71 LYS N N 71 117.300 116.097 1.203 1 1 623 . 4 1 1 A 72 72 ASP H H 72 7.780 8.709 -0.929 1 1 624 . 4 1 1 A 72 72 ASP HA H 72 4.650 4.617 0.033 1 1 627 . 4 1 1 A 72 72 ASP C C 72 177.600 176.162 1.438 1 1 628 . 4 1 1 A 72 72 ASP CA C 72 54.500 55.079 -0.579 1 1 629 . 4 1 1 A 72 72 ASP CB C 72 41.500 41.314 0.186 1 1 630 . 4 1 1 A 72 72 ASP N N 72 116.900 122.352 -5.452 1 1 631 . 4 1 1 A 73 73 GLY H H 73 8.660 8.472 0.188 1 1 632 . 4 1 1 A 73 73 GLY HA2 H 73 3.890 4.045 -0.155 1 1 633 . 4 1 1 A 73 73 GLY C C 73 169.700 172.427 -2.727 1 1 634 . 4 1 1 A 73 73 GLY CA C 73 45.500 44.629 0.871 1 1 635 . 4 1 1 A 73 73 GLY N N 73 107.400 108.102 -0.702 1 1 636 . 4 1 1 A 74 74 VAL H H 74 8.490 8.298 0.192 1 1 637 . 4 1 1 A 74 74 VAL HA H 74 4.840 5.037 -0.197 1 1 642 . 4 1 1 A 74 74 VAL C C 74 173.500 175.387 -1.887 1 1 643 . 4 1 1 A 74 74 VAL CA C 74 61.300 60.610 0.690 1 1 644 . 4 1 1 A 74 74 VAL CB C 74 35.500 34.140 1.360 1 1 645 . 4 1 1 A 74 74 VAL N N 74 117.900 121.188 -3.288 1 1 646 . 4 1 1 A 75 75 VAL H H 75 8.930 9.698 -0.768 1 1 647 . 4 1 1 A 75 75 VAL HA H 75 4.580 5.272 -0.692 1 1 655 . 4 1 1 A 75 75 VAL C C 75 172.700 173.792 -1.092 1 1 656 . 4 1 1 A 75 75 VAL CA C 75 61.100 60.451 0.649 1 1 657 . 4 1 1 A 75 75 VAL CB C 75 35.600 35.964 -0.364 1 1 658 . 4 1 1 A 75 75 VAL N N 75 126.900 126.732 0.168 1 1 659 . 4 1 1 A 76 76 LEU H H 76 8.690 8.593 0.097 1 1 660 . 4 1 1 A 76 76 LEU HA H 76 4.980 5.047 -0.067 1 1 666 . 4 1 1 A 76 76 LEU C C 76 173.400 174.441 -1.041 1 1 667 . 4 1 1 A 76 76 LEU CA C 76 54.200 53.541 0.659 1 1 668 . 4 1 1 A 76 76 LEU CB C 76 46.000 44.633 1.367 1 1 669 . 4 1 1 A 76 76 LEU N N 76 128.000 129.181 -1.181 1 1 670 . 4 1 1 A 77 77 PHE H H 77 9.600 9.735 -0.135 1 1 671 . 4 1 1 A 77 77 PHE HA H 77 4.930 5.641 -0.711 1 1 674 . 4 1 1 A 77 77 PHE C C 77 173.800 174.396 -0.596 1 1 675 . 4 1 1 A 77 77 PHE CA C 77 56.800 56.913 -0.113 1 1 676 . 4 1 1 A 77 77 PHE CB C 77 42.100 40.594 1.506 1 1 677 . 4 1 1 A 77 77 PHE N N 77 126.500 126.238 0.262 1 1 678 . 4 1 1 A 78 78 LYS H H 78 8.410 8.865 -0.455 1 1 679 . 4 1 1 A 78 78 LYS HA H 78 5.410 4.897 0.513 1 1 684 . 4 1 1 A 78 78 LYS C C 78 176.600 176.104 0.496 1 1 685 . 4 1 1 A 78 78 LYS CA C 78 53.500 54.327 -0.827 1 1 686 . 4 1 1 A 78 78 LYS CB C 78 34.600 36.214 -1.614 1 1 687 . 4 1 1 A 78 78 LYS N N 78 115.800 121.961 -6.161 1 1 688 . 4 1 1 A 79 79 LYS H H 79 8.010 8.635 -0.625 1 1 689 . 4 1 1 A 79 79 LYS HA H 79 4.370 4.155 0.215 1 1 693 . 4 1 1 A 79 79 LYS C C 79 175.000 176.163 -1.163 1 1 694 . 4 1 1 A 79 79 LYS CA C 79 56.000 58.535 -2.535 1 1 695 . 4 1 1 A 79 79 LYS CB C 79 31.900 32.724 -0.824 1 1 696 . 4 1 1 A 79 79 LYS N N 79 121.400 123.648 -2.248 1 1 697 . 4 1 1 A 80 80 PHE H H 80 6.620 7.659 -1.039 1 1 698 . 4 1 1 A 80 80 PHE HA H 80 4.880 4.943 -0.063 1 1 700 . 4 1 1 A 80 80 PHE C C 80 174.000 174.938 -0.938 1 1 701 . 4 1 1 A 80 80 PHE CA C 80 54.400 56.020 -1.620 1 1 702 . 4 1 1 A 80 80 PHE CB C 80 40.400 41.520 -1.120 1 1 703 . 4 1 1 A 80 80 PHE N N 80 113.500 113.524 -0.024 1 1 704 . 4 1 1 A 81 81 ASP H H 81 8.980 9.049 -0.069 1 1 705 . 4 1 1 A 81 81 ASP HA H 81 4.270 4.505 -0.235 1 1 708 . 4 1 1 A 81 81 ASP C C 81 176.600 176.451 0.149 1 1 709 . 4 1 1 A 81 81 ASP CA C 81 56.000 56.016 -0.016 1 1 710 . 4 1 1 A 81 81 ASP CB C 81 40.200 40.061 0.139 1 1 711 . 4 1 1 A 81 81 ASP N N 81 117.700 118.697 -0.997 1 1 712 . 4 1 1 A 82 82 GLU H H 82 10.320 8.904 1.416 1 1 713 . 4 1 1 A 82 82 GLU HA H 82 4.340 4.258 0.082 1 1 716 . 4 1 1 A 82 82 GLU C C 82 178.700 176.786 1.914 1 1 717 . 4 1 1 A 82 82 GLU CA C 82 58.200 57.984 0.216 1 1 718 . 4 1 1 A 82 82 GLU CB C 82 28.600 30.587 -1.987 1 1 719 . 4 1 1 A 82 82 GLU N N 82 123.900 124.874 -0.974 1 1 720 . 4 1 1 A 83 83 GLY H H 83 7.780 8.633 -0.853 1 1 721 . 4 1 1 A 83 83 GLY HA2 H 83 4.150 3.950 0.200 1 1 722 . 4 1 1 A 83 83 GLY HA3 H 83 4.290 3.973 0.317 1 1 723 . 4 1 1 A 83 83 GLY C C 83 174.400 173.411 0.989 1 1 724 . 4 1 1 A 83 83 GLY CA C 83 46.600 45.740 0.860 1 1 725 . 4 1 1 A 83 83 GLY N N 83 109.200 108.707 0.493 1 1 726 . 4 1 1 A 84 84 ARG H H 84 7.200 7.748 -0.548 1 1 727 . 4 1 1 A 84 84 ARG HA H 84 5.210 5.780 -0.570 1 1 731 . 4 1 1 A 84 84 ARG C C 84 174.000 174.067 -0.067 1 1 732 . 4 1 1 A 84 84 ARG CA C 84 55.000 54.358 0.642 1 1 733 . 4 1 1 A 84 84 ARG CB C 84 32.500 33.082 -0.582 1 1 734 . 4 1 1 A 84 84 ARG N N 84 121.000 116.003 4.997 1 1 735 . 4 1 1 A 85 85 ASN H H 85 9.270 8.855 0.415 1 1 736 . 4 1 1 A 85 85 ASN HA H 85 5.000 5.229 -0.229 1 1 739 . 4 1 1 A 85 85 ASN C C 85 172.900 174.336 -1.436 1 1 740 . 4 1 1 A 85 85 ASN CA C 85 53.800 52.031 1.769 1 1 741 . 4 1 1 A 85 85 ASN CB C 85 43.600 40.069 3.531 1 1 742 . 4 1 1 A 85 85 ASN N N 85 121.600 121.001 0.599 1 1 743 . 4 1 1 A 86 86 ASN H H 86 9.150 8.779 0.371 1 1 744 . 4 1 1 A 86 86 ASN HA H 86 5.000 5.492 -0.492 1 1 746 . 4 1 1 A 86 86 ASN C C 86 174.400 175.590 -1.190 1 1 747 . 4 1 1 A 86 86 ASN CA C 86 52.400 53.186 -0.786 1 1 748 . 4 1 1 A 86 86 ASN CB C 86 38.600 39.019 -0.419 1 1 749 . 4 1 1 A 86 86 ASN N N 86 123.200 123.421 -0.221 1 1 750 . 4 1 1 A 87 87 PHE H H 87 8.380 9.401 -1.021 1 1 751 . 4 1 1 A 87 87 PHE HA H 87 3.460 4.828 -1.368 1 1 754 . 4 1 1 A 87 87 PHE C C 87 174.600 177.008 -2.408 1 1 755 . 4 1 1 A 87 87 PHE CA C 87 59.000 59.384 -0.384 1 1 756 . 4 1 1 A 87 87 PHE CB C 87 39.000 39.326 -0.326 1 1 757 . 4 1 1 A 87 87 PHE N N 87 124.900 122.812 2.088 1 1 758 . 4 1 1 A 88 88 GLU H H 88 7.450 9.152 -1.702 1 1 759 . 4 1 1 A 88 88 GLU HA H 88 4.270 3.996 0.274 1 1 763 . 4 1 1 A 88 88 GLU C C 88 173.900 177.091 -3.191 1 1 764 . 4 1 1 A 88 88 GLU CA C 88 54.800 59.600 -4.800 1 1 765 . 4 1 1 A 88 88 GLU CB C 88 31.700 30.041 1.659 1 1 766 . 4 1 1 A 88 88 GLU N N 88 128.600 124.231 4.369 1 1 767 . 4 1 1 A 89 89 GLY H H 89 7.050 7.512 -0.462 1 1 768 . 4 1 1 A 89 89 GLY HA2 H 89 3.700 4.022 -0.322 1 1 769 . 4 1 1 A 89 89 GLY HA3 H 89 3.840 4.030 -0.190 1 1 770 . 4 1 1 A 89 89 GLY C C 89 172.600 174.913 -2.313 1 1 771 . 4 1 1 A 89 89 GLY CA C 89 43.400 45.532 -2.132 1 1 772 . 4 1 1 A 89 89 GLY N N 89 108.600 107.130 1.470 1 1 773 . 4 1 1 A 90 90 GLU H H 90 8.450 7.953 0.497 1 1 774 . 4 1 1 A 90 90 GLU HA H 90 4.290 4.338 -0.048 1 1 778 . 4 1 1 A 90 90 GLU C C 90 177.400 176.232 1.168 1 1 779 . 4 1 1 A 90 90 GLU CA C 90 56.200 57.072 -0.872 1 1 780 . 4 1 1 A 90 90 GLU CB C 90 29.900 30.402 -0.502 1 1 781 . 4 1 1 A 90 90 GLU N N 90 120.400 121.170 -0.770 1 1 782 . 4 1 1 A 91 91 VAL H H 91 9.140 8.594 0.546 1 1 783 . 4 1 1 A 91 91 VAL HA H 91 3.730 4.660 -0.930 1 1 791 . 4 1 1 A 91 91 VAL C C 91 173.600 175.132 -1.532 1 1 792 . 4 1 1 A 91 91 VAL CA C 91 64.400 61.402 2.998 1 1 793 . 4 1 1 A 91 91 VAL CB C 91 29.800 32.923 -3.123 1 1 794 . 4 1 1 A 91 91 VAL N N 91 126.500 121.379 5.121 1 1 795 . 4 1 1 A 92 92 THR H H 92 7.210 8.865 -1.655 1 1 796 . 4 1 1 A 92 92 THR HA H 92 4.630 4.779 -0.149 1 1 801 . 4 1 1 A 92 92 THR C C 92 174.100 174.830 -0.730 1 1 802 . 4 1 1 A 92 92 THR CA C 92 58.000 61.339 -3.339 1 1 803 . 4 1 1 A 92 92 THR CB C 92 72.400 71.468 0.932 1 1 804 . 4 1 1 A 92 92 THR N N 92 117.900 120.961 -3.061 1 1 805 . 4 1 1 A 93 93 LYS H H 93 9.360 9.075 0.285 1 1 806 . 4 1 1 A 93 93 LYS HA H 93 3.680 3.964 -0.284 1 1 810 . 4 1 1 A 93 93 LYS C C 93 177.100 178.454 -1.354 1 1 811 . 4 1 1 A 93 93 LYS CA C 93 60.700 60.268 0.432 1 1 812 . 4 1 1 A 93 93 LYS CB C 93 32.100 32.416 -0.316 1 1 813 . 4 1 1 A 93 93 LYS N N 93 124.100 126.322 -2.222 1 1 814 . 4 1 1 A 94 94 GLU H H 94 9.120 8.409 0.711 1 1 815 . 4 1 1 A 94 94 GLU HA H 94 3.900 4.061 -0.161 1 1 819 . 4 1 1 A 94 94 GLU C C 94 179.100 179.004 0.096 1 1 820 . 4 1 1 A 94 94 GLU CA C 94 60.700 59.198 1.502 1 1 821 . 4 1 1 A 94 94 GLU CB C 94 28.700 29.157 -0.457 1 1 822 . 4 1 1 A 94 94 GLU N N 94 116.600 119.988 -3.388 1 1 823 . 4 1 1 A 95 95 ASN H H 95 8.020 8.112 -0.092 1 1 824 . 4 1 1 A 95 95 ASN HA H 95 4.650 4.559 0.091 1 1 827 . 4 1 1 A 95 95 ASN C C 95 179.700 178.085 1.615 1 1 828 . 4 1 1 A 95 95 ASN CA C 95 55.300 56.322 -1.022 1 1 829 . 4 1 1 A 95 95 ASN CB C 95 37.500 38.825 -1.325 1 1 830 . 4 1 1 A 95 95 ASN N N 95 118.100 118.663 -0.563 1 1 831 . 4 1 1 A 96 96 LEU H H 96 8.550 8.841 -0.291 1 1 832 . 4 1 1 A 96 96 LEU HA H 96 3.960 4.210 -0.250 1 1 842 . 4 1 1 A 96 96 LEU C C 96 178.400 179.445 -1.045 1 1 843 . 4 1 1 A 96 96 LEU CA C 96 57.500 58.053 -0.553 1 1 844 . 4 1 1 A 96 96 LEU CB C 96 42.200 42.252 -0.052 1 1 845 . 4 1 1 A 96 96 LEU N N 96 121.600 119.822 1.778 1 1 846 . 4 1 1 A 97 97 LEU H H 97 8.500 8.310 0.190 1 1 847 . 4 1 1 A 97 97 LEU HA H 97 4.010 3.951 0.059 1 1 853 . 4 1 1 A 97 97 LEU C C 97 179.200 178.892 0.308 1 1 854 . 4 1 1 A 97 97 LEU CA C 97 58.900 58.183 0.717 1 1 855 . 4 1 1 A 97 97 LEU CB C 97 40.900 41.396 -0.496 1 1 856 . 4 1 1 A 97 97 LEU N N 97 120.100 118.041 2.059 1 1 857 . 4 1 1 A 98 98 ASP H H 98 7.660 8.222 -0.562 1 1 858 . 4 1 1 A 98 98 ASP HA H 98 4.410 4.207 0.203 1 1 861 . 4 1 1 A 98 98 ASP C C 98 177.800 178.704 -0.904 1 1 862 . 4 1 1 A 98 98 ASP CA C 98 57.700 57.380 0.320 1 1 863 . 4 1 1 A 98 98 ASP CB C 98 41.100 41.114 -0.014 1 1 864 . 4 1 1 A 98 98 ASP N N 98 118.700 118.941 -0.241 1 1 865 . 4 1 1 A 99 99 PHE H H 99 7.900 9.164 -1.264 1 1 866 . 4 1 1 A 99 99 PHE HA H 99 4.530 4.219 0.311 1 1 869 . 4 1 1 A 99 99 PHE C C 99 177.600 177.629 -0.029 1 1 870 . 4 1 1 A 99 99 PHE CA C 99 60.400 61.677 -1.277 1 1 871 . 4 1 1 A 99 99 PHE CB C 99 39.800 39.541 0.259 1 1 872 . 4 1 1 A 99 99 PHE N N 99 120.800 121.079 -0.279 1 1 873 . 4 1 1 A 100 100 ILE H H 100 8.780 8.862 -0.082 1 1 874 . 4 1 1 A 100 100 ILE HA H 100 3.120 3.804 -0.684 1 1 883 . 4 1 1 A 100 100 ILE C C 100 177.400 177.925 -0.525 1 1 884 . 4 1 1 A 100 100 ILE CA C 100 65.500 65.146 0.354 1 1 885 . 4 1 1 A 100 100 ILE CB C 100 38.500 37.886 0.614 1 1 886 . 4 1 1 A 100 100 ILE N N 100 121.400 121.044 0.356 1 1 887 . 4 1 1 A 101 101 LYS H H 101 8.210 8.365 -0.155 1 1 888 . 4 1 1 A 101 101 LYS HA H 101 4.200 4.087 0.113 1 1 893 . 4 1 1 A 101 101 LYS C C 101 179.400 179.422 -0.022 1 1 894 . 4 1 1 A 101 101 LYS CA C 101 59.300 58.632 0.668 1 1 895 . 4 1 1 A 101 101 LYS CB C 101 31.800 31.913 -0.113 1 1 896 . 4 1 1 A 101 101 LYS N N 101 117.900 119.540 -1.640 1 1 897 . 4 1 1 A 102 102 HIS H H 102 7.870 8.396 -0.526 1 1 898 . 4 1 1 A 102 102 HIS HA H 102 4.420 4.406 0.014 1 1 900 . 4 1 1 A 102 102 HIS C C 102 175.900 176.767 -0.867 1 1 901 . 4 1 1 A 102 102 HIS CA C 102 58.400 59.692 -1.292 1 1 902 . 4 1 1 A 102 102 HIS CB C 102 30.100 29.693 0.407 1 1 903 . 4 1 1 A 102 102 HIS N N 102 113.900 118.433 -4.533 1 1 904 . 4 1 1 A 103 103 ASN H H 103 7.270 8.402 -1.132 1 1 905 . 4 1 1 A 103 103 ASN HA H 103 4.840 4.469 0.371 1 1 908 . 4 1 1 A 103 103 ASN C C 103 174.500 177.056 -2.556 1 1 909 . 4 1 1 A 103 103 ASN CA C 103 54.400 54.861 -0.461 1 1 910 . 4 1 1 A 103 103 ASN CB C 103 41.100 38.589 2.511 1 1 911 . 4 1 1 A 103 103 ASN N N 103 113.900 118.219 -4.319 1 1 912 . 4 1 1 A 104 104 GLN H H 104 7.650 7.602 0.048 1 1 913 . 4 1 1 A 104 104 GLN HA H 104 4.250 4.476 -0.226 1 1 917 . 4 1 1 A 104 104 GLN C C 104 173.800 174.977 -1.177 1 1 918 . 4 1 1 A 104 104 GLN CA C 104 57.400 55.050 2.350 1 1 919 . 4 1 1 A 104 104 GLN CB C 104 28.900 28.700 0.200 1 1 920 . 4 1 1 A 104 104 GLN N N 104 115.000 118.307 -3.307 1 1 921 . 4 1 1 A 105 105 LEU H H 105 7.500 7.530 -0.030 1 1 922 . 4 1 1 A 105 105 LEU HA H 105 4.720 4.856 -0.136 1 1 927 . 4 1 1 A 105 105 LEU CA C 105 51.800 50.914 0.886 1 1 928 . 4 1 1 A 105 105 LEU CB C 105 42.100 45.539 -3.439 1 1 929 . 4 1 1 A 105 105 LEU N N 105 119.700 121.892 -2.192 1 1 930 . 4 1 1 A 106 106 PRO HA H 106 4.380 4.633 -0.253 1 1 931 . 4 1 1 A 106 106 PRO C C 106 175.600 177.738 -2.138 1 1 932 . 4 1 1 A 106 106 PRO CA C 106 61.700 62.255 -0.555 1 1 933 . 4 1 1 A 106 106 PRO CB C 106 31.800 32.659 -0.859 1 1 934 . 4 1 1 A 107 107 LEU H H 107 9.440 8.656 0.784 1 1 935 . 4 1 1 A 107 107 LEU HA H 107 3.980 4.157 -0.177 1 1 941 . 4 1 1 A 107 107 LEU C C 107 177.100 176.361 0.739 1 1 942 . 4 1 1 A 107 107 LEU CA C 107 57.800 57.678 0.122 1 1 943 . 4 1 1 A 107 107 LEU CB C 107 42.700 42.041 0.659 1 1 944 . 4 1 1 A 107 107 LEU N N 107 123.400 121.547 1.853 1 1 945 . 4 1 1 A 108 108 VAL H H 108 7.730 7.517 0.213 1 1 946 . 4 1 1 A 108 108 VAL HA H 108 5.010 5.556 -0.546 1 1 951 . 4 1 1 A 108 108 VAL C C 108 174.800 174.493 0.307 1 1 952 . 4 1 1 A 108 108 VAL CA C 108 59.400 59.215 0.185 1 1 953 . 4 1 1 A 108 108 VAL CB C 108 34.400 35.755 -1.355 1 1 954 . 4 1 1 A 108 108 VAL N N 108 109.700 113.900 -4.200 1 1 955 . 4 1 1 A 109 109 ILE H H 109 8.700 8.987 -0.287 1 1 956 . 4 1 1 A 109 109 ILE HA H 109 4.210 4.989 -0.779 1 1 965 . 4 1 1 A 109 109 ILE C C 109 173.500 174.135 -0.635 1 1 966 . 4 1 1 A 109 109 ILE CA C 109 59.900 59.056 0.844 1 1 967 . 4 1 1 A 109 109 ILE CB C 109 41.600 42.016 -0.416 1 1 968 . 4 1 1 A 109 109 ILE N N 109 124.500 120.154 4.346 1 1 969 . 4 1 1 A 110 110 GLU H H 110 8.410 8.246 0.164 1 1 970 . 4 1 1 A 110 110 GLU HA H 110 3.430 3.765 -0.335 1 1 973 . 4 1 1 A 110 110 GLU C C 110 176.000 175.858 0.142 1 1 974 . 4 1 1 A 110 110 GLU CA C 110 54.700 55.698 -0.998 1 1 975 . 4 1 1 A 110 110 GLU CB C 110 29.800 30.043 -0.243 1 1 976 . 4 1 1 A 110 110 GLU N N 110 128.200 122.689 5.511 1 1 977 . 4 1 1 A 111 111 PHE H H 111 8.680 9.044 -0.364 1 1 978 . 4 1 1 A 111 111 PHE HA H 111 3.850 4.642 -0.792 1 1 981 . 4 1 1 A 111 111 PHE C C 111 173.600 175.042 -1.442 1 1 982 . 4 1 1 A 111 111 PHE CA C 111 59.500 59.451 0.049 1 1 983 . 4 1 1 A 111 111 PHE CB C 111 40.200 39.459 0.741 1 1 984 . 4 1 1 A 111 111 PHE N N 111 128.800 123.689 5.111 1 1 985 . 4 1 1 A 112 112 THR H H 112 7.310 7.818 -0.508 1 1 986 . 4 1 1 A 112 112 THR HA H 112 4.500 4.670 -0.170 1 1 991 . 4 1 1 A 112 112 THR C C 112 173.700 174.476 -0.776 1 1 992 . 4 1 1 A 112 112 THR CA C 112 59.200 60.431 -1.231 1 1 993 . 4 1 1 A 112 112 THR CB C 112 73.500 70.869 2.631 1 1 994 . 4 1 1 A 112 112 THR N N 112 119.800 116.513 3.287 1 1 995 . 4 1 1 A 113 113 GLU H H 113 8.930 8.873 0.057 1 1 996 . 4 1 1 A 113 113 GLU HA H 113 3.890 3.874 0.016 1 1 1000 . 4 1 1 A 113 113 GLU C C 113 178.100 177.926 0.174 1 1 1001 . 4 1 1 A 113 113 GLU CA C 113 59.100 59.488 -0.388 1 1 1002 . 4 1 1 A 113 113 GLU CB C 113 29.200 29.308 -0.108 1 1 1003 . 4 1 1 A 113 113 GLU N N 113 120.100 120.511 -0.411 1 1 1004 . 4 1 1 A 114 114 GLN H H 114 7.940 7.606 0.334 1 1 1005 . 4 1 1 A 114 114 GLN HA H 114 4.130 4.089 0.041 1 1 1008 . 4 1 1 A 114 114 GLN C C 114 177.800 178.509 -0.709 1 1 1009 . 4 1 1 A 114 114 GLN CA C 114 58.200 58.142 0.058 1 1 1010 . 4 1 1 A 114 114 GLN CB C 114 28.600 27.819 0.781 1 1 1011 . 4 1 1 A 114 114 GLN N N 114 114.800 118.550 -3.750 1 1 1012 . 4 1 1 A 115 115 THR H H 115 7.500 7.579 -0.079 1 1 1013 . 4 1 1 A 115 115 THR HA H 115 4.180 3.782 0.398 1 1 1018 . 4 1 1 A 115 115 THR C C 115 175.800 176.156 -0.356 1 1 1019 . 4 1 1 A 115 115 THR CA C 115 61.900 66.378 -4.478 1 1 1020 . 4 1 1 A 115 115 THR CB C 115 69.400 68.367 1.033 1 1 1021 . 4 1 1 A 115 115 THR N N 115 109.000 117.623 -8.623 1 1 1022 . 4 1 1 A 116 116 ALA H H 116 7.770 7.680 0.090 1 1 1023 . 4 1 1 A 116 116 ALA HA H 116 3.840 3.729 0.111 1 1 1027 . 4 1 1 A 116 116 ALA CA C 116 56.800 56.779 0.021 1 1 1028 . 4 1 1 A 116 116 ALA CB C 116 16.100 16.549 -0.449 1 1 1029 . 4 1 1 A 116 116 ALA N N 116 125.500 122.791 2.709 1 1 1030 . 4 1 1 A 117 117 PRO HA H 117 4.370 4.030 0.340 1 1 1031 . 4 1 1 A 117 117 PRO C C 117 179.500 179.017 0.483 1 1 1032 . 4 1 1 A 117 117 PRO CA C 117 65.800 65.676 0.124 1 1 1033 . 4 1 1 A 117 117 PRO CB C 117 30.800 30.521 0.279 1 1 1034 . 4 1 1 A 118 118 LYS H H 118 7.260 7.980 -0.720 1 1 1035 . 4 1 1 A 118 118 LYS HA H 118 4.140 4.050 0.090 1 1 1039 . 4 1 1 A 118 118 LYS C C 118 178.300 179.571 -1.271 1 1 1040 . 4 1 1 A 118 118 LYS CA C 118 57.500 58.917 -1.417 1 1 1041 . 4 1 1 A 118 118 LYS CB C 118 32.200 31.774 0.426 1 1 1042 . 4 1 1 A 118 118 LYS N N 118 115.800 117.544 -1.744 1 1 1043 . 4 1 1 A 119 119 ILE H H 119 7.690 7.688 0.002 1 1 1044 . 4 1 1 A 119 119 ILE HA H 119 3.440 3.854 -0.414 1 1 1053 . 4 1 1 A 119 119 ILE C C 119 177.500 177.285 0.215 1 1 1054 . 4 1 1 A 119 119 ILE CA C 119 64.400 64.330 0.070 1 1 1055 . 4 1 1 A 119 119 ILE CB C 119 38.700 38.093 0.607 1 1 1056 . 4 1 1 A 119 119 ILE N N 119 119.300 119.667 -0.367 1 1 1057 . 4 1 1 A 120 120 PHE H H 120 8.040 8.154 -0.114 1 1 1058 . 4 1 1 A 120 120 PHE HA H 120 4.310 4.578 -0.268 1 1 1061 . 4 1 1 A 120 120 PHE C C 120 176.800 175.311 1.489 1 1 1062 . 4 1 1 A 120 120 PHE CA C 120 58.900 56.803 2.097 1 1 1063 . 4 1 1 A 120 120 PHE CB C 120 38.400 36.973 1.427 1 1 1064 . 4 1 1 A 120 120 PHE N N 120 115.800 118.448 -2.648 1 1 1065 . 4 1 1 A 121 121 GLY H H 121 7.660 9.158 -1.498 1 1 1066 . 4 1 1 A 121 121 GLY HA2 H 121 3.830 4.237 -0.407 1 1 1067 . 4 1 1 A 121 121 GLY HA3 H 121 4.350 4.237 0.113 1 1 1068 . 4 1 1 A 121 121 GLY C C 121 174.700 173.924 0.776 1 1 1069 . 4 1 1 A 121 121 GLY CA C 121 45.300 46.022 -0.722 1 1 1070 . 4 1 1 A 121 121 GLY N N 121 106.800 110.364 -3.564 1 1 1071 . 4 1 1 A 122 122 GLY H H 122 7.620 8.674 -1.054 1 1 1072 . 4 1 1 A 122 122 GLY HA2 H 122 4.000 4.097 -0.097 1 1 1073 . 4 1 1 A 122 122 GLY HA3 H 122 4.320 4.163 0.157 1 1 1074 . 4 1 1 A 122 122 GLY C C 122 173.800 174.640 -0.840 1 1 1075 . 4 1 1 A 122 122 GLY CA C 122 44.800 45.788 -0.988 1 1 1076 . 4 1 1 A 122 122 GLY N N 122 108.400 108.476 -0.076 1 1 1077 . 4 1 1 A 123 123 GLU H H 123 8.490 8.835 -0.345 1 1 1078 . 4 1 1 A 123 123 GLU HA H 123 4.160 4.039 0.121 1 1 1082 . 4 1 1 A 123 123 GLU C C 123 177.700 175.875 1.825 1 1 1083 . 4 1 1 A 123 123 GLU CA C 123 57.900 57.184 0.716 1 1 1084 . 4 1 1 A 123 123 GLU CB C 123 30.400 28.659 1.741 1 1 1085 . 4 1 1 A 123 123 GLU N N 123 117.700 118.918 -1.218 1 1 1086 . 4 1 1 A 124 124 ILE H H 124 7.890 8.645 -0.755 1 1 1087 . 4 1 1 A 124 124 ILE HA H 124 4.090 3.924 0.166 1 1 1096 . 4 1 1 A 124 124 ILE C C 124 176.700 174.896 1.804 1 1 1097 . 4 1 1 A 124 124 ILE CA C 124 62.000 62.052 -0.052 1 1 1098 . 4 1 1 A 124 124 ILE CB C 124 37.500 35.574 1.926 1 1 1099 . 4 1 1 A 124 124 ILE N N 124 119.900 120.031 -0.131 1 1 1100 . 4 1 1 A 125 125 LYS H H 125 8.600 7.859 0.741 1 1 1101 . 4 1 1 A 125 125 LYS HA H 125 4.590 4.740 -0.150 1 1 1104 . 4 1 1 A 125 125 LYS C C 125 174.400 174.205 0.195 1 1 1105 . 4 1 1 A 125 125 LYS CA C 125 55.600 55.212 0.388 1 1 1106 . 4 1 1 A 125 125 LYS CB C 125 33.000 35.986 -2.986 1 1 1107 . 4 1 1 A 125 125 LYS N N 125 125.500 126.822 -1.322 1 1 1108 . 4 1 1 A 126 126 THR H H 126 6.860 8.522 -1.662 1 1 1109 . 4 1 1 A 126 126 THR HA H 126 4.940 4.864 0.076 1 1 1114 . 4 1 1 A 126 126 THR C C 126 172.000 173.513 -1.513 1 1 1115 . 4 1 1 A 126 126 THR CA C 126 62.100 61.963 0.137 1 1 1116 . 4 1 1 A 126 126 THR CB C 126 69.700 70.013 -0.313 1 1 1117 . 4 1 1 A 126 126 THR N N 126 116.200 117.776 -1.576 1 1 1118 . 4 1 1 A 127 127 HIS H H 127 8.870 8.620 0.250 1 1 1119 . 4 1 1 A 127 127 HIS HA H 127 5.470 5.414 0.056 1 1 1121 . 4 1 1 A 127 127 HIS C C 127 173.600 172.775 0.825 1 1 1122 . 4 1 1 A 127 127 HIS CA C 127 53.700 54.807 -1.107 1 1 1123 . 4 1 1 A 127 127 HIS CB C 127 35.300 33.809 1.491 1 1 1124 . 4 1 1 A 127 127 HIS N N 127 125.900 125.632 0.268 1 1 1125 . 4 1 1 A 128 128 ILE H H 128 9.200 7.905 1.295 1 1 1126 . 4 1 1 A 128 128 ILE HA H 128 4.890 4.475 0.415 1 1 1134 . 4 1 1 A 128 128 ILE C C 128 171.100 172.377 -1.277 1 1 1135 . 4 1 1 A 128 128 ILE CA C 128 58.900 59.959 -1.059 1 1 1136 . 4 1 1 A 128 128 ILE CB C 128 40.200 40.766 -0.566 1 1 1137 . 4 1 1 A 128 128 ILE N N 128 122.600 123.843 -1.243 1 1 1138 . 4 1 1 A 129 129 LEU H H 129 9.070 8.641 0.429 1 1 1139 . 4 1 1 A 129 129 LEU HA H 129 5.040 5.293 -0.253 1 1 1148 . 4 1 1 A 129 129 LEU C C 129 174.300 174.536 -0.236 1 1 1149 . 4 1 1 A 129 129 LEU CA C 129 53.400 53.076 0.324 1 1 1150 . 4 1 1 A 129 129 LEU CB C 129 43.600 45.127 -1.527 1 1 1151 . 4 1 1 A 129 129 LEU N N 129 128.800 131.255 -2.455 1 1 1152 . 4 1 1 A 130 130 LEU H H 130 8.680 8.782 -0.102 1 1 1153 . 4 1 1 A 130 130 LEU HA H 130 4.640 4.659 -0.019 1 1 1162 . 4 1 1 A 130 130 LEU C C 130 174.400 175.552 -1.152 1 1 1163 . 4 1 1 A 130 130 LEU CA C 130 52.700 53.195 -0.495 1 1 1164 . 4 1 1 A 130 130 LEU CB C 130 41.600 44.893 -3.293 1 1 1165 . 4 1 1 A 130 130 LEU N N 130 123.200 126.030 -2.830 1 1 1166 . 4 1 1 A 131 131 PHE H H 131 9.100 8.311 0.789 1 1 1167 . 4 1 1 A 131 131 PHE HA H 131 4.630 4.997 -0.367 1 1 1170 . 4 1 1 A 131 131 PHE C C 131 173.600 175.466 -1.866 1 1 1171 . 4 1 1 A 131 131 PHE CA C 131 56.800 57.211 -0.411 1 1 1172 . 4 1 1 A 131 131 PHE CB C 131 39.200 39.394 -0.194 1 1 1173 . 4 1 1 A 131 131 PHE N N 131 127.500 123.724 3.776 1 1 1174 . 4 1 1 A 132 132 LEU H H 132 9.000 9.027 -0.027 1 1 1175 . 4 1 1 A 132 132 LEU HA H 132 5.020 4.970 0.050 1 1 1183 . 4 1 1 A 132 132 LEU CA C 132 50.700 51.062 -0.362 1 1 1184 . 4 1 1 A 132 132 LEU CB C 132 44.400 45.922 -1.522 1 1 1185 . 4 1 1 A 132 132 LEU N N 132 127.100 124.916 2.184 1 1 1186 . 4 1 1 A 133 133 PRO HA H 133 4.770 4.796 -0.026 1 1 1187 . 4 1 1 A 133 133 PRO C C 133 179.100 177.929 1.171 1 1 1188 . 4 1 1 A 133 133 PRO CA C 133 62.300 62.761 -0.461 1 1 1189 . 4 1 1 A 133 133 PRO CB C 133 31.600 31.987 -0.387 1 1 1190 . 4 1 1 A 134 134 LYS H H 134 8.300 8.996 -0.696 1 1 1191 . 4 1 1 A 134 134 LYS HA H 134 4.070 4.004 0.066 1 1 1195 . 4 1 1 A 134 134 LYS C C 134 176.700 178.356 -1.656 1 1 1196 . 4 1 1 A 134 134 LYS CA C 134 58.900 59.764 -0.864 1 1 1197 . 4 1 1 A 134 134 LYS CB C 134 32.000 32.007 -0.007 1 1 1198 . 4 1 1 A 134 134 LYS N N 134 123.900 124.783 -0.883 1 1 1199 . 4 1 1 A 135 135 SER H H 135 7.610 8.109 -0.499 1 1 1200 . 4 1 1 A 135 135 SER HA H 135 4.250 4.202 0.048 1 1 1202 . 4 1 1 A 135 135 SER C C 135 175.200 175.131 0.069 1 1 1203 . 4 1 1 A 135 135 SER CA C 135 58.200 61.855 -3.655 1 1 1204 . 4 1 1 A 135 135 SER CB C 135 63.300 63.034 0.266 1 1 1205 . 4 1 1 A 135 135 SER N N 135 108.200 114.670 -6.470 1 1 1206 . 4 1 1 A 136 136 VAL H H 136 7.500 7.687 -0.187 1 1 1207 . 4 1 1 A 136 136 VAL HA H 136 4.210 3.960 0.250 1 1 1215 . 4 1 1 A 136 136 VAL C C 136 175.100 176.409 -1.309 1 1 1216 . 4 1 1 A 136 136 VAL CA C 136 61.900 63.150 -1.250 1 1 1217 . 4 1 1 A 136 136 VAL CB C 136 32.600 32.202 0.398 1 1 1218 . 4 1 1 A 136 136 VAL N N 136 122.800 119.949 2.851 1 1 1219 . 4 1 1 A 137 137 SER H H 137 8.450 8.854 -0.404 1 1 1220 . 4 1 1 A 137 137 SER HA H 137 4.300 4.459 -0.159 1 1 1222 . 4 1 1 A 137 137 SER C C 137 175.200 173.427 1.773 1 1 1223 . 4 1 1 A 137 137 SER CA C 137 59.700 58.168 1.532 1 1 1224 . 4 1 1 A 137 137 SER CB C 137 63.000 62.095 0.905 1 1 1225 . 4 1 1 A 137 137 SER N N 137 120.800 123.354 -2.554 1 1 1226 . 4 1 1 A 138 138 ASP H H 138 8.980 8.369 0.611 1 1 1227 . 4 1 1 A 138 138 ASP HA H 138 4.630 4.562 0.068 1 1 1230 . 4 1 1 A 138 138 ASP C C 138 174.800 176.204 -1.404 1 1 1231 . 4 1 1 A 138 138 ASP CA C 138 54.000 53.855 0.145 1 1 1232 . 4 1 1 A 138 138 ASP CB C 138 39.300 41.021 -1.721 1 1 1233 . 4 1 1 A 138 138 ASP N N 138 122.400 121.304 1.096 1 1 1234 . 4 1 1 A 139 139 TYR H H 139 7.620 7.533 0.087 1 1 1235 . 4 1 1 A 139 139 TYR HA H 139 3.530 4.110 -0.580 1 1 1238 . 4 1 1 A 139 139 TYR C C 139 176.400 177.870 -1.470 1 1 1239 . 4 1 1 A 139 139 TYR CA C 139 62.800 61.033 1.767 1 1 1240 . 4 1 1 A 139 139 TYR CB C 139 39.100 37.259 1.841 1 1 1241 . 4 1 1 A 139 139 TYR N N 139 120.500 119.668 0.832 1 1 1242 . 4 1 1 A 140 140 ASP H H 140 8.690 8.325 0.365 1 1 1243 . 4 1 1 A 140 140 ASP HA H 140 4.210 4.381 -0.171 1 1 1245 . 4 1 1 A 140 140 ASP C C 140 179.300 179.115 0.185 1 1 1246 . 4 1 1 A 140 140 ASP CA C 140 57.200 57.167 0.033 1 1 1247 . 4 1 1 A 140 140 ASP CB C 140 40.400 40.480 -0.080 1 1 1248 . 4 1 1 A 140 140 ASP N N 140 115.200 122.076 -6.876 1 1 1249 . 4 1 1 A 141 141 GLY H H 141 7.800 8.152 -0.352 1 1 1250 . 4 1 1 A 141 141 GLY HA2 H 141 3.800 3.690 0.110 1 1 1251 . 4 1 1 A 141 141 GLY HA3 H 141 4.070 3.717 0.353 1 1 1252 . 4 1 1 A 141 141 GLY C C 141 176.800 175.913 0.887 1 1 1253 . 4 1 1 A 141 141 GLY CA C 141 47.000 47.377 -0.377 1 1 1254 . 4 1 1 A 141 141 GLY N N 141 110.300 107.628 2.672 1 1 1255 . 4 1 1 A 142 142 LYS H H 142 8.010 8.392 -0.382 1 1 1256 . 4 1 1 A 142 142 LYS HA H 142 4.030 3.923 0.107 1 1 1259 . 4 1 1 A 142 142 LYS C C 142 179.000 178.985 0.015 1 1 1260 . 4 1 1 A 142 142 LYS CA C 142 59.700 59.282 0.418 1 1 1261 . 4 1 1 A 142 142 LYS CB C 142 33.000 32.285 0.715 1 1 1262 . 4 1 1 A 142 142 LYS N N 142 123.200 121.690 1.510 1 1 1263 . 4 1 1 A 143 143 LEU H H 143 8.090 8.123 -0.033 1 1 1264 . 4 1 1 A 143 143 LEU HA H 143 3.760 3.900 -0.140 1 1 1273 . 4 1 1 A 143 143 LEU C C 143 179.000 178.647 0.353 1 1 1274 . 4 1 1 A 143 143 LEU CA C 143 57.500 57.903 -0.403 1 1 1275 . 4 1 1 A 143 143 LEU CB C 143 40.600 41.620 -1.020 1 1 1276 . 4 1 1 A 143 143 LEU N N 143 120.000 121.550 -1.550 1 1 1277 . 4 1 1 A 144 144 SER H H 144 8.350 8.114 0.236 1 1 1278 . 4 1 1 A 144 144 SER HA H 144 4.120 3.979 0.141 1 1 1280 . 4 1 1 A 144 144 SER C C 144 177.300 176.205 1.095 1 1 1281 . 4 1 1 A 144 144 SER CA C 144 61.900 62.015 -0.115 1 1 1282 . 4 1 1 A 144 144 SER CB C 144 62.300 62.843 -0.543 1 1 1283 . 4 1 1 A 144 144 SER N N 144 114.600 115.241 -0.641 1 1 1284 . 4 1 1 A 145 145 ASN H H 145 7.980 8.018 -0.038 1 1 1285 . 4 1 1 A 145 145 ASN HA H 145 4.460 4.596 -0.136 1 1 1288 . 4 1 1 A 145 145 ASN C C 145 176.300 177.638 -1.338 1 1 1289 . 4 1 1 A 145 145 ASN CA C 145 56.600 56.029 0.571 1 1 1290 . 4 1 1 A 145 145 ASN CB C 145 38.600 38.920 -0.320 1 1 1291 . 4 1 1 A 145 145 ASN N N 145 121.600 120.336 1.264 1 1 1292 . 4 1 1 A 146 146 PHE H H 146 7.710 8.880 -1.170 1 1 1293 . 4 1 1 A 146 146 PHE HA H 146 4.370 4.311 0.059 1 1 1296 . 4 1 1 A 146 146 PHE C C 146 176.200 178.176 -1.976 1 1 1297 . 4 1 1 A 146 146 PHE CA C 146 61.500 61.246 0.254 1 1 1298 . 4 1 1 A 146 146 PHE CB C 146 40.500 38.772 1.728 1 1 1299 . 4 1 1 A 146 146 PHE N N 146 121.800 118.476 3.324 1 1 1300 . 4 1 1 A 147 147 LYS H H 147 8.510 8.541 -0.031 1 1 1301 . 4 1 1 A 147 147 LYS HA H 147 3.620 3.825 -0.205 1 1 1305 . 4 1 1 A 147 147 LYS C C 147 178.200 178.403 -0.203 1 1 1306 . 4 1 1 A 147 147 LYS CA C 147 59.600 59.559 0.041 1 1 1307 . 4 1 1 A 147 147 LYS CB C 147 32.400 32.165 0.235 1 1 1308 . 4 1 1 A 147 147 LYS N N 147 117.700 117.968 -0.268 1 1 1309 . 4 1 1 A 148 148 THR H H 148 8.280 7.880 0.400 1 1 1310 . 4 1 1 A 148 148 THR HA H 148 3.870 3.878 -0.008 1 1 1315 . 4 1 1 A 148 148 THR C C 148 177.200 177.120 0.080 1 1 1316 . 4 1 1 A 148 148 THR CA C 148 66.600 66.221 0.379 1 1 1317 . 4 1 1 A 148 148 THR CB C 148 68.200 68.157 0.043 1 1 1318 . 4 1 1 A 148 148 THR N N 148 116.200 113.315 2.885 1 1 1319 . 4 1 1 A 149 149 ALA H H 149 7.570 8.205 -0.635 1 1 1320 . 4 1 1 A 149 149 ALA HA H 149 4.030 3.741 0.289 1 1 1324 . 4 1 1 A 149 149 ALA C C 149 177.700 178.997 -1.297 1 1 1325 . 4 1 1 A 149 149 ALA CA C 149 54.900 55.040 -0.140 1 1 1326 . 4 1 1 A 149 149 ALA CB C 149 18.700 17.788 0.912 1 1 1327 . 4 1 1 A 149 149 ALA N N 149 124.000 124.038 -0.038 1 1 1328 . 4 1 1 A 150 150 ALA H H 150 7.360 8.261 -0.901 1 1 1329 . 4 1 1 A 150 150 ALA HA H 150 1.860 3.109 -1.249 1 1 1333 . 4 1 1 A 150 150 ALA C C 150 180.600 179.956 0.644 1 1 1334 . 4 1 1 A 150 150 ALA CA C 150 53.900 54.814 -0.914 1 1 1335 . 4 1 1 A 150 150 ALA CB C 150 19.500 17.961 1.539 1 1 1336 . 4 1 1 A 150 150 ALA N N 150 119.700 120.131 -0.431 1 1 1337 . 4 1 1 A 151 151 GLU H H 151 7.050 8.287 -1.237 1 1 1338 . 4 1 1 A 151 151 GLU HA H 151 3.680 3.938 -0.258 1 1 1342 . 4 1 1 A 151 151 GLU C C 151 178.500 178.607 -0.107 1 1 1343 . 4 1 1 A 151 151 GLU CA C 151 59.000 59.212 -0.212 1 1 1344 . 4 1 1 A 151 151 GLU CB C 151 30.000 29.506 0.494 1 1 1345 . 4 1 1 A 151 151 GLU N N 151 114.200 118.660 -4.460 1 1 1346 . 4 1 1 A 152 152 SER H H 152 7.510 7.649 -0.139 1 1 1347 . 4 1 1 A 152 152 SER HA H 152 4.160 4.002 0.158 1 1 1350 . 4 1 1 A 152 152 SER C C 152 173.400 175.810 -2.410 1 1 1351 . 4 1 1 A 152 152 SER CA C 152 60.600 61.035 -0.435 1 1 1352 . 4 1 1 A 152 152 SER CB C 152 63.500 62.785 0.715 1 1 1353 . 4 1 1 A 152 152 SER N N 152 111.900 115.330 -3.430 1 1 1354 . 4 1 1 A 153 153 PHE H H 153 7.240 7.524 -0.284 1 1 1355 . 4 1 1 A 153 153 PHE HA H 153 4.750 4.791 -0.041 1 1 1358 . 4 1 1 A 153 153 PHE C C 153 174.600 174.948 -0.348 1 1 1359 . 4 1 1 A 153 153 PHE CA C 153 57.200 56.572 0.628 1 1 1360 . 4 1 1 A 153 153 PHE CB C 153 41.300 38.565 2.735 1 1 1361 . 4 1 1 A 153 153 PHE N N 153 115.800 117.014 -1.214 1 1 1362 . 4 1 1 A 154 154 LYS H H 154 7.320 7.422 -0.102 1 1 1363 . 4 1 1 A 154 154 LYS HA H 154 4.380 4.170 0.210 1 1 1368 . 4 1 1 A 154 154 LYS C C 154 178.200 177.340 0.860 1 1 1369 . 4 1 1 A 154 154 LYS CA C 154 58.500 57.689 0.811 1 1 1370 . 4 1 1 A 154 154 LYS CB C 154 31.900 32.882 -0.982 1 1 1371 . 4 1 1 A 154 154 LYS N N 154 124.000 122.550 1.450 1 1 1372 . 4 1 1 A 155 155 GLY H H 155 9.720 8.733 0.987 1 1 1373 . 4 1 1 A 155 155 GLY HA2 H 155 3.620 3.950 -0.330 1 1 1374 . 4 1 1 A 155 155 GLY HA3 H 155 4.290 3.973 0.317 1 1 1375 . 4 1 1 A 155 155 GLY C C 155 173.200 175.082 -1.882 1 1 1376 . 4 1 1 A 155 155 GLY CA C 155 45.500 45.364 0.136 1 1 1377 . 4 1 1 A 155 155 GLY N N 155 115.400 115.348 0.052 1 1 1378 . 4 1 1 A 156 156 LYS H H 156 8.400 8.088 0.312 1 1 1379 . 4 1 1 A 156 156 LYS HA H 156 4.630 4.430 0.200 1 1 1383 . 4 1 1 A 156 156 LYS C C 156 175.000 175.349 -0.349 1 1 1384 . 4 1 1 A 156 156 LYS CA C 156 57.100 56.301 0.799 1 1 1385 . 4 1 1 A 156 156 LYS CB C 156 35.800 34.426 1.374 1 1 1386 . 4 1 1 A 156 156 LYS N N 156 118.700 117.620 1.080 1 1 1387 . 4 1 1 A 157 157 ILE H H 157 7.890 7.585 0.305 1 1 1388 . 4 1 1 A 157 157 ILE HA H 157 4.330 5.102 -0.772 1 1 1396 . 4 1 1 A 157 157 ILE C C 157 175.000 173.156 1.844 1 1 1397 . 4 1 1 A 157 157 ILE CA C 157 60.400 59.867 0.533 1 1 1398 . 4 1 1 A 157 157 ILE CB C 157 43.600 41.889 1.711 1 1 1399 . 4 1 1 A 157 157 ILE N N 157 116.600 118.058 -1.458 1 1 1400 . 4 1 1 A 158 158 LEU H H 158 8.300 9.003 -0.703 1 1 1401 . 4 1 1 A 158 158 LEU HA H 158 4.840 5.448 -0.608 1 1 1410 . 4 1 1 A 158 158 LEU C C 158 175.000 174.668 0.332 1 1 1411 . 4 1 1 A 158 158 LEU CA C 158 54.500 52.752 1.748 1 1 1412 . 4 1 1 A 158 158 LEU CB C 158 43.300 46.226 -2.926 1 1 1413 . 4 1 1 A 158 158 LEU N N 158 129.800 129.395 0.405 1 1 1414 . 4 1 1 A 159 159 PHE H H 159 9.310 9.268 0.042 1 1 1415 . 4 1 1 A 159 159 PHE HA H 159 4.890 4.786 0.104 1 1 1418 . 4 1 1 A 159 159 PHE C C 159 178.500 174.764 3.736 1 1 1419 . 4 1 1 A 159 159 PHE CA C 159 56.600 57.108 -0.508 1 1 1420 . 4 1 1 A 159 159 PHE CB C 159 39.100 40.326 -1.226 1 1 1421 . 4 1 1 A 159 159 PHE N N 159 130.000 126.773 3.227 1 1 1422 . 4 1 1 A 160 160 ILE H H 160 9.130 9.289 -0.159 1 1 1423 . 4 1 1 A 160 160 ILE HA H 160 5.470 5.364 0.106 1 1 1431 . 4 1 1 A 160 160 ILE C C 160 174.500 174.681 -0.181 1 1 1432 . 4 1 1 A 160 160 ILE CA C 160 58.700 59.187 -0.487 1 1 1433 . 4 1 1 A 160 160 ILE CB C 160 42.000 42.193 -0.193 1 1 1434 . 4 1 1 A 160 160 ILE N N 160 124.100 124.083 0.017 1 1 1435 . 4 1 1 A 161 161 PHE H H 161 8.920 8.407 0.513 1 1 1436 . 4 1 1 A 161 161 PHE HA H 161 5.780 5.925 -0.145 1 1 1439 . 4 1 1 A 161 161 PHE C C 161 172.800 172.980 -0.180 1 1 1440 . 4 1 1 A 161 161 PHE CA C 161 54.500 55.179 -0.679 1 1 1441 . 4 1 1 A 161 161 PHE CB C 161 42.700 42.778 -0.078 1 1 1442 . 4 1 1 A 161 161 PHE N N 161 122.600 121.725 0.875 1 1 1443 . 4 1 1 A 162 162 ILE H H 162 8.780 9.525 -0.745 1 1 1444 . 4 1 1 A 162 162 ILE HA H 162 4.310 5.115 -0.805 1 1 1451 . 4 1 1 A 162 162 ILE C C 162 174.000 174.175 -0.175 1 1 1452 . 4 1 1 A 162 162 ILE CA C 162 59.600 59.350 0.250 1 1 1453 . 4 1 1 A 162 162 ILE CB C 162 42.300 40.429 1.871 1 1 1454 . 4 1 1 A 162 162 ILE N N 162 121.400 123.354 -1.954 1 1 1455 . 4 1 1 A 163 163 ASP H H 163 8.410 9.094 -0.684 1 1 1456 . 4 1 1 A 163 163 ASP HA H 163 5.370 5.327 0.043 1 1 1459 . 4 1 1 A 163 163 ASP C C 163 178.300 177.232 1.068 1 1 1460 . 4 1 1 A 163 163 ASP CA C 163 52.600 54.468 -1.868 1 1 1461 . 4 1 1 A 163 163 ASP CB C 163 40.500 41.208 -0.708 1 1 1462 . 4 1 1 A 163 163 ASP N N 163 123.800 128.593 -4.793 1 1 1463 . 4 1 1 A 164 164 SER H H 164 7.470 8.808 -1.338 1 1 1464 . 4 1 1 A 164 164 SER HA H 164 3.990 4.186 -0.196 1 1 1467 . 4 1 1 A 164 164 SER C C 164 173.900 174.299 -0.399 1 1 1468 . 4 1 1 A 164 164 SER CA C 164 60.500 62.470 -1.970 1 1 1469 . 4 1 1 A 164 164 SER CB C 164 64.500 63.103 1.397 1 1 1470 . 4 1 1 A 164 164 SER N N 164 124.000 119.266 4.734 1 1 1471 . 4 1 1 A 165 165 ASP H H 165 8.360 8.130 0.230 1 1 1472 . 4 1 1 A 165 165 ASP HA H 165 4.670 4.367 0.303 1 1 1475 . 4 1 1 A 165 165 ASP C C 165 177.400 176.205 1.195 1 1 1476 . 4 1 1 A 165 165 ASP CA C 165 55.600 55.283 0.317 1 1 1477 . 4 1 1 A 165 165 ASP CB C 165 41.300 38.909 2.391 1 1 1478 . 4 1 1 A 165 165 ASP N N 165 119.300 117.717 1.583 1 1 1479 . 4 1 1 A 166 166 HIS H H 166 7.260 8.017 -0.757 1 1 1480 . 4 1 1 A 166 166 HIS HA H 166 4.400 4.263 0.137 1 1 1482 . 4 1 1 A 166 166 HIS CA C 166 58.300 58.816 -0.516 1 1 1483 . 4 1 1 A 166 166 HIS CB C 166 31.900 30.232 1.668 1 1 1484 . 4 1 1 A 166 166 HIS N N 166 121.400 117.777 3.623 1 1 1485 . 4 1 1 A 167 167 THR HA H 167 4.050 4.269 -0.219 1 1 1490 . 4 1 1 A 167 167 THR C C 167 176.800 175.574 1.226 1 1 1491 . 4 1 1 A 167 167 THR CA C 167 66.000 64.647 1.353 1 1 1492 . 4 1 1 A 167 167 THR CB C 167 68.600 69.422 -0.822 1 1 1493 . 4 1 1 A 168 168 ASP H H 168 11.030 8.299 2.731 1 1 1494 . 4 1 1 A 168 168 ASP HA H 168 4.640 4.417 0.223 1 1 1497 . 4 1 1 A 168 168 ASP C C 168 177.500 177.754 -0.254 1 1 1498 . 4 1 1 A 168 168 ASP CA C 168 56.800 56.649 0.151 1 1 1499 . 4 1 1 A 168 168 ASP CB C 168 39.800 40.828 -1.028 1 1 1500 . 4 1 1 A 168 168 ASP N N 168 124.900 121.476 3.424 1 1 1501 . 4 1 1 A 169 169 ASN H H 169 7.970 8.932 -0.962 1 1 1502 . 4 1 1 A 169 169 ASN HA H 169 5.260 4.778 0.482 1 1 1505 . 4 1 1 A 169 169 ASN C C 169 176.100 176.078 0.022 1 1 1506 . 4 1 1 A 169 169 ASN CA C 169 52.700 54.035 -1.335 1 1 1507 . 4 1 1 A 169 169 ASN CB C 169 38.600 38.078 0.522 1 1 1508 . 4 1 1 A 169 169 ASN N N 169 114.600 117.092 -2.492 1 1 1509 . 4 1 1 A 170 170 GLN H H 170 7.660 7.800 -0.140 1 1 1510 . 4 1 1 A 170 170 GLN HA H 170 4.020 3.997 0.023 1 1 1513 . 4 1 1 A 170 170 GLN C C 170 178.100 178.606 -0.506 1 1 1514 . 4 1 1 A 170 170 GLN CA C 170 59.500 59.309 0.191 1 1 1515 . 4 1 1 A 170 170 GLN CB C 170 28.000 28.511 -0.511 1 1 1516 . 4 1 1 A 170 170 GLN N N 170 121.400 119.495 1.905 1 1 1517 . 4 1 1 A 171 171 ARG H H 171 8.570 8.110 0.460 1 1 1518 . 4 1 1 A 171 171 ARG HA H 171 4.250 4.124 0.126 1 1 1521 . 4 1 1 A 171 171 ARG C C 171 178.700 178.535 0.165 1 1 1522 . 4 1 1 A 171 171 ARG CA C 171 58.700 58.919 -0.219 1 1 1523 . 4 1 1 A 171 171 ARG CB C 171 29.100 30.394 -1.294 1 1 1524 . 4 1 1 A 171 171 ARG N N 171 117.500 118.660 -1.160 1 1 1525 . 4 1 1 A 172 172 ILE H H 172 7.700 7.945 -0.245 1 1 1526 . 4 1 1 A 172 172 ILE HA H 172 4.010 4.049 -0.039 1 1 1534 . 4 1 1 A 172 172 ILE C C 172 177.600 177.674 -0.074 1 1 1535 . 4 1 1 A 172 172 ILE CA C 172 63.300 63.443 -0.143 1 1 1536 . 4 1 1 A 172 172 ILE CB C 172 37.000 37.791 -0.791 1 1 1537 . 4 1 1 A 172 172 ILE N N 172 121.000 121.641 -0.641 1 1 1538 . 4 1 1 A 173 173 LEU H H 173 7.400 7.872 -0.472 1 1 1539 . 4 1 1 A 173 173 LEU HA H 173 3.740 4.031 -0.291 1 1 1548 . 4 1 1 A 173 173 LEU C C 173 179.500 178.887 0.613 1 1 1549 . 4 1 1 A 173 173 LEU CA C 173 60.500 58.152 2.348 1 1 1550 . 4 1 1 A 173 173 LEU CB C 173 40.500 41.297 -0.797 1 1 1551 . 4 1 1 A 173 173 LEU N N 173 121.400 119.918 1.482 1 1 1552 . 4 1 1 A 174 174 GLU H H 174 8.030 8.180 -0.150 1 1 1553 . 4 1 1 A 174 174 GLU HA H 174 4.000 3.895 0.105 1 1 1557 . 4 1 1 A 174 174 GLU C C 174 180.200 179.017 1.183 1 1 1558 . 4 1 1 A 174 174 GLU CA C 174 59.200 59.626 -0.426 1 1 1559 . 4 1 1 A 174 174 GLU CB C 174 29.300 29.623 -0.323 1 1 1560 . 4 1 1 A 174 174 GLU N N 174 117.200 119.066 -1.866 1 1 1561 . 4 1 1 A 175 175 PHE H H 175 8.000 7.894 0.106 1 1 1562 . 4 1 1 A 175 175 PHE HA H 175 4.150 4.261 -0.111 1 1 1565 . 4 1 1 A 175 175 PHE C C 175 176.400 178.082 -1.682 1 1 1566 . 4 1 1 A 175 175 PHE CA C 175 60.800 61.549 -0.749 1 1 1567 . 4 1 1 A 175 175 PHE CB C 175 38.700 39.004 -0.304 1 1 1568 . 4 1 1 A 175 175 PHE N N 175 122.000 120.761 1.239 1 1 1569 . 4 1 1 A 176 176 PHE H H 176 7.510 7.690 -0.180 1 1 1570 . 4 1 1 A 176 176 PHE HA H 176 4.110 4.380 -0.270 1 1 1573 . 4 1 1 A 176 176 PHE C C 176 175.000 175.725 -0.725 1 1 1574 . 4 1 1 A 176 176 PHE CA C 176 59.300 59.532 -0.232 1 1 1575 . 4 1 1 A 176 176 PHE CB C 176 40.000 39.436 0.564 1 1 1576 . 4 1 1 A 176 176 PHE N N 176 113.100 118.035 -4.935 1 1 1577 . 4 1 1 A 177 177 GLY H H 177 8.030 8.756 -0.726 1 1 1578 . 4 1 1 A 177 177 GLY HA2 H 177 3.850 3.903 -0.053 1 1 1579 . 4 1 1 A 177 177 GLY C C 177 173.900 174.348 -0.448 1 1 1580 . 4 1 1 A 177 177 GLY CA C 177 46.500 46.729 -0.229 1 1 1581 . 4 1 1 A 177 177 GLY N N 177 110.900 107.495 3.405 1 1 1582 . 4 1 1 A 178 178 LEU H H 178 7.730 7.883 -0.153 1 1 1583 . 4 1 1 A 178 178 LEU HA H 178 4.440 4.675 -0.235 1 1 1592 . 4 1 1 A 178 178 LEU C C 178 175.800 175.846 -0.046 1 1 1593 . 4 1 1 A 178 178 LEU CA C 178 53.500 53.752 -0.252 1 1 1594 . 4 1 1 A 178 178 LEU CB C 178 45.900 44.451 1.449 1 1 1595 . 4 1 1 A 178 178 LEU N N 178 120.700 120.729 -0.029 1 1 1596 . 4 1 1 A 179 179 LYS H H 179 8.170 8.262 -0.092 1 1 1597 . 4 1 1 A 179 179 LYS HA H 179 4.530 4.941 -0.411 1 1 1600 . 4 1 1 A 179 179 LYS C C 179 178.500 177.990 0.510 1 1 1601 . 4 1 1 A 179 179 LYS CA C 179 54.000 54.408 -0.408 1 1 1602 . 4 1 1 A 179 179 LYS CB C 179 34.100 33.108 0.992 1 1 1603 . 4 1 1 A 179 179 LYS N N 179 119.500 122.593 -3.093 1 1 1604 . 4 1 1 A 180 180 LYS H H 180 9.110 8.716 0.394 1 1 1605 . 4 1 1 A 180 180 LYS HA H 180 3.820 3.995 -0.175 1 1 1609 . 4 1 1 A 180 180 LYS C C 180 179.600 178.424 1.176 1 1 1610 . 4 1 1 A 180 180 LYS CA C 180 60.900 59.934 0.966 1 1 1611 . 4 1 1 A 180 180 LYS CB C 180 32.100 32.238 -0.138 1 1 1612 . 4 1 1 A 180 180 LYS N N 180 124.200 118.902 5.298 1 1 1613 . 4 1 1 A 181 181 GLU H H 181 9.460 8.325 1.135 1 1 1614 . 4 1 1 A 181 181 GLU HA H 181 4.220 4.320 -0.100 1 1 1617 . 4 1 1 A 181 181 GLU C C 181 176.700 176.378 0.322 1 1 1618 . 4 1 1 A 181 181 GLU CA C 181 58.700 57.442 1.258 1 1 1619 . 4 1 1 A 181 181 GLU CB C 181 28.300 29.306 -1.006 1 1 1620 . 4 1 1 A 181 181 GLU N N 181 116.600 117.831 -1.231 1 1 1621 . 4 1 1 A 182 182 GLU H H 182 7.660 8.490 -0.830 1 1 1622 . 4 1 1 A 182 182 GLU HA H 182 4.320 4.407 -0.087 1 1 1625 . 4 1 1 A 182 182 GLU C C 182 174.900 175.093 -0.193 1 1 1626 . 4 1 1 A 182 182 GLU CA C 182 55.700 55.551 0.149 1 1 1627 . 4 1 1 A 182 182 GLU CB C 182 30.600 27.822 2.778 1 1 1628 . 4 1 1 A 182 182 GLU N N 182 118.300 121.508 -3.208 1 1 1629 . 4 1 1 A 183 183 CYS H H 183 7.090 8.044 -0.954 1 1 1630 . 4 1 1 A 183 183 CYS HA H 183 4.270 4.984 -0.714 1 1 1633 . 4 1 1 A 183 183 CYS CA C 183 58.200 57.107 1.093 1 1 1634 . 4 1 1 A 183 183 CYS CB C 183 27.400 29.502 -2.102 1 1 1635 . 4 1 1 A 183 183 CYS N N 183 117.700 123.013 -5.313 1 1 1636 . 4 1 1 A 184 184 PRO HA H 184 5.370 5.079 0.291 1 1 1637 . 4 1 1 A 184 184 PRO C C 184 174.300 175.978 -1.678 1 1 1638 . 4 1 1 A 184 184 PRO CA C 184 61.500 63.266 -1.766 1 1 1639 . 4 1 1 A 184 184 PRO CB C 184 36.000 32.478 3.522 1 1 1640 . 4 1 1 A 185 185 ALA H H 185 8.370 8.678 -0.308 1 1 1641 . 4 1 1 A 185 185 ALA HA H 185 4.790 4.897 -0.107 1 1 1645 . 4 1 1 A 185 185 ALA C C 185 174.800 174.959 -0.159 1 1 1646 . 4 1 1 A 185 185 ALA CA C 185 51.600 51.196 0.404 1 1 1647 . 4 1 1 A 185 185 ALA CB C 185 23.400 23.855 -0.455 1 1 1648 . 4 1 1 A 185 185 ALA N N 185 123.000 121.464 1.536 1 1 1649 . 4 1 1 A 186 186 VAL H H 186 8.660 8.720 -0.060 1 1 1650 . 4 1 1 A 186 186 VAL HA H 186 5.710 4.652 1.058 1 1 1655 . 4 1 1 A 186 186 VAL C C 186 176.500 174.434 2.066 1 1 1656 . 4 1 1 A 186 186 VAL CA C 186 59.300 59.529 -0.229 1 1 1657 . 4 1 1 A 186 186 VAL CB C 186 35.300 33.687 1.613 1 1 1658 . 4 1 1 A 186 186 VAL N N 186 117.900 118.048 -0.148 1 1 1659 . 4 1 1 A 187 187 ARG H H 187 8.910 8.638 0.272 1 1 1660 . 4 1 1 A 187 187 ARG HA H 187 5.000 5.194 -0.194 1 1 1663 . 4 1 1 A 187 187 ARG C C 187 172.600 174.584 -1.984 1 1 1664 . 4 1 1 A 187 187 ARG CA C 187 53.000 54.499 -1.499 1 1 1665 . 4 1 1 A 187 187 ARG CB C 187 35.900 33.709 2.191 1 1 1666 . 4 1 1 A 187 187 ARG N N 187 123.000 127.309 -4.309 1 1 1667 . 4 1 1 A 188 188 LEU H H 188 8.790 9.170 -0.380 1 1 1668 . 4 1 1 A 188 188 LEU HA H 188 5.420 5.098 0.322 1 1 1677 . 4 1 1 A 188 188 LEU C C 188 174.600 176.248 -1.648 1 1 1678 . 4 1 1 A 188 188 LEU CA C 188 54.300 53.403 0.897 1 1 1679 . 4 1 1 A 188 188 LEU CB C 188 47.300 44.864 2.436 1 1 1680 . 4 1 1 A 188 188 LEU N N 188 124.700 124.952 -0.252 1 1 1681 . 4 1 1 A 189 189 ILE H H 189 9.590 8.966 0.624 1 1 1682 . 4 1 1 A 189 189 ILE HA H 189 5.880 5.149 0.731 1 1 1690 . 4 1 1 A 189 189 ILE C C 189 173.500 174.593 -1.093 1 1 1691 . 4 1 1 A 189 189 ILE CA C 189 58.400 59.197 -0.797 1 1 1692 . 4 1 1 A 189 189 ILE CB C 189 43.000 42.370 0.630 1 1 1693 . 4 1 1 A 189 189 ILE N N 189 121.800 119.094 2.706 1 1 1694 . 4 1 1 A 190 190 THR H H 190 8.750 8.748 0.002 1 1 1695 . 4 1 1 A 190 190 THR HA H 190 5.360 5.284 0.076 1 1 1700 . 4 1 1 A 190 190 THR C C 190 174.300 173.097 1.203 1 1 1701 . 4 1 1 A 190 190 THR CA C 190 58.800 59.698 -0.898 1 1 1702 . 4 1 1 A 190 190 THR CB C 190 70.400 71.546 -1.146 1 1 1703 . 4 1 1 A 190 190 THR N N 190 114.200 116.701 -2.501 1 1 1704 . 4 1 1 A 191 191 LEU H H 191 8.610 8.551 0.059 1 1 1705 . 4 1 1 A 191 191 LEU HA H 191 4.640 5.311 -0.671 1 1 1711 . 4 1 1 A 191 191 LEU C C 191 176.400 175.271 1.129 1 1 1712 . 4 1 1 A 191 191 LEU CA C 191 54.500 53.570 0.930 1 1 1713 . 4 1 1 A 191 191 LEU CB C 191 42.300 44.923 -2.623 1 1 1714 . 4 1 1 A 191 191 LEU N N 191 125.500 123.467 2.033 1 1 1715 . 4 1 1 A 192 192 GLU H H 192 7.540 8.613 -1.073 1 1 1716 . 4 1 1 A 192 192 GLU HA H 192 4.510 4.724 -0.214 1 1 1719 . 4 1 1 A 192 192 GLU C C 192 176.100 176.345 -0.245 1 1 1720 . 4 1 1 A 192 192 GLU CA C 192 56.300 55.608 0.692 1 1 1721 . 4 1 1 A 192 192 GLU CB C 192 29.800 30.673 -0.873 1 1 1722 . 4 1 1 A 192 192 GLU N N 192 123.400 123.683 -0.283 1 1 1723 . 4 1 1 A 193 193 GLU H H 193 8.490 8.900 -0.410 1 1 1724 . 4 1 1 A 193 193 GLU HA H 193 4.150 4.185 -0.035 1 1 1727 . 4 1 1 A 193 193 GLU C C 193 176.700 176.134 0.566 1 1 1728 . 4 1 1 A 193 193 GLU CA C 193 59.200 59.037 0.163 1 1 1729 . 4 1 1 A 193 193 GLU CB C 193 29.000 29.290 -0.290 1 1 1730 . 4 1 1 A 193 193 GLU N N 193 122.400 118.160 4.240 1 1 1731 . 4 1 1 A 194 194 GLU H H 194 7.990 7.835 0.155 1 1 1732 . 4 1 1 A 194 194 GLU HA H 194 4.460 4.906 -0.446 1 1 1736 . 4 1 1 A 194 194 GLU C C 194 175.700 174.210 1.490 1 1 1737 . 4 1 1 A 194 194 GLU CA C 194 54.900 54.899 0.001 1 1 1738 . 4 1 1 A 194 194 GLU CB C 194 31.400 33.100 -1.700 1 1 1739 . 4 1 1 A 194 194 GLU N N 194 116.200 118.919 -2.719 1 1 1740 . 4 1 1 A 195 195 MET H H 195 8.760 8.976 -0.216 1 1 1741 . 4 1 1 A 195 195 MET HA H 195 5.050 5.172 -0.122 1 1 1746 . 4 1 1 A 195 195 MET C C 195 175.900 175.144 0.756 1 1 1747 . 4 1 1 A 195 195 MET CA C 195 56.000 53.823 2.177 1 1 1748 . 4 1 1 A 195 195 MET CB C 195 33.200 33.279 -0.079 1 1 1749 . 4 1 1 A 195 195 MET N N 195 123.000 124.520 -1.520 1 1 1750 . 4 1 1 A 196 196 THR H H 196 8.400 8.657 -0.257 1 1 1751 . 4 1 1 A 196 196 THR HA H 196 4.400 5.365 -0.965 1 1 1756 . 4 1 1 A 196 196 THR C C 196 172.000 173.639 -1.639 1 1 1757 . 4 1 1 A 196 196 THR CA C 196 62.900 60.209 2.691 1 1 1758 . 4 1 1 A 196 196 THR CB C 196 69.800 70.937 -1.137 1 1 1759 . 4 1 1 A 196 196 THR N N 196 122.000 117.019 4.981 1 1 1760 . 4 1 1 A 197 197 LYS H H 197 8.530 8.976 -0.446 1 1 1761 . 4 1 1 A 197 197 LYS HA H 197 5.420 5.061 0.359 1 1 1764 . 4 1 1 A 197 197 LYS C C 197 174.700 174.680 0.020 1 1 1765 . 4 1 1 A 197 197 LYS CA C 197 55.000 54.761 0.239 1 1 1766 . 4 1 1 A 197 197 LYS CB C 197 35.600 35.772 -0.172 1 1 1767 . 4 1 1 A 197 197 LYS N N 197 123.900 122.889 1.011 1 1 1768 . 4 1 1 A 198 198 TYR H H 198 9.540 9.367 0.173 1 1 1769 . 4 1 1 A 198 198 TYR HA H 198 4.880 5.499 -0.619 1 1 1772 . 4 1 1 A 198 198 TYR C C 198 174.400 173.611 0.789 1 1 1773 . 4 1 1 A 198 198 TYR CA C 198 57.700 56.456 1.244 1 1 1774 . 4 1 1 A 198 198 TYR CB C 198 41.700 42.077 -0.377 1 1 1775 . 4 1 1 A 198 198 TYR N N 198 117.900 124.424 -6.524 1 1 1776 . 4 1 1 A 199 199 LYS H H 199 9.290 8.595 0.695 1 1 1777 . 4 1 1 A 199 199 LYS HA H 199 5.070 5.022 0.048 1 1 1781 . 4 1 1 A 199 199 LYS CA C 199 52.500 53.186 -0.686 1 1 1782 . 4 1 1 A 199 199 LYS CB C 199 35.400 35.762 -0.362 1 1 1783 . 4 1 1 A 199 199 LYS N N 199 122.600 129.155 -6.555 1 1 1784 . 4 1 1 A 200 200 PRO HA H 200 4.120 5.286 -1.166 1 1 1785 . 4 1 1 A 200 200 PRO C C 200 176.700 176.085 0.615 1 1 1786 . 4 1 1 A 200 200 PRO CA C 200 62.000 62.789 -0.789 1 1 1787 . 4 1 1 A 200 200 PRO CB C 200 31.200 33.683 -2.483 1 1 1788 . 4 1 1 A 201 201 GLU H H 201 9.010 9.168 -0.158 1 1 1789 . 4 1 1 A 201 201 GLU HA H 201 4.110 4.594 -0.484 1 1 1793 . 4 1 1 A 201 201 GLU C C 201 176.100 175.934 0.166 1 1 1794 . 4 1 1 A 201 201 GLU CA C 201 57.600 57.876 -0.276 1 1 1795 . 4 1 1 A 201 201 GLU CB C 201 30.400 32.165 -1.765 1 1 1796 . 4 1 1 A 201 201 GLU N N 201 119.700 119.393 0.307 1 1 1797 . 4 1 1 A 202 202 SER H H 202 7.570 7.818 -0.248 1 1 1798 . 4 1 1 A 202 202 SER HA H 202 4.650 4.534 0.116 1 1 1801 . 4 1 1 A 202 202 SER C C 202 174.400 174.021 0.379 1 1 1802 . 4 1 1 A 202 202 SER CA C 202 56.400 58.242 -1.842 1 1 1803 . 4 1 1 A 202 202 SER CB C 202 65.100 64.973 0.127 1 1 1804 . 4 1 1 A 202 202 SER N N 202 111.900 113.703 -1.803 1 1 1805 . 4 1 1 A 203 203 GLU H H 203 8.790 8.668 0.122 1 1 1806 . 4 1 1 A 203 203 GLU HA H 203 4.370 5.488 -1.118 1 1 1809 . 4 1 1 A 203 203 GLU C C 203 176.100 175.220 0.880 1 1 1810 . 4 1 1 A 203 203 GLU CA C 203 56.200 54.735 1.465 1 1 1811 . 4 1 1 A 203 203 GLU CB C 203 29.500 33.150 -3.650 1 1 1812 . 4 1 1 A 203 203 GLU N N 203 122.800 123.379 -0.579 1 1 1813 . 4 1 1 A 204 204 GLU H H 204 8.030 9.052 -1.022 1 1 1814 . 4 1 1 A 204 204 GLU HA H 204 4.110 4.719 -0.609 1 1 1817 . 4 1 1 A 204 204 GLU C C 204 176.300 175.657 0.643 1 1 1818 . 4 1 1 A 204 204 GLU CA C 204 57.300 56.383 0.917 1 1 1819 . 4 1 1 A 204 204 GLU CB C 204 31.100 31.126 -0.026 1 1 1820 . 4 1 1 A 204 204 GLU N N 204 120.700 125.114 -4.414 1 1 1821 . 4 1 1 A 205 205 LEU H H 205 8.690 8.228 0.462 1 1 1822 . 4 1 1 A 205 205 LEU HA H 205 4.580 5.025 -0.445 1 1 1831 . 4 1 1 A 205 205 LEU C C 205 176.300 177.714 -1.414 1 1 1832 . 4 1 1 A 205 205 LEU CA C 205 53.100 53.288 -0.188 1 1 1833 . 4 1 1 A 205 205 LEU CB C 205 41.100 45.337 -4.237 1 1 1834 . 4 1 1 A 205 205 LEU N N 205 125.500 122.156 3.344 1 1 1835 . 4 1 1 A 206 206 THR H H 206 6.800 8.891 -2.091 1 1 1836 . 4 1 1 A 206 206 THR HA H 206 4.370 4.030 0.340 1 1 1841 . 4 1 1 A 206 206 THR C C 206 175.200 176.505 -1.305 1 1 1842 . 4 1 1 A 206 206 THR CA C 206 59.400 65.691 -6.291 1 1 1843 . 4 1 1 A 206 206 THR CB C 206 70.400 68.157 2.243 1 1 1844 . 4 1 1 A 206 206 THR N N 206 108.200 118.561 -10.361 1 1 1845 . 4 1 1 A 207 207 ALA H H 207 9.320 8.396 0.924 1 1 1846 . 4 1 1 A 207 207 ALA HA H 207 4.010 4.010 0.000 1 1 1850 . 4 1 1 A 207 207 ALA C C 207 180.800 179.815 0.985 1 1 1851 . 4 1 1 A 207 207 ALA CA C 207 56.000 55.273 0.727 1 1 1852 . 4 1 1 A 207 207 ALA CB C 207 18.200 18.013 0.187 1 1 1853 . 4 1 1 A 207 207 ALA N N 207 125.300 124.176 1.124 1 1 1854 . 4 1 1 A 208 208 GLU H H 208 9.390 8.248 1.142 1 1 1855 . 4 1 1 A 208 208 GLU HA H 208 4.050 4.101 -0.051 1 1 1859 . 4 1 1 A 208 208 GLU C C 208 179.100 178.744 0.356 1 1 1860 . 4 1 1 A 208 208 GLU CA C 208 60.200 59.537 0.663 1 1 1861 . 4 1 1 A 208 208 GLU CB C 208 29.100 29.201 -0.101 1 1 1862 . 4 1 1 A 208 208 GLU N N 208 118.500 118.212 0.288 1 1 1863 . 4 1 1 A 209 209 ARG H H 209 7.700 9.003 -1.303 1 1 1864 . 4 1 1 A 209 209 ARG HA H 209 4.230 4.297 -0.067 1 1 1867 . 4 1 1 A 209 209 ARG C C 209 180.000 178.412 1.588 1 1 1868 . 4 1 1 A 209 209 ARG CA C 209 57.900 58.889 -0.989 1 1 1869 . 4 1 1 A 209 209 ARG CB C 209 30.100 30.045 0.055 1 1 1870 . 4 1 1 A 209 209 ARG N N 209 119.700 120.592 -0.892 1 1 1871 . 4 1 1 A 210 210 ILE H H 210 8.540 7.738 0.802 1 1 1872 . 4 1 1 A 210 210 ILE HA H 210 3.950 3.785 0.165 1 1 1880 . 4 1 1 A 210 210 ILE C C 210 178.000 178.374 -0.374 1 1 1881 . 4 1 1 A 210 210 ILE CA C 210 65.400 64.348 1.052 1 1 1882 . 4 1 1 A 210 210 ILE CB C 210 38.300 37.487 0.813 1 1 1883 . 4 1 1 A 210 210 ILE N N 210 122.000 118.631 3.369 1 1 1884 . 4 1 1 A 211 211 THR H H 211 8.620 8.600 0.020 1 1 1885 . 4 1 1 A 211 211 THR HA H 211 4.040 4.154 -0.114 1 1 1890 . 4 1 1 A 211 211 THR C C 211 175.300 176.381 -1.081 1 1 1891 . 4 1 1 A 211 211 THR CA C 211 67.800 66.939 0.861 1 1 1892 . 4 1 1 A 211 211 THR CB C 211 68.300 68.316 -0.016 1 1 1893 . 4 1 1 A 211 211 THR N N 211 117.100 118.063 -0.963 1 1 1894 . 4 1 1 A 212 212 GLU H H 212 8.050 8.055 -0.005 1 1 1895 . 4 1 1 A 212 212 GLU HA H 212 4.280 4.069 0.211 1 1 1898 . 4 1 1 A 212 212 GLU C C 212 177.200 179.410 -2.210 1 1 1899 . 4 1 1 A 212 212 GLU CA C 212 59.700 59.485 0.215 1 1 1900 . 4 1 1 A 212 212 GLU CB C 212 30.300 29.640 0.660 1 1 1901 . 4 1 1 A 212 212 GLU N N 212 121.600 121.487 0.113 1 1 1902 . 4 1 1 A 213 213 PHE H H 213 7.890 8.166 -0.276 1 1 1903 . 4 1 1 A 213 213 PHE HA H 213 4.620 4.381 0.239 1 1 1906 . 4 1 1 A 213 213 PHE C C 213 176.300 178.277 -1.977 1 1 1907 . 4 1 1 A 213 213 PHE CA C 213 59.300 60.844 -1.544 1 1 1908 . 4 1 1 A 213 213 PHE CB C 213 38.700 38.030 0.670 1 1 1909 . 4 1 1 A 213 213 PHE N N 213 119.700 119.065 0.635 1 1 1910 . 4 1 1 A 214 214 CYS H H 214 7.700 8.214 -0.514 1 1 1911 . 4 1 1 A 214 214 CYS HA H 214 3.260 3.876 -0.616 1 1 1914 . 4 1 1 A 214 214 CYS C C 214 177.000 177.251 -0.251 1 1 1915 . 4 1 1 A 214 214 CYS CA C 214 64.500 63.692 0.808 1 1 1916 . 4 1 1 A 214 214 CYS CB C 214 27.400 25.981 1.419 1 1 1917 . 4 1 1 A 214 214 CYS N N 214 116.000 118.546 -2.546 1 1 1918 . 4 1 1 A 215 215 HIS H H 215 8.640 8.699 -0.059 1 1 1919 . 4 1 1 A 215 215 HIS HA H 215 4.500 4.188 0.312 1 1 1922 . 4 1 1 A 215 215 HIS C C 215 178.100 176.856 1.244 1 1 1923 . 4 1 1 A 215 215 HIS CA C 215 60.300 59.887 0.413 1 1 1924 . 4 1 1 A 215 215 HIS CB C 215 30.300 29.617 0.683 1 1 1925 . 4 1 1 A 215 215 HIS N N 215 118.100 120.307 -2.207 1 1 1926 . 4 1 1 A 216 216 ARG H H 216 8.730 8.074 0.656 1 1 1927 . 4 1 1 A 216 216 ARG HA H 216 3.920 3.711 0.209 1 1 1930 . 4 1 1 A 216 216 ARG C C 216 179.100 179.212 -0.112 1 1 1931 . 4 1 1 A 216 216 ARG CA C 216 59.800 59.477 0.323 1 1 1932 . 4 1 1 A 216 216 ARG CB C 216 30.100 29.634 0.466 1 1 1933 . 4 1 1 A 216 216 ARG N N 216 118.700 118.210 0.490 1 1 1934 . 4 1 1 A 217 217 PHE H H 217 8.390 8.169 0.221 1 1 1935 . 4 1 1 A 217 217 PHE HA H 217 3.970 4.161 -0.191 1 1 1938 . 4 1 1 A 217 217 PHE C C 217 179.200 178.076 1.124 1 1 1939 . 4 1 1 A 217 217 PHE CA C 217 60.700 60.670 0.030 1 1 1940 . 4 1 1 A 217 217 PHE CB C 217 37.800 38.947 -1.147 1 1 1941 . 4 1 1 A 217 217 PHE N N 217 120.600 119.357 1.243 1 1 1942 . 4 1 1 A 218 218 LEU H H 218 8.250 8.348 -0.098 1 1 1943 . 4 1 1 A 218 218 LEU HA H 218 3.500 4.085 -0.585 1 1 1953 . 4 1 1 A 218 218 LEU C C 218 178.800 177.885 0.915 1 1 1954 . 4 1 1 A 218 218 LEU CA C 218 57.400 56.913 0.487 1 1 1955 . 4 1 1 A 218 218 LEU CB C 218 41.300 41.330 -0.030 1 1 1956 . 4 1 1 A 218 218 LEU N N 218 123.500 118.916 4.584 1 1 1957 . 4 1 1 A 219 219 GLU H H 219 7.770 7.560 0.210 1 1 1958 . 4 1 1 A 219 219 GLU HA H 219 4.200 4.305 -0.105 1 1 1963 . 4 1 1 A 219 219 GLU C C 219 176.800 176.714 0.086 1 1 1964 . 4 1 1 A 219 219 GLU CA C 219 56.200 56.218 -0.018 1 1 1965 . 4 1 1 A 219 219 GLU CB C 219 30.600 29.692 0.908 1 1 1966 . 4 1 1 A 219 219 GLU N N 219 116.400 116.939 -0.539 1 1 1967 . 4 1 1 A 220 220 GLY H H 220 7.720 7.748 -0.028 1 1 1968 . 4 1 1 A 220 220 GLY HA2 H 220 3.890 3.910 -0.020 1 1 1969 . 4 1 1 A 220 220 GLY HA3 H 220 3.960 3.913 0.047 1 1 1970 . 4 1 1 A 220 220 GLY C C 220 176.300 174.789 1.511 1 1 1971 . 4 1 1 A 220 220 GLY CA C 220 46.300 46.349 -0.049 1 1 1972 . 4 1 1 A 220 220 GLY N N 220 108.600 108.908 -0.308 1 1 1973 . 4 1 1 A 221 221 LYS H H 221 8.000 7.256 0.744 1 1 1974 . 4 1 1 A 221 221 LYS HA H 221 4.320 4.189 0.131 1 1 1978 . 4 1 1 A 221 221 LYS C C 221 175.900 176.315 -0.415 1 1 1979 . 4 1 1 A 221 221 LYS CA C 221 56.100 55.983 0.117 1 1 1980 . 4 1 1 A 221 221 LYS CB C 221 33.700 33.596 0.104 1 1 1981 . 4 1 1 A 221 221 LYS N N 221 116.600 120.671 -4.071 1 1 1982 . 4 1 1 A 222 222 ILE H H 222 7.910 8.394 -0.484 1 1 1983 . 4 1 1 A 222 222 ILE HA H 222 4.570 4.080 0.490 1 1 1992 . 4 1 1 A 222 222 ILE C C 222 175.400 176.410 -1.010 1 1 1993 . 4 1 1 A 222 222 ILE CA C 222 59.200 61.340 -2.140 1 1 1994 . 4 1 1 A 222 222 ILE CB C 222 38.800 38.114 0.686 1 1 1995 . 4 1 1 A 222 222 ILE N N 222 118.900 122.459 -3.559 1 1 1996 . 4 1 1 A 223 223 LYS H H 223 8.760 8.454 0.306 1 1 1997 . 4 1 1 A 223 223 LYS HA H 223 4.570 4.456 0.114 1 1 2000 . 4 1 1 A 223 223 LYS CA C 223 54.300 54.727 -0.427 1 1 2001 . 4 1 1 A 223 223 LYS CB C 223 32.000 31.498 0.502 1 1 2002 . 4 1 1 A 223 223 LYS N N 223 127.700 125.461 2.239 1 1 2003 . 4 1 1 A 224 224 PRO C C 224 175.900 175.493 0.407 1 1 2004 . 4 1 1 A 224 224 PRO CA C 224 63.000 62.467 0.533 1 1 2005 . 4 1 1 A 224 224 PRO CB C 224 32.300 33.514 -1.214 1 1 2006 . 4 1 1 A 225 225 HIS H H 225 8.770 8.714 0.056 1 1 2007 . 4 1 1 A 225 225 HIS C C 225 174.700 174.504 0.196 1 1 2008 . 4 1 1 A 225 225 HIS CA C 225 55.800 55.056 0.744 1 1 2009 . 4 1 1 A 225 225 HIS CB C 225 31.100 33.808 -2.708 1 1 2010 . 4 1 1 A 225 225 HIS N N 225 121.800 120.520 1.280 1 1 2011 . 4 1 1 A 226 226 LEU H H 226 8.160 8.754 -0.594 1 1 2012 . 4 1 1 A 226 226 LEU C C 226 176.400 175.797 0.603 1 1 2013 . 4 1 1 A 226 226 LEU CA C 226 54.500 54.241 0.259 1 1 2014 . 4 1 1 A 226 226 LEU CB C 226 42.300 43.317 -1.017 1 1 2015 . 4 1 1 A 226 226 LEU N N 226 127.000 124.478 2.522 1 1 2016 . 4 1 1 A 227 227 MET H H 227 7.980 8.663 -0.683 1 1 2017 . 4 1 1 A 227 227 MET C C 227 175.100 176.249 -1.149 1 1 2018 . 4 1 1 A 227 227 MET CA C 227 55.400 56.822 -1.422 1 1 2019 . 4 1 1 A 227 227 MET CB C 227 33.000 34.684 -1.684 1 1 2020 . 4 1 1 A 227 227 MET N N 227 120.800 124.865 -4.065 1 1 2025 . 4 2 1 A 2 2 PRO C C 2 176.900 176.331 0.569 1 1 2026 . 4 2 1 A 2 2 PRO CA C 2 63.300 62.368 0.932 1 1 2027 . 4 2 1 A 2 2 PRO CB C 2 32.200 29.069 3.131 1 1 2028 . 4 2 1 A 3 3 LEU H H 3 8.510 8.532 -0.022 1 1 2029 . 4 2 1 A 3 3 LEU C C 3 177.700 178.183 -0.483 1 1 2030 . 4 2 1 A 3 3 LEU CA C 3 55.300 54.135 1.165 1 1 2031 . 4 2 1 A 3 3 LEU CB C 3 42.100 44.045 -1.945 1 1 2032 . 4 2 1 A 3 3 LEU N N 3 121.400 123.676 -2.276 1 1 2033 . 4 2 1 A 4 4 GLY H H 4 8.190 8.063 0.127 1 1 2034 . 4 2 1 A 4 4 GLY C C 4 172.900 174.188 -1.288 1 1 2035 . 4 2 1 A 4 4 GLY CA C 4 45.200 45.347 -0.147 1 1 2036 . 4 2 1 A 4 4 GLY N N 4 109.400 108.230 1.170 1 1 2037 . 4 2 1 A 5 5 SER H H 5 7.830 7.634 0.196 1 1 2038 . 4 2 1 A 5 5 SER CA C 5 55.500 55.213 0.287 1 1 2039 . 4 2 1 A 5 5 SER CB C 5 64.100 64.566 -0.466 1 1 2040 . 4 2 1 A 5 5 SER N N 5 115.400 113.414 1.986 1 1 2041 . 4 2 1 A 221 221 LYS C C 221 176.800 176.315 0.485 1 1 2042 . 4 2 1 A 221 221 LYS CA C 221 56.100 55.983 0.117 1 1 2043 . 4 2 1 A 221 221 LYS CB C 221 32.500 33.596 -1.096 1 1 2044 . 4 2 1 A 222 222 ILE H H 222 7.630 8.394 -0.764 1 1 2045 . 4 2 1 A 222 222 ILE C C 222 175.800 176.410 -0.610 1 1 2046 . 4 2 1 A 222 222 ILE CA C 222 61.300 61.340 -0.040 1 1 2047 . 4 2 1 A 222 222 ILE CB C 222 38.500 38.114 0.386 1 1 2048 . 4 2 1 A 222 222 ILE N N 222 118.900 122.459 -3.559 1 1 2049 . 4 2 1 A 223 223 LYS H H 223 8.080 8.454 -0.374 1 1 2050 . 4 2 1 A 223 223 LYS CA C 223 54.300 54.727 -0.427 1 1 2051 . 4 2 1 A 223 223 LYS CB C 223 32.400 31.498 0.902 1 1 2052 . 4 2 1 A 223 223 LYS N N 223 125.500 125.461 0.039 1 1 2053 . 4 2 1 A 224 224 PRO C C 224 176.700 175.493 1.207 1 1 2054 . 4 2 1 A 224 224 PRO CA C 224 63.400 62.467 0.933 1 1 2055 . 4 2 1 A 224 224 PRO CB C 224 31.800 33.514 -1.714 1 1 2056 . 4 2 1 A 225 225 HIS H H 225 8.330 8.714 -0.384 1 1 2057 . 4 2 1 A 225 225 HIS C C 225 175.000 174.504 0.496 1 1 2058 . 4 2 1 A 225 225 HIS CA C 225 56.100 55.056 1.044 1 1 2059 . 4 2 1 A 225 225 HIS CB C 225 30.300 33.808 -3.508 1 1 2060 . 4 2 1 A 225 225 HIS N N 225 119.000 120.520 -1.520 1 1 2061 . 4 2 1 A 226 226 LEU H H 226 8.030 8.754 -0.724 1 1 2062 . 4 2 1 A 226 226 LEU C C 226 176.800 175.797 1.003 1 1 2063 . 4 2 1 A 226 226 LEU CA C 226 55.000 54.241 0.759 1 1 2064 . 4 2 1 A 226 226 LEU CB C 226 42.300 43.317 -1.017 1 1 2065 . 4 2 1 A 226 226 LEU N N 226 123.200 124.478 -1.278 1 1 2066 . 4 2 1 A 227 227 MET H H 227 8.280 8.663 -0.383 1 1 2067 . 4 2 1 A 227 227 MET CA C 227 55.300 56.822 -1.522 1 1 2068 . 4 2 1 A 227 227 MET CB C 227 32.900 34.684 -1.784 1 1 1 . 5 1 1 A 2 2 PRO C C 2 176.900 176.020 0.880 1 1 2 . 5 1 1 A 2 2 PRO CA C 2 63.000 62.837 0.163 1 1 3 . 5 1 1 A 2 2 PRO CB C 2 32.100 30.900 1.200 1 1 4 . 5 1 1 A 3 3 LEU H H 3 8.510 7.982 0.528 1 1 5 . 5 1 1 A 3 3 LEU HA H 3 4.320 5.201 -0.881 1 1 10 . 5 1 1 A 3 3 LEU C C 3 177.900 176.024 1.876 1 1 11 . 5 1 1 A 3 3 LEU CA C 3 55.500 53.172 2.328 1 1 12 . 5 1 1 A 3 3 LEU CB C 3 42.000 44.376 -2.376 1 1 13 . 5 1 1 A 3 3 LEU N N 3 122.400 118.069 4.331 1 1 14 . 5 1 1 A 4 4 GLY H H 4 8.450 8.643 -0.193 1 1 15 . 5 1 1 A 4 4 GLY HA2 H 4 3.900 4.170 -0.270 1 1 16 . 5 1 1 A 4 4 GLY HA3 H 4 4.020 4.170 -0.150 1 1 17 . 5 1 1 A 4 4 GLY C C 4 173.800 173.233 0.567 1 1 18 . 5 1 1 A 4 4 GLY CA C 4 45.100 45.822 -0.722 1 1 19 . 5 1 1 A 4 4 GLY N N 4 110.200 109.653 0.547 1 1 20 . 5 1 1 A 5 5 SER H H 5 8.040 7.885 0.155 1 1 21 . 5 1 1 A 5 5 SER HA H 5 4.010 4.820 -0.810 1 1 23 . 5 1 1 A 5 5 SER CA C 5 56.300 54.801 1.499 1 1 24 . 5 1 1 A 5 5 SER CB C 5 63.300 64.796 -1.496 1 1 25 . 5 1 1 A 5 5 SER N N 5 116.900 116.316 0.584 1 1 26 . 5 1 1 A 6 6 PRO HA H 6 4.450 4.567 -0.117 1 1 29 . 5 1 1 A 6 6 PRO C C 6 176.700 177.532 -0.832 1 1 30 . 5 1 1 A 6 6 PRO CA C 6 63.000 62.900 0.100 1 1 31 . 5 1 1 A 6 6 PRO CB C 6 32.000 31.502 0.498 1 1 32 . 5 1 1 A 7 7 ALA H H 7 8.560 8.488 0.072 1 1 33 . 5 1 1 A 7 7 ALA HA H 7 4.100 4.096 0.004 1 1 37 . 5 1 1 A 7 7 ALA C C 7 176.600 177.440 -0.840 1 1 38 . 5 1 1 A 7 7 ALA CA C 7 53.400 54.877 -1.477 1 1 39 . 5 1 1 A 7 7 ALA CB C 7 19.600 18.544 1.056 1 1 40 . 5 1 1 A 7 7 ALA N N 7 123.600 127.919 -4.319 1 1 41 . 5 1 1 A 8 8 ALA H H 8 7.410 7.567 -0.157 1 1 42 . 5 1 1 A 8 8 ALA HA H 8 4.680 5.732 -1.052 1 1 46 . 5 1 1 A 8 8 ALA C C 8 175.900 176.063 -0.163 1 1 47 . 5 1 1 A 8 8 ALA CA C 8 50.100 50.551 -0.451 1 1 48 . 5 1 1 A 8 8 ALA CB C 8 21.300 20.917 0.383 1 1 49 . 5 1 1 A 8 8 ALA N N 8 116.200 119.313 -3.113 1 1 50 . 5 1 1 A 9 9 THR H H 9 8.670 9.398 -0.728 1 1 51 . 5 1 1 A 9 9 THR HA H 9 4.330 5.093 -0.763 1 1 56 . 5 1 1 A 9 9 THR C C 9 174.400 173.860 0.540 1 1 57 . 5 1 1 A 9 9 THR CA C 9 62.600 61.649 0.951 1 1 58 . 5 1 1 A 9 9 THR CB C 9 70.100 70.484 -0.384 1 1 59 . 5 1 1 A 9 9 THR N N 9 119.900 117.128 2.772 1 1 60 . 5 1 1 A 10 10 THR H H 10 9.000 8.848 0.152 1 1 61 . 5 1 1 A 10 10 THR HA H 10 4.580 5.289 -0.709 1 1 66 . 5 1 1 A 10 10 THR C C 10 174.100 173.709 0.391 1 1 67 . 5 1 1 A 10 10 THR CA C 10 63.900 60.483 3.417 1 1 68 . 5 1 1 A 10 10 THR CB C 10 68.500 69.970 -1.470 1 1 69 . 5 1 1 A 10 10 THR N N 10 125.900 119.354 6.546 1 1 70 . 5 1 1 A 11 11 LEU H H 11 9.010 8.656 0.354 1 1 71 . 5 1 1 A 11 11 LEU HA H 11 4.970 4.626 0.344 1 1 77 . 5 1 1 A 11 11 LEU CA C 11 50.200 52.615 -2.415 1 1 78 . 5 1 1 A 11 11 LEU CB C 11 41.700 42.385 -0.685 1 1 79 . 5 1 1 A 11 11 LEU N N 11 127.200 124.333 2.867 1 1 80 . 5 1 1 A 12 12 PRO HA H 12 4.520 5.135 -0.615 1 1 83 . 5 1 1 A 12 12 PRO C C 12 175.300 175.416 -0.116 1 1 84 . 5 1 1 A 12 12 PRO CA C 12 63.900 63.989 -0.089 1 1 85 . 5 1 1 A 12 12 PRO CB C 12 32.700 32.040 0.660 1 1 86 . 5 1 1 A 13 13 ASP H H 13 7.110 7.733 -0.623 1 1 87 . 5 1 1 A 13 13 ASP HA H 13 4.420 4.871 -0.451 1 1 90 . 5 1 1 A 13 13 ASP C C 13 175.400 176.284 -0.884 1 1 91 . 5 1 1 A 13 13 ASP CA C 13 52.300 53.152 -0.852 1 1 92 . 5 1 1 A 13 13 ASP CB C 13 42.000 44.022 -2.022 1 1 93 . 5 1 1 A 13 13 ASP N N 13 112.100 117.388 -5.288 1 1 94 . 5 1 1 A 14 14 GLY H H 14 9.120 9.104 0.016 1 1 95 . 5 1 1 A 14 14 GLY HA2 H 14 3.610 3.826 -0.216 1 1 96 . 5 1 1 A 14 14 GLY HA3 H 14 4.010 3.834 0.176 1 1 97 . 5 1 1 A 14 14 GLY C C 14 175.100 175.909 -0.809 1 1 98 . 5 1 1 A 14 14 GLY CA C 14 47.400 47.553 -0.153 1 1 99 . 5 1 1 A 14 14 GLY N N 14 106.600 111.659 -5.059 1 1 100 . 5 1 1 A 15 15 ALA H H 15 8.050 8.064 -0.014 1 1 101 . 5 1 1 A 15 15 ALA HA H 15 4.170 4.020 0.150 1 1 105 . 5 1 1 A 15 15 ALA C C 15 180.500 179.743 0.757 1 1 106 . 5 1 1 A 15 15 ALA CA C 15 54.800 54.637 0.163 1 1 107 . 5 1 1 A 15 15 ALA CB C 15 17.600 18.031 -0.431 1 1 108 . 5 1 1 A 15 15 ALA N N 15 125.100 124.594 0.506 1 1 109 . 5 1 1 A 16 16 ALA H H 16 8.260 7.776 0.484 1 1 110 . 5 1 1 A 16 16 ALA HA H 16 4.170 4.077 0.093 1 1 114 . 5 1 1 A 16 16 ALA C C 16 180.500 179.378 1.122 1 1 115 . 5 1 1 A 16 16 ALA CA C 16 54.500 54.918 -0.418 1 1 116 . 5 1 1 A 16 16 ALA CB C 16 18.600 18.264 0.336 1 1 117 . 5 1 1 A 16 16 ALA N N 16 121.600 119.838 1.762 1 1 118 . 5 1 1 A 17 17 ALA H H 17 7.600 8.189 -0.589 1 1 119 . 5 1 1 A 17 17 ALA HA H 17 3.990 3.934 0.056 1 1 123 . 5 1 1 A 17 17 ALA C C 17 177.200 180.236 -3.036 1 1 124 . 5 1 1 A 17 17 ALA CA C 17 55.400 55.372 0.028 1 1 125 . 5 1 1 A 17 17 ALA CB C 17 18.700 18.144 0.556 1 1 126 . 5 1 1 A 17 17 ALA N N 17 120.600 120.274 0.326 1 1 127 . 5 1 1 A 18 18 GLU H H 18 8.450 7.727 0.723 1 1 128 . 5 1 1 A 18 18 GLU HA H 18 3.790 4.004 -0.214 1 1 132 . 5 1 1 A 18 18 GLU C C 18 178.800 178.691 0.109 1 1 133 . 5 1 1 A 18 18 GLU CA C 18 59.200 59.076 0.124 1 1 134 . 5 1 1 A 18 18 GLU CB C 18 29.500 29.548 -0.048 1 1 135 . 5 1 1 A 18 18 GLU N N 18 117.100 117.704 -0.604 1 1 136 . 5 1 1 A 19 19 SER H H 19 7.920 7.519 0.401 1 1 137 . 5 1 1 A 19 19 SER HA H 19 4.150 4.113 0.037 1 1 139 . 5 1 1 A 19 19 SER C C 19 176.800 176.617 0.183 1 1 140 . 5 1 1 A 19 19 SER CA C 19 61.300 61.727 -0.427 1 1 141 . 5 1 1 A 19 19 SER CB C 19 62.400 63.394 -0.994 1 1 142 . 5 1 1 A 19 19 SER N N 19 112.800 115.717 -2.917 1 1 143 . 5 1 1 A 20 20 LEU H H 20 7.460 7.579 -0.119 1 1 144 . 5 1 1 A 20 20 LEU HA H 20 4.020 3.909 0.111 1 1 153 . 5 1 1 A 20 20 LEU C C 20 179.200 179.022 0.178 1 1 154 . 5 1 1 A 20 20 LEU CA C 20 58.400 58.050 0.350 1 1 155 . 5 1 1 A 20 20 LEU CB C 20 41.600 41.150 0.450 1 1 156 . 5 1 1 A 20 20 LEU N N 20 123.000 119.142 3.858 1 1 157 . 5 1 1 A 21 21 VAL H H 21 7.980 7.816 0.164 1 1 158 . 5 1 1 A 21 21 VAL HA H 21 3.090 3.446 -0.356 1 1 166 . 5 1 1 A 21 21 VAL C C 21 177.600 177.971 -0.371 1 1 167 . 5 1 1 A 21 21 VAL CA C 21 66.800 66.557 0.243 1 1 168 . 5 1 1 A 21 21 VAL CB C 21 31.600 31.666 -0.066 1 1 169 . 5 1 1 A 21 21 VAL N N 21 119.500 119.969 -0.469 1 1 170 . 5 1 1 A 22 22 GLU H H 22 8.180 9.101 -0.921 1 1 171 . 5 1 1 A 22 22 GLU HA H 22 4.040 3.958 0.082 1 1 174 . 5 1 1 A 22 22 GLU C C 22 178.700 178.632 0.068 1 1 175 . 5 1 1 A 22 22 GLU CA C 22 58.000 59.349 -1.349 1 1 176 . 5 1 1 A 22 22 GLU CB C 22 29.500 29.191 0.309 1 1 177 . 5 1 1 A 22 22 GLU N N 22 114.800 119.341 -4.541 1 1 178 . 5 1 1 A 23 23 SER H H 23 7.570 7.574 -0.004 1 1 179 . 5 1 1 A 23 23 SER HA H 23 4.360 4.304 0.056 1 1 182 . 5 1 1 A 23 23 SER C C 23 173.700 173.749 -0.049 1 1 183 . 5 1 1 A 23 23 SER CA C 23 59.800 60.120 -0.320 1 1 184 . 5 1 1 A 23 23 SER CB C 23 64.000 63.049 0.951 1 1 185 . 5 1 1 A 23 23 SER N N 23 112.500 115.374 -2.874 1 1 186 . 5 1 1 A 24 24 SER H H 24 7.080 8.674 -1.594 1 1 187 . 5 1 1 A 24 24 SER HA H 24 4.800 4.777 0.023 1 1 190 . 5 1 1 A 24 24 SER C C 24 172.800 174.225 -1.425 1 1 191 . 5 1 1 A 24 24 SER CA C 24 57.200 57.669 -0.469 1 1 192 . 5 1 1 A 24 24 SER CB C 24 65.400 66.352 -0.952 1 1 193 . 5 1 1 A 24 24 SER N N 24 115.400 114.416 0.984 1 1 194 . 5 1 1 A 25 25 GLU H H 25 8.700 8.984 -0.284 1 1 195 . 5 1 1 A 25 25 GLU HA H 25 3.970 3.938 0.032 1 1 199 . 5 1 1 A 25 25 GLU C C 25 175.700 175.820 -0.120 1 1 200 . 5 1 1 A 25 25 GLU CA C 25 59.900 59.809 0.091 1 1 201 . 5 1 1 A 25 25 GLU CB C 25 30.300 29.340 0.960 1 1 202 . 5 1 1 A 25 25 GLU N N 25 124.500 126.095 -1.595 1 1 203 . 5 1 1 A 26 26 VAL H H 26 7.320 7.812 -0.492 1 1 204 . 5 1 1 A 26 26 VAL HA H 26 5.000 4.660 0.340 1 1 212 . 5 1 1 A 26 26 VAL C C 26 174.300 173.407 0.893 1 1 213 . 5 1 1 A 26 26 VAL CA C 26 60.500 59.651 0.849 1 1 214 . 5 1 1 A 26 26 VAL CB C 26 35.700 35.251 0.449 1 1 215 . 5 1 1 A 26 26 VAL N N 26 113.500 117.792 -4.292 1 1 216 . 5 1 1 A 27 27 ALA H H 27 9.130 8.559 0.571 1 1 217 . 5 1 1 A 27 27 ALA HA H 27 4.820 5.061 -0.241 1 1 221 . 5 1 1 A 27 27 ALA C C 27 175.000 175.165 -0.165 1 1 222 . 5 1 1 A 27 27 ALA CA C 27 51.200 50.852 0.348 1 1 223 . 5 1 1 A 27 27 ALA CB C 27 23.000 23.876 -0.876 1 1 224 . 5 1 1 A 27 27 ALA N N 27 127.200 129.506 -2.306 1 1 225 . 5 1 1 A 28 28 VAL H H 28 7.980 8.452 -0.472 1 1 226 . 5 1 1 A 28 28 VAL HA H 28 5.080 5.229 -0.149 1 1 234 . 5 1 1 A 28 28 VAL C C 28 174.600 173.879 0.721 1 1 235 . 5 1 1 A 28 28 VAL CA C 28 60.800 59.388 1.412 1 1 236 . 5 1 1 A 28 28 VAL CB C 28 34.300 34.818 -0.518 1 1 237 . 5 1 1 A 28 28 VAL N N 28 120.100 118.676 1.424 1 1 238 . 5 1 1 A 29 29 ILE H H 29 9.080 9.301 -0.221 1 1 239 . 5 1 1 A 29 29 ILE HA H 29 4.780 5.530 -0.750 1 1 247 . 5 1 1 A 29 29 ILE C C 29 173.300 175.004 -1.704 1 1 248 . 5 1 1 A 29 29 ILE CA C 29 60.000 59.660 0.340 1 1 249 . 5 1 1 A 29 29 ILE CB C 29 40.300 41.233 -0.933 1 1 250 . 5 1 1 A 29 29 ILE N N 29 124.300 128.506 -4.206 1 1 251 . 5 1 1 A 30 30 GLY H H 30 8.610 9.422 -0.812 1 1 252 . 5 1 1 A 30 30 GLY HA2 H 30 1.910 4.358 -2.448 1 1 253 . 5 1 1 A 30 30 GLY HA3 H 30 3.960 4.371 -0.411 1 1 254 . 5 1 1 A 30 30 GLY C C 30 169.300 171.878 -2.578 1 1 255 . 5 1 1 A 30 30 GLY CA C 30 44.500 44.209 0.291 1 1 256 . 5 1 1 A 30 30 GLY N N 30 115.800 114.448 1.352 1 1 257 . 5 1 1 A 31 31 PHE H H 31 8.470 9.663 -1.193 1 1 258 . 5 1 1 A 31 31 PHE HA H 31 4.200 5.298 -1.098 1 1 261 . 5 1 1 A 31 31 PHE C C 31 172.800 175.306 -2.506 1 1 262 . 5 1 1 A 31 31 PHE CA C 31 55.000 56.948 -1.948 1 1 263 . 5 1 1 A 31 31 PHE CB C 31 36.500 40.263 -3.763 1 1 264 . 5 1 1 A 31 31 PHE N N 31 127.800 122.816 4.984 1 1 265 . 5 1 1 A 32 32 PHE H H 32 8.200 8.983 -0.783 1 1 266 . 5 1 1 A 32 32 PHE HA H 32 4.980 5.035 -0.055 1 1 269 . 5 1 1 A 32 32 PHE C C 32 174.400 175.914 -1.514 1 1 270 . 5 1 1 A 32 32 PHE CA C 32 55.700 56.189 -0.489 1 1 271 . 5 1 1 A 32 32 PHE CB C 32 42.900 42.111 0.789 1 1 272 . 5 1 1 A 32 32 PHE N N 32 116.900 120.869 -3.969 1 1 273 . 5 1 1 A 33 33 LYS H H 33 9.420 8.495 0.925 1 1 274 . 5 1 1 A 33 33 LYS HA H 33 4.020 4.507 -0.487 1 1 279 . 5 1 1 A 33 33 LYS C C 33 176.700 176.891 -0.191 1 1 280 . 5 1 1 A 33 33 LYS CA C 33 58.900 58.164 0.736 1 1 281 . 5 1 1 A 33 33 LYS CB C 33 31.900 33.299 -1.399 1 1 282 . 5 1 1 A 33 33 LYS N N 33 124.700 123.271 1.429 1 1 283 . 5 1 1 A 34 34 ASP H H 34 8.920 7.944 0.976 1 1 284 . 5 1 1 A 34 34 ASP HA H 34 5.020 5.022 -0.002 1 1 287 . 5 1 1 A 34 34 ASP C C 34 177.800 176.364 1.436 1 1 288 . 5 1 1 A 34 34 ASP CA C 34 51.700 52.932 -1.232 1 1 289 . 5 1 1 A 34 34 ASP CB C 34 41.800 40.884 0.916 1 1 290 . 5 1 1 A 34 34 ASP N N 34 117.300 118.835 -1.535 1 1 291 . 5 1 1 A 35 35 VAL H H 35 8.560 8.444 0.116 1 1 292 . 5 1 1 A 35 35 VAL HA H 35 3.790 3.776 0.014 1 1 300 . 5 1 1 A 35 35 VAL C C 35 174.500 177.931 -3.431 1 1 301 . 5 1 1 A 35 35 VAL CA C 35 63.900 65.778 -1.878 1 1 302 . 5 1 1 A 35 35 VAL CB C 35 30.500 31.631 -1.131 1 1 303 . 5 1 1 A 35 35 VAL N N 35 120.700 123.212 -2.512 1 1 304 . 5 1 1 A 36 36 GLU H H 36 8.250 8.228 0.022 1 1 305 . 5 1 1 A 36 36 GLU HA H 36 4.390 4.077 0.313 1 1 309 . 5 1 1 A 36 36 GLU C C 36 176.600 177.203 -0.603 1 1 310 . 5 1 1 A 36 36 GLU CA C 36 54.800 58.980 -4.180 1 1 311 . 5 1 1 A 36 36 GLU CB C 36 29.200 29.471 -0.271 1 1 312 . 5 1 1 A 36 36 GLU N N 36 117.200 121.594 -4.394 1 1 313 . 5 1 1 A 37 37 SER H H 37 7.560 7.796 -0.236 1 1 314 . 5 1 1 A 37 37 SER HA H 37 4.300 4.382 -0.082 1 1 317 . 5 1 1 A 37 37 SER C C 37 174.000 175.629 -1.629 1 1 318 . 5 1 1 A 37 37 SER CA C 37 58.100 59.484 -1.384 1 1 319 . 5 1 1 A 37 37 SER CB C 37 65.400 63.948 1.452 1 1 320 . 5 1 1 A 37 37 SER N N 37 116.100 115.449 0.651 1 1 321 . 5 1 1 A 38 38 ASP H H 38 8.920 8.981 -0.061 1 1 322 . 5 1 1 A 38 38 ASP HA H 38 4.290 4.206 0.084 1 1 324 . 5 1 1 A 38 38 ASP C C 38 179.200 178.429 0.771 1 1 325 . 5 1 1 A 38 38 ASP CA C 38 58.100 56.804 1.296 1 1 326 . 5 1 1 A 38 38 ASP CB C 38 40.100 39.847 0.253 1 1 327 . 5 1 1 A 38 38 ASP N N 38 121.400 124.601 -3.201 1 1 328 . 5 1 1 A 39 39 SER H H 39 8.500 8.146 0.354 1 1 329 . 5 1 1 A 39 39 SER HA H 39 4.050 4.077 -0.027 1 1 331 . 5 1 1 A 39 39 SER C C 39 174.500 176.268 -1.768 1 1 332 . 5 1 1 A 39 39 SER CA C 39 61.500 61.770 -0.270 1 1 333 . 5 1 1 A 39 39 SER CB C 39 62.400 63.013 -0.613 1 1 334 . 5 1 1 A 39 39 SER N N 39 114.200 116.221 -2.021 1 1 335 . 5 1 1 A 40 40 ALA H H 40 6.970 7.710 -0.740 1 1 336 . 5 1 1 A 40 40 ALA HA H 40 2.380 3.151 -0.771 1 1 340 . 5 1 1 A 40 40 ALA C C 40 179.600 179.831 -0.231 1 1 341 . 5 1 1 A 40 40 ALA CA C 40 54.500 54.840 -0.340 1 1 342 . 5 1 1 A 40 40 ALA CB C 40 18.600 18.039 0.561 1 1 343 . 5 1 1 A 40 40 ALA N N 40 125.700 123.142 2.558 1 1 344 . 5 1 1 A 41 41 LYS H H 41 8.040 7.546 0.494 1 1 345 . 5 1 1 A 41 41 LYS HA H 41 3.830 3.946 -0.116 1 1 350 . 5 1 1 A 41 41 LYS C C 41 180.500 179.412 1.088 1 1 351 . 5 1 1 A 41 41 LYS CA C 41 60.000 59.429 0.571 1 1 352 . 5 1 1 A 41 41 LYS CB C 41 31.900 32.156 -0.256 1 1 353 . 5 1 1 A 41 41 LYS N N 41 115.800 117.204 -1.404 1 1 354 . 5 1 1 A 42 42 GLN H H 42 7.870 7.928 -0.058 1 1 355 . 5 1 1 A 42 42 GLN HA H 42 3.780 4.016 -0.236 1 1 359 . 5 1 1 A 42 42 GLN C C 42 177.800 178.602 -0.802 1 1 360 . 5 1 1 A 42 42 GLN CA C 42 58.600 58.957 -0.357 1 1 361 . 5 1 1 A 42 42 GLN CB C 42 28.600 28.260 0.340 1 1 362 . 5 1 1 A 42 42 GLN N N 42 119.100 120.185 -1.085 1 1 363 . 5 1 1 A 43 43 PHE H H 43 7.710 7.758 -0.048 1 1 364 . 5 1 1 A 43 43 PHE HA H 43 3.850 4.044 -0.194 1 1 367 . 5 1 1 A 43 43 PHE C C 43 176.200 177.332 -1.132 1 1 368 . 5 1 1 A 43 43 PHE CA C 43 61.300 61.191 0.109 1 1 369 . 5 1 1 A 43 43 PHE CB C 43 39.000 39.394 -0.394 1 1 370 . 5 1 1 A 43 43 PHE N N 43 120.000 120.710 -0.710 1 1 371 . 5 1 1 A 44 44 LEU H H 44 8.360 7.971 0.389 1 1 372 . 5 1 1 A 44 44 LEU HA H 44 3.580 3.822 -0.242 1 1 378 . 5 1 1 A 44 44 LEU C C 44 179.400 178.512 0.888 1 1 379 . 5 1 1 A 44 44 LEU CA C 44 57.400 57.931 -0.531 1 1 380 . 5 1 1 A 44 44 LEU CB C 44 40.900 41.611 -0.711 1 1 381 . 5 1 1 A 44 44 LEU N N 44 119.500 120.431 -0.931 1 1 382 . 5 1 1 A 45 45 GLN H H 45 7.660 8.237 -0.577 1 1 383 . 5 1 1 A 45 45 GLN HA H 45 3.900 4.035 -0.135 1 1 388 . 5 1 1 A 45 45 GLN C C 45 179.300 178.391 0.909 1 1 389 . 5 1 1 A 45 45 GLN CA C 45 58.700 58.688 0.012 1 1 390 . 5 1 1 A 45 45 GLN CB C 45 28.700 28.119 0.581 1 1 391 . 5 1 1 A 45 45 GLN N N 45 117.700 117.816 -0.116 1 1 392 . 5 1 1 A 46 46 ALA H H 46 7.630 7.738 -0.108 1 1 393 . 5 1 1 A 46 46 ALA HA H 46 3.740 4.006 -0.266 1 1 397 . 5 1 1 A 46 46 ALA C C 46 177.100 179.171 -2.071 1 1 398 . 5 1 1 A 46 46 ALA CA C 46 55.300 54.698 0.602 1 1 399 . 5 1 1 A 46 46 ALA CB C 46 17.500 18.416 -0.916 1 1 400 . 5 1 1 A 46 46 ALA N N 46 123.700 122.508 1.192 1 1 401 . 5 1 1 A 47 47 ALA H H 47 7.330 7.882 -0.552 1 1 402 . 5 1 1 A 47 47 ALA HA H 47 1.790 2.439 -0.649 1 1 406 . 5 1 1 A 47 47 ALA C C 47 178.600 179.373 -0.773 1 1 407 . 5 1 1 A 47 47 ALA CA C 47 53.200 54.421 -1.221 1 1 408 . 5 1 1 A 47 47 ALA CB C 47 17.700 17.654 0.046 1 1 409 . 5 1 1 A 47 47 ALA N N 47 118.100 119.190 -1.090 1 1 410 . 5 1 1 A 48 48 GLU H H 48 7.020 7.417 -0.397 1 1 411 . 5 1 1 A 48 48 GLU HA H 48 3.840 4.011 -0.171 1 1 415 . 5 1 1 A 48 48 GLU C C 48 177.100 179.041 -1.941 1 1 416 . 5 1 1 A 48 48 GLU CA C 48 57.300 58.916 -1.616 1 1 417 . 5 1 1 A 48 48 GLU CB C 48 29.900 29.272 0.628 1 1 418 . 5 1 1 A 48 48 GLU N N 48 112.900 118.256 -5.356 1 1 419 . 5 1 1 A 49 49 ALA H H 49 7.250 7.576 -0.326 1 1 420 . 5 1 1 A 49 49 ALA HA H 49 4.250 4.101 0.149 1 1 424 . 5 1 1 A 49 49 ALA C C 49 176.900 177.481 -0.581 1 1 425 . 5 1 1 A 49 49 ALA CA C 49 52.600 54.285 -1.685 1 1 426 . 5 1 1 A 49 49 ALA CB C 49 20.100 18.509 1.591 1 1 427 . 5 1 1 A 49 49 ALA N N 49 119.800 121.193 -1.393 1 1 428 . 5 1 1 A 50 50 ILE H H 50 7.030 6.972 0.058 1 1 429 . 5 1 1 A 50 50 ILE HA H 50 4.370 4.603 -0.233 1 1 439 . 5 1 1 A 50 50 ILE C C 50 174.300 175.205 -0.905 1 1 440 . 5 1 1 A 50 50 ILE CA C 50 59.700 59.391 0.309 1 1 441 . 5 1 1 A 50 50 ILE CB C 50 39.400 40.877 -1.477 1 1 442 . 5 1 1 A 50 50 ILE N N 50 119.300 114.458 4.842 1 1 443 . 5 1 1 A 51 51 ASP H H 51 8.390 8.837 -0.447 1 1 444 . 5 1 1 A 51 51 ASP HA H 51 4.830 5.064 -0.234 1 1 446 . 5 1 1 A 51 51 ASP C C 51 177.500 177.219 0.281 1 1 447 . 5 1 1 A 51 51 ASP CA C 51 54.300 53.139 1.161 1 1 448 . 5 1 1 A 51 51 ASP CB C 51 42.200 40.641 1.559 1 1 449 . 5 1 1 A 51 51 ASP N N 51 123.200 124.306 -1.106 1 1 450 . 5 1 1 A 52 52 ASP H H 52 8.530 8.133 0.397 1 1 451 . 5 1 1 A 52 52 ASP HA H 52 4.570 4.411 0.159 1 1 454 . 5 1 1 A 52 52 ASP C C 52 175.000 175.982 -0.982 1 1 455 . 5 1 1 A 52 52 ASP CA C 52 54.600 56.823 -2.223 1 1 456 . 5 1 1 A 52 52 ASP CB C 52 40.200 41.261 -1.061 1 1 457 . 5 1 1 A 52 52 ASP N N 52 116.000 119.429 -3.429 1 1 458 . 5 1 1 A 53 53 ILE H H 53 7.150 7.676 -0.526 1 1 459 . 5 1 1 A 53 53 ILE HA H 53 4.570 4.463 0.107 1 1 469 . 5 1 1 A 53 53 ILE CA C 53 57.700 57.239 0.461 1 1 470 . 5 1 1 A 53 53 ILE CB C 53 42.000 40.422 1.578 1 1 471 . 5 1 1 A 53 53 ILE N N 53 119.300 117.617 1.683 1 1 472 . 5 1 1 A 54 54 PRO C C 54 175.100 175.233 -0.133 1 1 473 . 5 1 1 A 54 54 PRO CA C 54 62.700 62.840 -0.140 1 1 474 . 5 1 1 A 54 54 PRO CB C 54 32.500 32.094 0.406 1 1 475 . 5 1 1 A 55 55 PHE H H 55 8.780 8.346 0.434 1 1 476 . 5 1 1 A 55 55 PHE HA H 55 5.840 5.688 0.152 1 1 479 . 5 1 1 A 55 55 PHE C C 55 176.900 175.260 1.640 1 1 480 . 5 1 1 A 55 55 PHE CA C 55 55.600 55.880 -0.280 1 1 481 . 5 1 1 A 55 55 PHE CB C 55 42.000 43.288 -1.288 1 1 482 . 5 1 1 A 55 55 PHE N N 55 119.900 121.511 -1.611 1 1 483 . 5 1 1 A 56 56 GLY H H 56 9.510 9.447 0.063 1 1 484 . 5 1 1 A 56 56 GLY HA2 H 56 3.350 4.272 -0.922 1 1 485 . 5 1 1 A 56 56 GLY HA3 H 56 5.620 4.333 1.287 1 1 486 . 5 1 1 A 56 56 GLY C C 56 170.800 172.934 -2.134 1 1 487 . 5 1 1 A 56 56 GLY CA C 56 43.400 44.000 -0.600 1 1 488 . 5 1 1 A 56 56 GLY N N 56 109.000 109.099 -0.099 1 1 489 . 5 1 1 A 57 57 ILE H H 57 8.930 8.295 0.635 1 1 490 . 5 1 1 A 57 57 ILE HA H 57 5.570 5.597 -0.027 1 1 499 . 5 1 1 A 57 57 ILE C C 57 172.000 174.331 -2.331 1 1 500 . 5 1 1 A 57 57 ILE CA C 57 58.400 58.743 -0.343 1 1 501 . 5 1 1 A 57 57 ILE CB C 57 42.900 42.463 0.437 1 1 502 . 5 1 1 A 57 57 ILE N N 57 120.800 117.710 3.090 1 1 503 . 5 1 1 A 58 58 THR H H 58 8.660 8.902 -0.242 1 1 504 . 5 1 1 A 58 58 THR HA H 58 4.960 4.758 0.202 1 1 509 . 5 1 1 A 58 58 THR C C 58 170.000 174.131 -4.131 1 1 510 . 5 1 1 A 58 58 THR CA C 58 60.100 61.409 -1.309 1 1 511 . 5 1 1 A 58 58 THR CB C 58 72.100 69.965 2.135 1 1 512 . 5 1 1 A 58 58 THR N N 58 121.200 116.367 4.833 1 1 513 . 5 1 1 A 59 59 SER H H 59 8.710 8.790 -0.080 1 1 514 . 5 1 1 A 59 59 SER HA H 59 5.200 4.784 0.416 1 1 517 . 5 1 1 A 59 59 SER C C 59 173.900 174.525 -0.625 1 1 518 . 5 1 1 A 59 59 SER CA C 59 56.700 58.941 -2.241 1 1 519 . 5 1 1 A 59 59 SER CB C 59 65.700 66.030 -0.330 1 1 520 . 5 1 1 A 59 59 SER N N 59 119.900 119.901 -0.001 1 1 521 . 5 1 1 A 60 60 ASN H H 60 8.030 7.638 0.392 1 1 522 . 5 1 1 A 60 60 ASN HA H 60 4.790 4.706 0.084 1 1 524 . 5 1 1 A 60 60 ASN CA C 60 53.200 53.639 -0.439 1 1 525 . 5 1 1 A 60 60 ASN CB C 60 39.500 38.752 0.748 1 1 526 . 5 1 1 A 60 60 ASN N N 60 122.200 119.059 3.141 1 1 528 . 5 1 1 A 61 61 SER C C 61 175.900 176.599 -0.699 1 1 529 . 5 1 1 A 61 61 SER CA C 61 62.500 62.196 0.304 1 1 530 . 5 1 1 A 61 61 SER CB C 61 62.500 63.031 -0.531 1 1 531 . 5 1 1 A 62 62 ASP H H 62 8.630 8.328 0.302 1 1 532 . 5 1 1 A 62 62 ASP HA H 62 4.530 4.450 0.080 1 1 535 . 5 1 1 A 62 62 ASP C C 62 179.000 178.849 0.151 1 1 536 . 5 1 1 A 62 62 ASP CA C 62 57.400 57.482 -0.082 1 1 537 . 5 1 1 A 62 62 ASP CB C 62 40.000 40.519 -0.519 1 1 538 . 5 1 1 A 62 62 ASP N N 62 122.200 122.570 -0.370 1 1 539 . 5 1 1 A 63 63 VAL H H 63 8.030 7.787 0.243 1 1 540 . 5 1 1 A 63 63 VAL HA H 63 3.750 3.664 0.086 1 1 548 . 5 1 1 A 63 63 VAL C C 63 177.900 178.216 -0.316 1 1 549 . 5 1 1 A 63 63 VAL CA C 63 65.800 66.504 -0.704 1 1 550 . 5 1 1 A 63 63 VAL CB C 63 30.700 31.731 -1.031 1 1 551 . 5 1 1 A 63 63 VAL N N 63 122.400 120.506 1.894 1 1 552 . 5 1 1 A 64 64 PHE H H 64 7.980 8.056 -0.076 1 1 553 . 5 1 1 A 64 64 PHE HA H 64 4.200 4.525 -0.325 1 1 556 . 5 1 1 A 64 64 PHE C C 64 178.800 178.417 0.383 1 1 557 . 5 1 1 A 64 64 PHE CA C 64 61.700 60.338 1.362 1 1 558 . 5 1 1 A 64 64 PHE CB C 64 37.500 38.673 -1.173 1 1 559 . 5 1 1 A 64 64 PHE N N 64 120.100 119.485 0.615 1 1 560 . 5 1 1 A 65 65 SER H H 65 8.090 8.046 0.044 1 1 561 . 5 1 1 A 65 65 SER HA H 65 4.210 4.174 0.036 1 1 563 . 5 1 1 A 65 65 SER C C 65 177.800 177.490 0.310 1 1 564 . 5 1 1 A 65 65 SER CA C 65 61.600 61.651 -0.051 1 1 565 . 5 1 1 A 65 65 SER CB C 65 62.300 63.024 -0.724 1 1 566 . 5 1 1 A 65 65 SER N N 65 112.100 115.020 -2.920 1 1 567 . 5 1 1 A 66 66 LYS H H 66 7.650 7.962 -0.312 1 1 568 . 5 1 1 A 66 66 LYS HA H 66 3.870 4.153 -0.283 1 1 572 . 5 1 1 A 66 66 LYS C C 66 176.700 177.990 -1.290 1 1 573 . 5 1 1 A 66 66 LYS CA C 66 58.900 59.333 -0.433 1 1 574 . 5 1 1 A 66 66 LYS CB C 66 32.700 32.265 0.435 1 1 575 . 5 1 1 A 66 66 LYS N N 66 124.100 121.790 2.310 1 1 576 . 5 1 1 A 67 67 TYR H H 67 7.040 7.640 -0.600 1 1 577 . 5 1 1 A 67 67 TYR HA H 67 4.640 4.643 -0.003 1 1 580 . 5 1 1 A 67 67 TYR C C 67 173.600 175.058 -1.458 1 1 581 . 5 1 1 A 67 67 TYR CA C 67 58.400 59.046 -0.646 1 1 582 . 5 1 1 A 67 67 TYR CB C 67 37.700 39.344 -1.644 1 1 583 . 5 1 1 A 67 67 TYR N N 67 113.800 116.713 -2.913 1 1 584 . 5 1 1 A 68 68 GLN H H 68 7.850 8.038 -0.188 1 1 585 . 5 1 1 A 68 68 GLN HA H 68 3.830 3.877 -0.047 1 1 588 . 5 1 1 A 68 68 GLN C C 68 174.700 174.396 0.304 1 1 589 . 5 1 1 A 68 68 GLN CA C 68 57.400 56.930 0.470 1 1 590 . 5 1 1 A 68 68 GLN CB C 68 25.000 27.003 -2.003 1 1 591 . 5 1 1 A 68 68 GLN N N 68 113.700 119.184 -5.484 1 1 592 . 5 1 1 A 69 69 LEU H H 69 8.070 8.136 -0.066 1 1 593 . 5 1 1 A 69 69 LEU HA H 69 4.530 5.015 -0.485 1 1 602 . 5 1 1 A 69 69 LEU C C 69 176.800 174.855 1.945 1 1 603 . 5 1 1 A 69 69 LEU CA C 69 54.900 53.662 1.238 1 1 604 . 5 1 1 A 69 69 LEU CB C 69 43.200 46.726 -3.526 1 1 605 . 5 1 1 A 69 69 LEU N N 69 120.800 118.823 1.977 1 1 606 . 5 1 1 A 70 70 ASP H H 70 8.580 8.280 0.300 1 1 607 . 5 1 1 A 70 70 ASP HA H 70 4.650 3.243 1.407 1 1 610 . 5 1 1 A 70 70 ASP C C 70 174.800 175.041 -0.241 1 1 611 . 5 1 1 A 70 70 ASP CA C 70 53.200 52.694 0.506 1 1 612 . 5 1 1 A 70 70 ASP CB C 70 41.600 41.130 0.470 1 1 613 . 5 1 1 A 70 70 ASP N N 70 120.400 118.627 1.773 1 1 614 . 5 1 1 A 71 71 LYS H H 71 7.720 7.256 0.464 1 1 615 . 5 1 1 A 71 71 LYS HA H 71 4.550 4.684 -0.134 1 1 619 . 5 1 1 A 71 71 LYS C C 71 173.100 174.982 -1.882 1 1 620 . 5 1 1 A 71 71 LYS CA C 71 54.300 54.286 0.014 1 1 621 . 5 1 1 A 71 71 LYS CB C 71 34.100 35.588 -1.488 1 1 622 . 5 1 1 A 71 71 LYS N N 71 117.300 116.551 0.749 1 1 623 . 5 1 1 A 72 72 ASP H H 72 7.780 8.704 -0.924 1 1 624 . 5 1 1 A 72 72 ASP HA H 72 4.650 4.484 0.166 1 1 627 . 5 1 1 A 72 72 ASP C C 72 177.600 176.192 1.408 1 1 628 . 5 1 1 A 72 72 ASP CA C 72 54.500 55.462 -0.962 1 1 629 . 5 1 1 A 72 72 ASP CB C 72 41.500 40.847 0.653 1 1 630 . 5 1 1 A 72 72 ASP N N 72 116.900 122.368 -5.468 1 1 631 . 5 1 1 A 73 73 GLY H H 73 8.660 8.595 0.065 1 1 632 . 5 1 1 A 73 73 GLY HA2 H 73 3.890 4.070 -0.180 1 1 633 . 5 1 1 A 73 73 GLY C C 73 169.700 172.381 -2.681 1 1 634 . 5 1 1 A 73 73 GLY CA C 73 45.500 44.882 0.618 1 1 635 . 5 1 1 A 73 73 GLY N N 73 107.400 108.509 -1.109 1 1 636 . 5 1 1 A 74 74 VAL H H 74 8.490 8.182 0.308 1 1 637 . 5 1 1 A 74 74 VAL HA H 74 4.840 5.165 -0.325 1 1 642 . 5 1 1 A 74 74 VAL C C 74 173.500 175.380 -1.880 1 1 643 . 5 1 1 A 74 74 VAL CA C 74 61.300 60.771 0.529 1 1 644 . 5 1 1 A 74 74 VAL CB C 74 35.500 34.133 1.367 1 1 645 . 5 1 1 A 74 74 VAL N N 74 117.900 121.290 -3.390 1 1 646 . 5 1 1 A 75 75 VAL H H 75 8.930 9.554 -0.624 1 1 647 . 5 1 1 A 75 75 VAL HA H 75 4.580 5.357 -0.777 1 1 655 . 5 1 1 A 75 75 VAL C C 75 172.700 173.803 -1.103 1 1 656 . 5 1 1 A 75 75 VAL CA C 75 61.100 60.542 0.558 1 1 657 . 5 1 1 A 75 75 VAL CB C 75 35.600 36.207 -0.607 1 1 658 . 5 1 1 A 75 75 VAL N N 75 126.900 126.703 0.197 1 1 659 . 5 1 1 A 76 76 LEU H H 76 8.690 8.960 -0.270 1 1 660 . 5 1 1 A 76 76 LEU HA H 76 4.980 5.298 -0.318 1 1 666 . 5 1 1 A 76 76 LEU C C 76 173.400 174.888 -1.488 1 1 667 . 5 1 1 A 76 76 LEU CA C 76 54.200 53.640 0.560 1 1 668 . 5 1 1 A 76 76 LEU CB C 76 46.000 44.664 1.336 1 1 669 . 5 1 1 A 76 76 LEU N N 76 128.000 128.618 -0.618 1 1 670 . 5 1 1 A 77 77 PHE H H 77 9.600 9.639 -0.039 1 1 671 . 5 1 1 A 77 77 PHE HA H 77 4.930 5.780 -0.850 1 1 674 . 5 1 1 A 77 77 PHE C C 77 173.800 174.290 -0.490 1 1 675 . 5 1 1 A 77 77 PHE CA C 77 56.800 56.832 -0.032 1 1 676 . 5 1 1 A 77 77 PHE CB C 77 42.100 41.179 0.921 1 1 677 . 5 1 1 A 77 77 PHE N N 77 126.500 125.850 0.650 1 1 678 . 5 1 1 A 78 78 LYS H H 78 8.410 8.848 -0.438 1 1 679 . 5 1 1 A 78 78 LYS HA H 78 5.410 4.810 0.600 1 1 684 . 5 1 1 A 78 78 LYS C C 78 176.600 176.147 0.453 1 1 685 . 5 1 1 A 78 78 LYS CA C 78 53.500 54.302 -0.802 1 1 686 . 5 1 1 A 78 78 LYS CB C 78 34.600 35.936 -1.336 1 1 687 . 5 1 1 A 78 78 LYS N N 78 115.800 121.949 -6.149 1 1 688 . 5 1 1 A 79 79 LYS H H 79 8.010 8.584 -0.574 1 1 689 . 5 1 1 A 79 79 LYS HA H 79 4.370 4.099 0.271 1 1 693 . 5 1 1 A 79 79 LYS C C 79 175.000 176.050 -1.050 1 1 694 . 5 1 1 A 79 79 LYS CA C 79 56.000 58.765 -2.765 1 1 695 . 5 1 1 A 79 79 LYS CB C 79 31.900 32.876 -0.976 1 1 696 . 5 1 1 A 79 79 LYS N N 79 121.400 125.294 -3.894 1 1 697 . 5 1 1 A 80 80 PHE H H 80 6.620 7.439 -0.819 1 1 698 . 5 1 1 A 80 80 PHE HA H 80 4.880 5.005 -0.125 1 1 700 . 5 1 1 A 80 80 PHE C C 80 174.000 174.920 -0.920 1 1 701 . 5 1 1 A 80 80 PHE CA C 80 54.400 55.981 -1.581 1 1 702 . 5 1 1 A 80 80 PHE CB C 80 40.400 41.571 -1.171 1 1 703 . 5 1 1 A 80 80 PHE N N 80 113.500 113.619 -0.119 1 1 704 . 5 1 1 A 81 81 ASP H H 81 8.980 9.085 -0.105 1 1 705 . 5 1 1 A 81 81 ASP HA H 81 4.270 4.557 -0.287 1 1 708 . 5 1 1 A 81 81 ASP C C 81 176.600 176.575 0.025 1 1 709 . 5 1 1 A 81 81 ASP CA C 81 56.000 56.064 -0.064 1 1 710 . 5 1 1 A 81 81 ASP CB C 81 40.200 40.356 -0.156 1 1 711 . 5 1 1 A 81 81 ASP N N 81 117.700 118.731 -1.031 1 1 712 . 5 1 1 A 82 82 GLU H H 82 10.320 8.913 1.407 1 1 713 . 5 1 1 A 82 82 GLU HA H 82 4.340 4.232 0.108 1 1 716 . 5 1 1 A 82 82 GLU C C 82 178.700 177.220 1.480 1 1 717 . 5 1 1 A 82 82 GLU CA C 82 58.200 56.629 1.571 1 1 718 . 5 1 1 A 82 82 GLU CB C 82 28.600 30.010 -1.410 1 1 719 . 5 1 1 A 82 82 GLU N N 82 123.900 125.578 -1.678 1 1 720 . 5 1 1 A 83 83 GLY H H 83 7.780 8.769 -0.989 1 1 721 . 5 1 1 A 83 83 GLY HA2 H 83 4.150 3.929 0.221 1 1 722 . 5 1 1 A 83 83 GLY HA3 H 83 4.290 3.953 0.337 1 1 723 . 5 1 1 A 83 83 GLY C C 83 174.400 173.373 1.027 1 1 724 . 5 1 1 A 83 83 GLY CA C 83 46.600 45.671 0.929 1 1 725 . 5 1 1 A 83 83 GLY N N 83 109.200 109.982 -0.782 1 1 726 . 5 1 1 A 84 84 ARG H H 84 7.200 7.615 -0.415 1 1 727 . 5 1 1 A 84 84 ARG HA H 84 5.210 5.933 -0.723 1 1 731 . 5 1 1 A 84 84 ARG C C 84 174.000 174.366 -0.366 1 1 732 . 5 1 1 A 84 84 ARG CA C 84 55.000 54.437 0.563 1 1 733 . 5 1 1 A 84 84 ARG CB C 84 32.500 33.172 -0.672 1 1 734 . 5 1 1 A 84 84 ARG N N 84 121.000 116.249 4.751 1 1 735 . 5 1 1 A 85 85 ASN H H 85 9.270 9.153 0.117 1 1 736 . 5 1 1 A 85 85 ASN HA H 85 5.000 5.492 -0.492 1 1 739 . 5 1 1 A 85 85 ASN C C 85 172.900 173.896 -0.996 1 1 740 . 5 1 1 A 85 85 ASN CA C 85 53.800 52.138 1.662 1 1 741 . 5 1 1 A 85 85 ASN CB C 85 43.600 40.609 2.991 1 1 742 . 5 1 1 A 85 85 ASN N N 85 121.600 121.473 0.127 1 1 743 . 5 1 1 A 86 86 ASN H H 86 9.150 9.021 0.129 1 1 744 . 5 1 1 A 86 86 ASN HA H 86 5.000 5.518 -0.518 1 1 746 . 5 1 1 A 86 86 ASN C C 86 174.400 175.530 -1.130 1 1 747 . 5 1 1 A 86 86 ASN CA C 86 52.400 52.974 -0.574 1 1 748 . 5 1 1 A 86 86 ASN CB C 86 38.600 39.597 -0.997 1 1 749 . 5 1 1 A 86 86 ASN N N 86 123.200 123.596 -0.396 1 1 750 . 5 1 1 A 87 87 PHE H H 87 8.380 9.278 -0.898 1 1 751 . 5 1 1 A 87 87 PHE HA H 87 3.460 4.109 -0.649 1 1 754 . 5 1 1 A 87 87 PHE C C 87 174.600 176.553 -1.953 1 1 755 . 5 1 1 A 87 87 PHE CA C 87 59.000 58.717 0.283 1 1 756 . 5 1 1 A 87 87 PHE CB C 87 39.000 39.906 -0.906 1 1 757 . 5 1 1 A 87 87 PHE N N 87 124.900 126.607 -1.707 1 1 758 . 5 1 1 A 88 88 GLU H H 88 7.450 8.926 -1.476 1 1 759 . 5 1 1 A 88 88 GLU HA H 88 4.270 3.991 0.279 1 1 763 . 5 1 1 A 88 88 GLU C C 88 173.900 177.378 -3.478 1 1 764 . 5 1 1 A 88 88 GLU CA C 88 54.800 59.727 -4.927 1 1 765 . 5 1 1 A 88 88 GLU CB C 88 31.700 30.099 1.601 1 1 766 . 5 1 1 A 88 88 GLU N N 88 128.600 125.703 2.897 1 1 767 . 5 1 1 A 89 89 GLY H H 89 7.050 7.624 -0.574 1 1 768 . 5 1 1 A 89 89 GLY HA2 H 89 3.700 3.939 -0.239 1 1 769 . 5 1 1 A 89 89 GLY HA3 H 89 3.840 3.966 -0.126 1 1 770 . 5 1 1 A 89 89 GLY C C 89 172.600 174.370 -1.770 1 1 771 . 5 1 1 A 89 89 GLY CA C 89 43.400 45.459 -2.059 1 1 772 . 5 1 1 A 89 89 GLY N N 89 108.600 106.863 1.737 1 1 773 . 5 1 1 A 90 90 GLU H H 90 8.450 7.413 1.037 1 1 774 . 5 1 1 A 90 90 GLU HA H 90 4.290 4.275 0.015 1 1 778 . 5 1 1 A 90 90 GLU C C 90 177.400 175.768 1.632 1 1 779 . 5 1 1 A 90 90 GLU CA C 90 56.200 56.452 -0.252 1 1 780 . 5 1 1 A 90 90 GLU CB C 90 29.900 29.805 0.095 1 1 781 . 5 1 1 A 90 90 GLU N N 90 120.400 120.352 0.048 1 1 782 . 5 1 1 A 91 91 VAL H H 91 9.140 8.478 0.662 1 1 783 . 5 1 1 A 91 91 VAL HA H 91 3.730 4.207 -0.477 1 1 791 . 5 1 1 A 91 91 VAL C C 91 173.600 175.155 -1.555 1 1 792 . 5 1 1 A 91 91 VAL CA C 91 64.400 61.133 3.267 1 1 793 . 5 1 1 A 91 91 VAL CB C 91 29.800 32.768 -2.968 1 1 794 . 5 1 1 A 91 91 VAL N N 91 126.500 121.829 4.671 1 1 795 . 5 1 1 A 92 92 THR H H 92 7.210 7.899 -0.689 1 1 796 . 5 1 1 A 92 92 THR HA H 92 4.630 5.102 -0.472 1 1 801 . 5 1 1 A 92 92 THR C C 92 174.100 175.102 -1.002 1 1 802 . 5 1 1 A 92 92 THR CA C 92 58.000 59.625 -1.625 1 1 803 . 5 1 1 A 92 92 THR CB C 92 72.400 72.161 0.239 1 1 804 . 5 1 1 A 92 92 THR N N 92 117.900 117.895 0.005 1 1 805 . 5 1 1 A 93 93 LYS H H 93 9.360 8.826 0.534 1 1 806 . 5 1 1 A 93 93 LYS HA H 93 3.680 4.052 -0.372 1 1 810 . 5 1 1 A 93 93 LYS C C 93 177.100 178.439 -1.339 1 1 811 . 5 1 1 A 93 93 LYS CA C 93 60.700 59.258 1.442 1 1 812 . 5 1 1 A 93 93 LYS CB C 93 32.100 31.983 0.117 1 1 813 . 5 1 1 A 93 93 LYS N N 93 124.100 122.930 1.170 1 1 814 . 5 1 1 A 94 94 GLU H H 94 9.120 8.046 1.074 1 1 815 . 5 1 1 A 94 94 GLU HA H 94 3.900 4.128 -0.228 1 1 819 . 5 1 1 A 94 94 GLU C C 94 179.100 179.231 -0.131 1 1 820 . 5 1 1 A 94 94 GLU CA C 94 60.700 59.318 1.382 1 1 821 . 5 1 1 A 94 94 GLU CB C 94 28.700 29.451 -0.751 1 1 822 . 5 1 1 A 94 94 GLU N N 94 116.600 119.605 -3.005 1 1 823 . 5 1 1 A 95 95 ASN H H 95 8.020 8.422 -0.402 1 1 824 . 5 1 1 A 95 95 ASN HA H 95 4.650 4.601 0.049 1 1 827 . 5 1 1 A 95 95 ASN C C 95 179.700 178.299 1.401 1 1 828 . 5 1 1 A 95 95 ASN CA C 95 55.300 56.386 -1.086 1 1 829 . 5 1 1 A 95 95 ASN CB C 95 37.500 38.108 -0.608 1 1 830 . 5 1 1 A 95 95 ASN N N 95 118.100 119.186 -1.086 1 1 831 . 5 1 1 A 96 96 LEU H H 96 8.550 8.176 0.374 1 1 832 . 5 1 1 A 96 96 LEU HA H 96 3.960 4.631 -0.671 1 1 842 . 5 1 1 A 96 96 LEU C C 96 178.400 179.248 -0.848 1 1 843 . 5 1 1 A 96 96 LEU CA C 96 57.500 58.510 -1.010 1 1 844 . 5 1 1 A 96 96 LEU CB C 96 42.200 41.747 0.453 1 1 845 . 5 1 1 A 96 96 LEU N N 96 121.600 117.648 3.952 1 1 846 . 5 1 1 A 97 97 LEU H H 97 8.500 8.271 0.229 1 1 847 . 5 1 1 A 97 97 LEU HA H 97 4.010 4.030 -0.020 1 1 853 . 5 1 1 A 97 97 LEU C C 97 179.200 179.221 -0.021 1 1 854 . 5 1 1 A 97 97 LEU CA C 97 58.900 58.131 0.769 1 1 855 . 5 1 1 A 97 97 LEU CB C 97 40.900 41.286 -0.386 1 1 856 . 5 1 1 A 97 97 LEU N N 97 120.100 120.502 -0.402 1 1 857 . 5 1 1 A 98 98 ASP H H 98 7.660 8.136 -0.476 1 1 858 . 5 1 1 A 98 98 ASP HA H 98 4.410 4.169 0.241 1 1 861 . 5 1 1 A 98 98 ASP C C 98 177.800 178.694 -0.894 1 1 862 . 5 1 1 A 98 98 ASP CA C 98 57.700 57.299 0.401 1 1 863 . 5 1 1 A 98 98 ASP CB C 98 41.100 40.598 0.502 1 1 864 . 5 1 1 A 98 98 ASP N N 98 118.700 119.483 -0.783 1 1 865 . 5 1 1 A 99 99 PHE H H 99 7.900 8.265 -0.365 1 1 866 . 5 1 1 A 99 99 PHE HA H 99 4.530 4.085 0.445 1 1 869 . 5 1 1 A 99 99 PHE C C 99 177.600 177.241 0.359 1 1 870 . 5 1 1 A 99 99 PHE CA C 99 60.400 61.393 -0.993 1 1 871 . 5 1 1 A 99 99 PHE CB C 99 39.800 39.078 0.722 1 1 872 . 5 1 1 A 99 99 PHE N N 99 120.800 121.634 -0.834 1 1 873 . 5 1 1 A 100 100 ILE H H 100 8.780 8.742 0.038 1 1 874 . 5 1 1 A 100 100 ILE HA H 100 3.120 3.784 -0.664 1 1 883 . 5 1 1 A 100 100 ILE C C 100 177.400 177.883 -0.483 1 1 884 . 5 1 1 A 100 100 ILE CA C 100 65.500 65.181 0.319 1 1 885 . 5 1 1 A 100 100 ILE CB C 100 38.500 37.981 0.519 1 1 886 . 5 1 1 A 100 100 ILE N N 100 121.400 120.979 0.421 1 1 887 . 5 1 1 A 101 101 LYS H H 101 8.210 7.994 0.216 1 1 888 . 5 1 1 A 101 101 LYS HA H 101 4.200 4.139 0.061 1 1 893 . 5 1 1 A 101 101 LYS C C 101 179.400 179.495 -0.095 1 1 894 . 5 1 1 A 101 101 LYS CA C 101 59.300 58.870 0.430 1 1 895 . 5 1 1 A 101 101 LYS CB C 101 31.800 32.321 -0.521 1 1 896 . 5 1 1 A 101 101 LYS N N 101 117.900 119.344 -1.444 1 1 897 . 5 1 1 A 102 102 HIS H H 102 7.870 8.459 -0.589 1 1 898 . 5 1 1 A 102 102 HIS HA H 102 4.420 4.406 0.014 1 1 900 . 5 1 1 A 102 102 HIS C C 102 175.900 176.532 -0.632 1 1 901 . 5 1 1 A 102 102 HIS CA C 102 58.400 59.659 -1.259 1 1 902 . 5 1 1 A 102 102 HIS CB C 102 30.100 29.939 0.161 1 1 903 . 5 1 1 A 102 102 HIS N N 102 113.900 118.249 -4.349 1 1 904 . 5 1 1 A 103 103 ASN H H 103 7.270 7.892 -0.622 1 1 905 . 5 1 1 A 103 103 ASN HA H 103 4.840 4.535 0.305 1 1 908 . 5 1 1 A 103 103 ASN C C 103 174.500 177.100 -2.600 1 1 909 . 5 1 1 A 103 103 ASN CA C 103 54.400 53.642 0.758 1 1 910 . 5 1 1 A 103 103 ASN CB C 103 41.100 39.057 2.043 1 1 911 . 5 1 1 A 103 103 ASN N N 103 113.900 116.499 -2.599 1 1 912 . 5 1 1 A 104 104 GLN H H 104 7.650 8.238 -0.588 1 1 913 . 5 1 1 A 104 104 GLN HA H 104 4.250 4.133 0.117 1 1 917 . 5 1 1 A 104 104 GLN C C 104 173.800 176.163 -2.363 1 1 918 . 5 1 1 A 104 104 GLN CA C 104 57.400 57.786 -0.386 1 1 919 . 5 1 1 A 104 104 GLN CB C 104 28.900 28.630 0.270 1 1 920 . 5 1 1 A 104 104 GLN N N 104 115.000 118.630 -3.630 1 1 921 . 5 1 1 A 105 105 LEU H H 105 7.500 7.488 0.012 1 1 922 . 5 1 1 A 105 105 LEU HA H 105 4.720 4.809 -0.089 1 1 927 . 5 1 1 A 105 105 LEU CA C 105 51.800 52.346 -0.546 1 1 928 . 5 1 1 A 105 105 LEU CB C 105 42.100 44.045 -1.945 1 1 929 . 5 1 1 A 105 105 LEU N N 105 119.700 120.169 -0.469 1 1 930 . 5 1 1 A 106 106 PRO HA H 106 4.380 4.593 -0.213 1 1 931 . 5 1 1 A 106 106 PRO C C 106 175.600 176.822 -1.222 1 1 932 . 5 1 1 A 106 106 PRO CA C 106 61.700 62.497 -0.797 1 1 933 . 5 1 1 A 106 106 PRO CB C 106 31.800 32.703 -0.903 1 1 934 . 5 1 1 A 107 107 LEU H H 107 9.440 8.894 0.546 1 1 935 . 5 1 1 A 107 107 LEU HA H 107 3.980 4.227 -0.247 1 1 941 . 5 1 1 A 107 107 LEU C C 107 177.100 176.719 0.381 1 1 942 . 5 1 1 A 107 107 LEU CA C 107 57.800 56.458 1.342 1 1 943 . 5 1 1 A 107 107 LEU CB C 107 42.700 42.160 0.540 1 1 944 . 5 1 1 A 107 107 LEU N N 107 123.400 120.027 3.373 1 1 945 . 5 1 1 A 108 108 VAL H H 108 7.730 7.511 0.219 1 1 946 . 5 1 1 A 108 108 VAL HA H 108 5.010 4.910 0.100 1 1 951 . 5 1 1 A 108 108 VAL C C 108 174.800 174.272 0.528 1 1 952 . 5 1 1 A 108 108 VAL CA C 108 59.400 59.873 -0.473 1 1 953 . 5 1 1 A 108 108 VAL CB C 108 34.400 34.454 -0.054 1 1 954 . 5 1 1 A 108 108 VAL N N 108 109.700 113.104 -3.404 1 1 955 . 5 1 1 A 109 109 ILE H H 109 8.700 8.722 -0.022 1 1 956 . 5 1 1 A 109 109 ILE HA H 109 4.210 4.873 -0.663 1 1 965 . 5 1 1 A 109 109 ILE C C 109 173.500 172.187 1.313 1 1 966 . 5 1 1 A 109 109 ILE CA C 109 59.900 58.817 1.083 1 1 967 . 5 1 1 A 109 109 ILE CB C 109 41.600 42.169 -0.569 1 1 968 . 5 1 1 A 109 109 ILE N N 109 124.500 123.494 1.006 1 1 969 . 5 1 1 A 110 110 GLU H H 110 8.410 8.216 0.194 1 1 970 . 5 1 1 A 110 110 GLU HA H 110 3.430 3.973 -0.543 1 1 973 . 5 1 1 A 110 110 GLU C C 110 176.000 176.516 -0.516 1 1 974 . 5 1 1 A 110 110 GLU CA C 110 54.700 55.830 -1.130 1 1 975 . 5 1 1 A 110 110 GLU CB C 110 29.800 30.423 -0.623 1 1 976 . 5 1 1 A 110 110 GLU N N 110 128.200 128.823 -0.623 1 1 977 . 5 1 1 A 111 111 PHE H H 111 8.680 8.867 -0.187 1 1 978 . 5 1 1 A 111 111 PHE HA H 111 3.850 4.519 -0.669 1 1 981 . 5 1 1 A 111 111 PHE C C 111 173.600 175.507 -1.907 1 1 982 . 5 1 1 A 111 111 PHE CA C 111 59.500 58.907 0.593 1 1 983 . 5 1 1 A 111 111 PHE CB C 111 40.200 39.489 0.711 1 1 984 . 5 1 1 A 111 111 PHE N N 111 128.800 125.743 3.057 1 1 985 . 5 1 1 A 112 112 THR H H 112 7.310 8.356 -1.046 1 1 986 . 5 1 1 A 112 112 THR HA H 112 4.500 4.835 -0.335 1 1 991 . 5 1 1 A 112 112 THR C C 112 173.700 173.753 -0.053 1 1 992 . 5 1 1 A 112 112 THR CA C 112 59.200 60.072 -0.872 1 1 993 . 5 1 1 A 112 112 THR CB C 112 73.500 70.338 3.162 1 1 994 . 5 1 1 A 112 112 THR N N 112 119.800 116.726 3.074 1 1 995 . 5 1 1 A 113 113 GLU H H 113 8.930 9.034 -0.104 1 1 996 . 5 1 1 A 113 113 GLU HA H 113 3.890 3.916 -0.026 1 1 1000 . 5 1 1 A 113 113 GLU C C 113 178.100 178.631 -0.531 1 1 1001 . 5 1 1 A 113 113 GLU CA C 113 59.100 59.605 -0.505 1 1 1002 . 5 1 1 A 113 113 GLU CB C 113 29.200 29.245 -0.045 1 1 1003 . 5 1 1 A 113 113 GLU N N 113 120.100 126.199 -6.099 1 1 1004 . 5 1 1 A 114 114 GLN H H 114 7.940 7.758 0.182 1 1 1005 . 5 1 1 A 114 114 GLN HA H 114 4.130 4.055 0.075 1 1 1008 . 5 1 1 A 114 114 GLN C C 114 177.800 178.426 -0.626 1 1 1009 . 5 1 1 A 114 114 GLN CA C 114 58.200 58.492 -0.292 1 1 1010 . 5 1 1 A 114 114 GLN CB C 114 28.600 28.106 0.494 1 1 1011 . 5 1 1 A 114 114 GLN N N 114 114.800 119.584 -4.784 1 1 1012 . 5 1 1 A 115 115 THR H H 115 7.500 7.846 -0.346 1 1 1013 . 5 1 1 A 115 115 THR HA H 115 4.180 3.665 0.515 1 1 1018 . 5 1 1 A 115 115 THR C C 115 175.800 176.020 -0.220 1 1 1019 . 5 1 1 A 115 115 THR CA C 115 61.900 66.322 -4.422 1 1 1020 . 5 1 1 A 115 115 THR CB C 115 69.400 68.407 0.993 1 1 1021 . 5 1 1 A 115 115 THR N N 115 109.000 116.516 -7.516 1 1 1022 . 5 1 1 A 116 116 ALA H H 116 7.770 7.758 0.012 1 1 1023 . 5 1 1 A 116 116 ALA HA H 116 3.840 3.430 0.410 1 1 1027 . 5 1 1 A 116 116 ALA CA C 116 56.800 56.526 0.274 1 1 1028 . 5 1 1 A 116 116 ALA CB C 116 16.100 16.579 -0.479 1 1 1029 . 5 1 1 A 116 116 ALA N N 116 125.500 122.710 2.790 1 1 1030 . 5 1 1 A 117 117 PRO HA H 117 4.370 3.638 0.732 1 1 1031 . 5 1 1 A 117 117 PRO C C 117 179.500 178.650 0.850 1 1 1032 . 5 1 1 A 117 117 PRO CA C 117 65.800 65.298 0.502 1 1 1033 . 5 1 1 A 117 117 PRO CB C 117 30.800 30.489 0.311 1 1 1034 . 5 1 1 A 118 118 LYS H H 118 7.260 7.836 -0.576 1 1 1035 . 5 1 1 A 118 118 LYS HA H 118 4.140 3.965 0.175 1 1 1039 . 5 1 1 A 118 118 LYS C C 118 178.300 179.336 -1.036 1 1 1040 . 5 1 1 A 118 118 LYS CA C 118 57.500 58.688 -1.188 1 1 1041 . 5 1 1 A 118 118 LYS CB C 118 32.200 31.621 0.579 1 1 1042 . 5 1 1 A 118 118 LYS N N 118 115.800 117.431 -1.631 1 1 1043 . 5 1 1 A 119 119 ILE H H 119 7.690 7.281 0.409 1 1 1044 . 5 1 1 A 119 119 ILE HA H 119 3.440 3.736 -0.296 1 1 1053 . 5 1 1 A 119 119 ILE C C 119 177.500 178.332 -0.832 1 1 1054 . 5 1 1 A 119 119 ILE CA C 119 64.400 64.117 0.283 1 1 1055 . 5 1 1 A 119 119 ILE CB C 119 38.700 37.413 1.287 1 1 1056 . 5 1 1 A 119 119 ILE N N 119 119.300 120.101 -0.801 1 1 1057 . 5 1 1 A 120 120 PHE H H 120 8.040 7.403 0.637 1 1 1058 . 5 1 1 A 120 120 PHE HA H 120 4.310 4.268 0.042 1 1 1061 . 5 1 1 A 120 120 PHE C C 120 176.800 178.157 -1.357 1 1 1062 . 5 1 1 A 120 120 PHE CA C 120 58.900 59.880 -0.980 1 1 1063 . 5 1 1 A 120 120 PHE CB C 120 38.400 37.880 0.520 1 1 1064 . 5 1 1 A 120 120 PHE N N 120 115.800 119.537 -3.737 1 1 1065 . 5 1 1 A 121 121 GLY H H 121 7.660 7.585 0.075 1 1 1066 . 5 1 1 A 121 121 GLY HA2 H 121 3.830 4.113 -0.283 1 1 1067 . 5 1 1 A 121 121 GLY HA3 H 121 4.350 4.147 0.203 1 1 1068 . 5 1 1 A 121 121 GLY C C 121 174.700 175.102 -0.402 1 1 1069 . 5 1 1 A 121 121 GLY CA C 121 45.300 44.642 0.658 1 1 1070 . 5 1 1 A 121 121 GLY N N 121 106.800 108.620 -1.820 1 1 1071 . 5 1 1 A 122 122 GLY H H 122 7.620 8.608 -0.988 1 1 1072 . 5 1 1 A 122 122 GLY HA2 H 122 4.000 3.908 0.092 1 1 1073 . 5 1 1 A 122 122 GLY HA3 H 122 4.320 3.984 0.336 1 1 1074 . 5 1 1 A 122 122 GLY C C 122 173.800 174.530 -0.730 1 1 1075 . 5 1 1 A 122 122 GLY CA C 122 44.800 45.574 -0.774 1 1 1076 . 5 1 1 A 122 122 GLY N N 122 108.400 108.687 -0.287 1 1 1077 . 5 1 1 A 123 123 GLU H H 123 8.490 8.989 -0.499 1 1 1078 . 5 1 1 A 123 123 GLU HA H 123 4.160 4.072 0.088 1 1 1082 . 5 1 1 A 123 123 GLU C C 123 177.700 175.958 1.742 1 1 1083 . 5 1 1 A 123 123 GLU CA C 123 57.900 57.346 0.554 1 1 1084 . 5 1 1 A 123 123 GLU CB C 123 30.400 28.533 1.867 1 1 1085 . 5 1 1 A 123 123 GLU N N 123 117.700 118.615 -0.915 1 1 1086 . 5 1 1 A 124 124 ILE H H 124 7.890 8.650 -0.760 1 1 1087 . 5 1 1 A 124 124 ILE HA H 124 4.090 3.943 0.147 1 1 1096 . 5 1 1 A 124 124 ILE C C 124 176.700 174.697 2.003 1 1 1097 . 5 1 1 A 124 124 ILE CA C 124 62.000 62.071 -0.071 1 1 1098 . 5 1 1 A 124 124 ILE CB C 124 37.500 35.585 1.915 1 1 1099 . 5 1 1 A 124 124 ILE N N 124 119.900 117.501 2.399 1 1 1100 . 5 1 1 A 125 125 LYS H H 125 8.600 7.990 0.610 1 1 1101 . 5 1 1 A 125 125 LYS HA H 125 4.590 4.829 -0.239 1 1 1104 . 5 1 1 A 125 125 LYS C C 125 174.400 173.955 0.445 1 1 1105 . 5 1 1 A 125 125 LYS CA C 125 55.600 54.796 0.804 1 1 1106 . 5 1 1 A 125 125 LYS CB C 125 33.000 36.757 -3.757 1 1 1107 . 5 1 1 A 125 125 LYS N N 125 125.500 124.186 1.314 1 1 1108 . 5 1 1 A 126 126 THR H H 126 6.860 8.810 -1.950 1 1 1109 . 5 1 1 A 126 126 THR HA H 126 4.940 5.303 -0.363 1 1 1114 . 5 1 1 A 126 126 THR C C 126 172.000 174.026 -2.026 1 1 1115 . 5 1 1 A 126 126 THR CA C 126 62.100 60.498 1.602 1 1 1116 . 5 1 1 A 126 126 THR CB C 126 69.700 70.856 -1.156 1 1 1117 . 5 1 1 A 126 126 THR N N 126 116.200 112.481 3.719 1 1 1118 . 5 1 1 A 127 127 HIS H H 127 8.870 8.326 0.544 1 1 1119 . 5 1 1 A 127 127 HIS HA H 127 5.470 5.445 0.025 1 1 1121 . 5 1 1 A 127 127 HIS C C 127 173.600 172.657 0.943 1 1 1122 . 5 1 1 A 127 127 HIS CA C 127 53.700 53.683 0.017 1 1 1123 . 5 1 1 A 127 127 HIS CB C 127 35.300 33.193 2.107 1 1 1124 . 5 1 1 A 127 127 HIS N N 127 125.900 119.274 6.626 1 1 1125 . 5 1 1 A 128 128 ILE H H 128 9.200 8.714 0.486 1 1 1126 . 5 1 1 A 128 128 ILE HA H 128 4.890 4.793 0.097 1 1 1134 . 5 1 1 A 128 128 ILE C C 128 171.100 174.227 -3.127 1 1 1135 . 5 1 1 A 128 128 ILE CA C 128 58.900 59.305 -0.405 1 1 1136 . 5 1 1 A 128 128 ILE CB C 128 40.200 39.621 0.579 1 1 1137 . 5 1 1 A 128 128 ILE N N 128 122.600 118.493 4.107 1 1 1138 . 5 1 1 A 129 129 LEU H H 129 9.070 9.121 -0.051 1 1 1139 . 5 1 1 A 129 129 LEU HA H 129 5.040 5.141 -0.101 1 1 1148 . 5 1 1 A 129 129 LEU C C 129 174.300 174.720 -0.420 1 1 1149 . 5 1 1 A 129 129 LEU CA C 129 53.400 53.383 0.017 1 1 1150 . 5 1 1 A 129 129 LEU CB C 129 43.600 44.550 -0.950 1 1 1151 . 5 1 1 A 129 129 LEU N N 129 128.800 127.206 1.594 1 1 1152 . 5 1 1 A 130 130 LEU H H 130 8.680 9.286 -0.606 1 1 1153 . 5 1 1 A 130 130 LEU HA H 130 4.640 5.289 -0.649 1 1 1162 . 5 1 1 A 130 130 LEU C C 130 174.400 174.909 -0.509 1 1 1163 . 5 1 1 A 130 130 LEU CA C 130 52.700 52.724 -0.024 1 1 1164 . 5 1 1 A 130 130 LEU CB C 130 41.600 46.435 -4.835 1 1 1165 . 5 1 1 A 130 130 LEU N N 130 123.200 128.252 -5.052 1 1 1166 . 5 1 1 A 131 131 PHE H H 131 9.100 9.053 0.047 1 1 1167 . 5 1 1 A 131 131 PHE HA H 131 4.630 4.830 -0.200 1 1 1170 . 5 1 1 A 131 131 PHE C C 131 173.600 174.454 -0.854 1 1 1171 . 5 1 1 A 131 131 PHE CA C 131 56.800 56.410 0.390 1 1 1172 . 5 1 1 A 131 131 PHE CB C 131 39.200 39.838 -0.638 1 1 1173 . 5 1 1 A 131 131 PHE N N 131 127.500 128.315 -0.815 1 1 1174 . 5 1 1 A 132 132 LEU H H 132 9.000 8.396 0.604 1 1 1175 . 5 1 1 A 132 132 LEU HA H 132 5.020 4.490 0.530 1 1 1183 . 5 1 1 A 132 132 LEU CA C 132 50.700 50.407 0.293 1 1 1184 . 5 1 1 A 132 132 LEU CB C 132 44.400 45.892 -1.492 1 1 1185 . 5 1 1 A 132 132 LEU N N 132 127.100 128.313 -1.213 1 1 1186 . 5 1 1 A 133 133 PRO HA H 133 4.770 4.196 0.574 1 1 1187 . 5 1 1 A 133 133 PRO C C 133 179.100 178.136 0.964 1 1 1188 . 5 1 1 A 133 133 PRO CA C 133 62.300 65.780 -3.480 1 1 1189 . 5 1 1 A 133 133 PRO CB C 133 31.600 31.354 0.246 1 1 1190 . 5 1 1 A 134 134 LYS H H 134 8.300 7.908 0.392 1 1 1191 . 5 1 1 A 134 134 LYS HA H 134 4.070 4.511 -0.441 1 1 1195 . 5 1 1 A 134 134 LYS C C 134 176.700 175.790 0.910 1 1 1196 . 5 1 1 A 134 134 LYS CA C 134 58.900 56.648 2.252 1 1 1197 . 5 1 1 A 134 134 LYS CB C 134 32.000 33.884 -1.884 1 1 1198 . 5 1 1 A 134 134 LYS N N 134 123.900 116.557 7.343 1 1 1199 . 5 1 1 A 135 135 SER H H 135 7.610 8.400 -0.790 1 1 1200 . 5 1 1 A 135 135 SER HA H 135 4.250 4.462 -0.212 1 1 1202 . 5 1 1 A 135 135 SER C C 135 175.200 174.970 0.230 1 1 1203 . 5 1 1 A 135 135 SER CA C 135 58.200 58.502 -0.302 1 1 1204 . 5 1 1 A 135 135 SER CB C 135 63.300 63.563 -0.263 1 1 1205 . 5 1 1 A 135 135 SER N N 135 108.200 110.355 -2.155 1 1 1206 . 5 1 1 A 136 136 VAL H H 136 7.500 8.065 -0.565 1 1 1207 . 5 1 1 A 136 136 VAL HA H 136 4.210 3.530 0.680 1 1 1215 . 5 1 1 A 136 136 VAL C C 136 175.100 175.760 -0.660 1 1 1216 . 5 1 1 A 136 136 VAL CA C 136 61.900 62.880 -0.980 1 1 1217 . 5 1 1 A 136 136 VAL CB C 136 32.600 30.183 2.417 1 1 1218 . 5 1 1 A 136 136 VAL N N 136 122.800 118.328 4.472 1 1 1219 . 5 1 1 A 137 137 SER H H 137 8.450 8.347 0.103 1 1 1220 . 5 1 1 A 137 137 SER HA H 137 4.300 4.747 -0.447 1 1 1222 . 5 1 1 A 137 137 SER C C 137 175.200 174.687 0.513 1 1 1223 . 5 1 1 A 137 137 SER CA C 137 59.700 59.940 -0.240 1 1 1224 . 5 1 1 A 137 137 SER CB C 137 63.000 61.666 1.334 1 1 1225 . 5 1 1 A 137 137 SER N N 137 120.800 118.955 1.845 1 1 1226 . 5 1 1 A 138 138 ASP H H 138 8.980 8.236 0.744 1 1 1227 . 5 1 1 A 138 138 ASP HA H 138 4.630 4.529 0.101 1 1 1230 . 5 1 1 A 138 138 ASP C C 138 174.800 177.237 -2.437 1 1 1231 . 5 1 1 A 138 138 ASP CA C 138 54.000 55.482 -1.482 1 1 1232 . 5 1 1 A 138 138 ASP CB C 138 39.300 40.510 -1.210 1 1 1233 . 5 1 1 A 138 138 ASP N N 138 122.400 120.961 1.439 1 1 1234 . 5 1 1 A 139 139 TYR H H 139 7.620 8.501 -0.881 1 1 1235 . 5 1 1 A 139 139 TYR HA H 139 3.530 4.107 -0.577 1 1 1238 . 5 1 1 A 139 139 TYR C C 139 176.400 177.767 -1.367 1 1 1239 . 5 1 1 A 139 139 TYR CA C 139 62.800 60.801 1.999 1 1 1240 . 5 1 1 A 139 139 TYR CB C 139 39.100 37.140 1.960 1 1 1241 . 5 1 1 A 139 139 TYR N N 139 120.500 118.856 1.644 1 1 1242 . 5 1 1 A 140 140 ASP H H 140 8.690 7.240 1.450 1 1 1243 . 5 1 1 A 140 140 ASP HA H 140 4.210 3.952 0.258 1 1 1245 . 5 1 1 A 140 140 ASP C C 140 179.300 178.915 0.385 1 1 1246 . 5 1 1 A 140 140 ASP CA C 140 57.200 56.929 0.271 1 1 1247 . 5 1 1 A 140 140 ASP CB C 140 40.400 40.207 0.193 1 1 1248 . 5 1 1 A 140 140 ASP N N 140 115.200 122.048 -6.848 1 1 1249 . 5 1 1 A 141 141 GLY H H 141 7.800 8.081 -0.281 1 1 1250 . 5 1 1 A 141 141 GLY HA2 H 141 3.800 3.677 0.123 1 1 1251 . 5 1 1 A 141 141 GLY HA3 H 141 4.070 3.687 0.383 1 1 1252 . 5 1 1 A 141 141 GLY C C 141 176.800 175.955 0.845 1 1 1253 . 5 1 1 A 141 141 GLY CA C 141 47.000 47.333 -0.333 1 1 1254 . 5 1 1 A 141 141 GLY N N 141 110.300 107.686 2.614 1 1 1255 . 5 1 1 A 142 142 LYS H H 142 8.010 7.842 0.168 1 1 1256 . 5 1 1 A 142 142 LYS HA H 142 4.030 3.944 0.086 1 1 1259 . 5 1 1 A 142 142 LYS C C 142 179.000 178.882 0.118 1 1 1260 . 5 1 1 A 142 142 LYS CA C 142 59.700 59.228 0.472 1 1 1261 . 5 1 1 A 142 142 LYS CB C 142 33.000 32.308 0.692 1 1 1262 . 5 1 1 A 142 142 LYS N N 142 123.200 121.698 1.502 1 1 1263 . 5 1 1 A 143 143 LEU H H 143 8.090 8.285 -0.195 1 1 1264 . 5 1 1 A 143 143 LEU HA H 143 3.760 3.795 -0.035 1 1 1273 . 5 1 1 A 143 143 LEU C C 143 179.000 178.635 0.365 1 1 1274 . 5 1 1 A 143 143 LEU CA C 143 57.500 57.840 -0.340 1 1 1275 . 5 1 1 A 143 143 LEU CB C 143 40.600 41.106 -0.506 1 1 1276 . 5 1 1 A 143 143 LEU N N 143 120.000 122.239 -2.239 1 1 1277 . 5 1 1 A 144 144 SER H H 144 8.350 8.504 -0.154 1 1 1278 . 5 1 1 A 144 144 SER HA H 144 4.120 3.974 0.146 1 1 1280 . 5 1 1 A 144 144 SER C C 144 177.300 176.555 0.745 1 1 1281 . 5 1 1 A 144 144 SER CA C 144 61.900 62.166 -0.266 1 1 1282 . 5 1 1 A 144 144 SER CB C 144 62.300 62.797 -0.497 1 1 1283 . 5 1 1 A 144 144 SER N N 144 114.600 116.332 -1.732 1 1 1284 . 5 1 1 A 145 145 ASN H H 145 7.980 8.204 -0.224 1 1 1285 . 5 1 1 A 145 145 ASN HA H 145 4.460 4.638 -0.178 1 1 1288 . 5 1 1 A 145 145 ASN C C 145 176.300 178.453 -2.153 1 1 1289 . 5 1 1 A 145 145 ASN CA C 145 56.600 56.419 0.181 1 1 1290 . 5 1 1 A 145 145 ASN CB C 145 38.600 38.653 -0.053 1 1 1291 . 5 1 1 A 145 145 ASN N N 145 121.600 120.521 1.079 1 1 1292 . 5 1 1 A 146 146 PHE H H 146 7.710 8.534 -0.824 1 1 1293 . 5 1 1 A 146 146 PHE HA H 146 4.370 4.116 0.254 1 1 1296 . 5 1 1 A 146 146 PHE C C 146 176.200 178.155 -1.955 1 1 1297 . 5 1 1 A 146 146 PHE CA C 146 61.500 61.283 0.217 1 1 1298 . 5 1 1 A 146 146 PHE CB C 146 40.500 38.834 1.666 1 1 1299 . 5 1 1 A 146 146 PHE N N 146 121.800 118.237 3.563 1 1 1300 . 5 1 1 A 147 147 LYS H H 147 8.510 8.374 0.136 1 1 1301 . 5 1 1 A 147 147 LYS HA H 147 3.620 3.865 -0.245 1 1 1305 . 5 1 1 A 147 147 LYS C C 147 178.200 178.525 -0.325 1 1 1306 . 5 1 1 A 147 147 LYS CA C 147 59.600 59.450 0.150 1 1 1307 . 5 1 1 A 147 147 LYS CB C 147 32.400 32.396 0.004 1 1 1308 . 5 1 1 A 147 147 LYS N N 147 117.700 117.867 -0.167 1 1 1309 . 5 1 1 A 148 148 THR H H 148 8.280 7.923 0.357 1 1 1310 . 5 1 1 A 148 148 THR HA H 148 3.870 4.007 -0.137 1 1 1315 . 5 1 1 A 148 148 THR C C 148 177.200 177.230 -0.030 1 1 1316 . 5 1 1 A 148 148 THR CA C 148 66.600 65.834 0.766 1 1 1317 . 5 1 1 A 148 148 THR CB C 148 68.200 68.109 0.091 1 1 1318 . 5 1 1 A 148 148 THR N N 148 116.200 112.355 3.845 1 1 1319 . 5 1 1 A 149 149 ALA H H 149 7.570 8.152 -0.582 1 1 1320 . 5 1 1 A 149 149 ALA HA H 149 4.030 3.844 0.186 1 1 1324 . 5 1 1 A 149 149 ALA C C 149 177.700 179.145 -1.445 1 1 1325 . 5 1 1 A 149 149 ALA CA C 149 54.900 55.269 -0.369 1 1 1326 . 5 1 1 A 149 149 ALA CB C 149 18.700 17.893 0.807 1 1 1327 . 5 1 1 A 149 149 ALA N N 149 124.000 124.472 -0.472 1 1 1328 . 5 1 1 A 150 150 ALA H H 150 7.360 8.263 -0.903 1 1 1329 . 5 1 1 A 150 150 ALA HA H 150 1.860 3.610 -1.750 1 1 1333 . 5 1 1 A 150 150 ALA C C 150 180.600 178.852 1.748 1 1 1334 . 5 1 1 A 150 150 ALA CA C 150 53.900 55.053 -1.153 1 1 1335 . 5 1 1 A 150 150 ALA CB C 150 19.500 18.035 1.465 1 1 1336 . 5 1 1 A 150 150 ALA N N 150 119.700 119.923 -0.223 1 1 1337 . 5 1 1 A 151 151 GLU H H 151 7.050 8.351 -1.301 1 1 1338 . 5 1 1 A 151 151 GLU HA H 151 3.680 4.058 -0.378 1 1 1342 . 5 1 1 A 151 151 GLU C C 151 178.500 179.109 -0.609 1 1 1343 . 5 1 1 A 151 151 GLU CA C 151 59.000 59.340 -0.340 1 1 1344 . 5 1 1 A 151 151 GLU CB C 151 30.000 29.278 0.722 1 1 1345 . 5 1 1 A 151 151 GLU N N 151 114.200 118.496 -4.296 1 1 1346 . 5 1 1 A 152 152 SER H H 152 7.510 7.921 -0.411 1 1 1347 . 5 1 1 A 152 152 SER HA H 152 4.160 4.077 0.083 1 1 1350 . 5 1 1 A 152 152 SER C C 152 173.400 175.489 -2.089 1 1 1351 . 5 1 1 A 152 152 SER CA C 152 60.600 62.491 -1.891 1 1 1352 . 5 1 1 A 152 152 SER CB C 152 63.500 63.039 0.461 1 1 1353 . 5 1 1 A 152 152 SER N N 152 111.900 117.394 -5.494 1 1 1354 . 5 1 1 A 153 153 PHE H H 153 7.240 7.828 -0.588 1 1 1355 . 5 1 1 A 153 153 PHE HA H 153 4.750 4.881 -0.131 1 1 1358 . 5 1 1 A 153 153 PHE C C 153 174.600 175.299 -0.699 1 1 1359 . 5 1 1 A 153 153 PHE CA C 153 57.200 56.754 0.446 1 1 1360 . 5 1 1 A 153 153 PHE CB C 153 41.300 38.501 2.799 1 1 1361 . 5 1 1 A 153 153 PHE N N 153 115.800 116.032 -0.232 1 1 1362 . 5 1 1 A 154 154 LYS H H 154 7.320 7.529 -0.209 1 1 1363 . 5 1 1 A 154 154 LYS HA H 154 4.380 4.040 0.340 1 1 1368 . 5 1 1 A 154 154 LYS C C 154 178.200 177.518 0.682 1 1 1369 . 5 1 1 A 154 154 LYS CA C 154 58.500 58.245 0.255 1 1 1370 . 5 1 1 A 154 154 LYS CB C 154 31.900 32.362 -0.462 1 1 1371 . 5 1 1 A 154 154 LYS N N 154 124.000 122.427 1.573 1 1 1372 . 5 1 1 A 155 155 GLY H H 155 9.720 8.938 0.782 1 1 1373 . 5 1 1 A 155 155 GLY HA2 H 155 3.620 4.090 -0.470 1 1 1374 . 5 1 1 A 155 155 GLY HA3 H 155 4.290 4.104 0.186 1 1 1375 . 5 1 1 A 155 155 GLY C C 155 173.200 173.913 -0.713 1 1 1376 . 5 1 1 A 155 155 GLY CA C 155 45.500 45.682 -0.182 1 1 1377 . 5 1 1 A 155 155 GLY N N 155 115.400 114.841 0.559 1 1 1378 . 5 1 1 A 156 156 LYS H H 156 8.400 8.171 0.229 1 1 1379 . 5 1 1 A 156 156 LYS HA H 156 4.630 4.465 0.165 1 1 1383 . 5 1 1 A 156 156 LYS C C 156 175.000 175.715 -0.715 1 1 1384 . 5 1 1 A 156 156 LYS CA C 156 57.100 56.759 0.341 1 1 1385 . 5 1 1 A 156 156 LYS CB C 156 35.800 35.447 0.353 1 1 1386 . 5 1 1 A 156 156 LYS N N 156 118.700 117.502 1.198 1 1 1387 . 5 1 1 A 157 157 ILE H H 157 7.890 7.733 0.157 1 1 1388 . 5 1 1 A 157 157 ILE HA H 157 4.330 4.853 -0.523 1 1 1396 . 5 1 1 A 157 157 ILE C C 157 175.000 172.868 2.132 1 1 1397 . 5 1 1 A 157 157 ILE CA C 157 60.400 59.759 0.641 1 1 1398 . 5 1 1 A 157 157 ILE CB C 157 43.600 41.620 1.980 1 1 1399 . 5 1 1 A 157 157 ILE N N 157 116.600 117.995 -1.395 1 1 1400 . 5 1 1 A 158 158 LEU H H 158 8.300 8.642 -0.342 1 1 1401 . 5 1 1 A 158 158 LEU HA H 158 4.840 5.270 -0.430 1 1 1410 . 5 1 1 A 158 158 LEU C C 158 175.000 174.635 0.365 1 1 1411 . 5 1 1 A 158 158 LEU CA C 158 54.500 52.757 1.743 1 1 1412 . 5 1 1 A 158 158 LEU CB C 158 43.300 45.238 -1.938 1 1 1413 . 5 1 1 A 158 158 LEU N N 158 129.800 129.394 0.406 1 1 1414 . 5 1 1 A 159 159 PHE H H 159 9.310 9.414 -0.104 1 1 1415 . 5 1 1 A 159 159 PHE HA H 159 4.890 5.177 -0.287 1 1 1418 . 5 1 1 A 159 159 PHE C C 159 178.500 175.199 3.301 1 1 1419 . 5 1 1 A 159 159 PHE CA C 159 56.600 57.286 -0.686 1 1 1420 . 5 1 1 A 159 159 PHE CB C 159 39.100 40.327 -1.227 1 1 1421 . 5 1 1 A 159 159 PHE N N 159 130.000 127.269 2.731 1 1 1422 . 5 1 1 A 160 160 ILE H H 160 9.130 9.802 -0.672 1 1 1423 . 5 1 1 A 160 160 ILE HA H 160 5.470 5.080 0.390 1 1 1431 . 5 1 1 A 160 160 ILE C C 160 174.500 175.872 -1.372 1 1 1432 . 5 1 1 A 160 160 ILE CA C 160 58.700 60.128 -1.428 1 1 1433 . 5 1 1 A 160 160 ILE CB C 160 42.000 40.764 1.236 1 1 1434 . 5 1 1 A 160 160 ILE N N 160 124.100 123.890 0.210 1 1 1435 . 5 1 1 A 161 161 PHE H H 161 8.920 8.290 0.630 1 1 1436 . 5 1 1 A 161 161 PHE HA H 161 5.780 6.081 -0.301 1 1 1439 . 5 1 1 A 161 161 PHE C C 161 172.800 172.843 -0.043 1 1 1440 . 5 1 1 A 161 161 PHE CA C 161 54.500 54.948 -0.448 1 1 1441 . 5 1 1 A 161 161 PHE CB C 161 42.700 42.814 -0.114 1 1 1442 . 5 1 1 A 161 161 PHE N N 161 122.600 121.206 1.394 1 1 1443 . 5 1 1 A 162 162 ILE H H 162 8.780 9.298 -0.518 1 1 1444 . 5 1 1 A 162 162 ILE HA H 162 4.310 5.065 -0.755 1 1 1451 . 5 1 1 A 162 162 ILE C C 162 174.000 173.856 0.144 1 1 1452 . 5 1 1 A 162 162 ILE CA C 162 59.600 59.296 0.304 1 1 1453 . 5 1 1 A 162 162 ILE CB C 162 42.300 40.633 1.667 1 1 1454 . 5 1 1 A 162 162 ILE N N 162 121.400 121.621 -0.221 1 1 1455 . 5 1 1 A 163 163 ASP H H 163 8.410 8.943 -0.533 1 1 1456 . 5 1 1 A 163 163 ASP HA H 163 5.370 4.895 0.475 1 1 1459 . 5 1 1 A 163 163 ASP C C 163 178.300 177.695 0.605 1 1 1460 . 5 1 1 A 163 163 ASP CA C 163 52.600 54.340 -1.740 1 1 1461 . 5 1 1 A 163 163 ASP CB C 163 40.500 41.320 -0.820 1 1 1462 . 5 1 1 A 163 163 ASP N N 163 123.800 128.315 -4.515 1 1 1463 . 5 1 1 A 164 164 SER H H 164 7.470 8.775 -1.305 1 1 1464 . 5 1 1 A 164 164 SER HA H 164 3.990 4.201 -0.211 1 1 1467 . 5 1 1 A 164 164 SER C C 164 173.900 174.457 -0.557 1 1 1468 . 5 1 1 A 164 164 SER CA C 164 60.500 62.256 -1.756 1 1 1469 . 5 1 1 A 164 164 SER CB C 164 64.500 62.763 1.737 1 1 1470 . 5 1 1 A 164 164 SER N N 164 124.000 118.602 5.398 1 1 1471 . 5 1 1 A 165 165 ASP H H 165 8.360 7.995 0.365 1 1 1472 . 5 1 1 A 165 165 ASP HA H 165 4.670 4.215 0.455 1 1 1475 . 5 1 1 A 165 165 ASP C C 165 177.400 176.760 0.640 1 1 1476 . 5 1 1 A 165 165 ASP CA C 165 55.600 54.985 0.615 1 1 1477 . 5 1 1 A 165 165 ASP CB C 165 41.300 39.083 2.217 1 1 1478 . 5 1 1 A 165 165 ASP N N 165 119.300 117.019 2.281 1 1 1479 . 5 1 1 A 166 166 HIS H H 166 7.260 7.758 -0.498 1 1 1480 . 5 1 1 A 166 166 HIS HA H 166 4.400 4.450 -0.050 1 1 1482 . 5 1 1 A 166 166 HIS CA C 166 58.300 58.292 0.008 1 1 1483 . 5 1 1 A 166 166 HIS CB C 166 31.900 28.433 3.467 1 1 1484 . 5 1 1 A 166 166 HIS N N 166 121.400 116.783 4.617 1 1 1485 . 5 1 1 A 167 167 THR HA H 167 4.050 4.511 -0.461 1 1 1490 . 5 1 1 A 167 167 THR C C 167 176.800 176.557 0.243 1 1 1491 . 5 1 1 A 167 167 THR CA C 167 66.000 62.499 3.501 1 1 1492 . 5 1 1 A 167 167 THR CB C 167 68.600 69.786 -1.186 1 1 1493 . 5 1 1 A 168 168 ASP H H 168 11.030 8.403 2.627 1 1 1494 . 5 1 1 A 168 168 ASP HA H 168 4.640 4.488 0.152 1 1 1497 . 5 1 1 A 168 168 ASP C C 168 177.500 177.334 0.166 1 1 1498 . 5 1 1 A 168 168 ASP CA C 168 56.800 57.110 -0.310 1 1 1499 . 5 1 1 A 168 168 ASP CB C 168 39.800 40.386 -0.586 1 1 1500 . 5 1 1 A 168 168 ASP N N 168 124.900 122.607 2.293 1 1 1501 . 5 1 1 A 169 169 ASN H H 169 7.970 8.696 -0.726 1 1 1502 . 5 1 1 A 169 169 ASN HA H 169 5.260 4.784 0.476 1 1 1505 . 5 1 1 A 169 169 ASN C C 169 176.100 176.942 -0.842 1 1 1506 . 5 1 1 A 169 169 ASN CA C 169 52.700 54.172 -1.472 1 1 1507 . 5 1 1 A 169 169 ASN CB C 169 38.600 38.222 0.378 1 1 1508 . 5 1 1 A 169 169 ASN N N 169 114.600 118.335 -3.735 1 1 1509 . 5 1 1 A 170 170 GLN H H 170 7.660 8.092 -0.432 1 1 1510 . 5 1 1 A 170 170 GLN HA H 170 4.020 4.104 -0.084 1 1 1513 . 5 1 1 A 170 170 GLN C C 170 178.100 178.108 -0.008 1 1 1514 . 5 1 1 A 170 170 GLN CA C 170 59.500 58.848 0.652 1 1 1515 . 5 1 1 A 170 170 GLN CB C 170 28.000 28.621 -0.621 1 1 1516 . 5 1 1 A 170 170 GLN N N 170 121.400 118.343 3.057 1 1 1517 . 5 1 1 A 171 171 ARG H H 171 8.570 7.772 0.798 1 1 1518 . 5 1 1 A 171 171 ARG HA H 171 4.250 4.115 0.135 1 1 1521 . 5 1 1 A 171 171 ARG C C 171 178.700 178.956 -0.256 1 1 1522 . 5 1 1 A 171 171 ARG CA C 171 58.700 58.823 -0.123 1 1 1523 . 5 1 1 A 171 171 ARG CB C 171 29.100 30.148 -1.048 1 1 1524 . 5 1 1 A 171 171 ARG N N 171 117.500 119.112 -1.612 1 1 1525 . 5 1 1 A 172 172 ILE H H 172 7.700 7.657 0.043 1 1 1526 . 5 1 1 A 172 172 ILE HA H 172 4.010 3.802 0.208 1 1 1534 . 5 1 1 A 172 172 ILE C C 172 177.600 178.385 -0.785 1 1 1535 . 5 1 1 A 172 172 ILE CA C 172 63.300 65.667 -2.367 1 1 1536 . 5 1 1 A 172 172 ILE CB C 172 37.000 37.902 -0.902 1 1 1537 . 5 1 1 A 172 172 ILE N N 172 121.000 120.559 0.441 1 1 1538 . 5 1 1 A 173 173 LEU H H 173 7.400 8.141 -0.741 1 1 1539 . 5 1 1 A 173 173 LEU HA H 173 3.740 3.925 -0.185 1 1 1548 . 5 1 1 A 173 173 LEU C C 173 179.500 179.603 -0.103 1 1 1549 . 5 1 1 A 173 173 LEU CA C 173 60.500 58.471 2.029 1 1 1550 . 5 1 1 A 173 173 LEU CB C 173 40.500 41.771 -1.271 1 1 1551 . 5 1 1 A 173 173 LEU N N 173 121.400 120.238 1.162 1 1 1552 . 5 1 1 A 174 174 GLU H H 174 8.030 8.571 -0.541 1 1 1553 . 5 1 1 A 174 174 GLU HA H 174 4.000 4.115 -0.115 1 1 1557 . 5 1 1 A 174 174 GLU C C 174 180.200 178.888 1.312 1 1 1558 . 5 1 1 A 174 174 GLU CA C 174 59.200 58.937 0.263 1 1 1559 . 5 1 1 A 174 174 GLU CB C 174 29.300 28.789 0.511 1 1 1560 . 5 1 1 A 174 174 GLU N N 174 117.200 117.872 -0.672 1 1 1561 . 5 1 1 A 175 175 PHE H H 175 8.000 7.995 0.005 1 1 1562 . 5 1 1 A 175 175 PHE HA H 175 4.150 4.276 -0.126 1 1 1565 . 5 1 1 A 175 175 PHE C C 175 176.400 178.319 -1.919 1 1 1566 . 5 1 1 A 175 175 PHE CA C 175 60.800 61.483 -0.683 1 1 1567 . 5 1 1 A 175 175 PHE CB C 175 38.700 39.081 -0.381 1 1 1568 . 5 1 1 A 175 175 PHE N N 175 122.000 121.501 0.499 1 1 1569 . 5 1 1 A 176 176 PHE H H 176 7.510 8.311 -0.801 1 1 1570 . 5 1 1 A 176 176 PHE HA H 176 4.110 4.489 -0.379 1 1 1573 . 5 1 1 A 176 176 PHE C C 176 175.000 175.730 -0.730 1 1 1574 . 5 1 1 A 176 176 PHE CA C 176 59.300 59.809 -0.509 1 1 1575 . 5 1 1 A 176 176 PHE CB C 176 40.000 39.602 0.398 1 1 1576 . 5 1 1 A 176 176 PHE N N 176 113.100 119.874 -6.774 1 1 1577 . 5 1 1 A 177 177 GLY H H 177 8.030 7.752 0.278 1 1 1578 . 5 1 1 A 177 177 GLY HA2 H 177 3.850 3.974 -0.124 1 1 1579 . 5 1 1 A 177 177 GLY C C 177 173.900 174.336 -0.436 1 1 1580 . 5 1 1 A 177 177 GLY CA C 177 46.500 47.016 -0.516 1 1 1581 . 5 1 1 A 177 177 GLY N N 177 110.900 109.025 1.875 1 1 1582 . 5 1 1 A 178 178 LEU H H 178 7.730 7.915 -0.185 1 1 1583 . 5 1 1 A 178 178 LEU HA H 178 4.440 4.787 -0.347 1 1 1592 . 5 1 1 A 178 178 LEU C C 178 175.800 175.535 0.265 1 1 1593 . 5 1 1 A 178 178 LEU CA C 178 53.500 53.612 -0.112 1 1 1594 . 5 1 1 A 178 178 LEU CB C 178 45.900 44.569 1.331 1 1 1595 . 5 1 1 A 178 178 LEU N N 178 120.700 120.773 -0.073 1 1 1596 . 5 1 1 A 179 179 LYS H H 179 8.170 8.600 -0.430 1 1 1597 . 5 1 1 A 179 179 LYS HA H 179 4.530 4.616 -0.086 1 1 1600 . 5 1 1 A 179 179 LYS C C 179 178.500 177.281 1.219 1 1 1601 . 5 1 1 A 179 179 LYS CA C 179 54.000 54.065 -0.065 1 1 1602 . 5 1 1 A 179 179 LYS CB C 179 34.100 34.757 -0.657 1 1 1603 . 5 1 1 A 179 179 LYS N N 179 119.500 122.226 -2.726 1 1 1604 . 5 1 1 A 180 180 LYS H H 180 9.110 8.816 0.294 1 1 1605 . 5 1 1 A 180 180 LYS HA H 180 3.820 4.043 -0.223 1 1 1609 . 5 1 1 A 180 180 LYS C C 180 179.600 177.833 1.767 1 1 1610 . 5 1 1 A 180 180 LYS CA C 180 60.900 59.190 1.710 1 1 1611 . 5 1 1 A 180 180 LYS CB C 180 32.100 32.200 -0.100 1 1 1612 . 5 1 1 A 180 180 LYS N N 180 124.200 121.021 3.179 1 1 1613 . 5 1 1 A 181 181 GLU H H 181 9.460 8.339 1.121 1 1 1614 . 5 1 1 A 181 181 GLU HA H 181 4.220 4.297 -0.077 1 1 1617 . 5 1 1 A 181 181 GLU C C 181 176.700 176.499 0.201 1 1 1618 . 5 1 1 A 181 181 GLU CA C 181 58.700 57.679 1.021 1 1 1619 . 5 1 1 A 181 181 GLU CB C 181 28.300 29.233 -0.933 1 1 1620 . 5 1 1 A 181 181 GLU N N 181 116.600 117.530 -0.930 1 1 1621 . 5 1 1 A 182 182 GLU H H 182 7.660 8.469 -0.809 1 1 1622 . 5 1 1 A 182 182 GLU HA H 182 4.320 4.165 0.155 1 1 1625 . 5 1 1 A 182 182 GLU C C 182 174.900 175.597 -0.697 1 1 1626 . 5 1 1 A 182 182 GLU CA C 182 55.700 56.319 -0.619 1 1 1627 . 5 1 1 A 182 182 GLU CB C 182 30.600 28.672 1.928 1 1 1628 . 5 1 1 A 182 182 GLU N N 182 118.300 119.133 -0.833 1 1 1629 . 5 1 1 A 183 183 CYS H H 183 7.090 8.022 -0.932 1 1 1630 . 5 1 1 A 183 183 CYS HA H 183 4.270 5.058 -0.788 1 1 1633 . 5 1 1 A 183 183 CYS CA C 183 58.200 57.276 0.924 1 1 1634 . 5 1 1 A 183 183 CYS CB C 183 27.400 29.701 -2.301 1 1 1635 . 5 1 1 A 183 183 CYS N N 183 117.700 121.732 -4.032 1 1 1636 . 5 1 1 A 184 184 PRO HA H 184 5.370 5.133 0.237 1 1 1637 . 5 1 1 A 184 184 PRO C C 184 174.300 175.957 -1.657 1 1 1638 . 5 1 1 A 184 184 PRO CA C 184 61.500 63.421 -1.921 1 1 1639 . 5 1 1 A 184 184 PRO CB C 184 36.000 32.498 3.502 1 1 1640 . 5 1 1 A 185 185 ALA H H 185 8.370 8.720 -0.350 1 1 1641 . 5 1 1 A 185 185 ALA HA H 185 4.790 4.854 -0.064 1 1 1645 . 5 1 1 A 185 185 ALA C C 185 174.800 175.437 -0.637 1 1 1646 . 5 1 1 A 185 185 ALA CA C 185 51.600 51.099 0.501 1 1 1647 . 5 1 1 A 185 185 ALA CB C 185 23.400 23.710 -0.310 1 1 1648 . 5 1 1 A 185 185 ALA N N 185 123.000 121.445 1.555 1 1 1649 . 5 1 1 A 186 186 VAL H H 186 8.660 8.793 -0.133 1 1 1650 . 5 1 1 A 186 186 VAL HA H 186 5.710 5.013 0.697 1 1 1655 . 5 1 1 A 186 186 VAL C C 186 176.500 174.312 2.188 1 1 1656 . 5 1 1 A 186 186 VAL CA C 186 59.300 59.531 -0.231 1 1 1657 . 5 1 1 A 186 186 VAL CB C 186 35.300 35.246 0.054 1 1 1658 . 5 1 1 A 186 186 VAL N N 186 117.900 118.167 -0.267 1 1 1659 . 5 1 1 A 187 187 ARG H H 187 8.910 9.160 -0.250 1 1 1660 . 5 1 1 A 187 187 ARG HA H 187 5.000 5.561 -0.561 1 1 1663 . 5 1 1 A 187 187 ARG C C 187 172.600 174.208 -1.608 1 1 1664 . 5 1 1 A 187 187 ARG CA C 187 53.000 54.205 -1.205 1 1 1665 . 5 1 1 A 187 187 ARG CB C 187 35.900 34.181 1.719 1 1 1666 . 5 1 1 A 187 187 ARG N N 187 123.000 126.574 -3.574 1 1 1667 . 5 1 1 A 188 188 LEU H H 188 8.790 9.512 -0.722 1 1 1668 . 5 1 1 A 188 188 LEU HA H 188 5.420 5.245 0.175 1 1 1677 . 5 1 1 A 188 188 LEU C C 188 174.600 174.639 -0.039 1 1 1678 . 5 1 1 A 188 188 LEU CA C 188 54.300 53.256 1.044 1 1 1679 . 5 1 1 A 188 188 LEU CB C 188 47.300 45.304 1.996 1 1 1680 . 5 1 1 A 188 188 LEU N N 188 124.700 122.960 1.740 1 1 1681 . 5 1 1 A 189 189 ILE H H 189 9.590 8.856 0.734 1 1 1682 . 5 1 1 A 189 189 ILE HA H 189 5.880 5.161 0.719 1 1 1690 . 5 1 1 A 189 189 ILE C C 189 173.500 174.850 -1.350 1 1 1691 . 5 1 1 A 189 189 ILE CA C 189 58.400 59.629 -1.229 1 1 1692 . 5 1 1 A 189 189 ILE CB C 189 43.000 41.347 1.653 1 1 1693 . 5 1 1 A 189 189 ILE N N 189 121.800 126.279 -4.479 1 1 1694 . 5 1 1 A 190 190 THR H H 190 8.750 8.794 -0.044 1 1 1695 . 5 1 1 A 190 190 THR HA H 190 5.360 4.915 0.445 1 1 1700 . 5 1 1 A 190 190 THR C C 190 174.300 173.135 1.165 1 1 1701 . 5 1 1 A 190 190 THR CA C 190 58.800 60.911 -2.111 1 1 1702 . 5 1 1 A 190 190 THR CB C 190 70.400 72.418 -2.018 1 1 1703 . 5 1 1 A 190 190 THR N N 190 114.200 123.625 -9.425 1 1 1704 . 5 1 1 A 191 191 LEU H H 191 8.610 8.236 0.374 1 1 1705 . 5 1 1 A 191 191 LEU HA H 191 4.640 4.977 -0.337 1 1 1711 . 5 1 1 A 191 191 LEU C C 191 176.400 175.330 1.070 1 1 1712 . 5 1 1 A 191 191 LEU CA C 191 54.500 54.177 0.323 1 1 1713 . 5 1 1 A 191 191 LEU CB C 191 42.300 41.941 0.359 1 1 1714 . 5 1 1 A 191 191 LEU N N 191 125.500 124.970 0.530 1 1 1715 . 5 1 1 A 192 192 GLU H H 192 7.540 8.456 -0.916 1 1 1716 . 5 1 1 A 192 192 GLU HA H 192 4.510 4.669 -0.159 1 1 1719 . 5 1 1 A 192 192 GLU C C 192 176.100 175.830 0.270 1 1 1720 . 5 1 1 A 192 192 GLU CA C 192 56.300 55.569 0.731 1 1 1721 . 5 1 1 A 192 192 GLU CB C 192 29.800 33.044 -3.244 1 1 1722 . 5 1 1 A 192 192 GLU N N 192 123.400 124.338 -0.938 1 1 1723 . 5 1 1 A 193 193 GLU H H 193 8.490 8.988 -0.498 1 1 1724 . 5 1 1 A 193 193 GLU HA H 193 4.150 4.134 0.016 1 1 1727 . 5 1 1 A 193 193 GLU C C 193 176.700 176.620 0.080 1 1 1728 . 5 1 1 A 193 193 GLU CA C 193 59.200 59.360 -0.160 1 1 1729 . 5 1 1 A 193 193 GLU CB C 193 29.000 29.125 -0.125 1 1 1730 . 5 1 1 A 193 193 GLU N N 193 122.400 122.286 0.114 1 1 1731 . 5 1 1 A 194 194 GLU H H 194 7.990 7.779 0.211 1 1 1732 . 5 1 1 A 194 194 GLU HA H 194 4.460 4.581 -0.121 1 1 1736 . 5 1 1 A 194 194 GLU C C 194 175.700 176.426 -0.726 1 1 1737 . 5 1 1 A 194 194 GLU CA C 194 54.900 56.000 -1.100 1 1 1738 . 5 1 1 A 194 194 GLU CB C 194 31.400 30.608 0.792 1 1 1739 . 5 1 1 A 194 194 GLU N N 194 116.200 120.273 -4.073 1 1 1740 . 5 1 1 A 195 195 MET H H 195 8.760 8.635 0.125 1 1 1741 . 5 1 1 A 195 195 MET HA H 195 5.050 4.423 0.627 1 1 1746 . 5 1 1 A 195 195 MET C C 195 175.900 175.922 -0.022 1 1 1747 . 5 1 1 A 195 195 MET CA C 195 56.000 54.493 1.507 1 1 1748 . 5 1 1 A 195 195 MET CB C 195 33.200 31.675 1.525 1 1 1749 . 5 1 1 A 195 195 MET N N 195 123.000 123.938 -0.938 1 1 1750 . 5 1 1 A 196 196 THR H H 196 8.400 8.617 -0.217 1 1 1751 . 5 1 1 A 196 196 THR HA H 196 4.400 5.352 -0.952 1 1 1756 . 5 1 1 A 196 196 THR C C 196 172.000 173.677 -1.677 1 1 1757 . 5 1 1 A 196 196 THR CA C 196 62.900 60.492 2.408 1 1 1758 . 5 1 1 A 196 196 THR CB C 196 69.800 70.611 -0.811 1 1 1759 . 5 1 1 A 196 196 THR N N 196 122.000 115.275 6.725 1 1 1760 . 5 1 1 A 197 197 LYS H H 197 8.530 8.777 -0.247 1 1 1761 . 5 1 1 A 197 197 LYS HA H 197 5.420 5.293 0.127 1 1 1764 . 5 1 1 A 197 197 LYS C C 197 174.700 174.464 0.236 1 1 1765 . 5 1 1 A 197 197 LYS CA C 197 55.000 54.617 0.383 1 1 1766 . 5 1 1 A 197 197 LYS CB C 197 35.600 37.213 -1.613 1 1 1767 . 5 1 1 A 197 197 LYS N N 197 123.900 123.770 0.130 1 1 1768 . 5 1 1 A 198 198 TYR H H 198 9.540 9.512 0.028 1 1 1769 . 5 1 1 A 198 198 TYR HA H 198 4.880 5.381 -0.501 1 1 1772 . 5 1 1 A 198 198 TYR C C 198 174.400 173.683 0.717 1 1 1773 . 5 1 1 A 198 198 TYR CA C 198 57.700 56.390 1.310 1 1 1774 . 5 1 1 A 198 198 TYR CB C 198 41.700 41.954 -0.254 1 1 1775 . 5 1 1 A 198 198 TYR N N 198 117.900 124.085 -6.185 1 1 1776 . 5 1 1 A 199 199 LYS H H 199 9.290 8.276 1.014 1 1 1777 . 5 1 1 A 199 199 LYS HA H 199 5.070 4.746 0.324 1 1 1781 . 5 1 1 A 199 199 LYS CA C 199 52.500 52.913 -0.413 1 1 1782 . 5 1 1 A 199 199 LYS CB C 199 35.400 32.855 2.545 1 1 1783 . 5 1 1 A 199 199 LYS N N 199 122.600 127.550 -4.950 1 1 1784 . 5 1 1 A 200 200 PRO HA H 200 4.120 4.673 -0.553 1 1 1785 . 5 1 1 A 200 200 PRO C C 200 176.700 175.893 0.807 1 1 1786 . 5 1 1 A 200 200 PRO CA C 200 62.000 62.586 -0.586 1 1 1787 . 5 1 1 A 200 200 PRO CB C 200 31.200 33.810 -2.610 1 1 1788 . 5 1 1 A 201 201 GLU H H 201 9.010 8.781 0.229 1 1 1789 . 5 1 1 A 201 201 GLU HA H 201 4.110 4.570 -0.460 1 1 1793 . 5 1 1 A 201 201 GLU C C 201 176.100 176.101 -0.001 1 1 1794 . 5 1 1 A 201 201 GLU CA C 201 57.600 57.067 0.533 1 1 1795 . 5 1 1 A 201 201 GLU CB C 201 30.400 31.982 -1.582 1 1 1796 . 5 1 1 A 201 201 GLU N N 201 119.700 118.254 1.446 1 1 1797 . 5 1 1 A 202 202 SER H H 202 7.570 7.901 -0.331 1 1 1798 . 5 1 1 A 202 202 SER HA H 202 4.650 4.595 0.055 1 1 1801 . 5 1 1 A 202 202 SER C C 202 174.400 173.933 0.467 1 1 1802 . 5 1 1 A 202 202 SER CA C 202 56.400 57.662 -1.262 1 1 1803 . 5 1 1 A 202 202 SER CB C 202 65.100 65.028 0.072 1 1 1804 . 5 1 1 A 202 202 SER N N 202 111.900 112.252 -0.352 1 1 1805 . 5 1 1 A 203 203 GLU H H 203 8.790 8.781 0.009 1 1 1806 . 5 1 1 A 203 203 GLU HA H 203 4.370 5.316 -0.946 1 1 1809 . 5 1 1 A 203 203 GLU C C 203 176.100 175.255 0.845 1 1 1810 . 5 1 1 A 203 203 GLU CA C 203 56.200 54.786 1.414 1 1 1811 . 5 1 1 A 203 203 GLU CB C 203 29.500 33.186 -3.686 1 1 1812 . 5 1 1 A 203 203 GLU N N 203 122.800 122.515 0.285 1 1 1813 . 5 1 1 A 204 204 GLU H H 204 8.030 9.161 -1.131 1 1 1814 . 5 1 1 A 204 204 GLU HA H 204 4.110 4.639 -0.529 1 1 1817 . 5 1 1 A 204 204 GLU C C 204 176.300 175.661 0.639 1 1 1818 . 5 1 1 A 204 204 GLU CA C 204 57.300 56.409 0.891 1 1 1819 . 5 1 1 A 204 204 GLU CB C 204 31.100 31.018 0.082 1 1 1820 . 5 1 1 A 204 204 GLU N N 204 120.700 125.170 -4.470 1 1 1821 . 5 1 1 A 205 205 LEU H H 205 8.690 8.303 0.387 1 1 1822 . 5 1 1 A 205 205 LEU HA H 205 4.580 5.106 -0.526 1 1 1831 . 5 1 1 A 205 205 LEU C C 205 176.300 177.216 -0.916 1 1 1832 . 5 1 1 A 205 205 LEU CA C 205 53.100 53.415 -0.315 1 1 1833 . 5 1 1 A 205 205 LEU CB C 205 41.100 45.432 -4.332 1 1 1834 . 5 1 1 A 205 205 LEU N N 205 125.500 122.147 3.353 1 1 1835 . 5 1 1 A 206 206 THR H H 206 6.800 8.862 -2.062 1 1 1836 . 5 1 1 A 206 206 THR HA H 206 4.370 3.904 0.466 1 1 1841 . 5 1 1 A 206 206 THR C C 206 175.200 176.002 -0.802 1 1 1842 . 5 1 1 A 206 206 THR CA C 206 59.400 65.897 -6.497 1 1 1843 . 5 1 1 A 206 206 THR CB C 206 70.400 69.257 1.143 1 1 1844 . 5 1 1 A 206 206 THR N N 206 108.200 121.102 -12.902 1 1 1845 . 5 1 1 A 207 207 ALA H H 207 9.320 8.366 0.954 1 1 1846 . 5 1 1 A 207 207 ALA HA H 207 4.010 3.971 0.039 1 1 1850 . 5 1 1 A 207 207 ALA C C 207 180.800 179.865 0.935 1 1 1851 . 5 1 1 A 207 207 ALA CA C 207 56.000 55.059 0.941 1 1 1852 . 5 1 1 A 207 207 ALA CB C 207 18.200 18.140 0.060 1 1 1853 . 5 1 1 A 207 207 ALA N N 207 125.300 122.593 2.707 1 1 1854 . 5 1 1 A 208 208 GLU H H 208 9.390 8.161 1.229 1 1 1855 . 5 1 1 A 208 208 GLU HA H 208 4.050 4.087 -0.037 1 1 1859 . 5 1 1 A 208 208 GLU C C 208 179.100 179.080 0.020 1 1 1860 . 5 1 1 A 208 208 GLU CA C 208 60.200 59.336 0.864 1 1 1861 . 5 1 1 A 208 208 GLU CB C 208 29.100 29.360 -0.260 1 1 1862 . 5 1 1 A 208 208 GLU N N 208 118.500 118.989 -0.489 1 1 1863 . 5 1 1 A 209 209 ARG H H 209 7.700 9.070 -1.370 1 1 1864 . 5 1 1 A 209 209 ARG HA H 209 4.230 4.240 -0.010 1 1 1867 . 5 1 1 A 209 209 ARG C C 209 180.000 177.872 2.128 1 1 1868 . 5 1 1 A 209 209 ARG CA C 209 57.900 58.858 -0.958 1 1 1869 . 5 1 1 A 209 209 ARG CB C 209 30.100 29.952 0.148 1 1 1870 . 5 1 1 A 209 209 ARG N N 209 119.700 118.749 0.951 1 1 1871 . 5 1 1 A 210 210 ILE H H 210 8.540 7.471 1.069 1 1 1872 . 5 1 1 A 210 210 ILE HA H 210 3.950 3.604 0.346 1 1 1880 . 5 1 1 A 210 210 ILE C C 210 178.000 178.269 -0.269 1 1 1881 . 5 1 1 A 210 210 ILE CA C 210 65.400 64.176 1.224 1 1 1882 . 5 1 1 A 210 210 ILE CB C 210 38.300 37.547 0.753 1 1 1883 . 5 1 1 A 210 210 ILE N N 210 122.000 115.703 6.297 1 1 1884 . 5 1 1 A 211 211 THR H H 211 8.620 8.530 0.090 1 1 1885 . 5 1 1 A 211 211 THR HA H 211 4.040 4.047 -0.007 1 1 1890 . 5 1 1 A 211 211 THR C C 211 175.300 176.584 -1.284 1 1 1891 . 5 1 1 A 211 211 THR CA C 211 67.800 66.899 0.901 1 1 1892 . 5 1 1 A 211 211 THR CB C 211 68.300 68.397 -0.097 1 1 1893 . 5 1 1 A 211 211 THR N N 211 117.100 117.728 -0.628 1 1 1894 . 5 1 1 A 212 212 GLU H H 212 8.050 8.162 -0.112 1 1 1895 . 5 1 1 A 212 212 GLU HA H 212 4.280 4.169 0.111 1 1 1898 . 5 1 1 A 212 212 GLU C C 212 177.200 179.828 -2.628 1 1 1899 . 5 1 1 A 212 212 GLU CA C 212 59.700 60.135 -0.435 1 1 1900 . 5 1 1 A 212 212 GLU CB C 212 30.300 29.381 0.919 1 1 1901 . 5 1 1 A 212 212 GLU N N 212 121.600 121.346 0.254 1 1 1902 . 5 1 1 A 213 213 PHE H H 213 7.890 8.223 -0.333 1 1 1903 . 5 1 1 A 213 213 PHE HA H 213 4.620 4.286 0.334 1 1 1906 . 5 1 1 A 213 213 PHE C C 213 176.300 178.472 -2.172 1 1 1907 . 5 1 1 A 213 213 PHE CA C 213 59.300 60.825 -1.525 1 1 1908 . 5 1 1 A 213 213 PHE CB C 213 38.700 38.166 0.534 1 1 1909 . 5 1 1 A 213 213 PHE N N 213 119.700 118.988 0.712 1 1 1910 . 5 1 1 A 214 214 CYS H H 214 7.700 7.855 -0.155 1 1 1911 . 5 1 1 A 214 214 CYS HA H 214 3.260 3.921 -0.661 1 1 1914 . 5 1 1 A 214 214 CYS C C 214 177.000 177.216 -0.216 1 1 1915 . 5 1 1 A 214 214 CYS CA C 214 64.500 63.998 0.502 1 1 1916 . 5 1 1 A 214 214 CYS CB C 214 27.400 26.867 0.533 1 1 1917 . 5 1 1 A 214 214 CYS N N 214 116.000 117.552 -1.552 1 1 1918 . 5 1 1 A 215 215 HIS H H 215 8.640 8.424 0.216 1 1 1919 . 5 1 1 A 215 215 HIS HA H 215 4.500 4.141 0.359 1 1 1922 . 5 1 1 A 215 215 HIS C C 215 178.100 177.037 1.063 1 1 1923 . 5 1 1 A 215 215 HIS CA C 215 60.300 60.836 -0.536 1 1 1924 . 5 1 1 A 215 215 HIS CB C 215 30.300 29.732 0.568 1 1 1925 . 5 1 1 A 215 215 HIS N N 215 118.100 119.612 -1.512 1 1 1926 . 5 1 1 A 216 216 ARG H H 216 8.730 8.162 0.568 1 1 1927 . 5 1 1 A 216 216 ARG HA H 216 3.920 3.813 0.107 1 1 1930 . 5 1 1 A 216 216 ARG C C 216 179.100 178.585 0.515 1 1 1931 . 5 1 1 A 216 216 ARG CA C 216 59.800 59.616 0.184 1 1 1932 . 5 1 1 A 216 216 ARG CB C 216 30.100 29.633 0.467 1 1 1933 . 5 1 1 A 216 216 ARG N N 216 118.700 117.542 1.158 1 1 1934 . 5 1 1 A 217 217 PHE H H 217 8.390 7.783 0.607 1 1 1935 . 5 1 1 A 217 217 PHE HA H 217 3.970 4.089 -0.119 1 1 1938 . 5 1 1 A 217 217 PHE C C 217 179.200 177.044 2.156 1 1 1939 . 5 1 1 A 217 217 PHE CA C 217 60.700 61.172 -0.472 1 1 1940 . 5 1 1 A 217 217 PHE CB C 217 37.800 39.024 -1.224 1 1 1941 . 5 1 1 A 217 217 PHE N N 217 120.600 120.427 0.173 1 1 1942 . 5 1 1 A 218 218 LEU H H 218 8.250 8.466 -0.216 1 1 1943 . 5 1 1 A 218 218 LEU HA H 218 3.500 3.940 -0.440 1 1 1953 . 5 1 1 A 218 218 LEU C C 218 178.800 178.117 0.683 1 1 1954 . 5 1 1 A 218 218 LEU CA C 218 57.400 56.881 0.519 1 1 1955 . 5 1 1 A 218 218 LEU CB C 218 41.300 41.127 0.173 1 1 1956 . 5 1 1 A 218 218 LEU N N 218 123.500 118.807 4.693 1 1 1957 . 5 1 1 A 219 219 GLU H H 219 7.770 7.538 0.232 1 1 1958 . 5 1 1 A 219 219 GLU HA H 219 4.200 4.404 -0.204 1 1 1963 . 5 1 1 A 219 219 GLU C C 219 176.800 176.853 -0.053 1 1 1964 . 5 1 1 A 219 219 GLU CA C 219 56.200 56.294 -0.094 1 1 1965 . 5 1 1 A 219 219 GLU CB C 219 30.600 30.080 0.520 1 1 1966 . 5 1 1 A 219 219 GLU N N 219 116.400 117.472 -1.072 1 1 1967 . 5 1 1 A 220 220 GLY H H 220 7.720 7.932 -0.212 1 1 1968 . 5 1 1 A 220 220 GLY HA2 H 220 3.890 3.815 0.075 1 1 1969 . 5 1 1 A 220 220 GLY HA3 H 220 3.960 3.887 0.073 1 1 1970 . 5 1 1 A 220 220 GLY C C 220 176.300 175.017 1.283 1 1 1971 . 5 1 1 A 220 220 GLY CA C 220 46.300 46.381 -0.081 1 1 1972 . 5 1 1 A 220 220 GLY N N 220 108.600 108.933 -0.333 1 1 1973 . 5 1 1 A 221 221 LYS H H 221 8.000 7.351 0.649 1 1 1974 . 5 1 1 A 221 221 LYS HA H 221 4.320 4.433 -0.113 1 1 1978 . 5 1 1 A 221 221 LYS C C 221 175.900 176.078 -0.178 1 1 1979 . 5 1 1 A 221 221 LYS CA C 221 56.100 56.120 -0.020 1 1 1980 . 5 1 1 A 221 221 LYS CB C 221 33.700 34.113 -0.413 1 1 1981 . 5 1 1 A 221 221 LYS N N 221 116.600 119.419 -2.819 1 1 1982 . 5 1 1 A 222 222 ILE H H 222 7.910 8.487 -0.577 1 1 1983 . 5 1 1 A 222 222 ILE HA H 222 4.570 4.232 0.338 1 1 1992 . 5 1 1 A 222 222 ILE C C 222 175.400 176.658 -1.258 1 1 1993 . 5 1 1 A 222 222 ILE CA C 222 59.200 61.211 -2.011 1 1 1994 . 5 1 1 A 222 222 ILE CB C 222 38.800 38.188 0.612 1 1 1995 . 5 1 1 A 222 222 ILE N N 222 118.900 121.894 -2.994 1 1 1996 . 5 1 1 A 223 223 LYS H H 223 8.760 8.504 0.256 1 1 1997 . 5 1 1 A 223 223 LYS HA H 223 4.570 5.054 -0.484 1 1 2000 . 5 1 1 A 223 223 LYS CA C 223 54.300 53.927 0.373 1 1 2001 . 5 1 1 A 223 223 LYS CB C 223 32.000 33.946 -1.946 1 1 2002 . 5 1 1 A 223 223 LYS N N 223 127.700 123.433 4.267 1 1 2003 . 5 1 1 A 224 224 PRO C C 224 175.900 176.405 -0.505 1 1 2004 . 5 1 1 A 224 224 PRO CA C 224 63.000 65.591 -2.591 1 1 2005 . 5 1 1 A 224 224 PRO CB C 224 32.300 31.611 0.689 1 1 2006 . 5 1 1 A 225 225 HIS H H 225 8.770 7.290 1.480 1 1 2007 . 5 1 1 A 225 225 HIS C C 225 174.700 176.026 -1.326 1 1 2008 . 5 1 1 A 225 225 HIS CA C 225 55.800 56.677 -0.877 1 1 2009 . 5 1 1 A 225 225 HIS CB C 225 31.100 30.412 0.688 1 1 2010 . 5 1 1 A 225 225 HIS N N 225 121.800 117.032 4.768 1 1 2011 . 5 1 1 A 226 226 LEU H H 226 8.160 9.012 -0.852 1 1 2012 . 5 1 1 A 226 226 LEU C C 226 176.400 174.957 1.443 1 1 2013 . 5 1 1 A 226 226 LEU CA C 226 54.500 55.655 -1.155 1 1 2014 . 5 1 1 A 226 226 LEU CB C 226 42.300 40.936 1.364 1 1 2015 . 5 1 1 A 226 226 LEU N N 226 127.000 124.933 2.067 1 1 2016 . 5 1 1 A 227 227 MET H H 227 7.980 8.267 -0.287 1 1 2017 . 5 1 1 A 227 227 MET C C 227 175.100 174.470 0.630 1 1 2018 . 5 1 1 A 227 227 MET CA C 227 55.400 54.618 0.782 1 1 2019 . 5 1 1 A 227 227 MET CB C 227 33.000 34.712 -1.712 1 1 2020 . 5 1 1 A 227 227 MET N N 227 120.800 122.862 -2.062 1 1 2025 . 5 2 1 A 2 2 PRO C C 2 176.900 176.020 0.880 1 1 2026 . 5 2 1 A 2 2 PRO CA C 2 63.300 62.837 0.463 1 1 2027 . 5 2 1 A 2 2 PRO CB C 2 32.200 30.900 1.300 1 1 2028 . 5 2 1 A 3 3 LEU H H 3 8.510 7.982 0.528 1 1 2029 . 5 2 1 A 3 3 LEU C C 3 177.700 176.024 1.676 1 1 2030 . 5 2 1 A 3 3 LEU CA C 3 55.300 53.172 2.128 1 1 2031 . 5 2 1 A 3 3 LEU CB C 3 42.100 44.376 -2.276 1 1 2032 . 5 2 1 A 3 3 LEU N N 3 121.400 118.069 3.331 1 1 2033 . 5 2 1 A 4 4 GLY H H 4 8.190 8.643 -0.453 1 1 2034 . 5 2 1 A 4 4 GLY C C 4 172.900 173.233 -0.333 1 1 2035 . 5 2 1 A 4 4 GLY CA C 4 45.200 45.822 -0.622 1 1 2036 . 5 2 1 A 4 4 GLY N N 4 109.400 109.653 -0.253 1 1 2037 . 5 2 1 A 5 5 SER H H 5 7.830 7.885 -0.055 1 1 2038 . 5 2 1 A 5 5 SER CA C 5 55.500 54.801 0.699 1 1 2039 . 5 2 1 A 5 5 SER CB C 5 64.100 64.796 -0.696 1 1 2040 . 5 2 1 A 5 5 SER N N 5 115.400 116.316 -0.916 1 1 2041 . 5 2 1 A 221 221 LYS C C 221 176.800 176.078 0.722 1 1 2042 . 5 2 1 A 221 221 LYS CA C 221 56.100 56.120 -0.020 1 1 2043 . 5 2 1 A 221 221 LYS CB C 221 32.500 34.113 -1.613 1 1 2044 . 5 2 1 A 222 222 ILE H H 222 7.630 8.487 -0.857 1 1 2045 . 5 2 1 A 222 222 ILE C C 222 175.800 176.658 -0.858 1 1 2046 . 5 2 1 A 222 222 ILE CA C 222 61.300 61.211 0.089 1 1 2047 . 5 2 1 A 222 222 ILE CB C 222 38.500 38.188 0.312 1 1 2048 . 5 2 1 A 222 222 ILE N N 222 118.900 121.894 -2.994 1 1 2049 . 5 2 1 A 223 223 LYS H H 223 8.080 8.504 -0.424 1 1 2050 . 5 2 1 A 223 223 LYS CA C 223 54.300 53.927 0.373 1 1 2051 . 5 2 1 A 223 223 LYS CB C 223 32.400 33.946 -1.546 1 1 2052 . 5 2 1 A 223 223 LYS N N 223 125.500 123.433 2.067 1 1 2053 . 5 2 1 A 224 224 PRO C C 224 176.700 176.405 0.295 1 1 2054 . 5 2 1 A 224 224 PRO CA C 224 63.400 65.591 -2.191 1 1 2055 . 5 2 1 A 224 224 PRO CB C 224 31.800 31.611 0.189 1 1 2056 . 5 2 1 A 225 225 HIS H H 225 8.330 7.290 1.040 1 1 2057 . 5 2 1 A 225 225 HIS C C 225 175.000 176.026 -1.026 1 1 2058 . 5 2 1 A 225 225 HIS CA C 225 56.100 56.677 -0.577 1 1 2059 . 5 2 1 A 225 225 HIS CB C 225 30.300 30.412 -0.112 1 1 2060 . 5 2 1 A 225 225 HIS N N 225 119.000 117.032 1.968 1 1 2061 . 5 2 1 A 226 226 LEU H H 226 8.030 9.012 -0.982 1 1 2062 . 5 2 1 A 226 226 LEU C C 226 176.800 174.957 1.843 1 1 2063 . 5 2 1 A 226 226 LEU CA C 226 55.000 55.655 -0.655 1 1 2064 . 5 2 1 A 226 226 LEU CB C 226 42.300 40.936 1.364 1 1 2065 . 5 2 1 A 226 226 LEU N N 226 123.200 124.933 -1.733 1 1 2066 . 5 2 1 A 227 227 MET H H 227 8.280 8.267 0.013 1 1 2067 . 5 2 1 A 227 227 MET CA C 227 55.300 54.618 0.682 1 1 2068 . 5 2 1 A 227 227 MET CB C 227 32.900 34.712 -1.812 1 1 1 . 6 1 1 A 2 2 PRO C C 2 176.900 175.075 1.825 1 1 2 . 6 1 1 A 2 2 PRO CA C 2 63.000 62.932 0.068 1 1 3 . 6 1 1 A 2 2 PRO CB C 2 32.100 29.726 2.374 1 1 4 . 6 1 1 A 3 3 LEU H H 3 8.510 8.459 0.051 1 1 5 . 6 1 1 A 3 3 LEU HA H 3 4.320 5.131 -0.811 1 1 10 . 6 1 1 A 3 3 LEU C C 3 177.900 176.835 1.065 1 1 11 . 6 1 1 A 3 3 LEU CA C 3 55.500 53.599 1.901 1 1 12 . 6 1 1 A 3 3 LEU CB C 3 42.000 45.663 -3.663 1 1 13 . 6 1 1 A 3 3 LEU N N 3 122.400 122.611 -0.211 1 1 14 . 6 1 1 A 4 4 GLY H H 4 8.450 8.702 -0.252 1 1 15 . 6 1 1 A 4 4 GLY HA2 H 4 3.900 4.001 -0.101 1 1 16 . 6 1 1 A 4 4 GLY HA3 H 4 4.020 4.001 0.019 1 1 17 . 6 1 1 A 4 4 GLY C C 4 173.800 174.169 -0.369 1 1 18 . 6 1 1 A 4 4 GLY CA C 4 45.100 46.591 -1.491 1 1 19 . 6 1 1 A 4 4 GLY N N 4 110.200 114.517 -4.317 1 1 20 . 6 1 1 A 5 5 SER H H 5 8.040 7.787 0.253 1 1 21 . 6 1 1 A 5 5 SER HA H 5 4.010 4.878 -0.868 1 1 23 . 6 1 1 A 5 5 SER CA C 5 56.300 55.867 0.433 1 1 24 . 6 1 1 A 5 5 SER CB C 5 63.300 64.621 -1.321 1 1 25 . 6 1 1 A 5 5 SER N N 5 116.900 114.883 2.017 1 1 26 . 6 1 1 A 6 6 PRO HA H 6 4.450 4.537 -0.087 1 1 29 . 6 1 1 A 6 6 PRO C C 6 176.700 176.890 -0.190 1 1 30 . 6 1 1 A 6 6 PRO CA C 6 63.000 62.832 0.168 1 1 31 . 6 1 1 A 6 6 PRO CB C 6 32.000 32.538 -0.538 1 1 32 . 6 1 1 A 7 7 ALA H H 7 8.560 8.476 0.084 1 1 33 . 6 1 1 A 7 7 ALA HA H 7 4.100 4.140 -0.040 1 1 37 . 6 1 1 A 7 7 ALA C C 7 176.600 177.049 -0.449 1 1 38 . 6 1 1 A 7 7 ALA CA C 7 53.400 54.464 -1.064 1 1 39 . 6 1 1 A 7 7 ALA CB C 7 19.600 19.206 0.394 1 1 40 . 6 1 1 A 7 7 ALA N N 7 123.600 122.872 0.728 1 1 41 . 6 1 1 A 8 8 ALA H H 8 7.410 7.491 -0.081 1 1 42 . 6 1 1 A 8 8 ALA HA H 8 4.680 5.647 -0.967 1 1 46 . 6 1 1 A 8 8 ALA C C 8 175.900 176.203 -0.303 1 1 47 . 6 1 1 A 8 8 ALA CA C 8 50.100 50.565 -0.465 1 1 48 . 6 1 1 A 8 8 ALA CB C 8 21.300 20.671 0.629 1 1 49 . 6 1 1 A 8 8 ALA N N 8 116.200 119.280 -3.080 1 1 50 . 6 1 1 A 9 9 THR H H 9 8.670 9.398 -0.728 1 1 51 . 6 1 1 A 9 9 THR HA H 9 4.330 5.106 -0.776 1 1 56 . 6 1 1 A 9 9 THR C C 9 174.400 173.776 0.624 1 1 57 . 6 1 1 A 9 9 THR CA C 9 62.600 61.655 0.945 1 1 58 . 6 1 1 A 9 9 THR CB C 9 70.100 70.368 -0.268 1 1 59 . 6 1 1 A 9 9 THR N N 9 119.900 117.374 2.526 1 1 60 . 6 1 1 A 10 10 THR H H 10 9.000 8.846 0.154 1 1 61 . 6 1 1 A 10 10 THR HA H 10 4.580 5.584 -1.004 1 1 66 . 6 1 1 A 10 10 THR C C 10 174.100 173.801 0.299 1 1 67 . 6 1 1 A 10 10 THR CA C 10 63.900 60.512 3.388 1 1 68 . 6 1 1 A 10 10 THR CB C 10 68.500 70.013 -1.513 1 1 69 . 6 1 1 A 10 10 THR N N 10 125.900 119.336 6.564 1 1 70 . 6 1 1 A 11 11 LEU H H 11 9.010 8.758 0.252 1 1 71 . 6 1 1 A 11 11 LEU HA H 11 4.970 4.700 0.270 1 1 77 . 6 1 1 A 11 11 LEU CA C 11 50.200 52.673 -2.473 1 1 78 . 6 1 1 A 11 11 LEU CB C 11 41.700 42.619 -0.919 1 1 79 . 6 1 1 A 11 11 LEU N N 11 127.200 123.834 3.366 1 1 80 . 6 1 1 A 12 12 PRO HA H 12 4.520 4.446 0.074 1 1 83 . 6 1 1 A 12 12 PRO C C 12 175.300 175.495 -0.195 1 1 84 . 6 1 1 A 12 12 PRO CA C 12 63.900 63.994 -0.094 1 1 85 . 6 1 1 A 12 12 PRO CB C 12 32.700 31.905 0.795 1 1 86 . 6 1 1 A 13 13 ASP H H 13 7.110 7.722 -0.612 1 1 87 . 6 1 1 A 13 13 ASP HA H 13 4.420 4.838 -0.418 1 1 90 . 6 1 1 A 13 13 ASP C C 13 175.400 176.173 -0.773 1 1 91 . 6 1 1 A 13 13 ASP CA C 13 52.300 53.168 -0.868 1 1 92 . 6 1 1 A 13 13 ASP CB C 13 42.000 44.120 -2.120 1 1 93 . 6 1 1 A 13 13 ASP N N 13 112.100 117.788 -5.688 1 1 94 . 6 1 1 A 14 14 GLY H H 14 9.120 9.092 0.028 1 1 95 . 6 1 1 A 14 14 GLY HA2 H 14 3.610 3.810 -0.200 1 1 96 . 6 1 1 A 14 14 GLY HA3 H 14 4.010 3.813 0.197 1 1 97 . 6 1 1 A 14 14 GLY C C 14 175.100 175.917 -0.817 1 1 98 . 6 1 1 A 14 14 GLY CA C 14 47.400 47.542 -0.142 1 1 99 . 6 1 1 A 14 14 GLY N N 14 106.600 111.339 -4.739 1 1 100 . 6 1 1 A 15 15 ALA H H 15 8.050 8.062 -0.012 1 1 101 . 6 1 1 A 15 15 ALA HA H 15 4.170 4.026 0.144 1 1 105 . 6 1 1 A 15 15 ALA C C 15 180.500 179.753 0.747 1 1 106 . 6 1 1 A 15 15 ALA CA C 15 54.800 54.633 0.167 1 1 107 . 6 1 1 A 15 15 ALA CB C 15 17.600 18.066 -0.466 1 1 108 . 6 1 1 A 15 15 ALA N N 15 125.100 124.632 0.468 1 1 109 . 6 1 1 A 16 16 ALA H H 16 8.260 7.791 0.469 1 1 110 . 6 1 1 A 16 16 ALA HA H 16 4.170 4.046 0.124 1 1 114 . 6 1 1 A 16 16 ALA C C 16 180.500 179.399 1.101 1 1 115 . 6 1 1 A 16 16 ALA CA C 16 54.500 54.914 -0.414 1 1 116 . 6 1 1 A 16 16 ALA CB C 16 18.600 18.303 0.297 1 1 117 . 6 1 1 A 16 16 ALA N N 16 121.600 119.742 1.858 1 1 118 . 6 1 1 A 17 17 ALA H H 17 7.600 8.143 -0.543 1 1 119 . 6 1 1 A 17 17 ALA HA H 17 3.990 3.954 0.036 1 1 123 . 6 1 1 A 17 17 ALA C C 17 177.200 179.224 -2.024 1 1 124 . 6 1 1 A 17 17 ALA CA C 17 55.400 55.370 0.030 1 1 125 . 6 1 1 A 17 17 ALA CB C 17 18.700 18.177 0.523 1 1 126 . 6 1 1 A 17 17 ALA N N 17 120.600 120.345 0.255 1 1 127 . 6 1 1 A 18 18 GLU H H 18 8.450 7.979 0.471 1 1 128 . 6 1 1 A 18 18 GLU HA H 18 3.790 4.088 -0.298 1 1 132 . 6 1 1 A 18 18 GLU C C 18 178.800 178.898 -0.098 1 1 133 . 6 1 1 A 18 18 GLU CA C 18 59.200 59.231 -0.031 1 1 134 . 6 1 1 A 18 18 GLU CB C 18 29.500 29.385 0.115 1 1 135 . 6 1 1 A 18 18 GLU N N 18 117.100 117.094 0.006 1 1 136 . 6 1 1 A 19 19 SER H H 19 7.920 7.560 0.360 1 1 137 . 6 1 1 A 19 19 SER HA H 19 4.150 4.137 0.013 1 1 139 . 6 1 1 A 19 19 SER C C 19 176.800 176.783 0.017 1 1 140 . 6 1 1 A 19 19 SER CA C 19 61.300 62.186 -0.886 1 1 141 . 6 1 1 A 19 19 SER CB C 19 62.400 63.365 -0.965 1 1 142 . 6 1 1 A 19 19 SER N N 19 112.800 116.273 -3.473 1 1 143 . 6 1 1 A 20 20 LEU H H 20 7.460 7.581 -0.121 1 1 144 . 6 1 1 A 20 20 LEU HA H 20 4.020 4.057 -0.037 1 1 153 . 6 1 1 A 20 20 LEU C C 20 179.200 179.004 0.196 1 1 154 . 6 1 1 A 20 20 LEU CA C 20 58.400 57.894 0.506 1 1 155 . 6 1 1 A 20 20 LEU CB C 20 41.600 41.177 0.423 1 1 156 . 6 1 1 A 20 20 LEU N N 20 123.000 119.319 3.681 1 1 157 . 6 1 1 A 21 21 VAL H H 21 7.980 7.790 0.190 1 1 158 . 6 1 1 A 21 21 VAL HA H 21 3.090 3.477 -0.387 1 1 166 . 6 1 1 A 21 21 VAL C C 21 177.600 178.130 -0.530 1 1 167 . 6 1 1 A 21 21 VAL CA C 21 66.800 66.584 0.216 1 1 168 . 6 1 1 A 21 21 VAL CB C 21 31.600 31.664 -0.064 1 1 169 . 6 1 1 A 21 21 VAL N N 21 119.500 119.956 -0.456 1 1 170 . 6 1 1 A 22 22 GLU H H 22 8.180 9.192 -1.012 1 1 171 . 6 1 1 A 22 22 GLU HA H 22 4.040 4.014 0.026 1 1 174 . 6 1 1 A 22 22 GLU C C 22 178.700 178.533 0.167 1 1 175 . 6 1 1 A 22 22 GLU CA C 22 58.000 59.674 -1.674 1 1 176 . 6 1 1 A 22 22 GLU CB C 22 29.500 29.498 0.002 1 1 177 . 6 1 1 A 22 22 GLU N N 22 114.800 120.384 -5.584 1 1 178 . 6 1 1 A 23 23 SER H H 23 7.570 7.478 0.092 1 1 179 . 6 1 1 A 23 23 SER HA H 23 4.360 4.347 0.013 1 1 182 . 6 1 1 A 23 23 SER C C 23 173.700 174.151 -0.451 1 1 183 . 6 1 1 A 23 23 SER CA C 23 59.800 59.843 -0.043 1 1 184 . 6 1 1 A 23 23 SER CB C 23 64.000 63.602 0.398 1 1 185 . 6 1 1 A 23 23 SER N N 23 112.500 112.742 -0.242 1 1 186 . 6 1 1 A 24 24 SER H H 24 7.080 8.514 -1.434 1 1 187 . 6 1 1 A 24 24 SER HA H 24 4.800 4.640 0.160 1 1 190 . 6 1 1 A 24 24 SER C C 24 172.800 173.959 -1.159 1 1 191 . 6 1 1 A 24 24 SER CA C 24 57.200 57.333 -0.133 1 1 192 . 6 1 1 A 24 24 SER CB C 24 65.400 65.466 -0.066 1 1 193 . 6 1 1 A 24 24 SER N N 24 115.400 115.946 -0.546 1 1 194 . 6 1 1 A 25 25 GLU H H 25 8.700 8.706 -0.006 1 1 195 . 6 1 1 A 25 25 GLU HA H 25 3.970 4.176 -0.206 1 1 199 . 6 1 1 A 25 25 GLU C C 25 175.700 176.094 -0.394 1 1 200 . 6 1 1 A 25 25 GLU CA C 25 59.900 59.402 0.498 1 1 201 . 6 1 1 A 25 25 GLU CB C 25 30.300 29.069 1.231 1 1 202 . 6 1 1 A 25 25 GLU N N 25 124.500 125.184 -0.684 1 1 203 . 6 1 1 A 26 26 VAL H H 26 7.320 7.854 -0.534 1 1 204 . 6 1 1 A 26 26 VAL HA H 26 5.000 4.770 0.230 1 1 212 . 6 1 1 A 26 26 VAL C C 26 174.300 173.452 0.848 1 1 213 . 6 1 1 A 26 26 VAL CA C 26 60.500 59.810 0.690 1 1 214 . 6 1 1 A 26 26 VAL CB C 26 35.700 35.406 0.294 1 1 215 . 6 1 1 A 26 26 VAL N N 26 113.500 118.284 -4.784 1 1 216 . 6 1 1 A 27 27 ALA H H 27 9.130 8.625 0.505 1 1 217 . 6 1 1 A 27 27 ALA HA H 27 4.820 5.042 -0.222 1 1 221 . 6 1 1 A 27 27 ALA C C 27 175.000 176.184 -1.184 1 1 222 . 6 1 1 A 27 27 ALA CA C 27 51.200 51.179 0.021 1 1 223 . 6 1 1 A 27 27 ALA CB C 27 23.000 22.995 0.005 1 1 224 . 6 1 1 A 27 27 ALA N N 27 127.200 129.156 -1.956 1 1 225 . 6 1 1 A 28 28 VAL H H 28 7.980 8.303 -0.323 1 1 226 . 6 1 1 A 28 28 VAL HA H 28 5.080 4.814 0.266 1 1 234 . 6 1 1 A 28 28 VAL C C 28 174.600 174.850 -0.250 1 1 235 . 6 1 1 A 28 28 VAL CA C 28 60.800 61.405 -0.605 1 1 236 . 6 1 1 A 28 28 VAL CB C 28 34.300 33.888 0.412 1 1 237 . 6 1 1 A 28 28 VAL N N 28 120.100 120.661 -0.561 1 1 238 . 6 1 1 A 29 29 ILE H H 29 9.080 9.475 -0.395 1 1 239 . 6 1 1 A 29 29 ILE HA H 29 4.780 5.114 -0.334 1 1 247 . 6 1 1 A 29 29 ILE C C 29 173.300 174.963 -1.663 1 1 248 . 6 1 1 A 29 29 ILE CA C 29 60.000 59.376 0.624 1 1 249 . 6 1 1 A 29 29 ILE CB C 29 40.300 40.364 -0.064 1 1 250 . 6 1 1 A 29 29 ILE N N 29 124.300 127.349 -3.049 1 1 251 . 6 1 1 A 30 30 GLY H H 30 8.610 8.791 -0.181 1 1 252 . 6 1 1 A 30 30 GLY HA2 H 30 1.910 3.990 -2.080 1 1 253 . 6 1 1 A 30 30 GLY HA3 H 30 3.960 4.026 -0.066 1 1 254 . 6 1 1 A 30 30 GLY C C 30 169.300 171.685 -2.385 1 1 255 . 6 1 1 A 30 30 GLY CA C 30 44.500 43.899 0.601 1 1 256 . 6 1 1 A 30 30 GLY N N 30 115.800 114.148 1.652 1 1 257 . 6 1 1 A 31 31 PHE H H 31 8.470 9.171 -0.701 1 1 258 . 6 1 1 A 31 31 PHE HA H 31 4.200 5.499 -1.299 1 1 261 . 6 1 1 A 31 31 PHE C C 31 172.800 175.056 -2.256 1 1 262 . 6 1 1 A 31 31 PHE CA C 31 55.000 56.633 -1.633 1 1 263 . 6 1 1 A 31 31 PHE CB C 31 36.500 40.693 -4.193 1 1 264 . 6 1 1 A 31 31 PHE N N 31 127.800 122.760 5.040 1 1 265 . 6 1 1 A 32 32 PHE H H 32 8.200 9.107 -0.907 1 1 266 . 6 1 1 A 32 32 PHE HA H 32 4.980 5.025 -0.045 1 1 269 . 6 1 1 A 32 32 PHE C C 32 174.400 175.760 -1.360 1 1 270 . 6 1 1 A 32 32 PHE CA C 32 55.700 56.336 -0.636 1 1 271 . 6 1 1 A 32 32 PHE CB C 32 42.900 43.143 -0.243 1 1 272 . 6 1 1 A 32 32 PHE N N 32 116.900 121.386 -4.486 1 1 273 . 6 1 1 A 33 33 LYS H H 33 9.420 8.873 0.547 1 1 274 . 6 1 1 A 33 33 LYS HA H 33 4.020 4.610 -0.590 1 1 279 . 6 1 1 A 33 33 LYS C C 33 176.700 176.354 0.346 1 1 280 . 6 1 1 A 33 33 LYS CA C 33 58.900 57.250 1.650 1 1 281 . 6 1 1 A 33 33 LYS CB C 33 31.900 33.721 -1.821 1 1 282 . 6 1 1 A 33 33 LYS N N 33 124.700 122.433 2.267 1 1 283 . 6 1 1 A 34 34 ASP H H 34 8.920 8.054 0.866 1 1 284 . 6 1 1 A 34 34 ASP HA H 34 5.020 5.032 -0.012 1 1 287 . 6 1 1 A 34 34 ASP C C 34 177.800 176.505 1.295 1 1 288 . 6 1 1 A 34 34 ASP CA C 34 51.700 52.821 -1.121 1 1 289 . 6 1 1 A 34 34 ASP CB C 34 41.800 40.764 1.036 1 1 290 . 6 1 1 A 34 34 ASP N N 34 117.300 118.784 -1.484 1 1 291 . 6 1 1 A 35 35 VAL H H 35 8.560 8.390 0.170 1 1 292 . 6 1 1 A 35 35 VAL HA H 35 3.790 3.749 0.041 1 1 300 . 6 1 1 A 35 35 VAL C C 35 174.500 177.521 -3.021 1 1 301 . 6 1 1 A 35 35 VAL CA C 35 63.900 65.969 -2.069 1 1 302 . 6 1 1 A 35 35 VAL CB C 35 30.500 31.616 -1.116 1 1 303 . 6 1 1 A 35 35 VAL N N 35 120.700 123.613 -2.913 1 1 304 . 6 1 1 A 36 36 GLU H H 36 8.250 8.036 0.214 1 1 305 . 6 1 1 A 36 36 GLU HA H 36 4.390 4.283 0.107 1 1 309 . 6 1 1 A 36 36 GLU C C 36 176.600 177.347 -0.747 1 1 310 . 6 1 1 A 36 36 GLU CA C 36 54.800 58.433 -3.633 1 1 311 . 6 1 1 A 36 36 GLU CB C 36 29.200 29.751 -0.551 1 1 312 . 6 1 1 A 36 36 GLU N N 36 117.200 119.300 -2.100 1 1 313 . 6 1 1 A 37 37 SER H H 37 7.560 7.670 -0.110 1 1 314 . 6 1 1 A 37 37 SER HA H 37 4.300 4.381 -0.081 1 1 317 . 6 1 1 A 37 37 SER C C 37 174.000 175.637 -1.637 1 1 318 . 6 1 1 A 37 37 SER CA C 37 58.100 59.500 -1.400 1 1 319 . 6 1 1 A 37 37 SER CB C 37 65.400 63.915 1.485 1 1 320 . 6 1 1 A 37 37 SER N N 37 116.100 116.028 0.072 1 1 321 . 6 1 1 A 38 38 ASP H H 38 8.920 8.982 -0.062 1 1 322 . 6 1 1 A 38 38 ASP HA H 38 4.290 4.209 0.081 1 1 324 . 6 1 1 A 38 38 ASP C C 38 179.200 178.457 0.743 1 1 325 . 6 1 1 A 38 38 ASP CA C 38 58.100 56.809 1.291 1 1 326 . 6 1 1 A 38 38 ASP CB C 38 40.100 39.851 0.249 1 1 327 . 6 1 1 A 38 38 ASP N N 38 121.400 124.613 -3.213 1 1 328 . 6 1 1 A 39 39 SER H H 39 8.500 8.104 0.396 1 1 329 . 6 1 1 A 39 39 SER HA H 39 4.050 4.171 -0.121 1 1 331 . 6 1 1 A 39 39 SER C C 39 174.500 177.247 -2.747 1 1 332 . 6 1 1 A 39 39 SER CA C 39 61.500 61.315 0.185 1 1 333 . 6 1 1 A 39 39 SER CB C 39 62.400 62.988 -0.588 1 1 334 . 6 1 1 A 39 39 SER N N 39 114.200 114.975 -0.775 1 1 335 . 6 1 1 A 40 40 ALA H H 40 6.970 7.697 -0.727 1 1 336 . 6 1 1 A 40 40 ALA HA H 40 2.380 3.218 -0.838 1 1 340 . 6 1 1 A 40 40 ALA C C 40 179.600 180.001 -0.401 1 1 341 . 6 1 1 A 40 40 ALA CA C 40 54.500 54.908 -0.408 1 1 342 . 6 1 1 A 40 40 ALA CB C 40 18.600 18.021 0.579 1 1 343 . 6 1 1 A 40 40 ALA N N 40 125.700 122.200 3.500 1 1 344 . 6 1 1 A 41 41 LYS H H 41 8.040 7.533 0.507 1 1 345 . 6 1 1 A 41 41 LYS HA H 41 3.830 3.858 -0.028 1 1 350 . 6 1 1 A 41 41 LYS C C 41 180.500 179.767 0.733 1 1 351 . 6 1 1 A 41 41 LYS CA C 41 60.000 59.478 0.522 1 1 352 . 6 1 1 A 41 41 LYS CB C 41 31.900 32.300 -0.400 1 1 353 . 6 1 1 A 41 41 LYS N N 41 115.800 117.314 -1.514 1 1 354 . 6 1 1 A 42 42 GLN H H 42 7.870 7.808 0.062 1 1 355 . 6 1 1 A 42 42 GLN HA H 42 3.780 3.995 -0.215 1 1 359 . 6 1 1 A 42 42 GLN C C 42 177.800 178.556 -0.756 1 1 360 . 6 1 1 A 42 42 GLN CA C 42 58.600 58.978 -0.378 1 1 361 . 6 1 1 A 42 42 GLN CB C 42 28.600 28.262 0.338 1 1 362 . 6 1 1 A 42 42 GLN N N 42 119.100 118.879 0.221 1 1 363 . 6 1 1 A 43 43 PHE H H 43 7.710 8.103 -0.393 1 1 364 . 6 1 1 A 43 43 PHE HA H 43 3.850 3.941 -0.091 1 1 367 . 6 1 1 A 43 43 PHE C C 43 176.200 177.330 -1.130 1 1 368 . 6 1 1 A 43 43 PHE CA C 43 61.300 60.816 0.484 1 1 369 . 6 1 1 A 43 43 PHE CB C 43 39.000 39.110 -0.110 1 1 370 . 6 1 1 A 43 43 PHE N N 43 120.000 120.820 -0.820 1 1 371 . 6 1 1 A 44 44 LEU H H 44 8.360 7.850 0.510 1 1 372 . 6 1 1 A 44 44 LEU HA H 44 3.580 3.692 -0.112 1 1 378 . 6 1 1 A 44 44 LEU C C 44 179.400 178.196 1.204 1 1 379 . 6 1 1 A 44 44 LEU CA C 44 57.400 57.645 -0.245 1 1 380 . 6 1 1 A 44 44 LEU CB C 44 40.900 41.514 -0.614 1 1 381 . 6 1 1 A 44 44 LEU N N 44 119.500 120.307 -0.807 1 1 382 . 6 1 1 A 45 45 GLN H H 45 7.660 8.252 -0.592 1 1 383 . 6 1 1 A 45 45 GLN HA H 45 3.900 3.891 0.009 1 1 388 . 6 1 1 A 45 45 GLN C C 45 179.300 177.913 1.387 1 1 389 . 6 1 1 A 45 45 GLN CA C 45 58.700 58.432 0.268 1 1 390 . 6 1 1 A 45 45 GLN CB C 45 28.700 28.983 -0.283 1 1 391 . 6 1 1 A 45 45 GLN N N 45 117.700 118.395 -0.695 1 1 392 . 6 1 1 A 46 46 ALA H H 46 7.630 7.656 -0.026 1 1 393 . 6 1 1 A 46 46 ALA HA H 46 3.740 3.973 -0.233 1 1 397 . 6 1 1 A 46 46 ALA C C 46 177.100 179.076 -1.976 1 1 398 . 6 1 1 A 46 46 ALA CA C 46 55.300 54.792 0.508 1 1 399 . 6 1 1 A 46 46 ALA CB C 46 17.500 18.238 -0.738 1 1 400 . 6 1 1 A 46 46 ALA N N 46 123.700 121.618 2.082 1 1 401 . 6 1 1 A 47 47 ALA H H 47 7.330 7.279 0.051 1 1 402 . 6 1 1 A 47 47 ALA HA H 47 1.790 2.298 -0.508 1 1 406 . 6 1 1 A 47 47 ALA C C 47 178.600 179.506 -0.906 1 1 407 . 6 1 1 A 47 47 ALA CA C 47 53.200 54.426 -1.226 1 1 408 . 6 1 1 A 47 47 ALA CB C 47 17.700 17.888 -0.188 1 1 409 . 6 1 1 A 47 47 ALA N N 47 118.100 119.126 -1.026 1 1 410 . 6 1 1 A 48 48 GLU H H 48 7.020 7.387 -0.367 1 1 411 . 6 1 1 A 48 48 GLU HA H 48 3.840 4.011 -0.171 1 1 415 . 6 1 1 A 48 48 GLU C C 48 177.100 178.334 -1.234 1 1 416 . 6 1 1 A 48 48 GLU CA C 48 57.300 59.140 -1.840 1 1 417 . 6 1 1 A 48 48 GLU CB C 48 29.900 29.418 0.482 1 1 418 . 6 1 1 A 48 48 GLU N N 48 112.900 118.611 -5.711 1 1 419 . 6 1 1 A 49 49 ALA H H 49 7.250 7.757 -0.507 1 1 420 . 6 1 1 A 49 49 ALA HA H 49 4.250 4.093 0.157 1 1 424 . 6 1 1 A 49 49 ALA C C 49 176.900 177.480 -0.580 1 1 425 . 6 1 1 A 49 49 ALA CA C 49 52.600 54.278 -1.678 1 1 426 . 6 1 1 A 49 49 ALA CB C 49 20.100 18.500 1.600 1 1 427 . 6 1 1 A 49 49 ALA N N 49 119.800 121.094 -1.294 1 1 428 . 6 1 1 A 50 50 ILE H H 50 7.030 7.030 0.000 1 1 429 . 6 1 1 A 50 50 ILE HA H 50 4.370 4.585 -0.215 1 1 439 . 6 1 1 A 50 50 ILE C C 50 174.300 176.013 -1.713 1 1 440 . 6 1 1 A 50 50 ILE CA C 50 59.700 59.393 0.307 1 1 441 . 6 1 1 A 50 50 ILE CB C 50 39.400 40.882 -1.482 1 1 442 . 6 1 1 A 50 50 ILE N N 50 119.300 114.443 4.857 1 1 443 . 6 1 1 A 51 51 ASP H H 51 8.390 8.929 -0.539 1 1 444 . 6 1 1 A 51 51 ASP HA H 51 4.830 4.989 -0.159 1 1 446 . 6 1 1 A 51 51 ASP C C 51 177.500 176.390 1.110 1 1 447 . 6 1 1 A 51 51 ASP CA C 51 54.300 54.173 0.127 1 1 448 . 6 1 1 A 51 51 ASP CB C 51 42.200 41.039 1.161 1 1 449 . 6 1 1 A 51 51 ASP N N 51 123.200 124.671 -1.471 1 1 450 . 6 1 1 A 52 52 ASP H H 52 8.530 8.213 0.317 1 1 451 . 6 1 1 A 52 52 ASP HA H 52 4.570 4.497 0.073 1 1 454 . 6 1 1 A 52 52 ASP C C 52 175.000 176.297 -1.297 1 1 455 . 6 1 1 A 52 52 ASP CA C 52 54.600 56.950 -2.350 1 1 456 . 6 1 1 A 52 52 ASP CB C 52 40.200 41.301 -1.101 1 1 457 . 6 1 1 A 52 52 ASP N N 52 116.000 118.853 -2.853 1 1 458 . 6 1 1 A 53 53 ILE H H 53 7.150 7.693 -0.543 1 1 459 . 6 1 1 A 53 53 ILE HA H 53 4.570 4.450 0.120 1 1 469 . 6 1 1 A 53 53 ILE CA C 53 57.700 57.257 0.443 1 1 470 . 6 1 1 A 53 53 ILE CB C 53 42.000 40.361 1.639 1 1 471 . 6 1 1 A 53 53 ILE N N 53 119.300 117.524 1.776 1 1 472 . 6 1 1 A 54 54 PRO C C 54 175.100 175.199 -0.099 1 1 473 . 6 1 1 A 54 54 PRO CA C 54 62.700 62.931 -0.231 1 1 474 . 6 1 1 A 54 54 PRO CB C 54 32.500 32.010 0.490 1 1 475 . 6 1 1 A 55 55 PHE H H 55 8.780 8.246 0.534 1 1 476 . 6 1 1 A 55 55 PHE HA H 55 5.840 5.580 0.260 1 1 479 . 6 1 1 A 55 55 PHE C C 55 176.900 175.229 1.671 1 1 480 . 6 1 1 A 55 55 PHE CA C 55 55.600 55.983 -0.383 1 1 481 . 6 1 1 A 55 55 PHE CB C 55 42.000 41.814 0.186 1 1 482 . 6 1 1 A 55 55 PHE N N 55 119.900 122.196 -2.296 1 1 483 . 6 1 1 A 56 56 GLY H H 56 9.510 9.407 0.103 1 1 484 . 6 1 1 A 56 56 GLY HA2 H 56 3.350 4.202 -0.852 1 1 485 . 6 1 1 A 56 56 GLY HA3 H 56 5.620 4.266 1.354 1 1 486 . 6 1 1 A 56 56 GLY C C 56 170.800 172.628 -1.828 1 1 487 . 6 1 1 A 56 56 GLY CA C 56 43.400 43.781 -0.381 1 1 488 . 6 1 1 A 56 56 GLY N N 56 109.000 109.640 -0.640 1 1 489 . 6 1 1 A 57 57 ILE H H 57 8.930 8.422 0.508 1 1 490 . 6 1 1 A 57 57 ILE HA H 57 5.570 5.190 0.380 1 1 499 . 6 1 1 A 57 57 ILE C C 57 172.000 174.378 -2.378 1 1 500 . 6 1 1 A 57 57 ILE CA C 57 58.400 59.573 -1.173 1 1 501 . 6 1 1 A 57 57 ILE CB C 57 42.900 42.267 0.633 1 1 502 . 6 1 1 A 57 57 ILE N N 57 120.800 120.415 0.385 1 1 503 . 6 1 1 A 58 58 THR H H 58 8.660 8.541 0.119 1 1 504 . 6 1 1 A 58 58 THR HA H 58 4.960 4.999 -0.039 1 1 509 . 6 1 1 A 58 58 THR C C 58 170.000 172.249 -2.249 1 1 510 . 6 1 1 A 58 58 THR CA C 58 60.100 60.418 -0.318 1 1 511 . 6 1 1 A 58 58 THR CB C 58 72.100 70.390 1.710 1 1 512 . 6 1 1 A 58 58 THR N N 58 121.200 118.139 3.061 1 1 513 . 6 1 1 A 59 59 SER H H 59 8.710 8.582 0.128 1 1 514 . 6 1 1 A 59 59 SER HA H 59 5.200 5.215 -0.015 1 1 517 . 6 1 1 A 59 59 SER C C 59 173.900 174.424 -0.524 1 1 518 . 6 1 1 A 59 59 SER CA C 59 56.700 57.402 -0.702 1 1 519 . 6 1 1 A 59 59 SER CB C 59 65.700 65.014 0.686 1 1 520 . 6 1 1 A 59 59 SER N N 59 119.900 119.967 -0.067 1 1 521 . 6 1 1 A 60 60 ASN H H 60 8.030 7.362 0.668 1 1 522 . 6 1 1 A 60 60 ASN HA H 60 4.790 4.801 -0.011 1 1 524 . 6 1 1 A 60 60 ASN CA C 60 53.200 53.480 -0.280 1 1 525 . 6 1 1 A 60 60 ASN CB C 60 39.500 40.783 -1.283 1 1 526 . 6 1 1 A 60 60 ASN N N 60 122.200 122.800 -0.600 1 1 528 . 6 1 1 A 61 61 SER C C 61 175.900 176.160 -0.260 1 1 529 . 6 1 1 A 61 61 SER CA C 61 62.500 61.939 0.561 1 1 530 . 6 1 1 A 61 61 SER CB C 61 62.500 62.569 -0.069 1 1 531 . 6 1 1 A 62 62 ASP H H 62 8.630 8.179 0.451 1 1 532 . 6 1 1 A 62 62 ASP HA H 62 4.530 4.371 0.159 1 1 535 . 6 1 1 A 62 62 ASP C C 62 179.000 179.051 -0.051 1 1 536 . 6 1 1 A 62 62 ASP CA C 62 57.400 57.480 -0.080 1 1 537 . 6 1 1 A 62 62 ASP CB C 62 40.000 40.255 -0.255 1 1 538 . 6 1 1 A 62 62 ASP N N 62 122.200 122.882 -0.682 1 1 539 . 6 1 1 A 63 63 VAL H H 63 8.030 7.741 0.289 1 1 540 . 6 1 1 A 63 63 VAL HA H 63 3.750 3.586 0.164 1 1 548 . 6 1 1 A 63 63 VAL C C 63 177.900 178.115 -0.215 1 1 549 . 6 1 1 A 63 63 VAL CA C 63 65.800 66.438 -0.638 1 1 550 . 6 1 1 A 63 63 VAL CB C 63 30.700 31.597 -0.897 1 1 551 . 6 1 1 A 63 63 VAL N N 63 122.400 120.253 2.147 1 1 552 . 6 1 1 A 64 64 PHE H H 64 7.980 7.553 0.427 1 1 553 . 6 1 1 A 64 64 PHE HA H 64 4.200 4.124 0.076 1 1 556 . 6 1 1 A 64 64 PHE C C 64 178.800 178.418 0.382 1 1 557 . 6 1 1 A 64 64 PHE CA C 64 61.700 60.139 1.561 1 1 558 . 6 1 1 A 64 64 PHE CB C 64 37.500 38.502 -1.002 1 1 559 . 6 1 1 A 64 64 PHE N N 64 120.100 119.416 0.684 1 1 560 . 6 1 1 A 65 65 SER H H 65 8.090 8.254 -0.164 1 1 561 . 6 1 1 A 65 65 SER HA H 65 4.210 4.179 0.031 1 1 563 . 6 1 1 A 65 65 SER C C 65 177.800 176.217 1.583 1 1 564 . 6 1 1 A 65 65 SER CA C 65 61.600 61.894 -0.294 1 1 565 . 6 1 1 A 65 65 SER CB C 65 62.300 62.779 -0.479 1 1 566 . 6 1 1 A 65 65 SER N N 65 112.100 115.400 -3.300 1 1 567 . 6 1 1 A 66 66 LYS H H 66 7.650 7.774 -0.124 1 1 568 . 6 1 1 A 66 66 LYS HA H 66 3.870 4.128 -0.258 1 1 572 . 6 1 1 A 66 66 LYS C C 66 176.700 177.686 -0.986 1 1 573 . 6 1 1 A 66 66 LYS CA C 66 58.900 59.201 -0.301 1 1 574 . 6 1 1 A 66 66 LYS CB C 66 32.700 32.150 0.550 1 1 575 . 6 1 1 A 66 66 LYS N N 66 124.100 122.243 1.857 1 1 576 . 6 1 1 A 67 67 TYR H H 67 7.040 7.444 -0.404 1 1 577 . 6 1 1 A 67 67 TYR HA H 67 4.640 4.579 0.061 1 1 580 . 6 1 1 A 67 67 TYR C C 67 173.600 174.882 -1.282 1 1 581 . 6 1 1 A 67 67 TYR CA C 67 58.400 58.573 -0.173 1 1 582 . 6 1 1 A 67 67 TYR CB C 67 37.700 39.475 -1.775 1 1 583 . 6 1 1 A 67 67 TYR N N 67 113.800 116.051 -2.251 1 1 584 . 6 1 1 A 68 68 GLN H H 68 7.850 7.951 -0.101 1 1 585 . 6 1 1 A 68 68 GLN HA H 68 3.830 3.820 0.010 1 1 588 . 6 1 1 A 68 68 GLN C C 68 174.700 174.428 0.272 1 1 589 . 6 1 1 A 68 68 GLN CA C 68 57.400 56.883 0.517 1 1 590 . 6 1 1 A 68 68 GLN CB C 68 25.000 27.003 -2.003 1 1 591 . 6 1 1 A 68 68 GLN N N 68 113.700 119.126 -5.426 1 1 592 . 6 1 1 A 69 69 LEU H H 69 8.070 8.510 -0.440 1 1 593 . 6 1 1 A 69 69 LEU HA H 69 4.530 4.785 -0.255 1 1 602 . 6 1 1 A 69 69 LEU C C 69 176.800 175.889 0.911 1 1 603 . 6 1 1 A 69 69 LEU CA C 69 54.900 53.587 1.313 1 1 604 . 6 1 1 A 69 69 LEU CB C 69 43.200 44.355 -1.155 1 1 605 . 6 1 1 A 69 69 LEU N N 69 120.800 119.610 1.190 1 1 606 . 6 1 1 A 70 70 ASP H H 70 8.580 8.967 -0.387 1 1 607 . 6 1 1 A 70 70 ASP HA H 70 4.650 4.760 -0.110 1 1 610 . 6 1 1 A 70 70 ASP C C 70 174.800 174.764 0.036 1 1 611 . 6 1 1 A 70 70 ASP CA C 70 53.200 53.871 -0.671 1 1 612 . 6 1 1 A 70 70 ASP CB C 70 41.600 42.117 -0.517 1 1 613 . 6 1 1 A 70 70 ASP N N 70 120.400 122.244 -1.844 1 1 614 . 6 1 1 A 71 71 LYS H H 71 7.720 7.288 0.432 1 1 615 . 6 1 1 A 71 71 LYS HA H 71 4.550 4.407 0.143 1 1 619 . 6 1 1 A 71 71 LYS C C 71 173.100 174.693 -1.593 1 1 620 . 6 1 1 A 71 71 LYS CA C 71 54.300 54.603 -0.303 1 1 621 . 6 1 1 A 71 71 LYS CB C 71 34.100 34.785 -0.685 1 1 622 . 6 1 1 A 71 71 LYS N N 71 117.300 115.455 1.845 1 1 623 . 6 1 1 A 72 72 ASP H H 72 7.780 8.531 -0.751 1 1 624 . 6 1 1 A 72 72 ASP HA H 72 4.650 4.388 0.262 1 1 627 . 6 1 1 A 72 72 ASP C C 72 177.600 175.677 1.923 1 1 628 . 6 1 1 A 72 72 ASP CA C 72 54.500 53.801 0.699 1 1 629 . 6 1 1 A 72 72 ASP CB C 72 41.500 41.588 -0.088 1 1 630 . 6 1 1 A 72 72 ASP N N 72 116.900 120.011 -3.111 1 1 631 . 6 1 1 A 73 73 GLY H H 73 8.660 8.543 0.117 1 1 632 . 6 1 1 A 73 73 GLY HA2 H 73 3.890 4.088 -0.198 1 1 633 . 6 1 1 A 73 73 GLY C C 73 169.700 172.530 -2.830 1 1 634 . 6 1 1 A 73 73 GLY CA C 73 45.500 44.827 0.673 1 1 635 . 6 1 1 A 73 73 GLY N N 73 107.400 106.974 0.426 1 1 636 . 6 1 1 A 74 74 VAL H H 74 8.490 8.246 0.244 1 1 637 . 6 1 1 A 74 74 VAL HA H 74 4.840 4.935 -0.095 1 1 642 . 6 1 1 A 74 74 VAL C C 74 173.500 175.065 -1.565 1 1 643 . 6 1 1 A 74 74 VAL CA C 74 61.300 60.502 0.798 1 1 644 . 6 1 1 A 74 74 VAL CB C 74 35.500 33.929 1.571 1 1 645 . 6 1 1 A 74 74 VAL N N 74 117.900 121.197 -3.297 1 1 646 . 6 1 1 A 75 75 VAL H H 75 8.930 9.596 -0.666 1 1 647 . 6 1 1 A 75 75 VAL HA H 75 4.580 5.374 -0.794 1 1 655 . 6 1 1 A 75 75 VAL C C 75 172.700 173.835 -1.135 1 1 656 . 6 1 1 A 75 75 VAL CA C 75 61.100 60.628 0.472 1 1 657 . 6 1 1 A 75 75 VAL CB C 75 35.600 36.254 -0.654 1 1 658 . 6 1 1 A 75 75 VAL N N 75 126.900 126.510 0.390 1 1 659 . 6 1 1 A 76 76 LEU H H 76 8.690 9.258 -0.568 1 1 660 . 6 1 1 A 76 76 LEU HA H 76 4.980 5.193 -0.213 1 1 666 . 6 1 1 A 76 76 LEU C C 76 173.400 174.777 -1.377 1 1 667 . 6 1 1 A 76 76 LEU CA C 76 54.200 53.699 0.501 1 1 668 . 6 1 1 A 76 76 LEU CB C 76 46.000 44.884 1.116 1 1 669 . 6 1 1 A 76 76 LEU N N 76 128.000 129.803 -1.803 1 1 670 . 6 1 1 A 77 77 PHE H H 77 9.600 9.599 0.001 1 1 671 . 6 1 1 A 77 77 PHE HA H 77 4.930 5.478 -0.548 1 1 674 . 6 1 1 A 77 77 PHE C C 77 173.800 174.405 -0.605 1 1 675 . 6 1 1 A 77 77 PHE CA C 77 56.800 56.874 -0.074 1 1 676 . 6 1 1 A 77 77 PHE CB C 77 42.100 41.478 0.622 1 1 677 . 6 1 1 A 77 77 PHE N N 77 126.500 126.033 0.467 1 1 678 . 6 1 1 A 78 78 LYS H H 78 8.410 8.555 -0.145 1 1 679 . 6 1 1 A 78 78 LYS HA H 78 5.410 4.872 0.538 1 1 684 . 6 1 1 A 78 78 LYS C C 78 176.600 176.592 0.008 1 1 685 . 6 1 1 A 78 78 LYS CA C 78 53.500 54.388 -0.888 1 1 686 . 6 1 1 A 78 78 LYS CB C 78 34.600 35.702 -1.102 1 1 687 . 6 1 1 A 78 78 LYS N N 78 115.800 121.201 -5.401 1 1 688 . 6 1 1 A 79 79 LYS H H 79 8.010 8.886 -0.876 1 1 689 . 6 1 1 A 79 79 LYS HA H 79 4.370 4.114 0.256 1 1 693 . 6 1 1 A 79 79 LYS C C 79 175.000 176.307 -1.307 1 1 694 . 6 1 1 A 79 79 LYS CA C 79 56.000 59.427 -3.427 1 1 695 . 6 1 1 A 79 79 LYS CB C 79 31.900 33.108 -1.208 1 1 696 . 6 1 1 A 79 79 LYS N N 79 121.400 125.876 -4.476 1 1 697 . 6 1 1 A 80 80 PHE H H 80 6.620 7.967 -1.347 1 1 698 . 6 1 1 A 80 80 PHE HA H 80 4.880 4.945 -0.065 1 1 700 . 6 1 1 A 80 80 PHE C C 80 174.000 174.764 -0.764 1 1 701 . 6 1 1 A 80 80 PHE CA C 80 54.400 55.922 -1.522 1 1 702 . 6 1 1 A 80 80 PHE CB C 80 40.400 41.439 -1.039 1 1 703 . 6 1 1 A 80 80 PHE N N 80 113.500 113.279 0.221 1 1 704 . 6 1 1 A 81 81 ASP H H 81 8.980 8.983 -0.003 1 1 705 . 6 1 1 A 81 81 ASP HA H 81 4.270 4.391 -0.121 1 1 708 . 6 1 1 A 81 81 ASP C C 81 176.600 176.260 0.340 1 1 709 . 6 1 1 A 81 81 ASP CA C 81 56.000 55.777 0.223 1 1 710 . 6 1 1 A 81 81 ASP CB C 81 40.200 39.904 0.296 1 1 711 . 6 1 1 A 81 81 ASP N N 81 117.700 118.453 -0.753 1 1 712 . 6 1 1 A 82 82 GLU H H 82 10.320 8.718 1.602 1 1 713 . 6 1 1 A 82 82 GLU HA H 82 4.340 4.175 0.165 1 1 716 . 6 1 1 A 82 82 GLU C C 82 178.700 177.274 1.426 1 1 717 . 6 1 1 A 82 82 GLU CA C 82 58.200 56.424 1.776 1 1 718 . 6 1 1 A 82 82 GLU CB C 82 28.600 29.967 -1.367 1 1 719 . 6 1 1 A 82 82 GLU N N 82 123.900 125.380 -1.480 1 1 720 . 6 1 1 A 83 83 GLY H H 83 7.780 8.596 -0.816 1 1 721 . 6 1 1 A 83 83 GLY HA2 H 83 4.150 3.888 0.262 1 1 722 . 6 1 1 A 83 83 GLY HA3 H 83 4.290 3.895 0.395 1 1 723 . 6 1 1 A 83 83 GLY C C 83 174.400 173.357 1.043 1 1 724 . 6 1 1 A 83 83 GLY CA C 83 46.600 45.644 0.956 1 1 725 . 6 1 1 A 83 83 GLY N N 83 109.200 109.827 -0.627 1 1 726 . 6 1 1 A 84 84 ARG H H 84 7.200 7.733 -0.533 1 1 727 . 6 1 1 A 84 84 ARG HA H 84 5.210 5.437 -0.227 1 1 731 . 6 1 1 A 84 84 ARG C C 84 174.000 174.297 -0.297 1 1 732 . 6 1 1 A 84 84 ARG CA C 84 55.000 54.427 0.573 1 1 733 . 6 1 1 A 84 84 ARG CB C 84 32.500 33.121 -0.621 1 1 734 . 6 1 1 A 84 84 ARG N N 84 121.000 116.223 4.777 1 1 735 . 6 1 1 A 85 85 ASN H H 85 9.270 9.402 -0.132 1 1 736 . 6 1 1 A 85 85 ASN HA H 85 5.000 5.384 -0.384 1 1 739 . 6 1 1 A 85 85 ASN C C 85 172.900 174.532 -1.632 1 1 740 . 6 1 1 A 85 85 ASN CA C 85 53.800 52.073 1.727 1 1 741 . 6 1 1 A 85 85 ASN CB C 85 43.600 40.261 3.339 1 1 742 . 6 1 1 A 85 85 ASN N N 85 121.600 121.560 0.040 1 1 743 . 6 1 1 A 86 86 ASN H H 86 9.150 8.889 0.261 1 1 744 . 6 1 1 A 86 86 ASN HA H 86 5.000 5.609 -0.609 1 1 746 . 6 1 1 A 86 86 ASN C C 86 174.400 175.720 -1.320 1 1 747 . 6 1 1 A 86 86 ASN CA C 86 52.400 53.056 -0.656 1 1 748 . 6 1 1 A 86 86 ASN CB C 86 38.600 39.375 -0.775 1 1 749 . 6 1 1 A 86 86 ASN N N 86 123.200 123.487 -0.287 1 1 750 . 6 1 1 A 87 87 PHE H H 87 8.380 9.611 -1.231 1 1 751 . 6 1 1 A 87 87 PHE HA H 87 3.460 4.648 -1.188 1 1 754 . 6 1 1 A 87 87 PHE C C 87 174.600 177.034 -2.434 1 1 755 . 6 1 1 A 87 87 PHE CA C 87 59.000 59.218 -0.218 1 1 756 . 6 1 1 A 87 87 PHE CB C 87 39.000 39.246 -0.246 1 1 757 . 6 1 1 A 87 87 PHE N N 87 124.900 122.964 1.936 1 1 758 . 6 1 1 A 88 88 GLU H H 88 7.450 8.482 -1.032 1 1 759 . 6 1 1 A 88 88 GLU HA H 88 4.270 3.982 0.288 1 1 763 . 6 1 1 A 88 88 GLU C C 88 173.900 177.524 -3.624 1 1 764 . 6 1 1 A 88 88 GLU CA C 88 54.800 59.366 -4.566 1 1 765 . 6 1 1 A 88 88 GLU CB C 88 31.700 29.511 2.189 1 1 766 . 6 1 1 A 88 88 GLU N N 88 128.600 123.568 5.032 1 1 767 . 6 1 1 A 89 89 GLY H H 89 7.050 7.414 -0.364 1 1 768 . 6 1 1 A 89 89 GLY HA2 H 89 3.700 3.969 -0.269 1 1 769 . 6 1 1 A 89 89 GLY HA3 H 89 3.840 3.974 -0.134 1 1 770 . 6 1 1 A 89 89 GLY C C 89 172.600 174.891 -2.291 1 1 771 . 6 1 1 A 89 89 GLY CA C 89 43.400 45.507 -2.107 1 1 772 . 6 1 1 A 89 89 GLY N N 89 108.600 105.090 3.510 1 1 773 . 6 1 1 A 90 90 GLU H H 90 8.450 7.930 0.520 1 1 774 . 6 1 1 A 90 90 GLU HA H 90 4.290 4.355 -0.065 1 1 778 . 6 1 1 A 90 90 GLU C C 90 177.400 176.255 1.145 1 1 779 . 6 1 1 A 90 90 GLU CA C 90 56.200 57.175 -0.975 1 1 780 . 6 1 1 A 90 90 GLU CB C 90 29.900 30.335 -0.435 1 1 781 . 6 1 1 A 90 90 GLU N N 90 120.400 121.148 -0.748 1 1 782 . 6 1 1 A 91 91 VAL H H 91 9.140 8.596 0.544 1 1 783 . 6 1 1 A 91 91 VAL HA H 91 3.730 4.688 -0.958 1 1 791 . 6 1 1 A 91 91 VAL C C 91 173.600 175.248 -1.648 1 1 792 . 6 1 1 A 91 91 VAL CA C 91 64.400 61.424 2.976 1 1 793 . 6 1 1 A 91 91 VAL CB C 91 29.800 32.851 -3.051 1 1 794 . 6 1 1 A 91 91 VAL N N 91 126.500 121.633 4.867 1 1 795 . 6 1 1 A 92 92 THR H H 92 7.210 8.870 -1.660 1 1 796 . 6 1 1 A 92 92 THR HA H 92 4.630 4.806 -0.176 1 1 801 . 6 1 1 A 92 92 THR C C 92 174.100 175.007 -0.907 1 1 802 . 6 1 1 A 92 92 THR CA C 92 58.000 61.342 -3.342 1 1 803 . 6 1 1 A 92 92 THR CB C 92 72.400 71.537 0.863 1 1 804 . 6 1 1 A 92 92 THR N N 92 117.900 121.076 -3.176 1 1 805 . 6 1 1 A 93 93 LYS H H 93 9.360 8.797 0.563 1 1 806 . 6 1 1 A 93 93 LYS HA H 93 3.680 3.992 -0.312 1 1 810 . 6 1 1 A 93 93 LYS C C 93 177.100 178.598 -1.498 1 1 811 . 6 1 1 A 93 93 LYS CA C 93 60.700 59.285 1.415 1 1 812 . 6 1 1 A 93 93 LYS CB C 93 32.100 32.032 0.068 1 1 813 . 6 1 1 A 93 93 LYS N N 93 124.100 124.854 -0.754 1 1 814 . 6 1 1 A 94 94 GLU H H 94 9.120 8.369 0.751 1 1 815 . 6 1 1 A 94 94 GLU HA H 94 3.900 4.088 -0.188 1 1 819 . 6 1 1 A 94 94 GLU C C 94 179.100 178.912 0.188 1 1 820 . 6 1 1 A 94 94 GLU CA C 94 60.700 59.388 1.312 1 1 821 . 6 1 1 A 94 94 GLU CB C 94 28.700 29.333 -0.633 1 1 822 . 6 1 1 A 94 94 GLU N N 94 116.600 119.115 -2.515 1 1 823 . 6 1 1 A 95 95 ASN H H 95 8.020 8.320 -0.300 1 1 824 . 6 1 1 A 95 95 ASN HA H 95 4.650 4.531 0.119 1 1 827 . 6 1 1 A 95 95 ASN C C 95 179.700 178.340 1.360 1 1 828 . 6 1 1 A 95 95 ASN CA C 95 55.300 56.243 -0.943 1 1 829 . 6 1 1 A 95 95 ASN CB C 95 37.500 38.205 -0.705 1 1 830 . 6 1 1 A 95 95 ASN N N 95 118.100 118.563 -0.463 1 1 831 . 6 1 1 A 96 96 LEU H H 96 8.550 8.624 -0.074 1 1 832 . 6 1 1 A 96 96 LEU HA H 96 3.960 4.317 -0.357 1 1 842 . 6 1 1 A 96 96 LEU C C 96 178.400 179.413 -1.013 1 1 843 . 6 1 1 A 96 96 LEU CA C 96 57.500 58.083 -0.583 1 1 844 . 6 1 1 A 96 96 LEU CB C 96 42.200 42.112 0.088 1 1 845 . 6 1 1 A 96 96 LEU N N 96 121.600 120.960 0.640 1 1 846 . 6 1 1 A 97 97 LEU H H 97 8.500 8.188 0.312 1 1 847 . 6 1 1 A 97 97 LEU HA H 97 4.010 3.948 0.062 1 1 853 . 6 1 1 A 97 97 LEU C C 97 179.200 178.793 0.407 1 1 854 . 6 1 1 A 97 97 LEU CA C 97 58.900 58.163 0.737 1 1 855 . 6 1 1 A 97 97 LEU CB C 97 40.900 41.436 -0.536 1 1 856 . 6 1 1 A 97 97 LEU N N 97 120.100 118.048 2.052 1 1 857 . 6 1 1 A 98 98 ASP H H 98 7.660 8.079 -0.419 1 1 858 . 6 1 1 A 98 98 ASP HA H 98 4.410 4.169 0.241 1 1 861 . 6 1 1 A 98 98 ASP C C 98 177.800 178.147 -0.347 1 1 862 . 6 1 1 A 98 98 ASP CA C 98 57.700 57.212 0.488 1 1 863 . 6 1 1 A 98 98 ASP CB C 98 41.100 41.053 0.047 1 1 864 . 6 1 1 A 98 98 ASP N N 98 118.700 119.080 -0.380 1 1 865 . 6 1 1 A 99 99 PHE H H 99 7.900 9.044 -1.144 1 1 866 . 6 1 1 A 99 99 PHE HA H 99 4.530 4.034 0.496 1 1 869 . 6 1 1 A 99 99 PHE C C 99 177.600 177.226 0.374 1 1 870 . 6 1 1 A 99 99 PHE CA C 99 60.400 61.330 -0.930 1 1 871 . 6 1 1 A 99 99 PHE CB C 99 39.800 39.173 0.627 1 1 872 . 6 1 1 A 99 99 PHE N N 99 120.800 120.139 0.661 1 1 873 . 6 1 1 A 100 100 ILE H H 100 8.780 8.855 -0.075 1 1 874 . 6 1 1 A 100 100 ILE HA H 100 3.120 3.936 -0.816 1 1 883 . 6 1 1 A 100 100 ILE C C 100 177.400 178.203 -0.803 1 1 884 . 6 1 1 A 100 100 ILE CA C 100 65.500 65.325 0.175 1 1 885 . 6 1 1 A 100 100 ILE CB C 100 38.500 37.990 0.510 1 1 886 . 6 1 1 A 100 100 ILE N N 100 121.400 121.109 0.291 1 1 887 . 6 1 1 A 101 101 LYS H H 101 8.210 8.549 -0.339 1 1 888 . 6 1 1 A 101 101 LYS HA H 101 4.200 4.070 0.130 1 1 893 . 6 1 1 A 101 101 LYS C C 101 179.400 179.122 0.278 1 1 894 . 6 1 1 A 101 101 LYS CA C 101 59.300 59.235 0.065 1 1 895 . 6 1 1 A 101 101 LYS CB C 101 31.800 32.219 -0.419 1 1 896 . 6 1 1 A 101 101 LYS N N 101 117.900 120.458 -2.558 1 1 897 . 6 1 1 A 102 102 HIS H H 102 7.870 8.166 -0.296 1 1 898 . 6 1 1 A 102 102 HIS HA H 102 4.420 4.389 0.031 1 1 900 . 6 1 1 A 102 102 HIS C C 102 175.900 177.284 -1.384 1 1 901 . 6 1 1 A 102 102 HIS CA C 102 58.400 59.818 -1.418 1 1 902 . 6 1 1 A 102 102 HIS CB C 102 30.100 29.916 0.184 1 1 903 . 6 1 1 A 102 102 HIS N N 102 113.900 117.808 -3.908 1 1 904 . 6 1 1 A 103 103 ASN H H 103 7.270 8.422 -1.152 1 1 905 . 6 1 1 A 103 103 ASN HA H 103 4.840 4.420 0.420 1 1 908 . 6 1 1 A 103 103 ASN C C 103 174.500 176.224 -1.724 1 1 909 . 6 1 1 A 103 103 ASN CA C 103 54.400 55.404 -1.004 1 1 910 . 6 1 1 A 103 103 ASN CB C 103 41.100 38.495 2.605 1 1 911 . 6 1 1 A 103 103 ASN N N 103 113.900 116.925 -3.025 1 1 912 . 6 1 1 A 104 104 GLN H H 104 7.650 7.743 -0.093 1 1 913 . 6 1 1 A 104 104 GLN HA H 104 4.250 4.447 -0.197 1 1 917 . 6 1 1 A 104 104 GLN C C 104 173.800 175.818 -2.018 1 1 918 . 6 1 1 A 104 104 GLN CA C 104 57.400 55.350 2.050 1 1 919 . 6 1 1 A 104 104 GLN CB C 104 28.900 29.089 -0.189 1 1 920 . 6 1 1 A 104 104 GLN N N 104 115.000 117.584 -2.584 1 1 921 . 6 1 1 A 105 105 LEU H H 105 7.500 7.407 0.093 1 1 922 . 6 1 1 A 105 105 LEU HA H 105 4.720 4.858 -0.138 1 1 927 . 6 1 1 A 105 105 LEU CA C 105 51.800 51.177 0.623 1 1 928 . 6 1 1 A 105 105 LEU CB C 105 42.100 44.488 -2.388 1 1 929 . 6 1 1 A 105 105 LEU N N 105 119.700 122.097 -2.397 1 1 930 . 6 1 1 A 106 106 PRO HA H 106 4.380 4.440 -0.060 1 1 931 . 6 1 1 A 106 106 PRO C C 106 175.600 177.610 -2.010 1 1 932 . 6 1 1 A 106 106 PRO CA C 106 61.700 62.197 -0.497 1 1 933 . 6 1 1 A 106 106 PRO CB C 106 31.800 32.882 -1.082 1 1 934 . 6 1 1 A 107 107 LEU H H 107 9.440 8.550 0.890 1 1 935 . 6 1 1 A 107 107 LEU HA H 107 3.980 3.909 0.071 1 1 941 . 6 1 1 A 107 107 LEU C C 107 177.100 176.111 0.989 1 1 942 . 6 1 1 A 107 107 LEU CA C 107 57.800 57.485 0.315 1 1 943 . 6 1 1 A 107 107 LEU CB C 107 42.700 42.033 0.667 1 1 944 . 6 1 1 A 107 107 LEU N N 107 123.400 121.233 2.167 1 1 945 . 6 1 1 A 108 108 VAL H H 108 7.730 7.782 -0.052 1 1 946 . 6 1 1 A 108 108 VAL HA H 108 5.010 5.446 -0.436 1 1 951 . 6 1 1 A 108 108 VAL C C 108 174.800 174.469 0.331 1 1 952 . 6 1 1 A 108 108 VAL CA C 108 59.400 59.346 0.054 1 1 953 . 6 1 1 A 108 108 VAL CB C 108 34.400 34.784 -0.384 1 1 954 . 6 1 1 A 108 108 VAL N N 108 109.700 113.910 -4.210 1 1 955 . 6 1 1 A 109 109 ILE H H 109 8.700 8.735 -0.035 1 1 956 . 6 1 1 A 109 109 ILE HA H 109 4.210 4.908 -0.698 1 1 965 . 6 1 1 A 109 109 ILE C C 109 173.500 172.773 0.727 1 1 966 . 6 1 1 A 109 109 ILE CA C 109 59.900 59.048 0.852 1 1 967 . 6 1 1 A 109 109 ILE CB C 109 41.600 42.329 -0.729 1 1 968 . 6 1 1 A 109 109 ILE N N 109 124.500 123.638 0.862 1 1 969 . 6 1 1 A 110 110 GLU H H 110 8.410 8.082 0.328 1 1 970 . 6 1 1 A 110 110 GLU HA H 110 3.430 4.123 -0.693 1 1 973 . 6 1 1 A 110 110 GLU C C 110 176.000 176.094 -0.094 1 1 974 . 6 1 1 A 110 110 GLU CA C 110 54.700 56.078 -1.378 1 1 975 . 6 1 1 A 110 110 GLU CB C 110 29.800 29.835 -0.035 1 1 976 . 6 1 1 A 110 110 GLU N N 110 128.200 128.917 -0.717 1 1 977 . 6 1 1 A 111 111 PHE H H 111 8.680 8.743 -0.063 1 1 978 . 6 1 1 A 111 111 PHE HA H 111 3.850 4.572 -0.722 1 1 981 . 6 1 1 A 111 111 PHE C C 111 173.600 174.671 -1.071 1 1 982 . 6 1 1 A 111 111 PHE CA C 111 59.500 59.481 0.019 1 1 983 . 6 1 1 A 111 111 PHE CB C 111 40.200 39.466 0.734 1 1 984 . 6 1 1 A 111 111 PHE N N 111 128.800 127.282 1.518 1 1 985 . 6 1 1 A 112 112 THR H H 112 7.310 7.668 -0.358 1 1 986 . 6 1 1 A 112 112 THR HA H 112 4.500 4.497 0.003 1 1 991 . 6 1 1 A 112 112 THR C C 112 173.700 174.454 -0.754 1 1 992 . 6 1 1 A 112 112 THR CA C 112 59.200 60.079 -0.879 1 1 993 . 6 1 1 A 112 112 THR CB C 112 73.500 71.043 2.457 1 1 994 . 6 1 1 A 112 112 THR N N 112 119.800 116.650 3.150 1 1 995 . 6 1 1 A 113 113 GLU H H 113 8.930 8.957 -0.027 1 1 996 . 6 1 1 A 113 113 GLU HA H 113 3.890 3.861 0.029 1 1 1000 . 6 1 1 A 113 113 GLU C C 113 178.100 178.714 -0.614 1 1 1001 . 6 1 1 A 113 113 GLU CA C 113 59.100 59.873 -0.773 1 1 1002 . 6 1 1 A 113 113 GLU CB C 113 29.200 28.992 0.208 1 1 1003 . 6 1 1 A 113 113 GLU N N 113 120.100 121.043 -0.943 1 1 1004 . 6 1 1 A 114 114 GLN H H 114 7.940 7.778 0.162 1 1 1005 . 6 1 1 A 114 114 GLN HA H 114 4.130 4.036 0.094 1 1 1008 . 6 1 1 A 114 114 GLN C C 114 177.800 178.632 -0.832 1 1 1009 . 6 1 1 A 114 114 GLN CA C 114 58.200 58.608 -0.408 1 1 1010 . 6 1 1 A 114 114 GLN CB C 114 28.600 28.388 0.212 1 1 1011 . 6 1 1 A 114 114 GLN N N 114 114.800 119.259 -4.459 1 1 1012 . 6 1 1 A 115 115 THR H H 115 7.500 7.624 -0.124 1 1 1013 . 6 1 1 A 115 115 THR HA H 115 4.180 3.780 0.400 1 1 1018 . 6 1 1 A 115 115 THR C C 115 175.800 176.168 -0.368 1 1 1019 . 6 1 1 A 115 115 THR CA C 115 61.900 66.392 -4.492 1 1 1020 . 6 1 1 A 115 115 THR CB C 115 69.400 68.422 0.978 1 1 1021 . 6 1 1 A 115 115 THR N N 115 109.000 117.216 -8.216 1 1 1022 . 6 1 1 A 116 116 ALA H H 116 7.770 7.901 -0.131 1 1 1023 . 6 1 1 A 116 116 ALA HA H 116 3.840 3.899 -0.059 1 1 1027 . 6 1 1 A 116 116 ALA CA C 116 56.800 56.898 -0.098 1 1 1028 . 6 1 1 A 116 116 ALA CB C 116 16.100 16.675 -0.575 1 1 1029 . 6 1 1 A 116 116 ALA N N 116 125.500 122.706 2.794 1 1 1030 . 6 1 1 A 117 117 PRO HA H 117 4.370 3.935 0.435 1 1 1031 . 6 1 1 A 117 117 PRO C C 117 179.500 178.741 0.759 1 1 1032 . 6 1 1 A 117 117 PRO CA C 117 65.800 65.628 0.172 1 1 1033 . 6 1 1 A 117 117 PRO CB C 117 30.800 30.539 0.261 1 1 1034 . 6 1 1 A 118 118 LYS H H 118 7.260 7.639 -0.379 1 1 1035 . 6 1 1 A 118 118 LYS HA H 118 4.140 4.099 0.041 1 1 1039 . 6 1 1 A 118 118 LYS C C 118 178.300 178.832 -0.532 1 1 1040 . 6 1 1 A 118 118 LYS CA C 118 57.500 59.314 -1.814 1 1 1041 . 6 1 1 A 118 118 LYS CB C 118 32.200 31.916 0.284 1 1 1042 . 6 1 1 A 118 118 LYS N N 118 115.800 118.184 -2.384 1 1 1043 . 6 1 1 A 119 119 ILE H H 119 7.690 7.676 0.014 1 1 1044 . 6 1 1 A 119 119 ILE HA H 119 3.440 3.874 -0.434 1 1 1053 . 6 1 1 A 119 119 ILE C C 119 177.500 178.397 -0.897 1 1 1054 . 6 1 1 A 119 119 ILE CA C 119 64.400 64.328 0.072 1 1 1055 . 6 1 1 A 119 119 ILE CB C 119 38.700 37.685 1.015 1 1 1056 . 6 1 1 A 119 119 ILE N N 119 119.300 120.199 -0.899 1 1 1057 . 6 1 1 A 120 120 PHE H H 120 8.040 8.255 -0.215 1 1 1058 . 6 1 1 A 120 120 PHE HA H 120 4.310 4.302 0.008 1 1 1061 . 6 1 1 A 120 120 PHE C C 120 176.800 177.997 -1.197 1 1 1062 . 6 1 1 A 120 120 PHE CA C 120 58.900 59.845 -0.945 1 1 1063 . 6 1 1 A 120 120 PHE CB C 120 38.400 37.629 0.771 1 1 1064 . 6 1 1 A 120 120 PHE N N 120 115.800 119.409 -3.609 1 1 1065 . 6 1 1 A 121 121 GLY H H 121 7.660 8.124 -0.464 1 1 1066 . 6 1 1 A 121 121 GLY HA2 H 121 3.830 4.124 -0.294 1 1 1067 . 6 1 1 A 121 121 GLY HA3 H 121 4.350 4.132 0.218 1 1 1068 . 6 1 1 A 121 121 GLY C C 121 174.700 175.071 -0.371 1 1 1069 . 6 1 1 A 121 121 GLY CA C 121 45.300 44.786 0.514 1 1 1070 . 6 1 1 A 121 121 GLY N N 121 106.800 108.599 -1.799 1 1 1071 . 6 1 1 A 122 122 GLY H H 122 7.620 8.648 -1.028 1 1 1072 . 6 1 1 A 122 122 GLY HA2 H 122 4.000 3.977 0.023 1 1 1073 . 6 1 1 A 122 122 GLY HA3 H 122 4.320 4.085 0.235 1 1 1074 . 6 1 1 A 122 122 GLY C C 122 173.800 174.639 -0.839 1 1 1075 . 6 1 1 A 122 122 GLY CA C 122 44.800 45.641 -0.841 1 1 1076 . 6 1 1 A 122 122 GLY N N 122 108.400 108.817 -0.417 1 1 1077 . 6 1 1 A 123 123 GLU H H 123 8.490 8.821 -0.331 1 1 1078 . 6 1 1 A 123 123 GLU HA H 123 4.160 4.047 0.113 1 1 1082 . 6 1 1 A 123 123 GLU C C 123 177.700 176.346 1.354 1 1 1083 . 6 1 1 A 123 123 GLU CA C 123 57.900 57.436 0.464 1 1 1084 . 6 1 1 A 123 123 GLU CB C 123 30.400 28.250 2.150 1 1 1085 . 6 1 1 A 123 123 GLU N N 123 117.700 116.692 1.008 1 1 1086 . 6 1 1 A 124 124 ILE H H 124 7.890 8.590 -0.700 1 1 1087 . 6 1 1 A 124 124 ILE HA H 124 4.090 4.573 -0.483 1 1 1096 . 6 1 1 A 124 124 ILE C C 124 176.700 174.777 1.923 1 1 1097 . 6 1 1 A 124 124 ILE CA C 124 62.000 62.024 -0.024 1 1 1098 . 6 1 1 A 124 124 ILE CB C 124 37.500 35.556 1.944 1 1 1099 . 6 1 1 A 124 124 ILE N N 124 119.900 116.450 3.450 1 1 1100 . 6 1 1 A 125 125 LYS H H 125 8.600 8.306 0.294 1 1 1101 . 6 1 1 A 125 125 LYS HA H 125 4.590 4.923 -0.333 1 1 1104 . 6 1 1 A 125 125 LYS C C 125 174.400 174.621 -0.221 1 1 1105 . 6 1 1 A 125 125 LYS CA C 125 55.600 54.323 1.277 1 1 1106 . 6 1 1 A 125 125 LYS CB C 125 33.000 36.881 -3.881 1 1 1107 . 6 1 1 A 125 125 LYS N N 125 125.500 124.230 1.270 1 1 1108 . 6 1 1 A 126 126 THR H H 126 6.860 8.501 -1.641 1 1 1109 . 6 1 1 A 126 126 THR HA H 126 4.940 4.987 -0.047 1 1 1114 . 6 1 1 A 126 126 THR C C 126 172.000 173.639 -1.639 1 1 1115 . 6 1 1 A 126 126 THR CA C 126 62.100 61.509 0.591 1 1 1116 . 6 1 1 A 126 126 THR CB C 126 69.700 69.734 -0.034 1 1 1117 . 6 1 1 A 126 126 THR N N 126 116.200 115.370 0.830 1 1 1118 . 6 1 1 A 127 127 HIS H H 127 8.870 8.728 0.142 1 1 1119 . 6 1 1 A 127 127 HIS HA H 127 5.470 5.373 0.097 1 1 1121 . 6 1 1 A 127 127 HIS C C 127 173.600 173.810 -0.210 1 1 1122 . 6 1 1 A 127 127 HIS CA C 127 53.700 54.370 -0.670 1 1 1123 . 6 1 1 A 127 127 HIS CB C 127 35.300 34.011 1.289 1 1 1124 . 6 1 1 A 127 127 HIS N N 127 125.900 123.085 2.815 1 1 1125 . 6 1 1 A 128 128 ILE H H 128 9.200 8.840 0.360 1 1 1126 . 6 1 1 A 128 128 ILE HA H 128 4.890 4.886 0.004 1 1 1134 . 6 1 1 A 128 128 ILE C C 128 171.100 173.805 -2.705 1 1 1135 . 6 1 1 A 128 128 ILE CA C 128 58.900 59.257 -0.357 1 1 1136 . 6 1 1 A 128 128 ILE CB C 128 40.200 41.627 -1.427 1 1 1137 . 6 1 1 A 128 128 ILE N N 128 122.600 116.217 6.383 1 1 1138 . 6 1 1 A 129 129 LEU H H 129 9.070 9.489 -0.419 1 1 1139 . 6 1 1 A 129 129 LEU HA H 129 5.040 5.160 -0.120 1 1 1148 . 6 1 1 A 129 129 LEU C C 129 174.300 174.541 -0.241 1 1 1149 . 6 1 1 A 129 129 LEU CA C 129 53.400 53.329 0.071 1 1 1150 . 6 1 1 A 129 129 LEU CB C 129 43.600 44.887 -1.287 1 1 1151 . 6 1 1 A 129 129 LEU N N 129 128.800 127.037 1.763 1 1 1152 . 6 1 1 A 130 130 LEU H H 130 8.680 8.771 -0.091 1 1 1153 . 6 1 1 A 130 130 LEU HA H 130 4.640 5.047 -0.407 1 1 1162 . 6 1 1 A 130 130 LEU C C 130 174.400 174.318 0.082 1 1 1163 . 6 1 1 A 130 130 LEU CA C 130 52.700 52.279 0.421 1 1 1164 . 6 1 1 A 130 130 LEU CB C 130 41.600 45.872 -4.272 1 1 1165 . 6 1 1 A 130 130 LEU N N 130 123.200 127.866 -4.666 1 1 1166 . 6 1 1 A 131 131 PHE H H 131 9.100 8.518 0.582 1 1 1167 . 6 1 1 A 131 131 PHE HA H 131 4.630 5.189 -0.559 1 1 1170 . 6 1 1 A 131 131 PHE C C 131 173.600 174.733 -1.133 1 1 1171 . 6 1 1 A 131 131 PHE CA C 131 56.800 57.217 -0.417 1 1 1172 . 6 1 1 A 131 131 PHE CB C 131 39.200 40.425 -1.225 1 1 1173 . 6 1 1 A 131 131 PHE N N 131 127.500 125.776 1.724 1 1 1174 . 6 1 1 A 132 132 LEU H H 132 9.000 8.956 0.044 1 1 1175 . 6 1 1 A 132 132 LEU HA H 132 5.020 4.994 0.026 1 1 1183 . 6 1 1 A 132 132 LEU CA C 132 50.700 51.229 -0.529 1 1 1184 . 6 1 1 A 132 132 LEU CB C 132 44.400 44.937 -0.537 1 1 1185 . 6 1 1 A 132 132 LEU N N 132 127.100 125.843 1.257 1 1 1186 . 6 1 1 A 133 133 PRO HA H 133 4.770 4.374 0.396 1 1 1187 . 6 1 1 A 133 133 PRO C C 133 179.100 179.276 -0.176 1 1 1188 . 6 1 1 A 133 133 PRO CA C 133 62.300 66.082 -3.782 1 1 1189 . 6 1 1 A 133 133 PRO CB C 133 31.600 31.491 0.109 1 1 1190 . 6 1 1 A 134 134 LYS H H 134 8.300 8.054 0.246 1 1 1191 . 6 1 1 A 134 134 LYS HA H 134 4.070 4.076 -0.006 1 1 1195 . 6 1 1 A 134 134 LYS C C 134 176.700 176.937 -0.237 1 1 1196 . 6 1 1 A 134 134 LYS CA C 134 58.900 59.393 -0.493 1 1 1197 . 6 1 1 A 134 134 LYS CB C 134 32.000 32.569 -0.569 1 1 1198 . 6 1 1 A 134 134 LYS N N 134 123.900 118.132 5.768 1 1 1199 . 6 1 1 A 135 135 SER H H 135 7.610 8.162 -0.552 1 1 1200 . 6 1 1 A 135 135 SER HA H 135 4.250 4.140 0.110 1 1 1202 . 6 1 1 A 135 135 SER C C 135 175.200 173.132 2.068 1 1 1203 . 6 1 1 A 135 135 SER CA C 135 58.200 59.093 -0.893 1 1 1204 . 6 1 1 A 135 135 SER CB C 135 63.300 61.695 1.605 1 1 1205 . 6 1 1 A 135 135 SER N N 135 108.200 114.310 -6.110 1 1 1206 . 6 1 1 A 136 136 VAL H H 136 7.500 7.533 -0.033 1 1 1207 . 6 1 1 A 136 136 VAL HA H 136 4.210 4.571 -0.361 1 1 1215 . 6 1 1 A 136 136 VAL C C 136 175.100 175.518 -0.418 1 1 1216 . 6 1 1 A 136 136 VAL CA C 136 61.900 60.839 1.061 1 1 1217 . 6 1 1 A 136 136 VAL CB C 136 32.600 34.064 -1.464 1 1 1218 . 6 1 1 A 136 136 VAL N N 136 122.800 115.914 6.886 1 1 1219 . 6 1 1 A 137 137 SER H H 137 8.450 9.238 -0.788 1 1 1220 . 6 1 1 A 137 137 SER HA H 137 4.300 4.705 -0.405 1 1 1222 . 6 1 1 A 137 137 SER C C 137 175.200 175.005 0.195 1 1 1223 . 6 1 1 A 137 137 SER CA C 137 59.700 60.029 -0.329 1 1 1224 . 6 1 1 A 137 137 SER CB C 137 63.000 62.951 0.049 1 1 1225 . 6 1 1 A 137 137 SER N N 137 120.800 118.142 2.658 1 1 1226 . 6 1 1 A 138 138 ASP H H 138 8.980 8.366 0.614 1 1 1227 . 6 1 1 A 138 138 ASP HA H 138 4.630 4.664 -0.034 1 1 1230 . 6 1 1 A 138 138 ASP C C 138 174.800 176.406 -1.606 1 1 1231 . 6 1 1 A 138 138 ASP CA C 138 54.000 54.091 -0.091 1 1 1232 . 6 1 1 A 138 138 ASP CB C 138 39.300 41.307 -2.007 1 1 1233 . 6 1 1 A 138 138 ASP N N 138 122.400 120.388 2.012 1 1 1234 . 6 1 1 A 139 139 TYR H H 139 7.620 8.262 -0.642 1 1 1235 . 6 1 1 A 139 139 TYR HA H 139 3.530 4.176 -0.646 1 1 1238 . 6 1 1 A 139 139 TYR C C 139 176.400 177.098 -0.698 1 1 1239 . 6 1 1 A 139 139 TYR CA C 139 62.800 60.940 1.860 1 1 1240 . 6 1 1 A 139 139 TYR CB C 139 39.100 37.236 1.864 1 1 1241 . 6 1 1 A 139 139 TYR N N 139 120.500 119.902 0.598 1 1 1242 . 6 1 1 A 140 140 ASP H H 140 8.690 7.049 1.641 1 1 1243 . 6 1 1 A 140 140 ASP HA H 140 4.210 4.220 -0.010 1 1 1245 . 6 1 1 A 140 140 ASP C C 140 179.300 178.772 0.528 1 1 1246 . 6 1 1 A 140 140 ASP CA C 140 57.200 56.907 0.293 1 1 1247 . 6 1 1 A 140 140 ASP CB C 140 40.400 40.598 -0.198 1 1 1248 . 6 1 1 A 140 140 ASP N N 140 115.200 121.811 -6.611 1 1 1249 . 6 1 1 A 141 141 GLY H H 141 7.800 8.074 -0.274 1 1 1250 . 6 1 1 A 141 141 GLY HA2 H 141 3.800 3.701 0.099 1 1 1251 . 6 1 1 A 141 141 GLY HA3 H 141 4.070 3.711 0.359 1 1 1252 . 6 1 1 A 141 141 GLY C C 141 176.800 176.045 0.755 1 1 1253 . 6 1 1 A 141 141 GLY CA C 141 47.000 47.325 -0.325 1 1 1254 . 6 1 1 A 141 141 GLY N N 141 110.300 107.891 2.409 1 1 1255 . 6 1 1 A 142 142 LYS H H 142 8.010 8.489 -0.479 1 1 1256 . 6 1 1 A 142 142 LYS HA H 142 4.030 4.117 -0.087 1 1 1259 . 6 1 1 A 142 142 LYS C C 142 179.000 179.110 -0.110 1 1 1260 . 6 1 1 A 142 142 LYS CA C 142 59.700 59.365 0.335 1 1 1261 . 6 1 1 A 142 142 LYS CB C 142 33.000 32.412 0.588 1 1 1262 . 6 1 1 A 142 142 LYS N N 142 123.200 121.841 1.359 1 1 1263 . 6 1 1 A 143 143 LEU H H 143 8.090 8.523 -0.433 1 1 1264 . 6 1 1 A 143 143 LEU HA H 143 3.760 4.105 -0.345 1 1 1273 . 6 1 1 A 143 143 LEU C C 143 179.000 178.460 0.540 1 1 1274 . 6 1 1 A 143 143 LEU CA C 143 57.500 58.313 -0.813 1 1 1275 . 6 1 1 A 143 143 LEU CB C 143 40.600 41.474 -0.874 1 1 1276 . 6 1 1 A 143 143 LEU N N 143 120.000 122.488 -2.488 1 1 1277 . 6 1 1 A 144 144 SER H H 144 8.350 8.430 -0.080 1 1 1278 . 6 1 1 A 144 144 SER HA H 144 4.120 4.187 -0.067 1 1 1280 . 6 1 1 A 144 144 SER C C 144 177.300 177.368 -0.068 1 1 1281 . 6 1 1 A 144 144 SER CA C 144 61.900 61.453 0.447 1 1 1282 . 6 1 1 A 144 144 SER CB C 144 62.300 62.450 -0.150 1 1 1283 . 6 1 1 A 144 144 SER N N 144 114.600 112.997 1.603 1 1 1284 . 6 1 1 A 145 145 ASN H H 145 7.980 7.977 0.003 1 1 1285 . 6 1 1 A 145 145 ASN HA H 145 4.460 4.411 0.049 1 1 1288 . 6 1 1 A 145 145 ASN C C 145 176.300 178.217 -1.917 1 1 1289 . 6 1 1 A 145 145 ASN CA C 145 56.600 56.352 0.248 1 1 1290 . 6 1 1 A 145 145 ASN CB C 145 38.600 38.455 0.145 1 1 1291 . 6 1 1 A 145 145 ASN N N 145 121.600 120.344 1.256 1 1 1292 . 6 1 1 A 146 146 PHE H H 146 7.710 8.709 -0.999 1 1 1293 . 6 1 1 A 146 146 PHE HA H 146 4.370 4.178 0.192 1 1 1296 . 6 1 1 A 146 146 PHE C C 146 176.200 178.316 -2.116 1 1 1297 . 6 1 1 A 146 146 PHE CA C 146 61.500 61.313 0.187 1 1 1298 . 6 1 1 A 146 146 PHE CB C 146 40.500 39.024 1.476 1 1 1299 . 6 1 1 A 146 146 PHE N N 146 121.800 118.374 3.426 1 1 1300 . 6 1 1 A 147 147 LYS H H 147 8.510 8.528 -0.018 1 1 1301 . 6 1 1 A 147 147 LYS HA H 147 3.620 4.002 -0.382 1 1 1305 . 6 1 1 A 147 147 LYS C C 147 178.200 179.451 -1.251 1 1 1306 . 6 1 1 A 147 147 LYS CA C 147 59.600 59.710 -0.110 1 1 1307 . 6 1 1 A 147 147 LYS CB C 147 32.400 32.390 0.010 1 1 1308 . 6 1 1 A 147 147 LYS N N 147 117.700 118.045 -0.345 1 1 1309 . 6 1 1 A 148 148 THR H H 148 8.280 7.894 0.386 1 1 1310 . 6 1 1 A 148 148 THR HA H 148 3.870 3.951 -0.081 1 1 1315 . 6 1 1 A 148 148 THR C C 148 177.200 177.033 0.167 1 1 1316 . 6 1 1 A 148 148 THR CA C 148 66.600 66.382 0.218 1 1 1317 . 6 1 1 A 148 148 THR CB C 148 68.200 68.669 -0.469 1 1 1318 . 6 1 1 A 148 148 THR N N 148 116.200 116.929 -0.729 1 1 1319 . 6 1 1 A 149 149 ALA H H 149 7.570 8.256 -0.686 1 1 1320 . 6 1 1 A 149 149 ALA HA H 149 4.030 3.713 0.317 1 1 1324 . 6 1 1 A 149 149 ALA C C 149 177.700 179.408 -1.708 1 1 1325 . 6 1 1 A 149 149 ALA CA C 149 54.900 55.038 -0.138 1 1 1326 . 6 1 1 A 149 149 ALA CB C 149 18.700 17.971 0.729 1 1 1327 . 6 1 1 A 149 149 ALA N N 149 124.000 123.422 0.578 1 1 1328 . 6 1 1 A 150 150 ALA H H 150 7.360 8.556 -1.196 1 1 1329 . 6 1 1 A 150 150 ALA HA H 150 1.860 4.446 -2.586 1 1 1333 . 6 1 1 A 150 150 ALA C C 150 180.600 180.186 0.414 1 1 1334 . 6 1 1 A 150 150 ALA CA C 150 53.900 55.510 -1.610 1 1 1335 . 6 1 1 A 150 150 ALA CB C 150 19.500 18.478 1.022 1 1 1336 . 6 1 1 A 150 150 ALA N N 150 119.700 120.772 -1.072 1 1 1337 . 6 1 1 A 151 151 GLU H H 151 7.050 8.369 -1.319 1 1 1338 . 6 1 1 A 151 151 GLU HA H 151 3.680 4.021 -0.341 1 1 1342 . 6 1 1 A 151 151 GLU C C 151 178.500 178.604 -0.104 1 1 1343 . 6 1 1 A 151 151 GLU CA C 151 59.000 59.123 -0.123 1 1 1344 . 6 1 1 A 151 151 GLU CB C 151 30.000 29.454 0.546 1 1 1345 . 6 1 1 A 151 151 GLU N N 151 114.200 118.567 -4.367 1 1 1346 . 6 1 1 A 152 152 SER H H 152 7.510 7.748 -0.238 1 1 1347 . 6 1 1 A 152 152 SER HA H 152 4.160 3.958 0.202 1 1 1350 . 6 1 1 A 152 152 SER C C 152 173.400 175.228 -1.828 1 1 1351 . 6 1 1 A 152 152 SER CA C 152 60.600 62.161 -1.561 1 1 1352 . 6 1 1 A 152 152 SER CB C 152 63.500 62.565 0.935 1 1 1353 . 6 1 1 A 152 152 SER N N 152 111.900 115.754 -3.854 1 1 1354 . 6 1 1 A 153 153 PHE H H 153 7.240 7.563 -0.323 1 1 1355 . 6 1 1 A 153 153 PHE HA H 153 4.750 4.803 -0.053 1 1 1358 . 6 1 1 A 153 153 PHE C C 153 174.600 174.781 -0.181 1 1 1359 . 6 1 1 A 153 153 PHE CA C 153 57.200 56.729 0.471 1 1 1360 . 6 1 1 A 153 153 PHE CB C 153 41.300 38.287 3.013 1 1 1361 . 6 1 1 A 153 153 PHE N N 153 115.800 116.202 -0.402 1 1 1362 . 6 1 1 A 154 154 LYS H H 154 7.320 7.154 0.166 1 1 1363 . 6 1 1 A 154 154 LYS HA H 154 4.380 4.287 0.093 1 1 1368 . 6 1 1 A 154 154 LYS C C 154 178.200 176.960 1.240 1 1 1369 . 6 1 1 A 154 154 LYS CA C 154 58.500 56.404 2.096 1 1 1370 . 6 1 1 A 154 154 LYS CB C 154 31.900 32.471 -0.571 1 1 1371 . 6 1 1 A 154 154 LYS N N 154 124.000 118.629 5.371 1 1 1372 . 6 1 1 A 155 155 GLY H H 155 9.720 8.996 0.724 1 1 1373 . 6 1 1 A 155 155 GLY HA2 H 155 3.620 3.944 -0.324 1 1 1374 . 6 1 1 A 155 155 GLY HA3 H 155 4.290 3.978 0.312 1 1 1375 . 6 1 1 A 155 155 GLY C C 155 173.200 173.772 -0.572 1 1 1376 . 6 1 1 A 155 155 GLY CA C 155 45.500 45.821 -0.321 1 1 1377 . 6 1 1 A 155 155 GLY N N 155 115.400 112.164 3.236 1 1 1378 . 6 1 1 A 156 156 LYS H H 156 8.400 7.694 0.706 1 1 1379 . 6 1 1 A 156 156 LYS HA H 156 4.630 4.430 0.200 1 1 1383 . 6 1 1 A 156 156 LYS C C 156 175.000 176.122 -1.122 1 1 1384 . 6 1 1 A 156 156 LYS CA C 156 57.100 56.801 0.299 1 1 1385 . 6 1 1 A 156 156 LYS CB C 156 35.800 35.438 0.362 1 1 1386 . 6 1 1 A 156 156 LYS N N 156 118.700 117.458 1.242 1 1 1387 . 6 1 1 A 157 157 ILE H H 157 7.890 7.603 0.287 1 1 1388 . 6 1 1 A 157 157 ILE HA H 157 4.330 5.093 -0.763 1 1 1396 . 6 1 1 A 157 157 ILE C C 157 175.000 172.781 2.219 1 1 1397 . 6 1 1 A 157 157 ILE CA C 157 60.400 59.846 0.554 1 1 1398 . 6 1 1 A 157 157 ILE CB C 157 43.600 41.816 1.784 1 1 1399 . 6 1 1 A 157 157 ILE N N 157 116.600 118.047 -1.447 1 1 1400 . 6 1 1 A 158 158 LEU H H 158 8.300 8.654 -0.354 1 1 1401 . 6 1 1 A 158 158 LEU HA H 158 4.840 4.574 0.266 1 1 1410 . 6 1 1 A 158 158 LEU C C 158 175.000 174.250 0.750 1 1 1411 . 6 1 1 A 158 158 LEU CA C 158 54.500 52.105 2.395 1 1 1412 . 6 1 1 A 158 158 LEU CB C 158 43.300 44.509 -1.209 1 1 1413 . 6 1 1 A 158 158 LEU N N 158 129.800 128.964 0.836 1 1 1414 . 6 1 1 A 159 159 PHE H H 159 9.310 7.700 1.610 1 1 1415 . 6 1 1 A 159 159 PHE HA H 159 4.890 4.895 -0.005 1 1 1418 . 6 1 1 A 159 159 PHE C C 159 178.500 175.488 3.012 1 1 1419 . 6 1 1 A 159 159 PHE CA C 159 56.600 56.906 -0.306 1 1 1420 . 6 1 1 A 159 159 PHE CB C 159 39.100 39.781 -0.681 1 1 1421 . 6 1 1 A 159 159 PHE N N 159 130.000 127.135 2.865 1 1 1422 . 6 1 1 A 160 160 ILE H H 160 9.130 9.742 -0.612 1 1 1423 . 6 1 1 A 160 160 ILE HA H 160 5.470 5.010 0.460 1 1 1431 . 6 1 1 A 160 160 ILE C C 160 174.500 175.587 -1.087 1 1 1432 . 6 1 1 A 160 160 ILE CA C 160 58.700 59.389 -0.689 1 1 1433 . 6 1 1 A 160 160 ILE CB C 160 42.000 40.246 1.754 1 1 1434 . 6 1 1 A 160 160 ILE N N 160 124.100 120.210 3.890 1 1 1435 . 6 1 1 A 161 161 PHE H H 161 8.920 8.270 0.650 1 1 1436 . 6 1 1 A 161 161 PHE HA H 161 5.780 5.873 -0.093 1 1 1439 . 6 1 1 A 161 161 PHE C C 161 172.800 173.985 -1.185 1 1 1440 . 6 1 1 A 161 161 PHE CA C 161 54.500 55.148 -0.648 1 1 1441 . 6 1 1 A 161 161 PHE CB C 161 42.700 42.710 -0.010 1 1 1442 . 6 1 1 A 161 161 PHE N N 161 122.600 119.141 3.459 1 1 1443 . 6 1 1 A 162 162 ILE H H 162 8.780 9.402 -0.622 1 1 1444 . 6 1 1 A 162 162 ILE HA H 162 4.310 4.978 -0.668 1 1 1451 . 6 1 1 A 162 162 ILE C C 162 174.000 174.238 -0.238 1 1 1452 . 6 1 1 A 162 162 ILE CA C 162 59.600 59.145 0.455 1 1 1453 . 6 1 1 A 162 162 ILE CB C 162 42.300 41.081 1.219 1 1 1454 . 6 1 1 A 162 162 ILE N N 162 121.400 118.445 2.955 1 1 1455 . 6 1 1 A 163 163 ASP H H 163 8.410 8.670 -0.260 1 1 1456 . 6 1 1 A 163 163 ASP HA H 163 5.370 4.954 0.416 1 1 1459 . 6 1 1 A 163 163 ASP C C 163 178.300 177.068 1.232 1 1 1460 . 6 1 1 A 163 163 ASP CA C 163 52.600 54.124 -1.524 1 1 1461 . 6 1 1 A 163 163 ASP CB C 163 40.500 41.691 -1.191 1 1 1462 . 6 1 1 A 163 163 ASP N N 163 123.800 126.779 -2.979 1 1 1463 . 6 1 1 A 164 164 SER H H 164 7.470 9.208 -1.738 1 1 1464 . 6 1 1 A 164 164 SER HA H 164 3.990 4.097 -0.107 1 1 1467 . 6 1 1 A 164 164 SER C C 164 173.900 174.579 -0.679 1 1 1468 . 6 1 1 A 164 164 SER CA C 164 60.500 62.261 -1.761 1 1 1469 . 6 1 1 A 164 164 SER CB C 164 64.500 62.792 1.708 1 1 1470 . 6 1 1 A 164 164 SER N N 164 124.000 122.963 1.037 1 1 1471 . 6 1 1 A 165 165 ASP H H 165 8.360 8.132 0.228 1 1 1472 . 6 1 1 A 165 165 ASP HA H 165 4.670 4.377 0.293 1 1 1475 . 6 1 1 A 165 165 ASP C C 165 177.400 176.724 0.676 1 1 1476 . 6 1 1 A 165 165 ASP CA C 165 55.600 54.764 0.836 1 1 1477 . 6 1 1 A 165 165 ASP CB C 165 41.300 39.139 2.161 1 1 1478 . 6 1 1 A 165 165 ASP N N 165 119.300 120.052 -0.752 1 1 1479 . 6 1 1 A 166 166 HIS H H 166 7.260 7.965 -0.705 1 1 1480 . 6 1 1 A 166 166 HIS HA H 166 4.400 4.440 -0.040 1 1 1482 . 6 1 1 A 166 166 HIS CA C 166 58.300 58.445 -0.145 1 1 1483 . 6 1 1 A 166 166 HIS CB C 166 31.900 29.460 2.440 1 1 1484 . 6 1 1 A 166 166 HIS N N 166 121.400 119.169 2.231 1 1 1485 . 6 1 1 A 167 167 THR HA H 167 4.050 4.268 -0.218 1 1 1490 . 6 1 1 A 167 167 THR C C 167 176.800 175.411 1.389 1 1 1491 . 6 1 1 A 167 167 THR CA C 167 66.000 64.463 1.537 1 1 1492 . 6 1 1 A 167 167 THR CB C 167 68.600 69.520 -0.920 1 1 1493 . 6 1 1 A 168 168 ASP H H 168 11.030 8.188 2.842 1 1 1494 . 6 1 1 A 168 168 ASP HA H 168 4.640 4.552 0.088 1 1 1497 . 6 1 1 A 168 168 ASP C C 168 177.500 177.832 -0.332 1 1 1498 . 6 1 1 A 168 168 ASP CA C 168 56.800 56.899 -0.099 1 1 1499 . 6 1 1 A 168 168 ASP CB C 168 39.800 40.332 -0.532 1 1 1500 . 6 1 1 A 168 168 ASP N N 168 124.900 118.730 6.170 1 1 1501 . 6 1 1 A 169 169 ASN H H 169 7.970 8.992 -1.022 1 1 1502 . 6 1 1 A 169 169 ASN HA H 169 5.260 4.806 0.454 1 1 1505 . 6 1 1 A 169 169 ASN C C 169 176.100 176.129 -0.029 1 1 1506 . 6 1 1 A 169 169 ASN CA C 169 52.700 53.528 -0.828 1 1 1507 . 6 1 1 A 169 169 ASN CB C 169 38.600 38.385 0.215 1 1 1508 . 6 1 1 A 169 169 ASN N N 169 114.600 116.772 -2.172 1 1 1509 . 6 1 1 A 170 170 GLN H H 170 7.660 8.593 -0.933 1 1 1510 . 6 1 1 A 170 170 GLN HA H 170 4.020 4.061 -0.041 1 1 1513 . 6 1 1 A 170 170 GLN C C 170 178.100 178.297 -0.197 1 1 1514 . 6 1 1 A 170 170 GLN CA C 170 59.500 58.904 0.596 1 1 1515 . 6 1 1 A 170 170 GLN CB C 170 28.000 28.307 -0.307 1 1 1516 . 6 1 1 A 170 170 GLN N N 170 121.400 119.004 2.396 1 1 1517 . 6 1 1 A 171 171 ARG H H 171 8.570 7.745 0.825 1 1 1518 . 6 1 1 A 171 171 ARG HA H 171 4.250 4.152 0.098 1 1 1521 . 6 1 1 A 171 171 ARG C C 171 178.700 178.936 -0.236 1 1 1522 . 6 1 1 A 171 171 ARG CA C 171 58.700 58.670 0.030 1 1 1523 . 6 1 1 A 171 171 ARG CB C 171 29.100 30.107 -1.007 1 1 1524 . 6 1 1 A 171 171 ARG N N 171 117.500 119.141 -1.641 1 1 1525 . 6 1 1 A 172 172 ILE H H 172 7.700 8.006 -0.306 1 1 1526 . 6 1 1 A 172 172 ILE HA H 172 4.010 3.659 0.351 1 1 1534 . 6 1 1 A 172 172 ILE C C 172 177.600 178.353 -0.753 1 1 1535 . 6 1 1 A 172 172 ILE CA C 172 63.300 65.844 -2.544 1 1 1536 . 6 1 1 A 172 172 ILE CB C 172 37.000 37.937 -0.937 1 1 1537 . 6 1 1 A 172 172 ILE N N 172 121.000 119.729 1.271 1 1 1538 . 6 1 1 A 173 173 LEU H H 173 7.400 7.831 -0.431 1 1 1539 . 6 1 1 A 173 173 LEU HA H 173 3.740 4.197 -0.457 1 1 1548 . 6 1 1 A 173 173 LEU C C 173 179.500 178.775 0.725 1 1 1549 . 6 1 1 A 173 173 LEU CA C 173 60.500 58.288 2.212 1 1 1550 . 6 1 1 A 173 173 LEU CB C 173 40.500 41.737 -1.237 1 1 1551 . 6 1 1 A 173 173 LEU N N 173 121.400 120.090 1.310 1 1 1552 . 6 1 1 A 174 174 GLU H H 174 8.030 8.125 -0.095 1 1 1553 . 6 1 1 A 174 174 GLU HA H 174 4.000 3.857 0.143 1 1 1557 . 6 1 1 A 174 174 GLU C C 174 180.200 178.866 1.334 1 1 1558 . 6 1 1 A 174 174 GLU CA C 174 59.200 59.662 -0.462 1 1 1559 . 6 1 1 A 174 174 GLU CB C 174 29.300 29.624 -0.324 1 1 1560 . 6 1 1 A 174 174 GLU N N 174 117.200 119.095 -1.895 1 1 1561 . 6 1 1 A 175 175 PHE H H 175 8.000 7.900 0.100 1 1 1562 . 6 1 1 A 175 175 PHE HA H 175 4.150 4.265 -0.115 1 1 1565 . 6 1 1 A 175 175 PHE C C 175 176.400 178.095 -1.695 1 1 1566 . 6 1 1 A 175 175 PHE CA C 175 60.800 61.453 -0.653 1 1 1567 . 6 1 1 A 175 175 PHE CB C 175 38.700 38.969 -0.269 1 1 1568 . 6 1 1 A 175 175 PHE N N 175 122.000 120.600 1.400 1 1 1569 . 6 1 1 A 176 176 PHE H H 176 7.510 7.721 -0.211 1 1 1570 . 6 1 1 A 176 176 PHE HA H 176 4.110 4.368 -0.258 1 1 1573 . 6 1 1 A 176 176 PHE C C 176 175.000 175.703 -0.703 1 1 1574 . 6 1 1 A 176 176 PHE CA C 176 59.300 60.309 -1.009 1 1 1575 . 6 1 1 A 176 176 PHE CB C 176 40.000 39.982 0.018 1 1 1576 . 6 1 1 A 176 176 PHE N N 176 113.100 118.418 -5.318 1 1 1577 . 6 1 1 A 177 177 GLY H H 177 8.030 7.881 0.149 1 1 1578 . 6 1 1 A 177 177 GLY HA2 H 177 3.850 3.929 -0.079 1 1 1579 . 6 1 1 A 177 177 GLY C C 177 173.900 174.257 -0.357 1 1 1580 . 6 1 1 A 177 177 GLY CA C 177 46.500 46.956 -0.456 1 1 1581 . 6 1 1 A 177 177 GLY N N 177 110.900 108.230 2.670 1 1 1582 . 6 1 1 A 178 178 LEU H H 178 7.730 7.877 -0.147 1 1 1583 . 6 1 1 A 178 178 LEU HA H 178 4.440 4.773 -0.333 1 1 1592 . 6 1 1 A 178 178 LEU C C 178 175.800 175.322 0.478 1 1 1593 . 6 1 1 A 178 178 LEU CA C 178 53.500 53.458 0.042 1 1 1594 . 6 1 1 A 178 178 LEU CB C 178 45.900 45.360 0.540 1 1 1595 . 6 1 1 A 178 178 LEU N N 178 120.700 121.107 -0.407 1 1 1596 . 6 1 1 A 179 179 LYS H H 179 8.170 8.465 -0.295 1 1 1597 . 6 1 1 A 179 179 LYS HA H 179 4.530 4.693 -0.163 1 1 1600 . 6 1 1 A 179 179 LYS C C 179 178.500 177.318 1.182 1 1 1601 . 6 1 1 A 179 179 LYS CA C 179 54.000 54.986 -0.986 1 1 1602 . 6 1 1 A 179 179 LYS CB C 179 34.100 35.158 -1.058 1 1 1603 . 6 1 1 A 179 179 LYS N N 179 119.500 123.614 -4.114 1 1 1604 . 6 1 1 A 180 180 LYS H H 180 9.110 8.874 0.236 1 1 1605 . 6 1 1 A 180 180 LYS HA H 180 3.820 4.096 -0.276 1 1 1609 . 6 1 1 A 180 180 LYS C C 180 179.600 177.732 1.868 1 1 1610 . 6 1 1 A 180 180 LYS CA C 180 60.900 59.101 1.799 1 1 1611 . 6 1 1 A 180 180 LYS CB C 180 32.100 32.141 -0.041 1 1 1612 . 6 1 1 A 180 180 LYS N N 180 124.200 120.896 3.304 1 1 1613 . 6 1 1 A 181 181 GLU H H 181 9.460 8.328 1.132 1 1 1614 . 6 1 1 A 181 181 GLU HA H 181 4.220 4.341 -0.121 1 1 1617 . 6 1 1 A 181 181 GLU C C 181 176.700 176.348 0.352 1 1 1618 . 6 1 1 A 181 181 GLU CA C 181 58.700 57.544 1.156 1 1 1619 . 6 1 1 A 181 181 GLU CB C 181 28.300 29.527 -1.227 1 1 1620 . 6 1 1 A 181 181 GLU N N 181 116.600 117.564 -0.964 1 1 1621 . 6 1 1 A 182 182 GLU H H 182 7.660 8.379 -0.719 1 1 1622 . 6 1 1 A 182 182 GLU HA H 182 4.320 4.481 -0.161 1 1 1625 . 6 1 1 A 182 182 GLU C C 182 174.900 175.256 -0.356 1 1 1626 . 6 1 1 A 182 182 GLU CA C 182 55.700 55.589 0.111 1 1 1627 . 6 1 1 A 182 182 GLU CB C 182 30.600 27.962 2.638 1 1 1628 . 6 1 1 A 182 182 GLU N N 182 118.300 121.086 -2.786 1 1 1629 . 6 1 1 A 183 183 CYS H H 183 7.090 7.829 -0.739 1 1 1630 . 6 1 1 A 183 183 CYS HA H 183 4.270 5.033 -0.763 1 1 1633 . 6 1 1 A 183 183 CYS CA C 183 58.200 57.370 0.830 1 1 1634 . 6 1 1 A 183 183 CYS CB C 183 27.400 29.830 -2.430 1 1 1635 . 6 1 1 A 183 183 CYS N N 183 117.700 122.335 -4.635 1 1 1636 . 6 1 1 A 184 184 PRO HA H 184 5.370 4.815 0.555 1 1 1637 . 6 1 1 A 184 184 PRO C C 184 174.300 175.984 -1.684 1 1 1638 . 6 1 1 A 184 184 PRO CA C 184 61.500 63.273 -1.773 1 1 1639 . 6 1 1 A 184 184 PRO CB C 184 36.000 32.539 3.461 1 1 1640 . 6 1 1 A 185 185 ALA H H 185 8.370 8.495 -0.125 1 1 1641 . 6 1 1 A 185 185 ALA HA H 185 4.790 4.819 -0.029 1 1 1645 . 6 1 1 A 185 185 ALA C C 185 174.800 174.602 0.198 1 1 1646 . 6 1 1 A 185 185 ALA CA C 185 51.600 51.006 0.594 1 1 1647 . 6 1 1 A 185 185 ALA CB C 185 23.400 23.706 -0.306 1 1 1648 . 6 1 1 A 185 185 ALA N N 185 123.000 121.260 1.740 1 1 1649 . 6 1 1 A 186 186 VAL H H 186 8.660 8.688 -0.028 1 1 1650 . 6 1 1 A 186 186 VAL HA H 186 5.710 4.603 1.107 1 1 1655 . 6 1 1 A 186 186 VAL C C 186 176.500 174.472 2.028 1 1 1656 . 6 1 1 A 186 186 VAL CA C 186 59.300 59.479 -0.179 1 1 1657 . 6 1 1 A 186 186 VAL CB C 186 35.300 33.929 1.371 1 1 1658 . 6 1 1 A 186 186 VAL N N 186 117.900 117.894 0.006 1 1 1659 . 6 1 1 A 187 187 ARG H H 187 8.910 9.196 -0.286 1 1 1660 . 6 1 1 A 187 187 ARG HA H 187 5.000 5.093 -0.093 1 1 1663 . 6 1 1 A 187 187 ARG C C 187 172.600 174.512 -1.912 1 1 1664 . 6 1 1 A 187 187 ARG CA C 187 53.000 54.455 -1.455 1 1 1665 . 6 1 1 A 187 187 ARG CB C 187 35.900 33.737 2.163 1 1 1666 . 6 1 1 A 187 187 ARG N N 187 123.000 127.378 -4.378 1 1 1667 . 6 1 1 A 188 188 LEU H H 188 8.790 9.083 -0.293 1 1 1668 . 6 1 1 A 188 188 LEU HA H 188 5.420 5.087 0.333 1 1 1677 . 6 1 1 A 188 188 LEU C C 188 174.600 175.423 -0.823 1 1 1678 . 6 1 1 A 188 188 LEU CA C 188 54.300 53.331 0.969 1 1 1679 . 6 1 1 A 188 188 LEU CB C 188 47.300 44.503 2.797 1 1 1680 . 6 1 1 A 188 188 LEU N N 188 124.700 124.700 0.000 1 1 1681 . 6 1 1 A 189 189 ILE H H 189 9.590 9.294 0.296 1 1 1682 . 6 1 1 A 189 189 ILE HA H 189 5.880 5.124 0.756 1 1 1690 . 6 1 1 A 189 189 ILE C C 189 173.500 174.299 -0.799 1 1 1691 . 6 1 1 A 189 189 ILE CA C 189 58.400 59.096 -0.696 1 1 1692 . 6 1 1 A 189 189 ILE CB C 189 43.000 42.468 0.532 1 1 1693 . 6 1 1 A 189 189 ILE N N 189 121.800 124.953 -3.153 1 1 1694 . 6 1 1 A 190 190 THR H H 190 8.750 8.379 0.371 1 1 1695 . 6 1 1 A 190 190 THR HA H 190 5.360 5.128 0.232 1 1 1700 . 6 1 1 A 190 190 THR C C 190 174.300 174.427 -0.127 1 1 1701 . 6 1 1 A 190 190 THR CA C 190 58.800 60.239 -1.439 1 1 1702 . 6 1 1 A 190 190 THR CB C 190 70.400 70.567 -0.167 1 1 1703 . 6 1 1 A 190 190 THR N N 190 114.200 118.208 -4.008 1 1 1704 . 6 1 1 A 191 191 LEU H H 191 8.610 9.219 -0.609 1 1 1705 . 6 1 1 A 191 191 LEU HA H 191 4.640 4.448 0.192 1 1 1711 . 6 1 1 A 191 191 LEU C C 191 176.400 176.246 0.154 1 1 1712 . 6 1 1 A 191 191 LEU CA C 191 54.500 54.212 0.288 1 1 1713 . 6 1 1 A 191 191 LEU CB C 191 42.300 42.429 -0.129 1 1 1714 . 6 1 1 A 191 191 LEU N N 191 125.500 124.709 0.791 1 1 1715 . 6 1 1 A 192 192 GLU H H 192 7.540 7.485 0.055 1 1 1716 . 6 1 1 A 192 192 GLU HA H 192 4.510 4.480 0.030 1 1 1719 . 6 1 1 A 192 192 GLU C C 192 176.100 177.897 -1.797 1 1 1720 . 6 1 1 A 192 192 GLU CA C 192 56.300 55.053 1.247 1 1 1721 . 6 1 1 A 192 192 GLU CB C 192 29.800 30.284 -0.484 1 1 1722 . 6 1 1 A 192 192 GLU N N 192 123.400 118.851 4.549 1 1 1723 . 6 1 1 A 193 193 GLU H H 193 8.490 8.993 -0.503 1 1 1724 . 6 1 1 A 193 193 GLU HA H 193 4.150 4.098 0.052 1 1 1727 . 6 1 1 A 193 193 GLU C C 193 176.700 176.777 -0.077 1 1 1728 . 6 1 1 A 193 193 GLU CA C 193 59.200 59.359 -0.159 1 1 1729 . 6 1 1 A 193 193 GLU CB C 193 29.000 28.965 0.035 1 1 1730 . 6 1 1 A 193 193 GLU N N 193 122.400 118.766 3.634 1 1 1731 . 6 1 1 A 194 194 GLU H H 194 7.990 7.887 0.103 1 1 1732 . 6 1 1 A 194 194 GLU HA H 194 4.460 4.385 0.075 1 1 1736 . 6 1 1 A 194 194 GLU C C 194 175.700 175.313 0.387 1 1 1737 . 6 1 1 A 194 194 GLU CA C 194 54.900 55.115 -0.215 1 1 1738 . 6 1 1 A 194 194 GLU CB C 194 31.400 28.231 3.169 1 1 1739 . 6 1 1 A 194 194 GLU N N 194 116.200 120.209 -4.009 1 1 1740 . 6 1 1 A 195 195 MET H H 195 8.760 8.477 0.283 1 1 1741 . 6 1 1 A 195 195 MET HA H 195 5.050 4.473 0.577 1 1 1746 . 6 1 1 A 195 195 MET C C 195 175.900 175.227 0.673 1 1 1747 . 6 1 1 A 195 195 MET CA C 195 56.000 55.492 0.508 1 1 1748 . 6 1 1 A 195 195 MET CB C 195 33.200 32.353 0.847 1 1 1749 . 6 1 1 A 195 195 MET N N 195 123.000 126.584 -3.584 1 1 1750 . 6 1 1 A 196 196 THR H H 196 8.400 8.658 -0.258 1 1 1751 . 6 1 1 A 196 196 THR HA H 196 4.400 5.390 -0.990 1 1 1756 . 6 1 1 A 196 196 THR C C 196 172.000 173.403 -1.403 1 1 1757 . 6 1 1 A 196 196 THR CA C 196 62.900 59.740 3.160 1 1 1758 . 6 1 1 A 196 196 THR CB C 196 69.800 71.594 -1.794 1 1 1759 . 6 1 1 A 196 196 THR N N 196 122.000 116.775 5.225 1 1 1760 . 6 1 1 A 197 197 LYS H H 197 8.530 9.012 -0.482 1 1 1761 . 6 1 1 A 197 197 LYS HA H 197 5.420 5.030 0.390 1 1 1764 . 6 1 1 A 197 197 LYS C C 197 174.700 174.664 0.036 1 1 1765 . 6 1 1 A 197 197 LYS CA C 197 55.000 54.841 0.159 1 1 1766 . 6 1 1 A 197 197 LYS CB C 197 35.600 35.729 -0.129 1 1 1767 . 6 1 1 A 197 197 LYS N N 197 123.900 122.971 0.929 1 1 1768 . 6 1 1 A 198 198 TYR H H 198 9.540 9.362 0.178 1 1 1769 . 6 1 1 A 198 198 TYR HA H 198 4.880 5.424 -0.544 1 1 1772 . 6 1 1 A 198 198 TYR C C 198 174.400 174.256 0.144 1 1 1773 . 6 1 1 A 198 198 TYR CA C 198 57.700 56.428 1.272 1 1 1774 . 6 1 1 A 198 198 TYR CB C 198 41.700 42.092 -0.392 1 1 1775 . 6 1 1 A 198 198 TYR N N 198 117.900 124.538 -6.638 1 1 1776 . 6 1 1 A 199 199 LYS H H 199 9.290 8.575 0.715 1 1 1777 . 6 1 1 A 199 199 LYS HA H 199 5.070 5.061 0.009 1 1 1781 . 6 1 1 A 199 199 LYS CA C 199 52.500 53.703 -1.203 1 1 1782 . 6 1 1 A 199 199 LYS CB C 199 35.400 34.346 1.054 1 1 1783 . 6 1 1 A 199 199 LYS N N 199 122.600 124.430 -1.830 1 1 1784 . 6 1 1 A 200 200 PRO HA H 200 4.120 4.892 -0.772 1 1 1785 . 6 1 1 A 200 200 PRO C C 200 176.700 175.657 1.043 1 1 1786 . 6 1 1 A 200 200 PRO CA C 200 62.000 62.600 -0.600 1 1 1787 . 6 1 1 A 200 200 PRO CB C 200 31.200 33.601 -2.401 1 1 1788 . 6 1 1 A 201 201 GLU H H 201 9.010 9.173 -0.163 1 1 1789 . 6 1 1 A 201 201 GLU HA H 201 4.110 4.528 -0.418 1 1 1793 . 6 1 1 A 201 201 GLU C C 201 176.100 175.732 0.368 1 1 1794 . 6 1 1 A 201 201 GLU CA C 201 57.600 57.931 -0.331 1 1 1795 . 6 1 1 A 201 201 GLU CB C 201 30.400 31.608 -1.208 1 1 1796 . 6 1 1 A 201 201 GLU N N 201 119.700 120.742 -1.042 1 1 1797 . 6 1 1 A 202 202 SER H H 202 7.570 7.875 -0.305 1 1 1798 . 6 1 1 A 202 202 SER HA H 202 4.650 4.527 0.123 1 1 1801 . 6 1 1 A 202 202 SER C C 202 174.400 174.398 0.002 1 1 1802 . 6 1 1 A 202 202 SER CA C 202 56.400 58.216 -1.816 1 1 1803 . 6 1 1 A 202 202 SER CB C 202 65.100 64.989 0.111 1 1 1804 . 6 1 1 A 202 202 SER N N 202 111.900 112.382 -0.482 1 1 1805 . 6 1 1 A 203 203 GLU H H 203 8.790 9.103 -0.313 1 1 1806 . 6 1 1 A 203 203 GLU HA H 203 4.370 5.259 -0.889 1 1 1809 . 6 1 1 A 203 203 GLU C C 203 176.100 174.850 1.250 1 1 1810 . 6 1 1 A 203 203 GLU CA C 203 56.200 55.029 1.171 1 1 1811 . 6 1 1 A 203 203 GLU CB C 203 29.500 32.056 -2.556 1 1 1812 . 6 1 1 A 203 203 GLU N N 203 122.800 119.674 3.126 1 1 1813 . 6 1 1 A 204 204 GLU H H 204 8.030 9.009 -0.979 1 1 1814 . 6 1 1 A 204 204 GLU HA H 204 4.110 4.651 -0.541 1 1 1817 . 6 1 1 A 204 204 GLU C C 204 176.300 175.347 0.953 1 1 1818 . 6 1 1 A 204 204 GLU CA C 204 57.300 56.276 1.024 1 1 1819 . 6 1 1 A 204 204 GLU CB C 204 31.100 30.997 0.103 1 1 1820 . 6 1 1 A 204 204 GLU N N 204 120.700 122.347 -1.647 1 1 1821 . 6 1 1 A 205 205 LEU H H 205 8.690 8.206 0.484 1 1 1822 . 6 1 1 A 205 205 LEU HA H 205 4.580 5.029 -0.449 1 1 1831 . 6 1 1 A 205 205 LEU C C 205 176.300 177.052 -0.752 1 1 1832 . 6 1 1 A 205 205 LEU CA C 205 53.100 53.398 -0.298 1 1 1833 . 6 1 1 A 205 205 LEU CB C 205 41.100 45.528 -4.428 1 1 1834 . 6 1 1 A 205 205 LEU N N 205 125.500 122.201 3.299 1 1 1835 . 6 1 1 A 206 206 THR H H 206 6.800 8.893 -2.093 1 1 1836 . 6 1 1 A 206 206 THR HA H 206 4.370 3.852 0.518 1 1 1841 . 6 1 1 A 206 206 THR C C 206 175.200 175.840 -0.640 1 1 1842 . 6 1 1 A 206 206 THR CA C 206 59.400 66.085 -6.685 1 1 1843 . 6 1 1 A 206 206 THR CB C 206 70.400 69.280 1.120 1 1 1844 . 6 1 1 A 206 206 THR N N 206 108.200 120.590 -12.390 1 1 1845 . 6 1 1 A 207 207 ALA H H 207 9.320 8.145 1.175 1 1 1846 . 6 1 1 A 207 207 ALA HA H 207 4.010 3.696 0.314 1 1 1850 . 6 1 1 A 207 207 ALA C C 207 180.800 179.730 1.070 1 1 1851 . 6 1 1 A 207 207 ALA CA C 207 56.000 55.165 0.835 1 1 1852 . 6 1 1 A 207 207 ALA CB C 207 18.200 17.684 0.516 1 1 1853 . 6 1 1 A 207 207 ALA N N 207 125.300 121.784 3.516 1 1 1854 . 6 1 1 A 208 208 GLU H H 208 9.390 8.186 1.204 1 1 1855 . 6 1 1 A 208 208 GLU HA H 208 4.050 4.276 -0.226 1 1 1859 . 6 1 1 A 208 208 GLU C C 208 179.100 178.636 0.464 1 1 1860 . 6 1 1 A 208 208 GLU CA C 208 60.200 59.287 0.913 1 1 1861 . 6 1 1 A 208 208 GLU CB C 208 29.100 29.167 -0.067 1 1 1862 . 6 1 1 A 208 208 GLU N N 208 118.500 118.676 -0.176 1 1 1863 . 6 1 1 A 209 209 ARG H H 209 7.700 9.022 -1.322 1 1 1864 . 6 1 1 A 209 209 ARG HA H 209 4.230 4.160 0.070 1 1 1867 . 6 1 1 A 209 209 ARG C C 209 180.000 178.762 1.238 1 1 1868 . 6 1 1 A 209 209 ARG CA C 209 57.900 59.123 -1.223 1 1 1869 . 6 1 1 A 209 209 ARG CB C 209 30.100 29.892 0.208 1 1 1870 . 6 1 1 A 209 209 ARG N N 209 119.700 120.154 -0.454 1 1 1871 . 6 1 1 A 210 210 ILE H H 210 8.540 7.530 1.010 1 1 1872 . 6 1 1 A 210 210 ILE HA H 210 3.950 3.893 0.057 1 1 1880 . 6 1 1 A 210 210 ILE C C 210 178.000 177.938 0.062 1 1 1881 . 6 1 1 A 210 210 ILE CA C 210 65.400 64.297 1.103 1 1 1882 . 6 1 1 A 210 210 ILE CB C 210 38.300 37.541 0.759 1 1 1883 . 6 1 1 A 210 210 ILE N N 210 122.000 118.870 3.130 1 1 1884 . 6 1 1 A 211 211 THR H H 211 8.620 8.708 -0.088 1 1 1885 . 6 1 1 A 211 211 THR HA H 211 4.040 3.944 0.096 1 1 1890 . 6 1 1 A 211 211 THR C C 211 175.300 176.571 -1.271 1 1 1891 . 6 1 1 A 211 211 THR CA C 211 67.800 65.751 2.049 1 1 1892 . 6 1 1 A 211 211 THR CB C 211 68.300 68.359 -0.059 1 1 1893 . 6 1 1 A 211 211 THR N N 211 117.100 113.554 3.546 1 1 1894 . 6 1 1 A 212 212 GLU H H 212 8.050 8.534 -0.484 1 1 1895 . 6 1 1 A 212 212 GLU HA H 212 4.280 3.936 0.344 1 1 1898 . 6 1 1 A 212 212 GLU C C 212 177.200 179.287 -2.087 1 1 1899 . 6 1 1 A 212 212 GLU CA C 212 59.700 59.270 0.430 1 1 1900 . 6 1 1 A 212 212 GLU CB C 212 30.300 29.452 0.848 1 1 1901 . 6 1 1 A 212 212 GLU N N 212 121.600 122.524 -0.924 1 1 1902 . 6 1 1 A 213 213 PHE H H 213 7.890 8.241 -0.351 1 1 1903 . 6 1 1 A 213 213 PHE HA H 213 4.620 4.269 0.351 1 1 1906 . 6 1 1 A 213 213 PHE C C 213 176.300 178.488 -2.188 1 1 1907 . 6 1 1 A 213 213 PHE CA C 213 59.300 60.584 -1.284 1 1 1908 . 6 1 1 A 213 213 PHE CB C 213 38.700 38.264 0.436 1 1 1909 . 6 1 1 A 213 213 PHE N N 213 119.700 119.275 0.425 1 1 1910 . 6 1 1 A 214 214 CYS H H 214 7.700 8.336 -0.636 1 1 1911 . 6 1 1 A 214 214 CYS HA H 214 3.260 3.998 -0.738 1 1 1914 . 6 1 1 A 214 214 CYS C C 214 177.000 177.460 -0.460 1 1 1915 . 6 1 1 A 214 214 CYS CA C 214 64.500 63.918 0.582 1 1 1916 . 6 1 1 A 214 214 CYS CB C 214 27.400 27.047 0.353 1 1 1917 . 6 1 1 A 214 214 CYS N N 214 116.000 117.420 -1.420 1 1 1918 . 6 1 1 A 215 215 HIS H H 215 8.640 8.110 0.530 1 1 1919 . 6 1 1 A 215 215 HIS HA H 215 4.500 4.008 0.492 1 1 1922 . 6 1 1 A 215 215 HIS C C 215 178.100 176.989 1.111 1 1 1923 . 6 1 1 A 215 215 HIS CA C 215 60.300 59.936 0.364 1 1 1924 . 6 1 1 A 215 215 HIS CB C 215 30.300 29.344 0.956 1 1 1925 . 6 1 1 A 215 215 HIS N N 215 118.100 120.094 -1.994 1 1 1926 . 6 1 1 A 216 216 ARG H H 216 8.730 8.035 0.695 1 1 1927 . 6 1 1 A 216 216 ARG HA H 216 3.920 3.660 0.260 1 1 1930 . 6 1 1 A 216 216 ARG C C 216 179.100 178.558 0.542 1 1 1931 . 6 1 1 A 216 216 ARG CA C 216 59.800 59.496 0.304 1 1 1932 . 6 1 1 A 216 216 ARG CB C 216 30.100 29.685 0.415 1 1 1933 . 6 1 1 A 216 216 ARG N N 216 118.700 118.072 0.628 1 1 1934 . 6 1 1 A 217 217 PHE H H 217 8.390 8.050 0.340 1 1 1935 . 6 1 1 A 217 217 PHE HA H 217 3.970 4.133 -0.163 1 1 1938 . 6 1 1 A 217 217 PHE C C 217 179.200 177.478 1.722 1 1 1939 . 6 1 1 A 217 217 PHE CA C 217 60.700 61.224 -0.524 1 1 1940 . 6 1 1 A 217 217 PHE CB C 217 37.800 39.270 -1.470 1 1 1941 . 6 1 1 A 217 217 PHE N N 217 120.600 120.580 0.020 1 1 1942 . 6 1 1 A 218 218 LEU H H 218 8.250 8.556 -0.306 1 1 1943 . 6 1 1 A 218 218 LEU HA H 218 3.500 4.134 -0.634 1 1 1953 . 6 1 1 A 218 218 LEU C C 218 178.800 178.037 0.763 1 1 1954 . 6 1 1 A 218 218 LEU CA C 218 57.400 57.042 0.358 1 1 1955 . 6 1 1 A 218 218 LEU CB C 218 41.300 41.285 0.015 1 1 1956 . 6 1 1 A 218 218 LEU N N 218 123.500 118.812 4.688 1 1 1957 . 6 1 1 A 219 219 GLU H H 219 7.770 7.633 0.137 1 1 1958 . 6 1 1 A 219 219 GLU HA H 219 4.200 4.385 -0.185 1 1 1963 . 6 1 1 A 219 219 GLU C C 219 176.800 176.745 0.055 1 1 1964 . 6 1 1 A 219 219 GLU CA C 219 56.200 56.198 0.002 1 1 1965 . 6 1 1 A 219 219 GLU CB C 219 30.600 30.258 0.342 1 1 1966 . 6 1 1 A 219 219 GLU N N 219 116.400 119.119 -2.719 1 1 1967 . 6 1 1 A 220 220 GLY H H 220 7.720 7.826 -0.106 1 1 1968 . 6 1 1 A 220 220 GLY HA2 H 220 3.890 3.932 -0.042 1 1 1969 . 6 1 1 A 220 220 GLY HA3 H 220 3.960 3.932 0.028 1 1 1970 . 6 1 1 A 220 220 GLY C C 220 176.300 174.805 1.495 1 1 1971 . 6 1 1 A 220 220 GLY CA C 220 46.300 46.443 -0.143 1 1 1972 . 6 1 1 A 220 220 GLY N N 220 108.600 109.242 -0.642 1 1 1973 . 6 1 1 A 221 221 LYS H H 221 8.000 7.234 0.766 1 1 1974 . 6 1 1 A 221 221 LYS HA H 221 4.320 4.288 0.032 1 1 1978 . 6 1 1 A 221 221 LYS C C 221 175.900 175.599 0.301 1 1 1979 . 6 1 1 A 221 221 LYS CA C 221 56.100 56.668 -0.568 1 1 1980 . 6 1 1 A 221 221 LYS CB C 221 33.700 33.989 -0.289 1 1 1981 . 6 1 1 A 221 221 LYS N N 221 116.600 119.833 -3.233 1 1 1982 . 6 1 1 A 222 222 ILE H H 222 7.910 8.082 -0.172 1 1 1983 . 6 1 1 A 222 222 ILE HA H 222 4.570 4.221 0.349 1 1 1992 . 6 1 1 A 222 222 ILE C C 222 175.400 176.519 -1.119 1 1 1993 . 6 1 1 A 222 222 ILE CA C 222 59.200 61.430 -2.230 1 1 1994 . 6 1 1 A 222 222 ILE CB C 222 38.800 39.090 -0.290 1 1 1995 . 6 1 1 A 222 222 ILE N N 222 118.900 122.608 -3.708 1 1 1996 . 6 1 1 A 223 223 LYS H H 223 8.760 8.621 0.139 1 1 1997 . 6 1 1 A 223 223 LYS HA H 223 4.570 4.395 0.175 1 1 2000 . 6 1 1 A 223 223 LYS CA C 223 54.300 54.730 -0.430 1 1 2001 . 6 1 1 A 223 223 LYS CB C 223 32.000 31.732 0.268 1 1 2002 . 6 1 1 A 223 223 LYS N N 223 127.700 126.845 0.855 1 1 2003 . 6 1 1 A 224 224 PRO C C 224 175.900 177.115 -1.215 1 1 2004 . 6 1 1 A 224 224 PRO CA C 224 63.000 65.928 -2.928 1 1 2005 . 6 1 1 A 224 224 PRO CB C 224 32.300 31.502 0.798 1 1 2006 . 6 1 1 A 225 225 HIS H H 225 8.770 7.843 0.927 1 1 2007 . 6 1 1 A 225 225 HIS C C 225 174.700 173.682 1.018 1 1 2008 . 6 1 1 A 225 225 HIS CA C 225 55.800 54.590 1.210 1 1 2009 . 6 1 1 A 225 225 HIS CB C 225 31.100 31.031 0.069 1 1 2010 . 6 1 1 A 225 225 HIS N N 225 121.800 114.640 7.160 1 1 2011 . 6 1 1 A 226 226 LEU H H 226 8.160 9.076 -0.916 1 1 2012 . 6 1 1 A 226 226 LEU C C 226 176.400 175.215 1.185 1 1 2013 . 6 1 1 A 226 226 LEU CA C 226 54.500 53.653 0.847 1 1 2014 . 6 1 1 A 226 226 LEU CB C 226 42.300 46.651 -4.351 1 1 2015 . 6 1 1 A 226 226 LEU N N 226 127.000 125.580 1.420 1 1 2016 . 6 1 1 A 227 227 MET H H 227 7.980 8.951 -0.971 1 1 2017 . 6 1 1 A 227 227 MET C C 227 175.100 174.810 0.290 1 1 2018 . 6 1 1 A 227 227 MET CA C 227 55.400 56.911 -1.511 1 1 2019 . 6 1 1 A 227 227 MET CB C 227 33.000 34.032 -1.032 1 1 2020 . 6 1 1 A 227 227 MET N N 227 120.800 122.661 -1.861 1 1 2025 . 6 2 1 A 2 2 PRO C C 2 176.900 175.075 1.825 1 1 2026 . 6 2 1 A 2 2 PRO CA C 2 63.300 62.932 0.368 1 1 2027 . 6 2 1 A 2 2 PRO CB C 2 32.200 29.726 2.474 1 1 2028 . 6 2 1 A 3 3 LEU H H 3 8.510 8.459 0.051 1 1 2029 . 6 2 1 A 3 3 LEU C C 3 177.700 176.835 0.865 1 1 2030 . 6 2 1 A 3 3 LEU CA C 3 55.300 53.599 1.701 1 1 2031 . 6 2 1 A 3 3 LEU CB C 3 42.100 45.663 -3.563 1 1 2032 . 6 2 1 A 3 3 LEU N N 3 121.400 122.611 -1.211 1 1 2033 . 6 2 1 A 4 4 GLY H H 4 8.190 8.702 -0.512 1 1 2034 . 6 2 1 A 4 4 GLY C C 4 172.900 174.169 -1.269 1 1 2035 . 6 2 1 A 4 4 GLY CA C 4 45.200 46.591 -1.391 1 1 2036 . 6 2 1 A 4 4 GLY N N 4 109.400 114.517 -5.117 1 1 2037 . 6 2 1 A 5 5 SER H H 5 7.830 7.787 0.043 1 1 2038 . 6 2 1 A 5 5 SER CA C 5 55.500 55.867 -0.367 1 1 2039 . 6 2 1 A 5 5 SER CB C 5 64.100 64.621 -0.521 1 1 2040 . 6 2 1 A 5 5 SER N N 5 115.400 114.883 0.517 1 1 2041 . 6 2 1 A 221 221 LYS C C 221 176.800 175.599 1.201 1 1 2042 . 6 2 1 A 221 221 LYS CA C 221 56.100 56.668 -0.568 1 1 2043 . 6 2 1 A 221 221 LYS CB C 221 32.500 33.989 -1.489 1 1 2044 . 6 2 1 A 222 222 ILE H H 222 7.630 8.082 -0.452 1 1 2045 . 6 2 1 A 222 222 ILE C C 222 175.800 176.519 -0.719 1 1 2046 . 6 2 1 A 222 222 ILE CA C 222 61.300 61.430 -0.130 1 1 2047 . 6 2 1 A 222 222 ILE CB C 222 38.500 39.090 -0.590 1 1 2048 . 6 2 1 A 222 222 ILE N N 222 118.900 122.608 -3.708 1 1 2049 . 6 2 1 A 223 223 LYS H H 223 8.080 8.621 -0.541 1 1 2050 . 6 2 1 A 223 223 LYS CA C 223 54.300 54.730 -0.430 1 1 2051 . 6 2 1 A 223 223 LYS CB C 223 32.400 31.732 0.668 1 1 2052 . 6 2 1 A 223 223 LYS N N 223 125.500 126.845 -1.345 1 1 2053 . 6 2 1 A 224 224 PRO C C 224 176.700 177.115 -0.415 1 1 2054 . 6 2 1 A 224 224 PRO CA C 224 63.400 65.928 -2.528 1 1 2055 . 6 2 1 A 224 224 PRO CB C 224 31.800 31.502 0.298 1 1 2056 . 6 2 1 A 225 225 HIS H H 225 8.330 7.843 0.487 1 1 2057 . 6 2 1 A 225 225 HIS C C 225 175.000 173.682 1.318 1 1 2058 . 6 2 1 A 225 225 HIS CA C 225 56.100 54.590 1.510 1 1 2059 . 6 2 1 A 225 225 HIS CB C 225 30.300 31.031 -0.731 1 1 2060 . 6 2 1 A 225 225 HIS N N 225 119.000 114.640 4.360 1 1 2061 . 6 2 1 A 226 226 LEU H H 226 8.030 9.076 -1.046 1 1 2062 . 6 2 1 A 226 226 LEU C C 226 176.800 175.215 1.585 1 1 2063 . 6 2 1 A 226 226 LEU CA C 226 55.000 53.653 1.347 1 1 2064 . 6 2 1 A 226 226 LEU CB C 226 42.300 46.651 -4.351 1 1 2065 . 6 2 1 A 226 226 LEU N N 226 123.200 125.580 -2.380 1 1 2066 . 6 2 1 A 227 227 MET H H 227 8.280 8.951 -0.671 1 1 2067 . 6 2 1 A 227 227 MET CA C 227 55.300 56.911 -1.611 1 1 2068 . 6 2 1 A 227 227 MET CB C 227 32.900 34.032 -1.132 1 1 1 . 7 1 1 A 2 2 PRO C C 2 176.900 175.241 1.659 1 1 2 . 7 1 1 A 2 2 PRO CA C 2 63.000 62.616 0.384 1 1 3 . 7 1 1 A 2 2 PRO CB C 2 32.100 33.190 -1.090 1 1 4 . 7 1 1 A 3 3 LEU H H 3 8.510 8.658 -0.148 1 1 5 . 7 1 1 A 3 3 LEU HA H 3 4.320 4.752 -0.432 1 1 10 . 7 1 1 A 3 3 LEU C C 3 177.900 175.520 2.380 1 1 11 . 7 1 1 A 3 3 LEU CA C 3 55.500 52.848 2.652 1 1 12 . 7 1 1 A 3 3 LEU CB C 3 42.000 44.052 -2.052 1 1 13 . 7 1 1 A 3 3 LEU N N 3 122.400 122.202 0.198 1 1 14 . 7 1 1 A 4 4 GLY H H 4 8.450 8.480 -0.030 1 1 15 . 7 1 1 A 4 4 GLY HA2 H 4 3.900 4.242 -0.342 1 1 16 . 7 1 1 A 4 4 GLY HA3 H 4 4.020 4.243 -0.223 1 1 17 . 7 1 1 A 4 4 GLY C C 4 173.800 173.274 0.526 1 1 18 . 7 1 1 A 4 4 GLY CA C 4 45.100 43.944 1.156 1 1 19 . 7 1 1 A 4 4 GLY N N 4 110.200 109.133 1.067 1 1 20 . 7 1 1 A 5 5 SER H H 5 8.040 8.501 -0.461 1 1 21 . 7 1 1 A 5 5 SER HA H 5 4.010 4.854 -0.844 1 1 23 . 7 1 1 A 5 5 SER CA C 5 56.300 56.512 -0.212 1 1 24 . 7 1 1 A 5 5 SER CB C 5 63.300 63.423 -0.123 1 1 25 . 7 1 1 A 5 5 SER N N 5 116.900 113.145 3.755 1 1 26 . 7 1 1 A 6 6 PRO HA H 6 4.450 4.521 -0.071 1 1 29 . 7 1 1 A 6 6 PRO C C 6 176.700 177.161 -0.461 1 1 30 . 7 1 1 A 6 6 PRO CA C 6 63.000 62.921 0.079 1 1 31 . 7 1 1 A 6 6 PRO CB C 6 32.000 32.620 -0.620 1 1 32 . 7 1 1 A 7 7 ALA H H 7 8.560 8.489 0.071 1 1 33 . 7 1 1 A 7 7 ALA HA H 7 4.100 4.033 0.067 1 1 37 . 7 1 1 A 7 7 ALA C C 7 176.600 176.990 -0.390 1 1 38 . 7 1 1 A 7 7 ALA CA C 7 53.400 53.891 -0.491 1 1 39 . 7 1 1 A 7 7 ALA CB C 7 19.600 18.741 0.859 1 1 40 . 7 1 1 A 7 7 ALA N N 7 123.600 123.454 0.146 1 1 41 . 7 1 1 A 8 8 ALA H H 8 7.410 7.425 -0.015 1 1 42 . 7 1 1 A 8 8 ALA HA H 8 4.680 5.634 -0.954 1 1 46 . 7 1 1 A 8 8 ALA C C 8 175.900 176.477 -0.577 1 1 47 . 7 1 1 A 8 8 ALA CA C 8 50.100 50.534 -0.434 1 1 48 . 7 1 1 A 8 8 ALA CB C 8 21.300 20.902 0.398 1 1 49 . 7 1 1 A 8 8 ALA N N 8 116.200 120.908 -4.708 1 1 50 . 7 1 1 A 9 9 THR H H 9 8.670 9.499 -0.829 1 1 51 . 7 1 1 A 9 9 THR HA H 9 4.330 5.110 -0.780 1 1 56 . 7 1 1 A 9 9 THR C C 9 174.400 173.913 0.487 1 1 57 . 7 1 1 A 9 9 THR CA C 9 62.600 61.699 0.901 1 1 58 . 7 1 1 A 9 9 THR CB C 9 70.100 70.252 -0.152 1 1 59 . 7 1 1 A 9 9 THR N N 9 119.900 117.244 2.656 1 1 60 . 7 1 1 A 10 10 THR H H 10 9.000 8.933 0.067 1 1 61 . 7 1 1 A 10 10 THR HA H 10 4.580 5.594 -1.014 1 1 66 . 7 1 1 A 10 10 THR C C 10 174.100 173.686 0.414 1 1 67 . 7 1 1 A 10 10 THR CA C 10 63.900 60.507 3.393 1 1 68 . 7 1 1 A 10 10 THR CB C 10 68.500 70.168 -1.668 1 1 69 . 7 1 1 A 10 10 THR N N 10 125.900 119.423 6.477 1 1 70 . 7 1 1 A 11 11 LEU H H 11 9.010 8.387 0.623 1 1 71 . 7 1 1 A 11 11 LEU HA H 11 4.970 4.866 0.104 1 1 77 . 7 1 1 A 11 11 LEU CA C 11 50.200 50.843 -0.643 1 1 78 . 7 1 1 A 11 11 LEU CB C 11 41.700 43.130 -1.430 1 1 79 . 7 1 1 A 11 11 LEU N N 11 127.200 127.358 -0.158 1 1 80 . 7 1 1 A 12 12 PRO HA H 12 4.520 4.450 0.070 1 1 83 . 7 1 1 A 12 12 PRO C C 12 175.300 175.589 -0.289 1 1 84 . 7 1 1 A 12 12 PRO CA C 12 63.900 63.784 0.116 1 1 85 . 7 1 1 A 12 12 PRO CB C 12 32.700 31.375 1.325 1 1 86 . 7 1 1 A 13 13 ASP H H 13 7.110 7.637 -0.527 1 1 87 . 7 1 1 A 13 13 ASP HA H 13 4.420 4.893 -0.473 1 1 90 . 7 1 1 A 13 13 ASP C C 13 175.400 175.862 -0.462 1 1 91 . 7 1 1 A 13 13 ASP CA C 13 52.300 53.247 -0.947 1 1 92 . 7 1 1 A 13 13 ASP CB C 13 42.000 44.087 -2.087 1 1 93 . 7 1 1 A 13 13 ASP N N 13 112.100 118.574 -6.474 1 1 94 . 7 1 1 A 14 14 GLY H H 14 9.120 9.226 -0.106 1 1 95 . 7 1 1 A 14 14 GLY HA2 H 14 3.610 3.792 -0.182 1 1 96 . 7 1 1 A 14 14 GLY HA3 H 14 4.010 3.795 0.215 1 1 97 . 7 1 1 A 14 14 GLY C C 14 175.100 175.919 -0.819 1 1 98 . 7 1 1 A 14 14 GLY CA C 14 47.400 47.365 0.035 1 1 99 . 7 1 1 A 14 14 GLY N N 14 106.600 111.258 -4.658 1 1 100 . 7 1 1 A 15 15 ALA H H 15 8.050 8.081 -0.031 1 1 101 . 7 1 1 A 15 15 ALA HA H 15 4.170 4.030 0.140 1 1 105 . 7 1 1 A 15 15 ALA C C 15 180.500 179.691 0.809 1 1 106 . 7 1 1 A 15 15 ALA CA C 15 54.800 54.712 0.088 1 1 107 . 7 1 1 A 15 15 ALA CB C 15 17.600 18.230 -0.630 1 1 108 . 7 1 1 A 15 15 ALA N N 15 125.100 124.723 0.377 1 1 109 . 7 1 1 A 16 16 ALA H H 16 8.260 7.945 0.315 1 1 110 . 7 1 1 A 16 16 ALA HA H 16 4.170 4.103 0.067 1 1 114 . 7 1 1 A 16 16 ALA C C 16 180.500 179.551 0.949 1 1 115 . 7 1 1 A 16 16 ALA CA C 16 54.500 54.834 -0.334 1 1 116 . 7 1 1 A 16 16 ALA CB C 16 18.600 18.428 0.172 1 1 117 . 7 1 1 A 16 16 ALA N N 16 121.600 119.432 2.168 1 1 118 . 7 1 1 A 17 17 ALA H H 17 7.600 7.925 -0.325 1 1 119 . 7 1 1 A 17 17 ALA HA H 17 3.990 3.916 0.074 1 1 123 . 7 1 1 A 17 17 ALA C C 17 177.200 179.163 -1.963 1 1 124 . 7 1 1 A 17 17 ALA CA C 17 55.400 55.328 0.072 1 1 125 . 7 1 1 A 17 17 ALA CB C 17 18.700 18.053 0.647 1 1 126 . 7 1 1 A 17 17 ALA N N 17 120.600 120.309 0.291 1 1 127 . 7 1 1 A 18 18 GLU H H 18 8.450 8.239 0.211 1 1 128 . 7 1 1 A 18 18 GLU HA H 18 3.790 4.040 -0.250 1 1 132 . 7 1 1 A 18 18 GLU C C 18 178.800 178.921 -0.121 1 1 133 . 7 1 1 A 18 18 GLU CA C 18 59.200 59.238 -0.038 1 1 134 . 7 1 1 A 18 18 GLU CB C 18 29.500 29.321 0.179 1 1 135 . 7 1 1 A 18 18 GLU N N 18 117.100 117.061 0.039 1 1 136 . 7 1 1 A 19 19 SER H H 19 7.920 7.683 0.237 1 1 137 . 7 1 1 A 19 19 SER HA H 19 4.150 4.125 0.025 1 1 139 . 7 1 1 A 19 19 SER C C 19 176.800 176.650 0.150 1 1 140 . 7 1 1 A 19 19 SER CA C 19 61.300 62.244 -0.944 1 1 141 . 7 1 1 A 19 19 SER CB C 19 62.400 62.984 -0.584 1 1 142 . 7 1 1 A 19 19 SER N N 19 112.800 117.525 -4.725 1 1 143 . 7 1 1 A 20 20 LEU H H 20 7.460 7.531 -0.071 1 1 144 . 7 1 1 A 20 20 LEU HA H 20 4.020 3.971 0.049 1 1 153 . 7 1 1 A 20 20 LEU C C 20 179.200 179.273 -0.073 1 1 154 . 7 1 1 A 20 20 LEU CA C 20 58.400 58.177 0.223 1 1 155 . 7 1 1 A 20 20 LEU CB C 20 41.600 41.381 0.219 1 1 156 . 7 1 1 A 20 20 LEU N N 20 123.000 120.124 2.876 1 1 157 . 7 1 1 A 21 21 VAL H H 21 7.980 7.974 0.006 1 1 158 . 7 1 1 A 21 21 VAL HA H 21 3.090 3.488 -0.398 1 1 166 . 7 1 1 A 21 21 VAL C C 21 177.600 178.000 -0.400 1 1 167 . 7 1 1 A 21 21 VAL CA C 21 66.800 66.724 0.076 1 1 168 . 7 1 1 A 21 21 VAL CB C 21 31.600 31.654 -0.054 1 1 169 . 7 1 1 A 21 21 VAL N N 21 119.500 120.619 -1.119 1 1 170 . 7 1 1 A 22 22 GLU H H 22 8.180 9.089 -0.909 1 1 171 . 7 1 1 A 22 22 GLU HA H 22 4.040 3.988 0.052 1 1 174 . 7 1 1 A 22 22 GLU C C 22 178.700 178.285 0.415 1 1 175 . 7 1 1 A 22 22 GLU CA C 22 58.000 59.459 -1.459 1 1 176 . 7 1 1 A 22 22 GLU CB C 22 29.500 29.273 0.227 1 1 177 . 7 1 1 A 22 22 GLU N N 22 114.800 119.627 -4.827 1 1 178 . 7 1 1 A 23 23 SER H H 23 7.570 7.669 -0.099 1 1 179 . 7 1 1 A 23 23 SER HA H 23 4.360 4.476 -0.116 1 1 182 . 7 1 1 A 23 23 SER C C 23 173.700 174.420 -0.720 1 1 183 . 7 1 1 A 23 23 SER CA C 23 59.800 59.281 0.519 1 1 184 . 7 1 1 A 23 23 SER CB C 23 64.000 63.272 0.728 1 1 185 . 7 1 1 A 23 23 SER N N 23 112.500 113.828 -1.328 1 1 186 . 7 1 1 A 24 24 SER H H 24 7.080 8.649 -1.569 1 1 187 . 7 1 1 A 24 24 SER HA H 24 4.800 4.649 0.151 1 1 190 . 7 1 1 A 24 24 SER C C 24 172.800 174.240 -1.440 1 1 191 . 7 1 1 A 24 24 SER CA C 24 57.200 57.026 0.174 1 1 192 . 7 1 1 A 24 24 SER CB C 24 65.400 65.511 -0.111 1 1 193 . 7 1 1 A 24 24 SER N N 24 115.400 115.216 0.184 1 1 194 . 7 1 1 A 25 25 GLU H H 25 8.700 9.047 -0.347 1 1 195 . 7 1 1 A 25 25 GLU HA H 25 3.970 4.048 -0.078 1 1 199 . 7 1 1 A 25 25 GLU C C 25 175.700 175.928 -0.228 1 1 200 . 7 1 1 A 25 25 GLU CA C 25 59.900 59.969 -0.069 1 1 201 . 7 1 1 A 25 25 GLU CB C 25 30.300 29.505 0.795 1 1 202 . 7 1 1 A 25 25 GLU N N 25 124.500 125.600 -1.100 1 1 203 . 7 1 1 A 26 26 VAL H H 26 7.320 8.073 -0.753 1 1 204 . 7 1 1 A 26 26 VAL HA H 26 5.000 4.818 0.182 1 1 212 . 7 1 1 A 26 26 VAL C C 26 174.300 174.528 -0.228 1 1 213 . 7 1 1 A 26 26 VAL CA C 26 60.500 60.423 0.077 1 1 214 . 7 1 1 A 26 26 VAL CB C 26 35.700 35.262 0.438 1 1 215 . 7 1 1 A 26 26 VAL N N 26 113.500 116.666 -3.166 1 1 216 . 7 1 1 A 27 27 ALA H H 27 9.130 8.667 0.463 1 1 217 . 7 1 1 A 27 27 ALA HA H 27 4.820 5.204 -0.384 1 1 221 . 7 1 1 A 27 27 ALA C C 27 175.000 175.541 -0.541 1 1 222 . 7 1 1 A 27 27 ALA CA C 27 51.200 50.753 0.447 1 1 223 . 7 1 1 A 27 27 ALA CB C 27 23.000 23.804 -0.804 1 1 224 . 7 1 1 A 27 27 ALA N N 27 127.200 127.658 -0.458 1 1 225 . 7 1 1 A 28 28 VAL H H 28 7.980 8.160 -0.180 1 1 226 . 7 1 1 A 28 28 VAL HA H 28 5.080 5.049 0.031 1 1 234 . 7 1 1 A 28 28 VAL C C 28 174.600 174.574 0.026 1 1 235 . 7 1 1 A 28 28 VAL CA C 28 60.800 60.974 -0.174 1 1 236 . 7 1 1 A 28 28 VAL CB C 28 34.300 34.215 0.085 1 1 237 . 7 1 1 A 28 28 VAL N N 28 120.100 119.488 0.612 1 1 238 . 7 1 1 A 29 29 ILE H H 29 9.080 9.570 -0.490 1 1 239 . 7 1 1 A 29 29 ILE HA H 29 4.780 5.464 -0.684 1 1 247 . 7 1 1 A 29 29 ILE C C 29 173.300 175.240 -1.940 1 1 248 . 7 1 1 A 29 29 ILE CA C 29 60.000 59.697 0.303 1 1 249 . 7 1 1 A 29 29 ILE CB C 29 40.300 41.182 -0.882 1 1 250 . 7 1 1 A 29 29 ILE N N 29 124.300 127.189 -2.889 1 1 251 . 7 1 1 A 30 30 GLY H H 30 8.610 9.675 -1.065 1 1 252 . 7 1 1 A 30 30 GLY HA2 H 30 1.910 4.530 -2.620 1 1 253 . 7 1 1 A 30 30 GLY HA3 H 30 3.960 4.666 -0.706 1 1 254 . 7 1 1 A 30 30 GLY C C 30 169.300 172.175 -2.875 1 1 255 . 7 1 1 A 30 30 GLY CA C 30 44.500 44.434 0.066 1 1 256 . 7 1 1 A 30 30 GLY N N 30 115.800 114.323 1.477 1 1 257 . 7 1 1 A 31 31 PHE H H 31 8.470 9.654 -1.184 1 1 258 . 7 1 1 A 31 31 PHE HA H 31 4.200 5.577 -1.377 1 1 261 . 7 1 1 A 31 31 PHE C C 31 172.800 175.173 -2.373 1 1 262 . 7 1 1 A 31 31 PHE CA C 31 55.000 56.681 -1.681 1 1 263 . 7 1 1 A 31 31 PHE CB C 31 36.500 39.607 -3.107 1 1 264 . 7 1 1 A 31 31 PHE N N 31 127.800 122.558 5.242 1 1 265 . 7 1 1 A 32 32 PHE H H 32 8.200 9.277 -1.077 1 1 266 . 7 1 1 A 32 32 PHE HA H 32 4.980 5.102 -0.122 1 1 269 . 7 1 1 A 32 32 PHE C C 32 174.400 175.931 -1.531 1 1 270 . 7 1 1 A 32 32 PHE CA C 32 55.700 56.239 -0.539 1 1 271 . 7 1 1 A 32 32 PHE CB C 32 42.900 42.346 0.554 1 1 272 . 7 1 1 A 32 32 PHE N N 32 116.900 121.355 -4.455 1 1 273 . 7 1 1 A 33 33 LYS H H 33 9.420 9.110 0.310 1 1 274 . 7 1 1 A 33 33 LYS HA H 33 4.020 4.529 -0.509 1 1 279 . 7 1 1 A 33 33 LYS C C 33 176.700 176.974 -0.274 1 1 280 . 7 1 1 A 33 33 LYS CA C 33 58.900 57.675 1.225 1 1 281 . 7 1 1 A 33 33 LYS CB C 33 31.900 33.495 -1.595 1 1 282 . 7 1 1 A 33 33 LYS N N 33 124.700 123.458 1.242 1 1 283 . 7 1 1 A 34 34 ASP H H 34 8.920 8.115 0.805 1 1 284 . 7 1 1 A 34 34 ASP HA H 34 5.020 4.922 0.098 1 1 287 . 7 1 1 A 34 34 ASP C C 34 177.800 176.058 1.742 1 1 288 . 7 1 1 A 34 34 ASP CA C 34 51.700 52.206 -0.506 1 1 289 . 7 1 1 A 34 34 ASP CB C 34 41.800 40.870 0.930 1 1 290 . 7 1 1 A 34 34 ASP N N 34 117.300 118.336 -1.036 1 1 291 . 7 1 1 A 35 35 VAL H H 35 8.560 8.391 0.169 1 1 292 . 7 1 1 A 35 35 VAL HA H 35 3.790 3.753 0.037 1 1 300 . 7 1 1 A 35 35 VAL C C 35 174.500 177.283 -2.783 1 1 301 . 7 1 1 A 35 35 VAL CA C 35 63.900 65.552 -1.652 1 1 302 . 7 1 1 A 35 35 VAL CB C 35 30.500 31.599 -1.099 1 1 303 . 7 1 1 A 35 35 VAL N N 35 120.700 123.488 -2.788 1 1 304 . 7 1 1 A 36 36 GLU H H 36 8.250 7.982 0.268 1 1 305 . 7 1 1 A 36 36 GLU HA H 36 4.390 4.280 0.110 1 1 309 . 7 1 1 A 36 36 GLU C C 36 176.600 176.972 -0.372 1 1 310 . 7 1 1 A 36 36 GLU CA C 36 54.800 57.755 -2.955 1 1 311 . 7 1 1 A 36 36 GLU CB C 36 29.200 29.828 -0.628 1 1 312 . 7 1 1 A 36 36 GLU N N 36 117.200 119.073 -1.873 1 1 313 . 7 1 1 A 37 37 SER H H 37 7.560 7.638 -0.078 1 1 314 . 7 1 1 A 37 37 SER HA H 37 4.300 4.354 -0.054 1 1 317 . 7 1 1 A 37 37 SER C C 37 174.000 174.894 -0.894 1 1 318 . 7 1 1 A 37 37 SER CA C 37 58.100 59.198 -1.098 1 1 319 . 7 1 1 A 37 37 SER CB C 37 65.400 64.058 1.342 1 1 320 . 7 1 1 A 37 37 SER N N 37 116.100 116.027 0.073 1 1 321 . 7 1 1 A 38 38 ASP H H 38 8.920 8.958 -0.038 1 1 322 . 7 1 1 A 38 38 ASP HA H 38 4.290 4.255 0.035 1 1 324 . 7 1 1 A 38 38 ASP C C 38 179.200 178.361 0.839 1 1 325 . 7 1 1 A 38 38 ASP CA C 38 58.100 57.514 0.586 1 1 326 . 7 1 1 A 38 38 ASP CB C 38 40.100 40.185 -0.085 1 1 327 . 7 1 1 A 38 38 ASP N N 38 121.400 125.758 -4.358 1 1 328 . 7 1 1 A 39 39 SER H H 39 8.500 8.038 0.462 1 1 329 . 7 1 1 A 39 39 SER HA H 39 4.050 4.173 -0.123 1 1 331 . 7 1 1 A 39 39 SER C C 39 174.500 177.355 -2.855 1 1 332 . 7 1 1 A 39 39 SER CA C 39 61.500 61.328 0.172 1 1 333 . 7 1 1 A 39 39 SER CB C 39 62.400 62.914 -0.514 1 1 334 . 7 1 1 A 39 39 SER N N 39 114.200 115.891 -1.691 1 1 335 . 7 1 1 A 40 40 ALA H H 40 6.970 8.034 -1.064 1 1 336 . 7 1 1 A 40 40 ALA HA H 40 2.380 3.213 -0.833 1 1 340 . 7 1 1 A 40 40 ALA C C 40 179.600 180.032 -0.432 1 1 341 . 7 1 1 A 40 40 ALA CA C 40 54.500 54.900 -0.400 1 1 342 . 7 1 1 A 40 40 ALA CB C 40 18.600 17.961 0.639 1 1 343 . 7 1 1 A 40 40 ALA N N 40 125.700 122.187 3.513 1 1 344 . 7 1 1 A 41 41 LYS H H 41 8.040 7.767 0.273 1 1 345 . 7 1 1 A 41 41 LYS HA H 41 3.830 3.889 -0.059 1 1 350 . 7 1 1 A 41 41 LYS C C 41 180.500 179.815 0.685 1 1 351 . 7 1 1 A 41 41 LYS CA C 41 60.000 59.514 0.486 1 1 352 . 7 1 1 A 41 41 LYS CB C 41 31.900 32.383 -0.483 1 1 353 . 7 1 1 A 41 41 LYS N N 41 115.800 117.201 -1.401 1 1 354 . 7 1 1 A 42 42 GLN H H 42 7.870 7.905 -0.035 1 1 355 . 7 1 1 A 42 42 GLN HA H 42 3.780 4.010 -0.230 1 1 359 . 7 1 1 A 42 42 GLN C C 42 177.800 178.733 -0.933 1 1 360 . 7 1 1 A 42 42 GLN CA C 42 58.600 58.999 -0.399 1 1 361 . 7 1 1 A 42 42 GLN CB C 42 28.600 28.294 0.306 1 1 362 . 7 1 1 A 42 42 GLN N N 42 119.100 118.900 0.200 1 1 363 . 7 1 1 A 43 43 PHE H H 43 7.710 8.197 -0.487 1 1 364 . 7 1 1 A 43 43 PHE HA H 43 3.850 4.076 -0.226 1 1 367 . 7 1 1 A 43 43 PHE C C 43 176.200 177.437 -1.237 1 1 368 . 7 1 1 A 43 43 PHE CA C 43 61.300 60.886 0.414 1 1 369 . 7 1 1 A 43 43 PHE CB C 43 39.000 39.305 -0.305 1 1 370 . 7 1 1 A 43 43 PHE N N 43 120.000 121.089 -1.089 1 1 371 . 7 1 1 A 44 44 LEU H H 44 8.360 7.922 0.438 1 1 372 . 7 1 1 A 44 44 LEU HA H 44 3.580 3.792 -0.212 1 1 378 . 7 1 1 A 44 44 LEU C C 44 179.400 178.816 0.584 1 1 379 . 7 1 1 A 44 44 LEU CA C 44 57.400 57.941 -0.541 1 1 380 . 7 1 1 A 44 44 LEU CB C 44 40.900 41.494 -0.594 1 1 381 . 7 1 1 A 44 44 LEU N N 44 119.500 120.410 -0.910 1 1 382 . 7 1 1 A 45 45 GLN H H 45 7.660 8.121 -0.461 1 1 383 . 7 1 1 A 45 45 GLN HA H 45 3.900 4.088 -0.188 1 1 388 . 7 1 1 A 45 45 GLN C C 45 179.300 178.405 0.895 1 1 389 . 7 1 1 A 45 45 GLN CA C 45 58.700 58.585 0.115 1 1 390 . 7 1 1 A 45 45 GLN CB C 45 28.700 28.218 0.482 1 1 391 . 7 1 1 A 45 45 GLN N N 45 117.700 118.180 -0.480 1 1 392 . 7 1 1 A 46 46 ALA H H 46 7.630 7.770 -0.140 1 1 393 . 7 1 1 A 46 46 ALA HA H 46 3.740 4.029 -0.289 1 1 397 . 7 1 1 A 46 46 ALA C C 46 177.100 179.192 -2.092 1 1 398 . 7 1 1 A 46 46 ALA CA C 46 55.300 54.740 0.560 1 1 399 . 7 1 1 A 46 46 ALA CB C 46 17.500 18.756 -1.256 1 1 400 . 7 1 1 A 46 46 ALA N N 46 123.700 122.466 1.234 1 1 401 . 7 1 1 A 47 47 ALA H H 47 7.330 7.789 -0.459 1 1 402 . 7 1 1 A 47 47 ALA HA H 47 1.790 2.533 -0.743 1 1 406 . 7 1 1 A 47 47 ALA C C 47 178.600 179.370 -0.770 1 1 407 . 7 1 1 A 47 47 ALA CA C 47 53.200 54.426 -1.226 1 1 408 . 7 1 1 A 47 47 ALA CB C 47 17.700 17.678 0.022 1 1 409 . 7 1 1 A 47 47 ALA N N 47 118.100 119.258 -1.158 1 1 410 . 7 1 1 A 48 48 GLU H H 48 7.020 7.379 -0.359 1 1 411 . 7 1 1 A 48 48 GLU HA H 48 3.840 3.978 -0.138 1 1 415 . 7 1 1 A 48 48 GLU C C 48 177.100 178.593 -1.493 1 1 416 . 7 1 1 A 48 48 GLU CA C 48 57.300 58.953 -1.653 1 1 417 . 7 1 1 A 48 48 GLU CB C 48 29.900 29.287 0.613 1 1 418 . 7 1 1 A 48 48 GLU N N 48 112.900 118.296 -5.396 1 1 419 . 7 1 1 A 49 49 ALA H H 49 7.250 7.776 -0.526 1 1 420 . 7 1 1 A 49 49 ALA HA H 49 4.250 4.075 0.175 1 1 424 . 7 1 1 A 49 49 ALA C C 49 176.900 177.392 -0.492 1 1 425 . 7 1 1 A 49 49 ALA CA C 49 52.600 54.239 -1.639 1 1 426 . 7 1 1 A 49 49 ALA CB C 49 20.100 18.483 1.617 1 1 427 . 7 1 1 A 49 49 ALA N N 49 119.800 121.004 -1.204 1 1 428 . 7 1 1 A 50 50 ILE H H 50 7.030 6.854 0.176 1 1 429 . 7 1 1 A 50 50 ILE HA H 50 4.370 4.469 -0.099 1 1 439 . 7 1 1 A 50 50 ILE C C 50 174.300 175.750 -1.450 1 1 440 . 7 1 1 A 50 50 ILE CA C 50 59.700 59.576 0.124 1 1 441 . 7 1 1 A 50 50 ILE CB C 50 39.400 39.799 -0.399 1 1 442 . 7 1 1 A 50 50 ILE N N 50 119.300 113.654 5.646 1 1 443 . 7 1 1 A 51 51 ASP H H 51 8.390 9.022 -0.632 1 1 444 . 7 1 1 A 51 51 ASP HA H 51 4.830 4.909 -0.079 1 1 446 . 7 1 1 A 51 51 ASP C C 51 177.500 176.384 1.116 1 1 447 . 7 1 1 A 51 51 ASP CA C 51 54.300 54.330 -0.030 1 1 448 . 7 1 1 A 51 51 ASP CB C 51 42.200 40.729 1.471 1 1 449 . 7 1 1 A 51 51 ASP N N 51 123.200 124.205 -1.005 1 1 450 . 7 1 1 A 52 52 ASP H H 52 8.530 8.044 0.486 1 1 451 . 7 1 1 A 52 52 ASP HA H 52 4.570 4.477 0.093 1 1 454 . 7 1 1 A 52 52 ASP C C 52 175.000 176.352 -1.352 1 1 455 . 7 1 1 A 52 52 ASP CA C 52 54.600 56.523 -1.923 1 1 456 . 7 1 1 A 52 52 ASP CB C 52 40.200 41.500 -1.300 1 1 457 . 7 1 1 A 52 52 ASP N N 52 116.000 119.388 -3.388 1 1 458 . 7 1 1 A 53 53 ILE H H 53 7.150 7.861 -0.711 1 1 459 . 7 1 1 A 53 53 ILE HA H 53 4.570 4.679 -0.109 1 1 469 . 7 1 1 A 53 53 ILE CA C 53 57.700 57.585 0.115 1 1 470 . 7 1 1 A 53 53 ILE CB C 53 42.000 40.709 1.291 1 1 471 . 7 1 1 A 53 53 ILE N N 53 119.300 118.079 1.221 1 1 472 . 7 1 1 A 54 54 PRO C C 54 175.100 176.175 -1.075 1 1 473 . 7 1 1 A 54 54 PRO CA C 54 62.700 63.474 -0.774 1 1 474 . 7 1 1 A 54 54 PRO CB C 54 32.500 32.093 0.407 1 1 475 . 7 1 1 A 55 55 PHE H H 55 8.780 8.344 0.436 1 1 476 . 7 1 1 A 55 55 PHE HA H 55 5.840 5.628 0.212 1 1 479 . 7 1 1 A 55 55 PHE C C 55 176.900 175.236 1.664 1 1 480 . 7 1 1 A 55 55 PHE CA C 55 55.600 56.244 -0.644 1 1 481 . 7 1 1 A 55 55 PHE CB C 55 42.000 41.731 0.269 1 1 482 . 7 1 1 A 55 55 PHE N N 55 119.900 121.390 -1.490 1 1 483 . 7 1 1 A 56 56 GLY H H 56 9.510 9.501 0.009 1 1 484 . 7 1 1 A 56 56 GLY HA2 H 56 3.350 4.288 -0.938 1 1 485 . 7 1 1 A 56 56 GLY HA3 H 56 5.620 4.322 1.298 1 1 486 . 7 1 1 A 56 56 GLY C C 56 170.800 172.710 -1.910 1 1 487 . 7 1 1 A 56 56 GLY CA C 56 43.400 43.865 -0.465 1 1 488 . 7 1 1 A 56 56 GLY N N 56 109.000 109.000 0.000 1 1 489 . 7 1 1 A 57 57 ILE H H 57 8.930 8.533 0.397 1 1 490 . 7 1 1 A 57 57 ILE HA H 57 5.570 5.750 -0.180 1 1 499 . 7 1 1 A 57 57 ILE C C 57 172.000 174.933 -2.933 1 1 500 . 7 1 1 A 57 57 ILE CA C 57 58.400 59.443 -1.043 1 1 501 . 7 1 1 A 57 57 ILE CB C 57 42.900 42.355 0.545 1 1 502 . 7 1 1 A 57 57 ILE N N 57 120.800 120.658 0.142 1 1 503 . 7 1 1 A 58 58 THR H H 58 8.660 9.155 -0.495 1 1 504 . 7 1 1 A 58 58 THR HA H 58 4.960 5.070 -0.110 1 1 509 . 7 1 1 A 58 58 THR C C 58 170.000 174.197 -4.197 1 1 510 . 7 1 1 A 58 58 THR CA C 58 60.100 60.212 -0.112 1 1 511 . 7 1 1 A 58 58 THR CB C 58 72.100 70.689 1.411 1 1 512 . 7 1 1 A 58 58 THR N N 58 121.200 116.009 5.191 1 1 513 . 7 1 1 A 59 59 SER H H 59 8.710 8.778 -0.068 1 1 514 . 7 1 1 A 59 59 SER HA H 59 5.200 5.006 0.194 1 1 517 . 7 1 1 A 59 59 SER C C 59 173.900 174.573 -0.673 1 1 518 . 7 1 1 A 59 59 SER CA C 59 56.700 59.114 -2.414 1 1 519 . 7 1 1 A 59 59 SER CB C 59 65.700 65.511 0.189 1 1 520 . 7 1 1 A 59 59 SER N N 59 119.900 117.333 2.567 1 1 521 . 7 1 1 A 60 60 ASN H H 60 8.030 7.882 0.148 1 1 522 . 7 1 1 A 60 60 ASN HA H 60 4.790 4.702 0.088 1 1 524 . 7 1 1 A 60 60 ASN CA C 60 53.200 53.865 -0.665 1 1 525 . 7 1 1 A 60 60 ASN CB C 60 39.500 40.659 -1.159 1 1 526 . 7 1 1 A 60 60 ASN N N 60 122.200 119.799 2.401 1 1 528 . 7 1 1 A 61 61 SER C C 61 175.900 176.670 -0.770 1 1 529 . 7 1 1 A 61 61 SER CA C 61 62.500 61.878 0.622 1 1 530 . 7 1 1 A 61 61 SER CB C 61 62.500 63.121 -0.621 1 1 531 . 7 1 1 A 62 62 ASP H H 62 8.630 7.878 0.752 1 1 532 . 7 1 1 A 62 62 ASP HA H 62 4.530 4.439 0.091 1 1 535 . 7 1 1 A 62 62 ASP C C 62 179.000 178.850 0.150 1 1 536 . 7 1 1 A 62 62 ASP CA C 62 57.400 57.483 -0.083 1 1 537 . 7 1 1 A 62 62 ASP CB C 62 40.000 40.650 -0.650 1 1 538 . 7 1 1 A 62 62 ASP N N 62 122.200 122.541 -0.341 1 1 539 . 7 1 1 A 63 63 VAL H H 63 8.030 7.505 0.525 1 1 540 . 7 1 1 A 63 63 VAL HA H 63 3.750 3.693 0.057 1 1 548 . 7 1 1 A 63 63 VAL C C 63 177.900 178.321 -0.421 1 1 549 . 7 1 1 A 63 63 VAL CA C 63 65.800 66.524 -0.724 1 1 550 . 7 1 1 A 63 63 VAL CB C 63 30.700 31.693 -0.993 1 1 551 . 7 1 1 A 63 63 VAL N N 63 122.400 120.700 1.700 1 1 552 . 7 1 1 A 64 64 PHE H H 64 7.980 8.136 -0.156 1 1 553 . 7 1 1 A 64 64 PHE HA H 64 4.200 4.709 -0.509 1 1 556 . 7 1 1 A 64 64 PHE C C 64 178.800 178.536 0.264 1 1 557 . 7 1 1 A 64 64 PHE CA C 64 61.700 60.437 1.263 1 1 558 . 7 1 1 A 64 64 PHE CB C 64 37.500 38.661 -1.161 1 1 559 . 7 1 1 A 64 64 PHE N N 64 120.100 119.544 0.556 1 1 560 . 7 1 1 A 65 65 SER H H 65 8.090 8.151 -0.061 1 1 561 . 7 1 1 A 65 65 SER HA H 65 4.210 4.331 -0.121 1 1 563 . 7 1 1 A 65 65 SER C C 65 177.800 176.015 1.785 1 1 564 . 7 1 1 A 65 65 SER CA C 65 61.600 61.740 -0.140 1 1 565 . 7 1 1 A 65 65 SER CB C 65 62.300 62.964 -0.664 1 1 566 . 7 1 1 A 65 65 SER N N 65 112.100 115.493 -3.393 1 1 567 . 7 1 1 A 66 66 LYS H H 66 7.650 7.927 -0.277 1 1 568 . 7 1 1 A 66 66 LYS HA H 66 3.870 4.095 -0.225 1 1 572 . 7 1 1 A 66 66 LYS C C 66 176.700 177.911 -1.211 1 1 573 . 7 1 1 A 66 66 LYS CA C 66 58.900 59.226 -0.326 1 1 574 . 7 1 1 A 66 66 LYS CB C 66 32.700 32.197 0.503 1 1 575 . 7 1 1 A 66 66 LYS N N 66 124.100 122.466 1.634 1 1 576 . 7 1 1 A 67 67 TYR H H 67 7.040 7.685 -0.645 1 1 577 . 7 1 1 A 67 67 TYR HA H 67 4.640 4.623 0.017 1 1 580 . 7 1 1 A 67 67 TYR C C 67 173.600 174.745 -1.145 1 1 581 . 7 1 1 A 67 67 TYR CA C 67 58.400 57.818 0.582 1 1 582 . 7 1 1 A 67 67 TYR CB C 67 37.700 39.350 -1.650 1 1 583 . 7 1 1 A 67 67 TYR N N 67 113.800 114.747 -0.947 1 1 584 . 7 1 1 A 68 68 GLN H H 68 7.850 7.938 -0.088 1 1 585 . 7 1 1 A 68 68 GLN HA H 68 3.830 3.884 -0.054 1 1 588 . 7 1 1 A 68 68 GLN C C 68 174.700 174.151 0.549 1 1 589 . 7 1 1 A 68 68 GLN CA C 68 57.400 57.026 0.374 1 1 590 . 7 1 1 A 68 68 GLN CB C 68 25.000 26.613 -1.613 1 1 591 . 7 1 1 A 68 68 GLN N N 68 113.700 117.428 -3.728 1 1 592 . 7 1 1 A 69 69 LEU H H 69 8.070 8.645 -0.575 1 1 593 . 7 1 1 A 69 69 LEU HA H 69 4.530 4.771 -0.241 1 1 602 . 7 1 1 A 69 69 LEU C C 69 176.800 176.380 0.420 1 1 603 . 7 1 1 A 69 69 LEU CA C 69 54.900 53.612 1.288 1 1 604 . 7 1 1 A 69 69 LEU CB C 69 43.200 44.596 -1.396 1 1 605 . 7 1 1 A 69 69 LEU N N 69 120.800 119.501 1.299 1 1 606 . 7 1 1 A 70 70 ASP H H 70 8.580 8.850 -0.270 1 1 607 . 7 1 1 A 70 70 ASP HA H 70 4.650 4.940 -0.290 1 1 610 . 7 1 1 A 70 70 ASP C C 70 174.800 174.969 -0.169 1 1 611 . 7 1 1 A 70 70 ASP CA C 70 53.200 53.430 -0.230 1 1 612 . 7 1 1 A 70 70 ASP CB C 70 41.600 41.735 -0.135 1 1 613 . 7 1 1 A 70 70 ASP N N 70 120.400 118.536 1.864 1 1 614 . 7 1 1 A 71 71 LYS H H 71 7.720 7.770 -0.050 1 1 615 . 7 1 1 A 71 71 LYS HA H 71 4.550 4.661 -0.111 1 1 619 . 7 1 1 A 71 71 LYS C C 71 173.100 175.166 -2.066 1 1 620 . 7 1 1 A 71 71 LYS CA C 71 54.300 54.763 -0.463 1 1 621 . 7 1 1 A 71 71 LYS CB C 71 34.100 35.475 -1.375 1 1 622 . 7 1 1 A 71 71 LYS N N 71 117.300 116.497 0.803 1 1 623 . 7 1 1 A 72 72 ASP H H 72 7.780 8.733 -0.953 1 1 624 . 7 1 1 A 72 72 ASP HA H 72 4.650 4.831 -0.181 1 1 627 . 7 1 1 A 72 72 ASP C C 72 177.600 175.783 1.817 1 1 628 . 7 1 1 A 72 72 ASP CA C 72 54.500 54.114 0.386 1 1 629 . 7 1 1 A 72 72 ASP CB C 72 41.500 41.657 -0.157 1 1 630 . 7 1 1 A 72 72 ASP N N 72 116.900 120.383 -3.483 1 1 631 . 7 1 1 A 73 73 GLY H H 73 8.660 8.504 0.156 1 1 632 . 7 1 1 A 73 73 GLY HA2 H 73 3.890 4.018 -0.128 1 1 633 . 7 1 1 A 73 73 GLY C C 73 169.700 172.227 -2.527 1 1 634 . 7 1 1 A 73 73 GLY CA C 73 45.500 44.852 0.648 1 1 635 . 7 1 1 A 73 73 GLY N N 73 107.400 106.928 0.472 1 1 636 . 7 1 1 A 74 74 VAL H H 74 8.490 8.127 0.363 1 1 637 . 7 1 1 A 74 74 VAL HA H 74 4.840 5.105 -0.265 1 1 642 . 7 1 1 A 74 74 VAL C C 74 173.500 174.947 -1.447 1 1 643 . 7 1 1 A 74 74 VAL CA C 74 61.300 60.738 0.562 1 1 644 . 7 1 1 A 74 74 VAL CB C 74 35.500 33.790 1.710 1 1 645 . 7 1 1 A 74 74 VAL N N 74 117.900 121.470 -3.570 1 1 646 . 7 1 1 A 75 75 VAL H H 75 8.930 9.687 -0.757 1 1 647 . 7 1 1 A 75 75 VAL HA H 75 4.580 5.211 -0.631 1 1 655 . 7 1 1 A 75 75 VAL C C 75 172.700 173.454 -0.754 1 1 656 . 7 1 1 A 75 75 VAL CA C 75 61.100 60.281 0.819 1 1 657 . 7 1 1 A 75 75 VAL CB C 75 35.600 35.646 -0.046 1 1 658 . 7 1 1 A 75 75 VAL N N 75 126.900 126.564 0.336 1 1 659 . 7 1 1 A 76 76 LEU H H 76 8.690 8.643 0.047 1 1 660 . 7 1 1 A 76 76 LEU HA H 76 4.980 4.931 0.049 1 1 666 . 7 1 1 A 76 76 LEU C C 76 173.400 174.327 -0.927 1 1 667 . 7 1 1 A 76 76 LEU CA C 76 54.200 53.377 0.823 1 1 668 . 7 1 1 A 76 76 LEU CB C 76 46.000 44.497 1.503 1 1 669 . 7 1 1 A 76 76 LEU N N 76 128.000 129.057 -1.057 1 1 670 . 7 1 1 A 77 77 PHE H H 77 9.600 9.655 -0.055 1 1 671 . 7 1 1 A 77 77 PHE HA H 77 4.930 5.631 -0.701 1 1 674 . 7 1 1 A 77 77 PHE C C 77 173.800 175.045 -1.245 1 1 675 . 7 1 1 A 77 77 PHE CA C 77 56.800 56.830 -0.030 1 1 676 . 7 1 1 A 77 77 PHE CB C 77 42.100 40.725 1.375 1 1 677 . 7 1 1 A 77 77 PHE N N 77 126.500 125.938 0.562 1 1 678 . 7 1 1 A 78 78 LYS H H 78 8.410 8.195 0.215 1 1 679 . 7 1 1 A 78 78 LYS HA H 78 5.410 4.906 0.504 1 1 684 . 7 1 1 A 78 78 LYS C C 78 176.600 176.672 -0.072 1 1 685 . 7 1 1 A 78 78 LYS CA C 78 53.500 54.356 -0.856 1 1 686 . 7 1 1 A 78 78 LYS CB C 78 34.600 35.874 -1.274 1 1 687 . 7 1 1 A 78 78 LYS N N 78 115.800 121.995 -6.195 1 1 688 . 7 1 1 A 79 79 LYS H H 79 8.010 8.929 -0.919 1 1 689 . 7 1 1 A 79 79 LYS HA H 79 4.370 4.092 0.278 1 1 693 . 7 1 1 A 79 79 LYS C C 79 175.000 176.274 -1.274 1 1 694 . 7 1 1 A 79 79 LYS CA C 79 56.000 59.348 -3.348 1 1 695 . 7 1 1 A 79 79 LYS CB C 79 31.900 32.950 -1.050 1 1 696 . 7 1 1 A 79 79 LYS N N 79 121.400 124.255 -2.855 1 1 697 . 7 1 1 A 80 80 PHE H H 80 6.620 8.032 -1.412 1 1 698 . 7 1 1 A 80 80 PHE HA H 80 4.880 5.005 -0.125 1 1 700 . 7 1 1 A 80 80 PHE C C 80 174.000 174.819 -0.819 1 1 701 . 7 1 1 A 80 80 PHE CA C 80 54.400 55.537 -1.137 1 1 702 . 7 1 1 A 80 80 PHE CB C 80 40.400 41.543 -1.143 1 1 703 . 7 1 1 A 80 80 PHE N N 80 113.500 113.245 0.255 1 1 704 . 7 1 1 A 81 81 ASP H H 81 8.980 8.976 0.004 1 1 705 . 7 1 1 A 81 81 ASP HA H 81 4.270 4.331 -0.061 1 1 708 . 7 1 1 A 81 81 ASP C C 81 176.600 176.281 0.319 1 1 709 . 7 1 1 A 81 81 ASP CA C 81 56.000 55.694 0.306 1 1 710 . 7 1 1 A 81 81 ASP CB C 81 40.200 39.592 0.608 1 1 711 . 7 1 1 A 81 81 ASP N N 81 117.700 118.561 -0.861 1 1 712 . 7 1 1 A 82 82 GLU H H 82 10.320 8.711 1.609 1 1 713 . 7 1 1 A 82 82 GLU HA H 82 4.340 4.256 0.084 1 1 716 . 7 1 1 A 82 82 GLU C C 82 178.700 176.771 1.929 1 1 717 . 7 1 1 A 82 82 GLU CA C 82 58.200 57.842 0.358 1 1 718 . 7 1 1 A 82 82 GLU CB C 82 28.600 30.382 -1.782 1 1 719 . 7 1 1 A 82 82 GLU N N 82 123.900 125.127 -1.227 1 1 720 . 7 1 1 A 83 83 GLY H H 83 7.780 8.651 -0.871 1 1 721 . 7 1 1 A 83 83 GLY HA2 H 83 4.150 3.905 0.245 1 1 722 . 7 1 1 A 83 83 GLY HA3 H 83 4.290 3.905 0.385 1 1 723 . 7 1 1 A 83 83 GLY C C 83 174.400 173.345 1.055 1 1 724 . 7 1 1 A 83 83 GLY CA C 83 46.600 45.615 0.985 1 1 725 . 7 1 1 A 83 83 GLY N N 83 109.200 108.562 0.638 1 1 726 . 7 1 1 A 84 84 ARG H H 84 7.200 7.629 -0.429 1 1 727 . 7 1 1 A 84 84 ARG HA H 84 5.210 5.702 -0.492 1 1 731 . 7 1 1 A 84 84 ARG C C 84 174.000 174.136 -0.136 1 1 732 . 7 1 1 A 84 84 ARG CA C 84 55.000 54.291 0.709 1 1 733 . 7 1 1 A 84 84 ARG CB C 84 32.500 33.081 -0.581 1 1 734 . 7 1 1 A 84 84 ARG N N 84 121.000 116.178 4.822 1 1 735 . 7 1 1 A 85 85 ASN H H 85 9.270 8.942 0.328 1 1 736 . 7 1 1 A 85 85 ASN HA H 85 5.000 5.228 -0.228 1 1 739 . 7 1 1 A 85 85 ASN C C 85 172.900 173.626 -0.726 1 1 740 . 7 1 1 A 85 85 ASN CA C 85 53.800 51.874 1.926 1 1 741 . 7 1 1 A 85 85 ASN CB C 85 43.600 39.938 3.662 1 1 742 . 7 1 1 A 85 85 ASN N N 85 121.600 121.343 0.257 1 1 743 . 7 1 1 A 86 86 ASN H H 86 9.150 8.847 0.303 1 1 744 . 7 1 1 A 86 86 ASN HA H 86 5.000 5.345 -0.345 1 1 746 . 7 1 1 A 86 86 ASN C C 86 174.400 175.578 -1.178 1 1 747 . 7 1 1 A 86 86 ASN CA C 86 52.400 52.849 -0.449 1 1 748 . 7 1 1 A 86 86 ASN CB C 86 38.600 39.353 -0.753 1 1 749 . 7 1 1 A 86 86 ASN N N 86 123.200 123.434 -0.234 1 1 750 . 7 1 1 A 87 87 PHE H H 87 8.380 9.442 -1.062 1 1 751 . 7 1 1 A 87 87 PHE HA H 87 3.460 4.413 -0.953 1 1 754 . 7 1 1 A 87 87 PHE C C 87 174.600 176.928 -2.328 1 1 755 . 7 1 1 A 87 87 PHE CA C 87 59.000 59.320 -0.320 1 1 756 . 7 1 1 A 87 87 PHE CB C 87 39.000 39.490 -0.490 1 1 757 . 7 1 1 A 87 87 PHE N N 87 124.900 125.932 -1.032 1 1 758 . 7 1 1 A 88 88 GLU H H 88 7.450 8.893 -1.443 1 1 759 . 7 1 1 A 88 88 GLU HA H 88 4.270 3.991 0.279 1 1 763 . 7 1 1 A 88 88 GLU C C 88 173.900 177.571 -3.671 1 1 764 . 7 1 1 A 88 88 GLU CA C 88 54.800 59.292 -4.492 1 1 765 . 7 1 1 A 88 88 GLU CB C 88 31.700 29.653 2.047 1 1 766 . 7 1 1 A 88 88 GLU N N 88 128.600 125.750 2.850 1 1 767 . 7 1 1 A 89 89 GLY H H 89 7.050 7.394 -0.344 1 1 768 . 7 1 1 A 89 89 GLY HA2 H 89 3.700 3.897 -0.197 1 1 769 . 7 1 1 A 89 89 GLY HA3 H 89 3.840 3.919 -0.079 1 1 770 . 7 1 1 A 89 89 GLY C C 89 172.600 174.534 -1.934 1 1 771 . 7 1 1 A 89 89 GLY CA C 89 43.400 45.398 -1.998 1 1 772 . 7 1 1 A 89 89 GLY N N 89 108.600 105.085 3.515 1 1 773 . 7 1 1 A 90 90 GLU H H 90 8.450 7.866 0.584 1 1 774 . 7 1 1 A 90 90 GLU HA H 90 4.290 4.210 0.080 1 1 778 . 7 1 1 A 90 90 GLU C C 90 177.400 175.492 1.908 1 1 779 . 7 1 1 A 90 90 GLU CA C 90 56.200 56.801 -0.601 1 1 780 . 7 1 1 A 90 90 GLU CB C 90 29.900 30.454 -0.554 1 1 781 . 7 1 1 A 90 90 GLU N N 90 120.400 121.557 -1.157 1 1 782 . 7 1 1 A 91 91 VAL H H 91 9.140 8.481 0.659 1 1 783 . 7 1 1 A 91 91 VAL HA H 91 3.730 4.252 -0.522 1 1 791 . 7 1 1 A 91 91 VAL C C 91 173.600 175.083 -1.483 1 1 792 . 7 1 1 A 91 91 VAL CA C 91 64.400 61.158 3.242 1 1 793 . 7 1 1 A 91 91 VAL CB C 91 29.800 32.856 -3.056 1 1 794 . 7 1 1 A 91 91 VAL N N 91 126.500 122.586 3.914 1 1 795 . 7 1 1 A 92 92 THR H H 92 7.210 8.641 -1.431 1 1 796 . 7 1 1 A 92 92 THR HA H 92 4.630 4.770 -0.140 1 1 801 . 7 1 1 A 92 92 THR C C 92 174.100 174.736 -0.636 1 1 802 . 7 1 1 A 92 92 THR CA C 92 58.000 61.283 -3.283 1 1 803 . 7 1 1 A 92 92 THR CB C 92 72.400 71.462 0.938 1 1 804 . 7 1 1 A 92 92 THR N N 92 117.900 120.801 -2.901 1 1 805 . 7 1 1 A 93 93 LYS H H 93 9.360 9.069 0.291 1 1 806 . 7 1 1 A 93 93 LYS HA H 93 3.680 4.049 -0.369 1 1 810 . 7 1 1 A 93 93 LYS C C 93 177.100 178.471 -1.371 1 1 811 . 7 1 1 A 93 93 LYS CA C 93 60.700 60.316 0.384 1 1 812 . 7 1 1 A 93 93 LYS CB C 93 32.100 32.466 -0.366 1 1 813 . 7 1 1 A 93 93 LYS N N 93 124.100 125.752 -1.652 1 1 814 . 7 1 1 A 94 94 GLU H H 94 9.120 8.291 0.829 1 1 815 . 7 1 1 A 94 94 GLU HA H 94 3.900 4.106 -0.206 1 1 819 . 7 1 1 A 94 94 GLU C C 94 179.100 178.904 0.196 1 1 820 . 7 1 1 A 94 94 GLU CA C 94 60.700 59.501 1.199 1 1 821 . 7 1 1 A 94 94 GLU CB C 94 28.700 29.345 -0.645 1 1 822 . 7 1 1 A 94 94 GLU N N 94 116.600 118.230 -1.630 1 1 823 . 7 1 1 A 95 95 ASN H H 95 8.020 8.414 -0.394 1 1 824 . 7 1 1 A 95 95 ASN HA H 95 4.650 4.606 0.044 1 1 827 . 7 1 1 A 95 95 ASN C C 95 179.700 178.055 1.645 1 1 828 . 7 1 1 A 95 95 ASN CA C 95 55.300 56.267 -0.967 1 1 829 . 7 1 1 A 95 95 ASN CB C 95 37.500 38.990 -1.490 1 1 830 . 7 1 1 A 95 95 ASN N N 95 118.100 118.601 -0.501 1 1 831 . 7 1 1 A 96 96 LEU H H 96 8.550 8.314 0.236 1 1 832 . 7 1 1 A 96 96 LEU HA H 96 3.960 4.769 -0.809 1 1 842 . 7 1 1 A 96 96 LEU C C 96 178.400 179.486 -1.086 1 1 843 . 7 1 1 A 96 96 LEU CA C 96 57.500 58.468 -0.968 1 1 844 . 7 1 1 A 96 96 LEU CB C 96 42.200 41.970 0.230 1 1 845 . 7 1 1 A 96 96 LEU N N 96 121.600 120.093 1.507 1 1 846 . 7 1 1 A 97 97 LEU H H 97 8.500 8.466 0.034 1 1 847 . 7 1 1 A 97 97 LEU HA H 97 4.010 4.075 -0.065 1 1 853 . 7 1 1 A 97 97 LEU C C 97 179.200 179.192 0.008 1 1 854 . 7 1 1 A 97 97 LEU CA C 97 58.900 58.138 0.762 1 1 855 . 7 1 1 A 97 97 LEU CB C 97 40.900 41.220 -0.320 1 1 856 . 7 1 1 A 97 97 LEU N N 97 120.100 119.953 0.147 1 1 857 . 7 1 1 A 98 98 ASP H H 98 7.660 8.089 -0.429 1 1 858 . 7 1 1 A 98 98 ASP HA H 98 4.410 3.972 0.438 1 1 861 . 7 1 1 A 98 98 ASP C C 98 177.800 178.564 -0.764 1 1 862 . 7 1 1 A 98 98 ASP CA C 98 57.700 57.215 0.485 1 1 863 . 7 1 1 A 98 98 ASP CB C 98 41.100 40.675 0.425 1 1 864 . 7 1 1 A 98 98 ASP N N 98 118.700 119.921 -1.221 1 1 865 . 7 1 1 A 99 99 PHE H H 99 7.900 8.271 -0.371 1 1 866 . 7 1 1 A 99 99 PHE HA H 99 4.530 4.066 0.464 1 1 869 . 7 1 1 A 99 99 PHE C C 99 177.600 177.455 0.145 1 1 870 . 7 1 1 A 99 99 PHE CA C 99 60.400 61.312 -0.912 1 1 871 . 7 1 1 A 99 99 PHE CB C 99 39.800 38.922 0.878 1 1 872 . 7 1 1 A 99 99 PHE N N 99 120.800 121.621 -0.821 1 1 873 . 7 1 1 A 100 100 ILE H H 100 8.780 8.309 0.471 1 1 874 . 7 1 1 A 100 100 ILE HA H 100 3.120 3.606 -0.486 1 1 883 . 7 1 1 A 100 100 ILE C C 100 177.400 178.128 -0.728 1 1 884 . 7 1 1 A 100 100 ILE CA C 100 65.500 64.909 0.591 1 1 885 . 7 1 1 A 100 100 ILE CB C 100 38.500 37.771 0.729 1 1 886 . 7 1 1 A 100 100 ILE N N 100 121.400 120.626 0.774 1 1 887 . 7 1 1 A 101 101 LYS H H 101 8.210 8.192 0.018 1 1 888 . 7 1 1 A 101 101 LYS HA H 101 4.200 4.035 0.165 1 1 893 . 7 1 1 A 101 101 LYS C C 101 179.400 179.018 0.382 1 1 894 . 7 1 1 A 101 101 LYS CA C 101 59.300 59.023 0.277 1 1 895 . 7 1 1 A 101 101 LYS CB C 101 31.800 31.931 -0.131 1 1 896 . 7 1 1 A 101 101 LYS N N 101 117.900 120.990 -3.090 1 1 897 . 7 1 1 A 102 102 HIS H H 102 7.870 8.011 -0.141 1 1 898 . 7 1 1 A 102 102 HIS HA H 102 4.420 4.383 0.037 1 1 900 . 7 1 1 A 102 102 HIS C C 102 175.900 176.540 -0.640 1 1 901 . 7 1 1 A 102 102 HIS CA C 102 58.400 59.631 -1.231 1 1 902 . 7 1 1 A 102 102 HIS CB C 102 30.100 29.856 0.244 1 1 903 . 7 1 1 A 102 102 HIS N N 102 113.900 117.317 -3.417 1 1 904 . 7 1 1 A 103 103 ASN H H 103 7.270 7.595 -0.325 1 1 905 . 7 1 1 A 103 103 ASN HA H 103 4.840 4.457 0.383 1 1 908 . 7 1 1 A 103 103 ASN C C 103 174.500 177.338 -2.838 1 1 909 . 7 1 1 A 103 103 ASN CA C 103 54.400 53.851 0.549 1 1 910 . 7 1 1 A 103 103 ASN CB C 103 41.100 38.978 2.122 1 1 911 . 7 1 1 A 103 103 ASN N N 103 113.900 117.726 -3.826 1 1 912 . 7 1 1 A 104 104 GLN H H 104 7.650 8.550 -0.900 1 1 913 . 7 1 1 A 104 104 GLN HA H 104 4.250 4.265 -0.015 1 1 917 . 7 1 1 A 104 104 GLN C C 104 173.800 176.069 -2.269 1 1 918 . 7 1 1 A 104 104 GLN CA C 104 57.400 57.425 -0.025 1 1 919 . 7 1 1 A 104 104 GLN CB C 104 28.900 28.845 0.055 1 1 920 . 7 1 1 A 104 104 GLN N N 104 115.000 117.547 -2.547 1 1 921 . 7 1 1 A 105 105 LEU H H 105 7.500 7.435 0.065 1 1 922 . 7 1 1 A 105 105 LEU HA H 105 4.720 4.660 0.060 1 1 927 . 7 1 1 A 105 105 LEU CA C 105 51.800 52.671 -0.871 1 1 928 . 7 1 1 A 105 105 LEU CB C 105 42.100 43.465 -1.365 1 1 929 . 7 1 1 A 105 105 LEU N N 105 119.700 121.203 -1.503 1 1 930 . 7 1 1 A 106 106 PRO HA H 106 4.380 4.512 -0.132 1 1 931 . 7 1 1 A 106 106 PRO C C 106 175.600 177.259 -1.659 1 1 932 . 7 1 1 A 106 106 PRO CA C 106 61.700 62.335 -0.635 1 1 933 . 7 1 1 A 106 106 PRO CB C 106 31.800 32.976 -1.176 1 1 934 . 7 1 1 A 107 107 LEU H H 107 9.440 8.859 0.581 1 1 935 . 7 1 1 A 107 107 LEU HA H 107 3.980 4.157 -0.177 1 1 941 . 7 1 1 A 107 107 LEU C C 107 177.100 177.040 0.060 1 1 942 . 7 1 1 A 107 107 LEU CA C 107 57.800 57.865 -0.065 1 1 943 . 7 1 1 A 107 107 LEU CB C 107 42.700 42.404 0.296 1 1 944 . 7 1 1 A 107 107 LEU N N 107 123.400 119.582 3.818 1 1 945 . 7 1 1 A 108 108 VAL H H 108 7.730 8.132 -0.402 1 1 946 . 7 1 1 A 108 108 VAL HA H 108 5.010 5.400 -0.390 1 1 951 . 7 1 1 A 108 108 VAL C C 108 174.800 174.677 0.123 1 1 952 . 7 1 1 A 108 108 VAL CA C 108 59.400 60.902 -1.502 1 1 953 . 7 1 1 A 108 108 VAL CB C 108 34.400 35.572 -1.172 1 1 954 . 7 1 1 A 108 108 VAL N N 108 109.700 117.419 -7.719 1 1 955 . 7 1 1 A 109 109 ILE H H 109 8.700 9.026 -0.326 1 1 956 . 7 1 1 A 109 109 ILE HA H 109 4.210 4.961 -0.751 1 1 965 . 7 1 1 A 109 109 ILE C C 109 173.500 174.528 -1.028 1 1 966 . 7 1 1 A 109 109 ILE CA C 109 59.900 59.754 0.146 1 1 967 . 7 1 1 A 109 109 ILE CB C 109 41.600 42.023 -0.423 1 1 968 . 7 1 1 A 109 109 ILE N N 109 124.500 124.922 -0.422 1 1 969 . 7 1 1 A 110 110 GLU H H 110 8.410 8.452 -0.042 1 1 970 . 7 1 1 A 110 110 GLU HA H 110 3.430 3.843 -0.413 1 1 973 . 7 1 1 A 110 110 GLU C C 110 176.000 175.665 0.335 1 1 974 . 7 1 1 A 110 110 GLU CA C 110 54.700 55.951 -1.251 1 1 975 . 7 1 1 A 110 110 GLU CB C 110 29.800 29.206 0.594 1 1 976 . 7 1 1 A 110 110 GLU N N 110 128.200 125.994 2.206 1 1 977 . 7 1 1 A 111 111 PHE H H 111 8.680 8.713 -0.033 1 1 978 . 7 1 1 A 111 111 PHE HA H 111 3.850 4.501 -0.651 1 1 981 . 7 1 1 A 111 111 PHE C C 111 173.600 174.564 -0.964 1 1 982 . 7 1 1 A 111 111 PHE CA C 111 59.500 59.158 0.342 1 1 983 . 7 1 1 A 111 111 PHE CB C 111 40.200 39.167 1.033 1 1 984 . 7 1 1 A 111 111 PHE N N 111 128.800 124.505 4.295 1 1 985 . 7 1 1 A 112 112 THR H H 112 7.310 8.445 -1.135 1 1 986 . 7 1 1 A 112 112 THR HA H 112 4.500 4.938 -0.438 1 1 991 . 7 1 1 A 112 112 THR C C 112 173.700 174.148 -0.448 1 1 992 . 7 1 1 A 112 112 THR CA C 112 59.200 60.518 -1.318 1 1 993 . 7 1 1 A 112 112 THR CB C 112 73.500 70.302 3.198 1 1 994 . 7 1 1 A 112 112 THR N N 112 119.800 119.990 -0.190 1 1 995 . 7 1 1 A 113 113 GLU H H 113 8.930 9.019 -0.089 1 1 996 . 7 1 1 A 113 113 GLU HA H 113 3.890 4.034 -0.144 1 1 1000 . 7 1 1 A 113 113 GLU C C 113 178.100 178.530 -0.430 1 1 1001 . 7 1 1 A 113 113 GLU CA C 113 59.100 59.312 -0.212 1 1 1002 . 7 1 1 A 113 113 GLU CB C 113 29.200 28.851 0.349 1 1 1003 . 7 1 1 A 113 113 GLU N N 113 120.100 124.034 -3.934 1 1 1004 . 7 1 1 A 114 114 GLN H H 114 7.940 7.728 0.212 1 1 1005 . 7 1 1 A 114 114 GLN HA H 114 4.130 4.035 0.095 1 1 1008 . 7 1 1 A 114 114 GLN C C 114 177.800 178.893 -1.093 1 1 1009 . 7 1 1 A 114 114 GLN CA C 114 58.200 58.625 -0.425 1 1 1010 . 7 1 1 A 114 114 GLN CB C 114 28.600 28.445 0.155 1 1 1011 . 7 1 1 A 114 114 GLN N N 114 114.800 119.254 -4.454 1 1 1012 . 7 1 1 A 115 115 THR H H 115 7.500 7.786 -0.286 1 1 1013 . 7 1 1 A 115 115 THR HA H 115 4.180 3.728 0.452 1 1 1018 . 7 1 1 A 115 115 THR C C 115 175.800 176.100 -0.300 1 1 1019 . 7 1 1 A 115 115 THR CA C 115 61.900 66.369 -4.469 1 1 1020 . 7 1 1 A 115 115 THR CB C 115 69.400 68.355 1.045 1 1 1021 . 7 1 1 A 115 115 THR N N 115 109.000 117.629 -8.629 1 1 1022 . 7 1 1 A 116 116 ALA H H 116 7.770 7.920 -0.150 1 1 1023 . 7 1 1 A 116 116 ALA HA H 116 3.840 3.756 0.084 1 1 1027 . 7 1 1 A 116 116 ALA CA C 116 56.800 56.832 -0.032 1 1 1028 . 7 1 1 A 116 116 ALA CB C 116 16.100 16.723 -0.623 1 1 1029 . 7 1 1 A 116 116 ALA N N 116 125.500 122.739 2.761 1 1 1030 . 7 1 1 A 117 117 PRO HA H 117 4.370 3.829 0.541 1 1 1031 . 7 1 1 A 117 117 PRO C C 117 179.500 178.964 0.536 1 1 1032 . 7 1 1 A 117 117 PRO CA C 117 65.800 65.511 0.289 1 1 1033 . 7 1 1 A 117 117 PRO CB C 117 30.800 30.484 0.316 1 1 1034 . 7 1 1 A 118 118 LYS H H 118 7.260 7.826 -0.566 1 1 1035 . 7 1 1 A 118 118 LYS HA H 118 4.140 4.041 0.099 1 1 1039 . 7 1 1 A 118 118 LYS C C 118 178.300 178.909 -0.609 1 1 1040 . 7 1 1 A 118 118 LYS CA C 118 57.500 59.154 -1.654 1 1 1041 . 7 1 1 A 118 118 LYS CB C 118 32.200 31.888 0.312 1 1 1042 . 7 1 1 A 118 118 LYS N N 118 115.800 118.271 -2.471 1 1 1043 . 7 1 1 A 119 119 ILE H H 119 7.690 7.545 0.145 1 1 1044 . 7 1 1 A 119 119 ILE HA H 119 3.440 3.793 -0.353 1 1 1053 . 7 1 1 A 119 119 ILE C C 119 177.500 178.439 -0.939 1 1 1054 . 7 1 1 A 119 119 ILE CA C 119 64.400 64.250 0.150 1 1 1055 . 7 1 1 A 119 119 ILE CB C 119 38.700 37.533 1.167 1 1 1056 . 7 1 1 A 119 119 ILE N N 119 119.300 120.356 -1.056 1 1 1057 . 7 1 1 A 120 120 PHE H H 120 8.040 8.058 -0.018 1 1 1058 . 7 1 1 A 120 120 PHE HA H 120 4.310 4.251 0.059 1 1 1061 . 7 1 1 A 120 120 PHE C C 120 176.800 177.899 -1.099 1 1 1062 . 7 1 1 A 120 120 PHE CA C 120 58.900 59.885 -0.985 1 1 1063 . 7 1 1 A 120 120 PHE CB C 120 38.400 37.936 0.464 1 1 1064 . 7 1 1 A 120 120 PHE N N 120 115.800 119.532 -3.732 1 1 1065 . 7 1 1 A 121 121 GLY H H 121 7.660 7.674 -0.014 1 1 1066 . 7 1 1 A 121 121 GLY HA2 H 121 3.830 4.142 -0.312 1 1 1067 . 7 1 1 A 121 121 GLY HA3 H 121 4.350 4.154 0.196 1 1 1068 . 7 1 1 A 121 121 GLY C C 121 174.700 175.005 -0.305 1 1 1069 . 7 1 1 A 121 121 GLY CA C 121 45.300 44.750 0.550 1 1 1070 . 7 1 1 A 121 121 GLY N N 121 106.800 108.564 -1.764 1 1 1071 . 7 1 1 A 122 122 GLY H H 122 7.620 8.632 -1.012 1 1 1072 . 7 1 1 A 122 122 GLY HA2 H 122 4.000 4.067 -0.067 1 1 1073 . 7 1 1 A 122 122 GLY HA3 H 122 4.320 4.139 0.181 1 1 1074 . 7 1 1 A 122 122 GLY C C 122 173.800 174.646 -0.846 1 1 1075 . 7 1 1 A 122 122 GLY CA C 122 44.800 45.681 -0.881 1 1 1076 . 7 1 1 A 122 122 GLY N N 122 108.400 108.825 -0.425 1 1 1077 . 7 1 1 A 123 123 GLU H H 123 8.490 8.964 -0.474 1 1 1078 . 7 1 1 A 123 123 GLU HA H 123 4.160 4.072 0.088 1 1 1082 . 7 1 1 A 123 123 GLU C C 123 177.700 176.350 1.350 1 1 1083 . 7 1 1 A 123 123 GLU CA C 123 57.900 57.476 0.424 1 1 1084 . 7 1 1 A 123 123 GLU CB C 123 30.400 28.448 1.952 1 1 1085 . 7 1 1 A 123 123 GLU N N 123 117.700 116.715 0.985 1 1 1086 . 7 1 1 A 124 124 ILE H H 124 7.890 8.644 -0.754 1 1 1087 . 7 1 1 A 124 124 ILE HA H 124 4.090 3.911 0.179 1 1 1096 . 7 1 1 A 124 124 ILE C C 124 176.700 174.848 1.852 1 1 1097 . 7 1 1 A 124 124 ILE CA C 124 62.000 62.042 -0.042 1 1 1098 . 7 1 1 A 124 124 ILE CB C 124 37.500 35.562 1.938 1 1 1099 . 7 1 1 A 124 124 ILE N N 124 119.900 116.485 3.415 1 1 1100 . 7 1 1 A 125 125 LYS H H 125 8.600 7.931 0.669 1 1 1101 . 7 1 1 A 125 125 LYS HA H 125 4.590 4.902 -0.312 1 1 1104 . 7 1 1 A 125 125 LYS C C 125 174.400 174.120 0.280 1 1 1105 . 7 1 1 A 125 125 LYS CA C 125 55.600 54.496 1.104 1 1 1106 . 7 1 1 A 125 125 LYS CB C 125 33.000 35.724 -2.724 1 1 1107 . 7 1 1 A 125 125 LYS N N 125 125.500 124.948 0.552 1 1 1108 . 7 1 1 A 126 126 THR H H 126 6.860 8.688 -1.828 1 1 1109 . 7 1 1 A 126 126 THR HA H 126 4.940 4.820 0.120 1 1 1114 . 7 1 1 A 126 126 THR C C 126 172.000 173.394 -1.394 1 1 1115 . 7 1 1 A 126 126 THR CA C 126 62.100 60.155 1.945 1 1 1116 . 7 1 1 A 126 126 THR CB C 126 69.700 70.897 -1.197 1 1 1117 . 7 1 1 A 126 126 THR N N 126 116.200 116.004 0.196 1 1 1118 . 7 1 1 A 127 127 HIS H H 127 8.870 8.185 0.685 1 1 1119 . 7 1 1 A 127 127 HIS HA H 127 5.470 5.666 -0.196 1 1 1121 . 7 1 1 A 127 127 HIS C C 127 173.600 171.755 1.845 1 1 1122 . 7 1 1 A 127 127 HIS CA C 127 53.700 53.626 0.074 1 1 1123 . 7 1 1 A 127 127 HIS CB C 127 35.300 33.227 2.073 1 1 1124 . 7 1 1 A 127 127 HIS N N 127 125.900 122.971 2.929 1 1 1125 . 7 1 1 A 128 128 ILE H H 128 9.200 8.827 0.373 1 1 1126 . 7 1 1 A 128 128 ILE HA H 128 4.890 4.769 0.121 1 1 1134 . 7 1 1 A 128 128 ILE C C 128 171.100 173.915 -2.815 1 1 1135 . 7 1 1 A 128 128 ILE CA C 128 58.900 60.047 -1.147 1 1 1136 . 7 1 1 A 128 128 ILE CB C 128 40.200 40.716 -0.516 1 1 1137 . 7 1 1 A 128 128 ILE N N 128 122.600 123.641 -1.041 1 1 1138 . 7 1 1 A 129 129 LEU H H 129 9.070 9.504 -0.434 1 1 1139 . 7 1 1 A 129 129 LEU HA H 129 5.040 5.443 -0.403 1 1 1148 . 7 1 1 A 129 129 LEU C C 129 174.300 174.590 -0.290 1 1 1149 . 7 1 1 A 129 129 LEU CA C 129 53.400 53.484 -0.084 1 1 1150 . 7 1 1 A 129 129 LEU CB C 129 43.600 44.984 -1.384 1 1 1151 . 7 1 1 A 129 129 LEU N N 129 128.800 130.899 -2.099 1 1 1152 . 7 1 1 A 130 130 LEU H H 130 8.680 9.156 -0.476 1 1 1153 . 7 1 1 A 130 130 LEU HA H 130 4.640 5.375 -0.735 1 1 1162 . 7 1 1 A 130 130 LEU C C 130 174.400 175.069 -0.669 1 1 1163 . 7 1 1 A 130 130 LEU CA C 130 52.700 52.781 -0.081 1 1 1164 . 7 1 1 A 130 130 LEU CB C 130 41.600 46.483 -4.883 1 1 1165 . 7 1 1 A 130 130 LEU N N 130 123.200 128.347 -5.147 1 1 1166 . 7 1 1 A 131 131 PHE H H 131 9.100 8.893 0.207 1 1 1167 . 7 1 1 A 131 131 PHE HA H 131 4.630 4.833 -0.203 1 1 1170 . 7 1 1 A 131 131 PHE C C 131 173.600 174.586 -0.986 1 1 1171 . 7 1 1 A 131 131 PHE CA C 131 56.800 56.471 0.329 1 1 1172 . 7 1 1 A 131 131 PHE CB C 131 39.200 39.963 -0.763 1 1 1173 . 7 1 1 A 131 131 PHE N N 131 127.500 127.976 -0.476 1 1 1174 . 7 1 1 A 132 132 LEU H H 132 9.000 8.042 0.958 1 1 1175 . 7 1 1 A 132 132 LEU HA H 132 5.020 4.828 0.192 1 1 1183 . 7 1 1 A 132 132 LEU CA C 132 50.700 50.630 0.070 1 1 1184 . 7 1 1 A 132 132 LEU CB C 132 44.400 43.452 0.948 1 1 1185 . 7 1 1 A 132 132 LEU N N 132 127.100 122.586 4.514 1 1 1186 . 7 1 1 A 133 133 PRO HA H 133 4.770 4.670 0.100 1 1 1187 . 7 1 1 A 133 133 PRO C C 133 179.100 178.490 0.610 1 1 1188 . 7 1 1 A 133 133 PRO CA C 133 62.300 65.918 -3.618 1 1 1189 . 7 1 1 A 133 133 PRO CB C 133 31.600 31.196 0.404 1 1 1190 . 7 1 1 A 134 134 LYS H H 134 8.300 7.616 0.684 1 1 1191 . 7 1 1 A 134 134 LYS HA H 134 4.070 4.731 -0.661 1 1 1195 . 7 1 1 A 134 134 LYS C C 134 176.700 176.303 0.397 1 1 1196 . 7 1 1 A 134 134 LYS CA C 134 58.900 56.886 2.014 1 1 1197 . 7 1 1 A 134 134 LYS CB C 134 32.000 33.998 -1.998 1 1 1198 . 7 1 1 A 134 134 LYS N N 134 123.900 116.752 7.148 1 1 1199 . 7 1 1 A 135 135 SER H H 135 7.610 7.726 -0.116 1 1 1200 . 7 1 1 A 135 135 SER HA H 135 4.250 4.807 -0.557 1 1 1202 . 7 1 1 A 135 135 SER C C 135 175.200 172.347 2.853 1 1 1203 . 7 1 1 A 135 135 SER CA C 135 58.200 57.748 0.452 1 1 1204 . 7 1 1 A 135 135 SER CB C 135 63.300 63.666 -0.366 1 1 1205 . 7 1 1 A 135 135 SER N N 135 108.200 111.701 -3.501 1 1 1206 . 7 1 1 A 136 136 VAL H H 136 7.500 8.323 -0.823 1 1 1207 . 7 1 1 A 136 136 VAL HA H 136 4.210 4.590 -0.380 1 1 1215 . 7 1 1 A 136 136 VAL C C 136 175.100 175.352 -0.252 1 1 1216 . 7 1 1 A 136 136 VAL CA C 136 61.900 60.162 1.738 1 1 1217 . 7 1 1 A 136 136 VAL CB C 136 32.600 34.443 -1.843 1 1 1218 . 7 1 1 A 136 136 VAL N N 136 122.800 119.854 2.946 1 1 1219 . 7 1 1 A 137 137 SER H H 137 8.450 8.988 -0.538 1 1 1220 . 7 1 1 A 137 137 SER HA H 137 4.300 4.383 -0.083 1 1 1222 . 7 1 1 A 137 137 SER C C 137 175.200 174.749 0.451 1 1 1223 . 7 1 1 A 137 137 SER CA C 137 59.700 61.425 -1.725 1 1 1224 . 7 1 1 A 137 137 SER CB C 137 63.000 61.141 1.859 1 1 1225 . 7 1 1 A 137 137 SER N N 137 120.800 117.368 3.432 1 1 1226 . 7 1 1 A 138 138 ASP H H 138 8.980 8.503 0.477 1 1 1227 . 7 1 1 A 138 138 ASP HA H 138 4.630 4.577 0.053 1 1 1230 . 7 1 1 A 138 138 ASP C C 138 174.800 176.464 -1.664 1 1 1231 . 7 1 1 A 138 138 ASP CA C 138 54.000 54.839 -0.839 1 1 1232 . 7 1 1 A 138 138 ASP CB C 138 39.300 41.014 -1.714 1 1 1233 . 7 1 1 A 138 138 ASP N N 138 122.400 120.130 2.270 1 1 1234 . 7 1 1 A 139 139 TYR H H 139 7.620 8.406 -0.786 1 1 1235 . 7 1 1 A 139 139 TYR HA H 139 3.530 4.127 -0.597 1 1 1238 . 7 1 1 A 139 139 TYR C C 139 176.400 177.961 -1.561 1 1 1239 . 7 1 1 A 139 139 TYR CA C 139 62.800 60.846 1.954 1 1 1240 . 7 1 1 A 139 139 TYR CB C 139 39.100 37.278 1.822 1 1 1241 . 7 1 1 A 139 139 TYR N N 139 120.500 120.125 0.375 1 1 1242 . 7 1 1 A 140 140 ASP H H 140 8.690 7.048 1.642 1 1 1243 . 7 1 1 A 140 140 ASP HA H 140 4.210 4.113 0.097 1 1 1245 . 7 1 1 A 140 140 ASP C C 140 179.300 179.001 0.299 1 1 1246 . 7 1 1 A 140 140 ASP CA C 140 57.200 56.946 0.254 1 1 1247 . 7 1 1 A 140 140 ASP CB C 140 40.400 40.226 0.174 1 1 1248 . 7 1 1 A 140 140 ASP N N 140 115.200 121.850 -6.650 1 1 1249 . 7 1 1 A 141 141 GLY H H 141 7.800 8.042 -0.242 1 1 1250 . 7 1 1 A 141 141 GLY HA2 H 141 3.800 3.703 0.097 1 1 1251 . 7 1 1 A 141 141 GLY HA3 H 141 4.070 3.703 0.367 1 1 1252 . 7 1 1 A 141 141 GLY C C 141 176.800 175.485 1.315 1 1 1253 . 7 1 1 A 141 141 GLY CA C 141 47.000 47.361 -0.361 1 1 1254 . 7 1 1 A 141 141 GLY N N 141 110.300 107.160 3.140 1 1 1255 . 7 1 1 A 142 142 LYS H H 142 8.010 8.151 -0.141 1 1 1256 . 7 1 1 A 142 142 LYS HA H 142 4.030 4.107 -0.077 1 1 1259 . 7 1 1 A 142 142 LYS C C 142 179.000 178.557 0.443 1 1 1260 . 7 1 1 A 142 142 LYS CA C 142 59.700 59.298 0.402 1 1 1261 . 7 1 1 A 142 142 LYS CB C 142 33.000 32.235 0.765 1 1 1262 . 7 1 1 A 142 142 LYS N N 142 123.200 121.910 1.290 1 1 1263 . 7 1 1 A 143 143 LEU H H 143 8.090 8.545 -0.455 1 1 1264 . 7 1 1 A 143 143 LEU HA H 143 3.760 3.962 -0.202 1 1 1273 . 7 1 1 A 143 143 LEU C C 143 179.000 178.456 0.544 1 1 1274 . 7 1 1 A 143 143 LEU CA C 143 57.500 58.109 -0.609 1 1 1275 . 7 1 1 A 143 143 LEU CB C 143 40.600 41.450 -0.850 1 1 1276 . 7 1 1 A 143 143 LEU N N 143 120.000 121.060 -1.060 1 1 1277 . 7 1 1 A 144 144 SER H H 144 8.350 8.639 -0.289 1 1 1278 . 7 1 1 A 144 144 SER HA H 144 4.120 4.059 0.061 1 1 1280 . 7 1 1 A 144 144 SER C C 144 177.300 177.626 -0.326 1 1 1281 . 7 1 1 A 144 144 SER CA C 144 61.900 61.638 0.262 1 1 1282 . 7 1 1 A 144 144 SER CB C 144 62.300 62.935 -0.635 1 1 1283 . 7 1 1 A 144 144 SER N N 144 114.600 114.632 -0.032 1 1 1284 . 7 1 1 A 145 145 ASN H H 145 7.980 8.479 -0.499 1 1 1285 . 7 1 1 A 145 145 ASN HA H 145 4.460 4.445 0.015 1 1 1288 . 7 1 1 A 145 145 ASN C C 145 176.300 178.245 -1.945 1 1 1289 . 7 1 1 A 145 145 ASN CA C 145 56.600 56.148 0.452 1 1 1290 . 7 1 1 A 145 145 ASN CB C 145 38.600 38.480 0.120 1 1 1291 . 7 1 1 A 145 145 ASN N N 145 121.600 119.267 2.333 1 1 1292 . 7 1 1 A 146 146 PHE H H 146 7.710 8.907 -1.197 1 1 1293 . 7 1 1 A 146 146 PHE HA H 146 4.370 4.143 0.227 1 1 1296 . 7 1 1 A 146 146 PHE C C 146 176.200 178.457 -2.257 1 1 1297 . 7 1 1 A 146 146 PHE CA C 146 61.500 61.249 0.251 1 1 1298 . 7 1 1 A 146 146 PHE CB C 146 40.500 38.862 1.638 1 1 1299 . 7 1 1 A 146 146 PHE N N 146 121.800 118.499 3.301 1 1 1300 . 7 1 1 A 147 147 LYS H H 147 8.510 8.471 0.039 1 1 1301 . 7 1 1 A 147 147 LYS HA H 147 3.620 4.078 -0.458 1 1 1305 . 7 1 1 A 147 147 LYS C C 147 178.200 178.923 -0.723 1 1 1306 . 7 1 1 A 147 147 LYS CA C 147 59.600 58.879 0.721 1 1 1307 . 7 1 1 A 147 147 LYS CB C 147 32.400 32.358 0.042 1 1 1308 . 7 1 1 A 147 147 LYS N N 147 117.700 117.809 -0.109 1 1 1309 . 7 1 1 A 148 148 THR H H 148 8.280 7.782 0.498 1 1 1310 . 7 1 1 A 148 148 THR HA H 148 3.870 3.961 -0.091 1 1 1315 . 7 1 1 A 148 148 THR C C 148 177.200 176.817 0.383 1 1 1316 . 7 1 1 A 148 148 THR CA C 148 66.600 66.361 0.239 1 1 1317 . 7 1 1 A 148 148 THR CB C 148 68.200 68.804 -0.604 1 1 1318 . 7 1 1 A 148 148 THR N N 148 116.200 116.250 -0.050 1 1 1319 . 7 1 1 A 149 149 ALA H H 149 7.570 8.192 -0.622 1 1 1320 . 7 1 1 A 149 149 ALA HA H 149 4.030 3.944 0.086 1 1 1324 . 7 1 1 A 149 149 ALA C C 149 177.700 179.247 -1.547 1 1 1325 . 7 1 1 A 149 149 ALA CA C 149 54.900 55.018 -0.118 1 1 1326 . 7 1 1 A 149 149 ALA CB C 149 18.700 17.926 0.774 1 1 1327 . 7 1 1 A 149 149 ALA N N 149 124.000 123.460 0.540 1 1 1328 . 7 1 1 A 150 150 ALA H H 150 7.360 8.441 -1.081 1 1 1329 . 7 1 1 A 150 150 ALA HA H 150 1.860 3.536 -1.676 1 1 1333 . 7 1 1 A 150 150 ALA C C 150 180.600 180.296 0.304 1 1 1334 . 7 1 1 A 150 150 ALA CA C 150 53.900 55.118 -1.218 1 1 1335 . 7 1 1 A 150 150 ALA CB C 150 19.500 18.054 1.446 1 1 1336 . 7 1 1 A 150 150 ALA N N 150 119.700 120.500 -0.800 1 1 1337 . 7 1 1 A 151 151 GLU H H 151 7.050 8.296 -1.246 1 1 1338 . 7 1 1 A 151 151 GLU HA H 151 3.680 4.069 -0.389 1 1 1342 . 7 1 1 A 151 151 GLU C C 151 178.500 178.790 -0.290 1 1 1343 . 7 1 1 A 151 151 GLU CA C 151 59.000 59.167 -0.167 1 1 1344 . 7 1 1 A 151 151 GLU CB C 151 30.000 29.592 0.408 1 1 1345 . 7 1 1 A 151 151 GLU N N 151 114.200 118.618 -4.418 1 1 1346 . 7 1 1 A 152 152 SER H H 152 7.510 7.924 -0.414 1 1 1347 . 7 1 1 A 152 152 SER HA H 152 4.160 4.109 0.051 1 1 1350 . 7 1 1 A 152 152 SER C C 152 173.400 175.636 -2.236 1 1 1351 . 7 1 1 A 152 152 SER CA C 152 60.600 62.561 -1.961 1 1 1352 . 7 1 1 A 152 152 SER CB C 152 63.500 63.131 0.369 1 1 1353 . 7 1 1 A 152 152 SER N N 152 111.900 117.532 -5.632 1 1 1354 . 7 1 1 A 153 153 PHE H H 153 7.240 7.840 -0.600 1 1 1355 . 7 1 1 A 153 153 PHE HA H 153 4.750 4.877 -0.127 1 1 1358 . 7 1 1 A 153 153 PHE C C 153 174.600 175.418 -0.818 1 1 1359 . 7 1 1 A 153 153 PHE CA C 153 57.200 56.959 0.241 1 1 1360 . 7 1 1 A 153 153 PHE CB C 153 41.300 38.817 2.483 1 1 1361 . 7 1 1 A 153 153 PHE N N 153 115.800 115.914 -0.114 1 1 1362 . 7 1 1 A 154 154 LYS H H 154 7.320 7.595 -0.275 1 1 1363 . 7 1 1 A 154 154 LYS HA H 154 4.380 4.158 0.222 1 1 1368 . 7 1 1 A 154 154 LYS C C 154 178.200 177.346 0.854 1 1 1369 . 7 1 1 A 154 154 LYS CA C 154 58.500 58.229 0.271 1 1 1370 . 7 1 1 A 154 154 LYS CB C 154 31.900 32.446 -0.546 1 1 1371 . 7 1 1 A 154 154 LYS N N 154 124.000 122.792 1.208 1 1 1372 . 7 1 1 A 155 155 GLY H H 155 9.720 9.023 0.697 1 1 1373 . 7 1 1 A 155 155 GLY HA2 H 155 3.620 4.004 -0.384 1 1 1374 . 7 1 1 A 155 155 GLY HA3 H 155 4.290 4.035 0.255 1 1 1375 . 7 1 1 A 155 155 GLY C C 155 173.200 174.253 -1.053 1 1 1376 . 7 1 1 A 155 155 GLY CA C 155 45.500 45.172 0.328 1 1 1377 . 7 1 1 A 155 155 GLY N N 155 115.400 115.395 0.005 1 1 1378 . 7 1 1 A 156 156 LYS H H 156 8.400 7.949 0.451 1 1 1379 . 7 1 1 A 156 156 LYS HA H 156 4.630 4.382 0.248 1 1 1383 . 7 1 1 A 156 156 LYS C C 156 175.000 175.724 -0.724 1 1 1384 . 7 1 1 A 156 156 LYS CA C 156 57.100 57.503 -0.403 1 1 1385 . 7 1 1 A 156 156 LYS CB C 156 35.800 34.535 1.265 1 1 1386 . 7 1 1 A 156 156 LYS N N 156 118.700 121.297 -2.597 1 1 1387 . 7 1 1 A 157 157 ILE H H 157 7.890 7.112 0.778 1 1 1388 . 7 1 1 A 157 157 ILE HA H 157 4.330 4.541 -0.211 1 1 1396 . 7 1 1 A 157 157 ILE C C 157 175.000 172.721 2.279 1 1 1397 . 7 1 1 A 157 157 ILE CA C 157 60.400 59.564 0.836 1 1 1398 . 7 1 1 A 157 157 ILE CB C 157 43.600 41.471 2.129 1 1 1399 . 7 1 1 A 157 157 ILE N N 157 116.600 118.027 -1.427 1 1 1400 . 7 1 1 A 158 158 LEU H H 158 8.300 8.573 -0.273 1 1 1401 . 7 1 1 A 158 158 LEU HA H 158 4.840 4.991 -0.151 1 1 1410 . 7 1 1 A 158 158 LEU C C 158 175.000 174.607 0.393 1 1 1411 . 7 1 1 A 158 158 LEU CA C 158 54.500 52.849 1.651 1 1 1412 . 7 1 1 A 158 158 LEU CB C 158 43.300 44.596 -1.296 1 1 1413 . 7 1 1 A 158 158 LEU N N 158 129.800 129.545 0.255 1 1 1414 . 7 1 1 A 159 159 PHE H H 159 9.310 9.165 0.145 1 1 1415 . 7 1 1 A 159 159 PHE HA H 159 4.890 5.234 -0.344 1 1 1418 . 7 1 1 A 159 159 PHE C C 159 178.500 176.204 2.296 1 1 1419 . 7 1 1 A 159 159 PHE CA C 159 56.600 57.333 -0.733 1 1 1420 . 7 1 1 A 159 159 PHE CB C 159 39.100 40.285 -1.185 1 1 1421 . 7 1 1 A 159 159 PHE N N 159 130.000 127.652 2.348 1 1 1422 . 7 1 1 A 160 160 ILE H H 160 9.130 9.834 -0.704 1 1 1423 . 7 1 1 A 160 160 ILE HA H 160 5.470 5.186 0.284 1 1 1431 . 7 1 1 A 160 160 ILE C C 160 174.500 175.715 -1.215 1 1 1432 . 7 1 1 A 160 160 ILE CA C 160 58.700 59.509 -0.809 1 1 1433 . 7 1 1 A 160 160 ILE CB C 160 42.000 40.286 1.714 1 1 1434 . 7 1 1 A 160 160 ILE N N 160 124.100 120.653 3.447 1 1 1435 . 7 1 1 A 161 161 PHE H H 161 8.920 8.976 -0.056 1 1 1436 . 7 1 1 A 161 161 PHE HA H 161 5.780 5.989 -0.209 1 1 1439 . 7 1 1 A 161 161 PHE C C 161 172.800 172.959 -0.159 1 1 1440 . 7 1 1 A 161 161 PHE CA C 161 54.500 55.152 -0.652 1 1 1441 . 7 1 1 A 161 161 PHE CB C 161 42.700 42.734 -0.034 1 1 1442 . 7 1 1 A 161 161 PHE N N 161 122.600 119.154 3.446 1 1 1443 . 7 1 1 A 162 162 ILE H H 162 8.780 9.176 -0.396 1 1 1444 . 7 1 1 A 162 162 ILE HA H 162 4.310 4.989 -0.679 1 1 1451 . 7 1 1 A 162 162 ILE C C 162 174.000 173.836 0.164 1 1 1452 . 7 1 1 A 162 162 ILE CA C 162 59.600 59.276 0.324 1 1 1453 . 7 1 1 A 162 162 ILE CB C 162 42.300 40.599 1.701 1 1 1454 . 7 1 1 A 162 162 ILE N N 162 121.400 122.810 -1.410 1 1 1455 . 7 1 1 A 163 163 ASP H H 163 8.410 8.794 -0.384 1 1 1456 . 7 1 1 A 163 163 ASP HA H 163 5.370 4.709 0.661 1 1 1459 . 7 1 1 A 163 163 ASP C C 163 178.300 176.903 1.397 1 1 1460 . 7 1 1 A 163 163 ASP CA C 163 52.600 54.369 -1.769 1 1 1461 . 7 1 1 A 163 163 ASP CB C 163 40.500 41.353 -0.853 1 1 1462 . 7 1 1 A 163 163 ASP N N 163 123.800 128.346 -4.546 1 1 1463 . 7 1 1 A 164 164 SER H H 164 7.470 8.951 -1.481 1 1 1464 . 7 1 1 A 164 164 SER HA H 164 3.990 4.037 -0.047 1 1 1467 . 7 1 1 A 164 164 SER C C 164 173.900 174.207 -0.307 1 1 1468 . 7 1 1 A 164 164 SER CA C 164 60.500 62.450 -1.950 1 1 1469 . 7 1 1 A 164 164 SER CB C 164 64.500 62.830 1.670 1 1 1470 . 7 1 1 A 164 164 SER N N 164 124.000 120.161 3.839 1 1 1471 . 7 1 1 A 165 165 ASP H H 165 8.360 8.042 0.318 1 1 1472 . 7 1 1 A 165 165 ASP HA H 165 4.670 4.386 0.284 1 1 1475 . 7 1 1 A 165 165 ASP C C 165 177.400 176.234 1.166 1 1 1476 . 7 1 1 A 165 165 ASP CA C 165 55.600 55.152 0.448 1 1 1477 . 7 1 1 A 165 165 ASP CB C 165 41.300 39.110 2.190 1 1 1478 . 7 1 1 A 165 165 ASP N N 165 119.300 117.287 2.013 1 1 1479 . 7 1 1 A 166 166 HIS H H 166 7.260 8.048 -0.788 1 1 1480 . 7 1 1 A 166 166 HIS HA H 166 4.400 4.306 0.094 1 1 1482 . 7 1 1 A 166 166 HIS CA C 166 58.300 58.701 -0.401 1 1 1483 . 7 1 1 A 166 166 HIS CB C 166 31.900 30.029 1.871 1 1 1484 . 7 1 1 A 166 166 HIS N N 166 121.400 117.619 3.781 1 1 1485 . 7 1 1 A 167 167 THR HA H 167 4.050 4.316 -0.266 1 1 1490 . 7 1 1 A 167 167 THR C C 167 176.800 176.142 0.658 1 1 1491 . 7 1 1 A 167 167 THR CA C 167 66.000 62.462 3.538 1 1 1492 . 7 1 1 A 167 167 THR CB C 167 68.600 69.653 -1.053 1 1 1493 . 7 1 1 A 168 168 ASP H H 168 11.030 8.389 2.641 1 1 1494 . 7 1 1 A 168 168 ASP HA H 168 4.640 4.489 0.151 1 1 1497 . 7 1 1 A 168 168 ASP C C 168 177.500 177.260 0.240 1 1 1498 . 7 1 1 A 168 168 ASP CA C 168 56.800 56.769 0.031 1 1 1499 . 7 1 1 A 168 168 ASP CB C 168 39.800 40.460 -0.660 1 1 1500 . 7 1 1 A 168 168 ASP N N 168 124.900 122.387 2.513 1 1 1501 . 7 1 1 A 169 169 ASN H H 169 7.970 8.536 -0.566 1 1 1502 . 7 1 1 A 169 169 ASN HA H 169 5.260 4.627 0.633 1 1 1505 . 7 1 1 A 169 169 ASN C C 169 176.100 176.479 -0.379 1 1 1506 . 7 1 1 A 169 169 ASN CA C 169 52.700 52.791 -0.091 1 1 1507 . 7 1 1 A 169 169 ASN CB C 169 38.600 38.093 0.507 1 1 1508 . 7 1 1 A 169 169 ASN N N 169 114.600 117.453 -2.853 1 1 1509 . 7 1 1 A 170 170 GLN H H 170 7.660 8.458 -0.798 1 1 1510 . 7 1 1 A 170 170 GLN HA H 170 4.020 3.986 0.034 1 1 1513 . 7 1 1 A 170 170 GLN C C 170 178.100 178.174 -0.074 1 1 1514 . 7 1 1 A 170 170 GLN CA C 170 59.500 58.877 0.623 1 1 1515 . 7 1 1 A 170 170 GLN CB C 170 28.000 28.349 -0.349 1 1 1516 . 7 1 1 A 170 170 GLN N N 170 121.400 118.336 3.064 1 1 1517 . 7 1 1 A 171 171 ARG H H 171 8.570 7.918 0.652 1 1 1518 . 7 1 1 A 171 171 ARG HA H 171 4.250 4.094 0.156 1 1 1521 . 7 1 1 A 171 171 ARG C C 171 178.700 178.599 0.101 1 1 1522 . 7 1 1 A 171 171 ARG CA C 171 58.700 59.066 -0.366 1 1 1523 . 7 1 1 A 171 171 ARG CB C 171 29.100 29.957 -0.857 1 1 1524 . 7 1 1 A 171 171 ARG N N 171 117.500 119.518 -2.018 1 1 1525 . 7 1 1 A 172 172 ILE H H 172 7.700 7.887 -0.187 1 1 1526 . 7 1 1 A 172 172 ILE HA H 172 4.010 3.579 0.431 1 1 1534 . 7 1 1 A 172 172 ILE C C 172 177.600 178.426 -0.826 1 1 1535 . 7 1 1 A 172 172 ILE CA C 172 63.300 65.694 -2.394 1 1 1536 . 7 1 1 A 172 172 ILE CB C 172 37.000 37.585 -0.585 1 1 1537 . 7 1 1 A 172 172 ILE N N 172 121.000 120.441 0.559 1 1 1538 . 7 1 1 A 173 173 LEU H H 173 7.400 7.806 -0.406 1 1 1539 . 7 1 1 A 173 173 LEU HA H 173 3.740 4.042 -0.302 1 1 1548 . 7 1 1 A 173 173 LEU C C 173 179.500 178.810 0.690 1 1 1549 . 7 1 1 A 173 173 LEU CA C 173 60.500 58.252 2.248 1 1 1550 . 7 1 1 A 173 173 LEU CB C 173 40.500 41.710 -1.210 1 1 1551 . 7 1 1 A 173 173 LEU N N 173 121.400 119.621 1.779 1 1 1552 . 7 1 1 A 174 174 GLU H H 174 8.030 8.060 -0.030 1 1 1553 . 7 1 1 A 174 174 GLU HA H 174 4.000 3.989 0.011 1 1 1557 . 7 1 1 A 174 174 GLU C C 174 180.200 179.121 1.079 1 1 1558 . 7 1 1 A 174 174 GLU CA C 174 59.200 59.856 -0.656 1 1 1559 . 7 1 1 A 174 174 GLU CB C 174 29.300 29.525 -0.225 1 1 1560 . 7 1 1 A 174 174 GLU N N 174 117.200 119.293 -2.093 1 1 1561 . 7 1 1 A 175 175 PHE H H 175 8.000 7.896 0.104 1 1 1562 . 7 1 1 A 175 175 PHE HA H 175 4.150 4.281 -0.131 1 1 1565 . 7 1 1 A 175 175 PHE C C 175 176.400 178.003 -1.603 1 1 1566 . 7 1 1 A 175 175 PHE CA C 175 60.800 61.454 -0.654 1 1 1567 . 7 1 1 A 175 175 PHE CB C 175 38.700 38.908 -0.208 1 1 1568 . 7 1 1 A 175 175 PHE N N 175 122.000 120.994 1.006 1 1 1569 . 7 1 1 A 176 176 PHE H H 176 7.510 7.694 -0.184 1 1 1570 . 7 1 1 A 176 176 PHE HA H 176 4.110 4.306 -0.196 1 1 1573 . 7 1 1 A 176 176 PHE C C 176 175.000 175.725 -0.725 1 1 1574 . 7 1 1 A 176 176 PHE CA C 176 59.300 59.267 0.033 1 1 1575 . 7 1 1 A 176 176 PHE CB C 176 40.000 39.674 0.326 1 1 1576 . 7 1 1 A 176 176 PHE N N 176 113.100 118.010 -4.910 1 1 1577 . 7 1 1 A 177 177 GLY H H 177 8.030 7.665 0.365 1 1 1578 . 7 1 1 A 177 177 GLY HA2 H 177 3.850 3.836 0.014 1 1 1579 . 7 1 1 A 177 177 GLY C C 177 173.900 174.379 -0.479 1 1 1580 . 7 1 1 A 177 177 GLY CA C 177 46.500 46.846 -0.346 1 1 1581 . 7 1 1 A 177 177 GLY N N 177 110.900 108.075 2.825 1 1 1582 . 7 1 1 A 178 178 LEU H H 178 7.730 7.736 -0.006 1 1 1583 . 7 1 1 A 178 178 LEU HA H 178 4.440 4.817 -0.377 1 1 1592 . 7 1 1 A 178 178 LEU C C 178 175.800 175.459 0.341 1 1 1593 . 7 1 1 A 178 178 LEU CA C 178 53.500 53.426 0.074 1 1 1594 . 7 1 1 A 178 178 LEU CB C 178 45.900 45.002 0.898 1 1 1595 . 7 1 1 A 178 178 LEU N N 178 120.700 120.952 -0.252 1 1 1596 . 7 1 1 A 179 179 LYS H H 179 8.170 8.491 -0.321 1 1 1597 . 7 1 1 A 179 179 LYS HA H 179 4.530 4.698 -0.168 1 1 1600 . 7 1 1 A 179 179 LYS C C 179 178.500 177.318 1.182 1 1 1601 . 7 1 1 A 179 179 LYS CA C 179 54.000 54.844 -0.844 1 1 1602 . 7 1 1 A 179 179 LYS CB C 179 34.100 34.642 -0.542 1 1 1603 . 7 1 1 A 179 179 LYS N N 179 119.500 124.096 -4.596 1 1 1604 . 7 1 1 A 180 180 LYS H H 180 9.110 8.747 0.363 1 1 1605 . 7 1 1 A 180 180 LYS HA H 180 3.820 3.973 -0.153 1 1 1609 . 7 1 1 A 180 180 LYS C C 180 179.600 178.455 1.145 1 1 1610 . 7 1 1 A 180 180 LYS CA C 180 60.900 60.017 0.883 1 1 1611 . 7 1 1 A 180 180 LYS CB C 180 32.100 32.230 -0.130 1 1 1612 . 7 1 1 A 180 180 LYS N N 180 124.200 121.031 3.169 1 1 1613 . 7 1 1 A 181 181 GLU H H 181 9.460 8.358 1.102 1 1 1614 . 7 1 1 A 181 181 GLU HA H 181 4.220 4.292 -0.072 1 1 1617 . 7 1 1 A 181 181 GLU C C 181 176.700 177.134 -0.434 1 1 1618 . 7 1 1 A 181 181 GLU CA C 181 58.700 57.907 0.793 1 1 1619 . 7 1 1 A 181 181 GLU CB C 181 28.300 29.265 -0.965 1 1 1620 . 7 1 1 A 181 181 GLU N N 181 116.600 118.127 -1.527 1 1 1621 . 7 1 1 A 182 182 GLU H H 182 7.660 8.314 -0.654 1 1 1622 . 7 1 1 A 182 182 GLU HA H 182 4.320 4.238 0.082 1 1 1625 . 7 1 1 A 182 182 GLU C C 182 174.900 175.564 -0.664 1 1 1626 . 7 1 1 A 182 182 GLU CA C 182 55.700 56.355 -0.655 1 1 1627 . 7 1 1 A 182 182 GLU CB C 182 30.600 28.725 1.875 1 1 1628 . 7 1 1 A 182 182 GLU N N 182 118.300 117.604 0.696 1 1 1629 . 7 1 1 A 183 183 CYS H H 183 7.090 8.020 -0.930 1 1 1630 . 7 1 1 A 183 183 CYS HA H 183 4.270 4.947 -0.677 1 1 1633 . 7 1 1 A 183 183 CYS CA C 183 58.200 56.621 1.579 1 1 1634 . 7 1 1 A 183 183 CYS CB C 183 27.400 29.136 -1.736 1 1 1635 . 7 1 1 A 183 183 CYS N N 183 117.700 119.755 -2.055 1 1 1636 . 7 1 1 A 184 184 PRO HA H 184 5.370 4.925 0.445 1 1 1637 . 7 1 1 A 184 184 PRO C C 184 174.300 175.855 -1.555 1 1 1638 . 7 1 1 A 184 184 PRO CA C 184 61.500 63.317 -1.817 1 1 1639 . 7 1 1 A 184 184 PRO CB C 184 36.000 32.739 3.261 1 1 1640 . 7 1 1 A 185 185 ALA H H 185 8.370 8.634 -0.264 1 1 1641 . 7 1 1 A 185 185 ALA HA H 185 4.790 4.914 -0.124 1 1 1645 . 7 1 1 A 185 185 ALA C C 185 174.800 175.295 -0.495 1 1 1646 . 7 1 1 A 185 185 ALA CA C 185 51.600 51.124 0.476 1 1 1647 . 7 1 1 A 185 185 ALA CB C 185 23.400 23.592 -0.192 1 1 1648 . 7 1 1 A 185 185 ALA N N 185 123.000 121.540 1.460 1 1 1649 . 7 1 1 A 186 186 VAL H H 186 8.660 8.674 -0.014 1 1 1650 . 7 1 1 A 186 186 VAL HA H 186 5.710 4.895 0.815 1 1 1655 . 7 1 1 A 186 186 VAL C C 186 176.500 174.494 2.006 1 1 1656 . 7 1 1 A 186 186 VAL CA C 186 59.300 61.605 -2.305 1 1 1657 . 7 1 1 A 186 186 VAL CB C 186 35.300 33.594 1.706 1 1 1658 . 7 1 1 A 186 186 VAL N N 186 117.900 119.747 -1.847 1 1 1659 . 7 1 1 A 187 187 ARG H H 187 8.910 9.238 -0.328 1 1 1660 . 7 1 1 A 187 187 ARG HA H 187 5.000 5.420 -0.420 1 1 1663 . 7 1 1 A 187 187 ARG C C 187 172.600 173.537 -0.937 1 1 1664 . 7 1 1 A 187 187 ARG CA C 187 53.000 54.275 -1.275 1 1 1665 . 7 1 1 A 187 187 ARG CB C 187 35.900 34.201 1.699 1 1 1666 . 7 1 1 A 187 187 ARG N N 187 123.000 128.259 -5.259 1 1 1667 . 7 1 1 A 188 188 LEU H H 188 8.790 9.200 -0.410 1 1 1668 . 7 1 1 A 188 188 LEU HA H 188 5.420 5.170 0.250 1 1 1677 . 7 1 1 A 188 188 LEU C C 188 174.600 174.537 0.063 1 1 1678 . 7 1 1 A 188 188 LEU CA C 188 54.300 53.192 1.108 1 1 1679 . 7 1 1 A 188 188 LEU CB C 188 47.300 45.517 1.783 1 1 1680 . 7 1 1 A 188 188 LEU N N 188 124.700 127.741 -3.041 1 1 1681 . 7 1 1 A 189 189 ILE H H 189 9.590 8.787 0.803 1 1 1682 . 7 1 1 A 189 189 ILE HA H 189 5.880 5.036 0.844 1 1 1690 . 7 1 1 A 189 189 ILE C C 189 173.500 174.449 -0.949 1 1 1691 . 7 1 1 A 189 189 ILE CA C 189 58.400 59.589 -1.189 1 1 1692 . 7 1 1 A 189 189 ILE CB C 189 43.000 40.687 2.313 1 1 1693 . 7 1 1 A 189 189 ILE N N 189 121.800 125.813 -4.013 1 1 1694 . 7 1 1 A 190 190 THR H H 190 8.750 9.591 -0.841 1 1 1695 . 7 1 1 A 190 190 THR HA H 190 5.360 5.010 0.350 1 1 1700 . 7 1 1 A 190 190 THR C C 190 174.300 173.332 0.968 1 1 1701 . 7 1 1 A 190 190 THR CA C 190 58.800 60.974 -2.174 1 1 1702 . 7 1 1 A 190 190 THR CB C 190 70.400 72.229 -1.829 1 1 1703 . 7 1 1 A 190 190 THR N N 190 114.200 123.986 -9.786 1 1 1704 . 7 1 1 A 191 191 LEU H H 191 8.610 8.512 0.098 1 1 1705 . 7 1 1 A 191 191 LEU HA H 191 4.640 5.136 -0.496 1 1 1711 . 7 1 1 A 191 191 LEU C C 191 176.400 175.308 1.092 1 1 1712 . 7 1 1 A 191 191 LEU CA C 191 54.500 53.759 0.741 1 1 1713 . 7 1 1 A 191 191 LEU CB C 191 42.300 43.906 -1.606 1 1 1714 . 7 1 1 A 191 191 LEU N N 191 125.500 124.880 0.620 1 1 1715 . 7 1 1 A 192 192 GLU H H 192 7.540 8.581 -1.041 1 1 1716 . 7 1 1 A 192 192 GLU HA H 192 4.510 4.685 -0.175 1 1 1719 . 7 1 1 A 192 192 GLU C C 192 176.100 176.239 -0.139 1 1 1720 . 7 1 1 A 192 192 GLU CA C 192 56.300 56.352 -0.052 1 1 1721 . 7 1 1 A 192 192 GLU CB C 192 29.800 31.178 -1.378 1 1 1722 . 7 1 1 A 192 192 GLU N N 192 123.400 123.697 -0.297 1 1 1723 . 7 1 1 A 193 193 GLU H H 193 8.490 8.434 0.056 1 1 1724 . 7 1 1 A 193 193 GLU HA H 193 4.150 4.566 -0.416 1 1 1727 . 7 1 1 A 193 193 GLU C C 193 176.700 175.765 0.935 1 1 1728 . 7 1 1 A 193 193 GLU CA C 193 59.200 55.946 3.254 1 1 1729 . 7 1 1 A 193 193 GLU CB C 193 29.000 30.449 -1.449 1 1 1730 . 7 1 1 A 193 193 GLU N N 193 122.400 120.173 2.227 1 1 1731 . 7 1 1 A 194 194 GLU H H 194 7.990 7.691 0.299 1 1 1732 . 7 1 1 A 194 194 GLU HA H 194 4.460 4.633 -0.173 1 1 1736 . 7 1 1 A 194 194 GLU C C 194 175.700 174.209 1.491 1 1 1737 . 7 1 1 A 194 194 GLU CA C 194 54.900 55.534 -0.634 1 1 1738 . 7 1 1 A 194 194 GLU CB C 194 31.400 33.252 -1.852 1 1 1739 . 7 1 1 A 194 194 GLU N N 194 116.200 119.820 -3.620 1 1 1740 . 7 1 1 A 195 195 MET H H 195 8.760 8.505 0.255 1 1 1741 . 7 1 1 A 195 195 MET HA H 195 5.050 4.481 0.569 1 1 1746 . 7 1 1 A 195 195 MET C C 195 175.900 176.018 -0.118 1 1 1747 . 7 1 1 A 195 195 MET CA C 195 56.000 54.668 1.332 1 1 1748 . 7 1 1 A 195 195 MET CB C 195 33.200 31.839 1.361 1 1 1749 . 7 1 1 A 195 195 MET N N 195 123.000 121.932 1.068 1 1 1750 . 7 1 1 A 196 196 THR H H 196 8.400 8.702 -0.302 1 1 1751 . 7 1 1 A 196 196 THR HA H 196 4.400 5.337 -0.937 1 1 1756 . 7 1 1 A 196 196 THR C C 196 172.000 173.648 -1.648 1 1 1757 . 7 1 1 A 196 196 THR CA C 196 62.900 60.476 2.424 1 1 1758 . 7 1 1 A 196 196 THR CB C 196 69.800 70.608 -0.808 1 1 1759 . 7 1 1 A 196 196 THR N N 196 122.000 115.662 6.338 1 1 1760 . 7 1 1 A 197 197 LYS H H 197 8.530 8.617 -0.087 1 1 1761 . 7 1 1 A 197 197 LYS HA H 197 5.420 4.982 0.438 1 1 1764 . 7 1 1 A 197 197 LYS C C 197 174.700 174.248 0.452 1 1 1765 . 7 1 1 A 197 197 LYS CA C 197 55.000 54.447 0.553 1 1 1766 . 7 1 1 A 197 197 LYS CB C 197 35.600 37.178 -1.578 1 1 1767 . 7 1 1 A 197 197 LYS N N 197 123.900 123.658 0.242 1 1 1768 . 7 1 1 A 198 198 TYR H H 198 9.540 9.485 0.055 1 1 1769 . 7 1 1 A 198 198 TYR HA H 198 4.880 5.285 -0.405 1 1 1772 . 7 1 1 A 198 198 TYR C C 198 174.400 173.350 1.050 1 1 1773 . 7 1 1 A 198 198 TYR CA C 198 57.700 56.341 1.359 1 1 1774 . 7 1 1 A 198 198 TYR CB C 198 41.700 41.971 -0.271 1 1 1775 . 7 1 1 A 198 198 TYR N N 198 117.900 123.916 -6.016 1 1 1776 . 7 1 1 A 199 199 LYS H H 199 9.290 8.399 0.891 1 1 1777 . 7 1 1 A 199 199 LYS HA H 199 5.070 4.643 0.427 1 1 1781 . 7 1 1 A 199 199 LYS CA C 199 52.500 53.724 -1.224 1 1 1782 . 7 1 1 A 199 199 LYS CB C 199 35.400 32.956 2.444 1 1 1783 . 7 1 1 A 199 199 LYS N N 199 122.600 128.379 -5.779 1 1 1784 . 7 1 1 A 200 200 PRO HA H 200 4.120 4.821 -0.701 1 1 1785 . 7 1 1 A 200 200 PRO C C 200 176.700 175.864 0.836 1 1 1786 . 7 1 1 A 200 200 PRO CA C 200 62.000 62.815 -0.815 1 1 1787 . 7 1 1 A 200 200 PRO CB C 200 31.200 33.533 -2.333 1 1 1788 . 7 1 1 A 201 201 GLU H H 201 9.010 8.817 0.193 1 1 1789 . 7 1 1 A 201 201 GLU HA H 201 4.110 4.662 -0.552 1 1 1793 . 7 1 1 A 201 201 GLU C C 201 176.100 175.794 0.306 1 1 1794 . 7 1 1 A 201 201 GLU CA C 201 57.600 57.447 0.153 1 1 1795 . 7 1 1 A 201 201 GLU CB C 201 30.400 32.632 -2.232 1 1 1796 . 7 1 1 A 201 201 GLU N N 201 119.700 118.428 1.272 1 1 1797 . 7 1 1 A 202 202 SER H H 202 7.570 8.443 -0.873 1 1 1798 . 7 1 1 A 202 202 SER HA H 202 4.650 4.592 0.058 1 1 1801 . 7 1 1 A 202 202 SER C C 202 174.400 173.886 0.514 1 1 1802 . 7 1 1 A 202 202 SER CA C 202 56.400 58.818 -2.418 1 1 1803 . 7 1 1 A 202 202 SER CB C 202 65.100 64.310 0.790 1 1 1804 . 7 1 1 A 202 202 SER N N 202 111.900 115.777 -3.877 1 1 1805 . 7 1 1 A 203 203 GLU H H 203 8.790 9.176 -0.386 1 1 1806 . 7 1 1 A 203 203 GLU HA H 203 4.370 5.213 -0.843 1 1 1809 . 7 1 1 A 203 203 GLU C C 203 176.100 174.621 1.479 1 1 1810 . 7 1 1 A 203 203 GLU CA C 203 56.200 54.920 1.280 1 1 1811 . 7 1 1 A 203 203 GLU CB C 203 29.500 32.224 -2.724 1 1 1812 . 7 1 1 A 203 203 GLU N N 203 122.800 120.416 2.384 1 1 1813 . 7 1 1 A 204 204 GLU H H 204 8.030 8.971 -0.941 1 1 1814 . 7 1 1 A 204 204 GLU HA H 204 4.110 4.614 -0.504 1 1 1817 . 7 1 1 A 204 204 GLU C C 204 176.300 175.842 0.458 1 1 1818 . 7 1 1 A 204 204 GLU CA C 204 57.300 56.274 1.026 1 1 1819 . 7 1 1 A 204 204 GLU CB C 204 31.100 30.898 0.202 1 1 1820 . 7 1 1 A 204 204 GLU N N 204 120.700 122.189 -1.489 1 1 1821 . 7 1 1 A 205 205 LEU H H 205 8.690 8.248 0.442 1 1 1822 . 7 1 1 A 205 205 LEU HA H 205 4.580 5.037 -0.457 1 1 1831 . 7 1 1 A 205 205 LEU C C 205 176.300 177.753 -1.453 1 1 1832 . 7 1 1 A 205 205 LEU CA C 205 53.100 53.423 -0.323 1 1 1833 . 7 1 1 A 205 205 LEU CB C 205 41.100 45.383 -4.283 1 1 1834 . 7 1 1 A 205 205 LEU N N 205 125.500 122.125 3.375 1 1 1835 . 7 1 1 A 206 206 THR H H 206 6.800 8.963 -2.163 1 1 1836 . 7 1 1 A 206 206 THR HA H 206 4.370 4.036 0.334 1 1 1841 . 7 1 1 A 206 206 THR C C 206 175.200 176.410 -1.210 1 1 1842 . 7 1 1 A 206 206 THR CA C 206 59.400 65.664 -6.264 1 1 1843 . 7 1 1 A 206 206 THR CB C 206 70.400 68.165 2.235 1 1 1844 . 7 1 1 A 206 206 THR N N 206 108.200 118.857 -10.657 1 1 1845 . 7 1 1 A 207 207 ALA H H 207 9.320 8.299 1.021 1 1 1846 . 7 1 1 A 207 207 ALA HA H 207 4.010 3.894 0.116 1 1 1850 . 7 1 1 A 207 207 ALA C C 207 180.800 179.820 0.980 1 1 1851 . 7 1 1 A 207 207 ALA CA C 207 56.000 55.133 0.867 1 1 1852 . 7 1 1 A 207 207 ALA CB C 207 18.200 18.011 0.189 1 1 1853 . 7 1 1 A 207 207 ALA N N 207 125.300 124.106 1.194 1 1 1854 . 7 1 1 A 208 208 GLU H H 208 9.390 8.118 1.272 1 1 1855 . 7 1 1 A 208 208 GLU HA H 208 4.050 4.041 0.009 1 1 1859 . 7 1 1 A 208 208 GLU C C 208 179.100 178.892 0.208 1 1 1860 . 7 1 1 A 208 208 GLU CA C 208 60.200 59.187 1.013 1 1 1861 . 7 1 1 A 208 208 GLU CB C 208 29.100 29.333 -0.233 1 1 1862 . 7 1 1 A 208 208 GLU N N 208 118.500 118.790 -0.290 1 1 1863 . 7 1 1 A 209 209 ARG H H 209 7.700 8.924 -1.224 1 1 1864 . 7 1 1 A 209 209 ARG HA H 209 4.230 3.917 0.313 1 1 1867 . 7 1 1 A 209 209 ARG C C 209 180.000 178.947 1.053 1 1 1868 . 7 1 1 A 209 209 ARG CA C 209 57.900 59.189 -1.289 1 1 1869 . 7 1 1 A 209 209 ARG CB C 209 30.100 30.615 -0.515 1 1 1870 . 7 1 1 A 209 209 ARG N N 209 119.700 119.227 0.473 1 1 1871 . 7 1 1 A 210 210 ILE H H 210 8.540 7.595 0.945 1 1 1872 . 7 1 1 A 210 210 ILE HA H 210 3.950 4.089 -0.139 1 1 1880 . 7 1 1 A 210 210 ILE C C 210 178.000 178.114 -0.114 1 1 1881 . 7 1 1 A 210 210 ILE CA C 210 65.400 64.380 1.020 1 1 1882 . 7 1 1 A 210 210 ILE CB C 210 38.300 37.621 0.679 1 1 1883 . 7 1 1 A 210 210 ILE N N 210 122.000 117.509 4.491 1 1 1884 . 7 1 1 A 211 211 THR H H 211 8.620 8.582 0.038 1 1 1885 . 7 1 1 A 211 211 THR HA H 211 4.040 3.842 0.198 1 1 1890 . 7 1 1 A 211 211 THR C C 211 175.300 175.914 -0.614 1 1 1891 . 7 1 1 A 211 211 THR CA C 211 67.800 67.101 0.699 1 1 1892 . 7 1 1 A 211 211 THR CB C 211 68.300 68.222 0.078 1 1 1893 . 7 1 1 A 211 211 THR N N 211 117.100 118.329 -1.229 1 1 1894 . 7 1 1 A 212 212 GLU H H 212 8.050 7.842 0.208 1 1 1895 . 7 1 1 A 212 212 GLU HA H 212 4.280 3.875 0.405 1 1 1898 . 7 1 1 A 212 212 GLU C C 212 177.200 179.088 -1.888 1 1 1899 . 7 1 1 A 212 212 GLU CA C 212 59.700 59.429 0.271 1 1 1900 . 7 1 1 A 212 212 GLU CB C 212 30.300 29.359 0.941 1 1 1901 . 7 1 1 A 212 212 GLU N N 212 121.600 121.167 0.433 1 1 1902 . 7 1 1 A 213 213 PHE H H 213 7.890 7.878 0.012 1 1 1903 . 7 1 1 A 213 213 PHE HA H 213 4.620 4.305 0.315 1 1 1906 . 7 1 1 A 213 213 PHE C C 213 176.300 178.380 -2.080 1 1 1907 . 7 1 1 A 213 213 PHE CA C 213 59.300 60.662 -1.362 1 1 1908 . 7 1 1 A 213 213 PHE CB C 213 38.700 38.648 0.052 1 1 1909 . 7 1 1 A 213 213 PHE N N 213 119.700 119.282 0.418 1 1 1910 . 7 1 1 A 214 214 CYS H H 214 7.700 7.804 -0.104 1 1 1911 . 7 1 1 A 214 214 CYS HA H 214 3.260 3.925 -0.665 1 1 1914 . 7 1 1 A 214 214 CYS C C 214 177.000 177.439 -0.439 1 1 1915 . 7 1 1 A 214 214 CYS CA C 214 64.500 63.926 0.574 1 1 1916 . 7 1 1 A 214 214 CYS CB C 214 27.400 26.549 0.851 1 1 1917 . 7 1 1 A 214 214 CYS N N 214 116.000 117.391 -1.391 1 1 1918 . 7 1 1 A 215 215 HIS H H 215 8.640 8.136 0.504 1 1 1919 . 7 1 1 A 215 215 HIS HA H 215 4.500 4.418 0.082 1 1 1922 . 7 1 1 A 215 215 HIS C C 215 178.100 177.672 0.428 1 1 1923 . 7 1 1 A 215 215 HIS CA C 215 60.300 60.517 -0.217 1 1 1924 . 7 1 1 A 215 215 HIS CB C 215 30.300 29.671 0.629 1 1 1925 . 7 1 1 A 215 215 HIS N N 215 118.100 119.056 -0.956 1 1 1926 . 7 1 1 A 216 216 ARG H H 216 8.730 8.112 0.618 1 1 1927 . 7 1 1 A 216 216 ARG HA H 216 3.920 3.777 0.143 1 1 1930 . 7 1 1 A 216 216 ARG C C 216 179.100 178.492 0.608 1 1 1931 . 7 1 1 A 216 216 ARG CA C 216 59.800 59.593 0.207 1 1 1932 . 7 1 1 A 216 216 ARG CB C 216 30.100 29.743 0.357 1 1 1933 . 7 1 1 A 216 216 ARG N N 216 118.700 119.277 -0.577 1 1 1934 . 7 1 1 A 217 217 PHE H H 217 8.390 7.798 0.592 1 1 1935 . 7 1 1 A 217 217 PHE HA H 217 3.970 4.192 -0.222 1 1 1938 . 7 1 1 A 217 217 PHE C C 217 179.200 177.636 1.564 1 1 1939 . 7 1 1 A 217 217 PHE CA C 217 60.700 61.127 -0.427 1 1 1940 . 7 1 1 A 217 217 PHE CB C 217 37.800 39.032 -1.232 1 1 1941 . 7 1 1 A 217 217 PHE N N 217 120.600 120.884 -0.284 1 1 1942 . 7 1 1 A 218 218 LEU H H 218 8.250 8.509 -0.259 1 1 1943 . 7 1 1 A 218 218 LEU HA H 218 3.500 3.987 -0.487 1 1 1953 . 7 1 1 A 218 218 LEU C C 218 178.800 178.449 0.351 1 1 1954 . 7 1 1 A 218 218 LEU CA C 218 57.400 57.834 -0.434 1 1 1955 . 7 1 1 A 218 218 LEU CB C 218 41.300 41.665 -0.365 1 1 1956 . 7 1 1 A 218 218 LEU N N 218 123.500 120.302 3.198 1 1 1957 . 7 1 1 A 219 219 GLU H H 219 7.770 7.481 0.289 1 1 1958 . 7 1 1 A 219 219 GLU HA H 219 4.200 4.357 -0.157 1 1 1963 . 7 1 1 A 219 219 GLU C C 219 176.800 176.875 -0.075 1 1 1964 . 7 1 1 A 219 219 GLU CA C 219 56.200 56.396 -0.196 1 1 1965 . 7 1 1 A 219 219 GLU CB C 219 30.600 30.016 0.584 1 1 1966 . 7 1 1 A 219 219 GLU N N 219 116.400 116.302 0.098 1 1 1967 . 7 1 1 A 220 220 GLY H H 220 7.720 8.127 -0.407 1 1 1968 . 7 1 1 A 220 220 GLY HA2 H 220 3.890 3.748 0.142 1 1 1969 . 7 1 1 A 220 220 GLY HA3 H 220 3.960 3.832 0.128 1 1 1970 . 7 1 1 A 220 220 GLY C C 220 176.300 174.260 2.040 1 1 1971 . 7 1 1 A 220 220 GLY CA C 220 46.300 45.584 0.716 1 1 1972 . 7 1 1 A 220 220 GLY N N 220 108.600 108.921 -0.321 1 1 1973 . 7 1 1 A 221 221 LYS H H 221 8.000 7.194 0.806 1 1 1974 . 7 1 1 A 221 221 LYS HA H 221 4.320 4.600 -0.280 1 1 1978 . 7 1 1 A 221 221 LYS C C 221 175.900 174.261 1.639 1 1 1979 . 7 1 1 A 221 221 LYS CA C 221 56.100 55.240 0.860 1 1 1980 . 7 1 1 A 221 221 LYS CB C 221 33.700 34.227 -0.527 1 1 1981 . 7 1 1 A 221 221 LYS N N 221 116.600 120.750 -4.150 1 1 1982 . 7 1 1 A 222 222 ILE H H 222 7.910 9.079 -1.169 1 1 1983 . 7 1 1 A 222 222 ILE HA H 222 4.570 5.001 -0.431 1 1 1992 . 7 1 1 A 222 222 ILE C C 222 175.400 173.527 1.873 1 1 1993 . 7 1 1 A 222 222 ILE CA C 222 59.200 60.227 -1.027 1 1 1994 . 7 1 1 A 222 222 ILE CB C 222 38.800 41.363 -2.563 1 1 1995 . 7 1 1 A 222 222 ILE N N 222 118.900 127.295 -8.395 1 1 1996 . 7 1 1 A 223 223 LYS H H 223 8.760 9.109 -0.349 1 1 1997 . 7 1 1 A 223 223 LYS HA H 223 4.570 5.056 -0.486 1 1 2000 . 7 1 1 A 223 223 LYS CA C 223 54.300 52.944 1.356 1 1 2001 . 7 1 1 A 223 223 LYS CB C 223 32.000 33.921 -1.921 1 1 2002 . 7 1 1 A 223 223 LYS N N 223 127.700 130.614 -2.914 1 1 2003 . 7 1 1 A 224 224 PRO C C 224 175.900 176.775 -0.875 1 1 2004 . 7 1 1 A 224 224 PRO CA C 224 63.000 62.457 0.543 1 1 2005 . 7 1 1 A 224 224 PRO CB C 224 32.300 32.691 -0.391 1 1 2006 . 7 1 1 A 225 225 HIS H H 225 8.770 8.458 0.312 1 1 2007 . 7 1 1 A 225 225 HIS C C 225 174.700 174.522 0.178 1 1 2008 . 7 1 1 A 225 225 HIS CA C 225 55.800 55.208 0.592 1 1 2009 . 7 1 1 A 225 225 HIS CB C 225 31.100 31.468 -0.368 1 1 2010 . 7 1 1 A 225 225 HIS N N 225 121.800 117.313 4.487 1 1 2011 . 7 1 1 A 226 226 LEU H H 226 8.160 8.339 -0.179 1 1 2012 . 7 1 1 A 226 226 LEU C C 226 176.400 175.991 0.409 1 1 2013 . 7 1 1 A 226 226 LEU CA C 226 54.500 53.929 0.571 1 1 2014 . 7 1 1 A 226 226 LEU CB C 226 42.300 42.901 -0.601 1 1 2015 . 7 1 1 A 226 226 LEU N N 226 127.000 119.905 7.095 1 1 2016 . 7 1 1 A 227 227 MET H H 227 7.980 8.718 -0.738 1 1 2017 . 7 1 1 A 227 227 MET C C 227 175.100 174.717 0.383 1 1 2018 . 7 1 1 A 227 227 MET CA C 227 55.400 54.538 0.862 1 1 2019 . 7 1 1 A 227 227 MET CB C 227 33.000 33.160 -0.160 1 1 2020 . 7 1 1 A 227 227 MET N N 227 120.800 123.975 -3.175 1 1 2025 . 7 2 1 A 2 2 PRO C C 2 176.900 175.241 1.659 1 1 2026 . 7 2 1 A 2 2 PRO CA C 2 63.300 62.616 0.684 1 1 2027 . 7 2 1 A 2 2 PRO CB C 2 32.200 33.190 -0.990 1 1 2028 . 7 2 1 A 3 3 LEU H H 3 8.510 8.658 -0.148 1 1 2029 . 7 2 1 A 3 3 LEU C C 3 177.700 175.520 2.180 1 1 2030 . 7 2 1 A 3 3 LEU CA C 3 55.300 52.848 2.452 1 1 2031 . 7 2 1 A 3 3 LEU CB C 3 42.100 44.052 -1.952 1 1 2032 . 7 2 1 A 3 3 LEU N N 3 121.400 122.202 -0.802 1 1 2033 . 7 2 1 A 4 4 GLY H H 4 8.190 8.480 -0.290 1 1 2034 . 7 2 1 A 4 4 GLY C C 4 172.900 173.274 -0.374 1 1 2035 . 7 2 1 A 4 4 GLY CA C 4 45.200 43.944 1.256 1 1 2036 . 7 2 1 A 4 4 GLY N N 4 109.400 109.133 0.267 1 1 2037 . 7 2 1 A 5 5 SER H H 5 7.830 8.501 -0.671 1 1 2038 . 7 2 1 A 5 5 SER CA C 5 55.500 56.512 -1.012 1 1 2039 . 7 2 1 A 5 5 SER CB C 5 64.100 63.423 0.677 1 1 2040 . 7 2 1 A 5 5 SER N N 5 115.400 113.145 2.255 1 1 2041 . 7 2 1 A 221 221 LYS C C 221 176.800 174.261 2.539 1 1 2042 . 7 2 1 A 221 221 LYS CA C 221 56.100 55.240 0.860 1 1 2043 . 7 2 1 A 221 221 LYS CB C 221 32.500 34.227 -1.727 1 1 2044 . 7 2 1 A 222 222 ILE H H 222 7.630 9.079 -1.449 1 1 2045 . 7 2 1 A 222 222 ILE C C 222 175.800 173.527 2.273 1 1 2046 . 7 2 1 A 222 222 ILE CA C 222 61.300 60.227 1.073 1 1 2047 . 7 2 1 A 222 222 ILE CB C 222 38.500 41.363 -2.863 1 1 2048 . 7 2 1 A 222 222 ILE N N 222 118.900 127.295 -8.395 1 1 2049 . 7 2 1 A 223 223 LYS H H 223 8.080 9.109 -1.029 1 1 2050 . 7 2 1 A 223 223 LYS CA C 223 54.300 52.944 1.356 1 1 2051 . 7 2 1 A 223 223 LYS CB C 223 32.400 33.921 -1.521 1 1 2052 . 7 2 1 A 223 223 LYS N N 223 125.500 130.614 -5.114 1 1 2053 . 7 2 1 A 224 224 PRO C C 224 176.700 176.775 -0.075 1 1 2054 . 7 2 1 A 224 224 PRO CA C 224 63.400 62.457 0.943 1 1 2055 . 7 2 1 A 224 224 PRO CB C 224 31.800 32.691 -0.891 1 1 2056 . 7 2 1 A 225 225 HIS H H 225 8.330 8.458 -0.128 1 1 2057 . 7 2 1 A 225 225 HIS C C 225 175.000 174.522 0.478 1 1 2058 . 7 2 1 A 225 225 HIS CA C 225 56.100 55.208 0.892 1 1 2059 . 7 2 1 A 225 225 HIS CB C 225 30.300 31.468 -1.168 1 1 2060 . 7 2 1 A 225 225 HIS N N 225 119.000 117.313 1.687 1 1 2061 . 7 2 1 A 226 226 LEU H H 226 8.030 8.339 -0.309 1 1 2062 . 7 2 1 A 226 226 LEU C C 226 176.800 175.991 0.809 1 1 2063 . 7 2 1 A 226 226 LEU CA C 226 55.000 53.929 1.071 1 1 2064 . 7 2 1 A 226 226 LEU CB C 226 42.300 42.901 -0.601 1 1 2065 . 7 2 1 A 226 226 LEU N N 226 123.200 119.905 3.295 1 1 2066 . 7 2 1 A 227 227 MET H H 227 8.280 8.718 -0.438 1 1 2067 . 7 2 1 A 227 227 MET CA C 227 55.300 54.538 0.762 1 1 2068 . 7 2 1 A 227 227 MET CB C 227 32.900 33.160 -0.260 1 1 1 . 8 1 1 A 2 2 PRO C C 2 176.900 176.545 0.355 1 1 2 . 8 1 1 A 2 2 PRO CA C 2 63.000 65.163 -2.163 1 1 3 . 8 1 1 A 2 2 PRO CB C 2 32.100 31.677 0.423 1 1 4 . 8 1 1 A 3 3 LEU H H 3 8.510 7.539 0.971 1 1 5 . 8 1 1 A 3 3 LEU HA H 3 4.320 4.706 -0.386 1 1 10 . 8 1 1 A 3 3 LEU C C 3 177.900 175.162 2.738 1 1 11 . 8 1 1 A 3 3 LEU CA C 3 55.500 54.223 1.277 1 1 12 . 8 1 1 A 3 3 LEU CB C 3 42.000 45.386 -3.386 1 1 13 . 8 1 1 A 3 3 LEU N N 3 122.400 117.220 5.180 1 1 14 . 8 1 1 A 4 4 GLY H H 4 8.450 8.865 -0.415 1 1 15 . 8 1 1 A 4 4 GLY HA2 H 4 3.900 4.067 -0.167 1 1 16 . 8 1 1 A 4 4 GLY HA3 H 4 4.020 4.067 -0.047 1 1 17 . 8 1 1 A 4 4 GLY C C 4 173.800 172.517 1.283 1 1 18 . 8 1 1 A 4 4 GLY CA C 4 45.100 44.344 0.756 1 1 19 . 8 1 1 A 4 4 GLY N N 4 110.200 114.364 -4.164 1 1 20 . 8 1 1 A 5 5 SER H H 5 8.040 8.461 -0.421 1 1 21 . 8 1 1 A 5 5 SER HA H 5 4.010 5.069 -1.059 1 1 23 . 8 1 1 A 5 5 SER CA C 5 56.300 54.984 1.316 1 1 24 . 8 1 1 A 5 5 SER CB C 5 63.300 64.431 -1.131 1 1 25 . 8 1 1 A 5 5 SER N N 5 116.900 113.052 3.848 1 1 26 . 8 1 1 A 6 6 PRO HA H 6 4.450 4.487 -0.037 1 1 29 . 8 1 1 A 6 6 PRO C C 6 176.700 177.777 -1.077 1 1 30 . 8 1 1 A 6 6 PRO CA C 6 63.000 63.134 -0.134 1 1 31 . 8 1 1 A 6 6 PRO CB C 6 32.000 32.219 -0.219 1 1 32 . 8 1 1 A 7 7 ALA H H 7 8.560 8.646 -0.086 1 1 33 . 8 1 1 A 7 7 ALA HA H 7 4.100 4.087 0.013 1 1 37 . 8 1 1 A 7 7 ALA C C 7 176.600 178.143 -1.543 1 1 38 . 8 1 1 A 7 7 ALA CA C 7 53.400 55.157 -1.757 1 1 39 . 8 1 1 A 7 7 ALA CB C 7 19.600 18.799 0.801 1 1 40 . 8 1 1 A 7 7 ALA N N 7 123.600 126.672 -3.072 1 1 41 . 8 1 1 A 8 8 ALA H H 8 7.410 7.734 -0.324 1 1 42 . 8 1 1 A 8 8 ALA HA H 8 4.680 5.491 -0.811 1 1 46 . 8 1 1 A 8 8 ALA C C 8 175.900 176.132 -0.232 1 1 47 . 8 1 1 A 8 8 ALA CA C 8 50.100 50.520 -0.420 1 1 48 . 8 1 1 A 8 8 ALA CB C 8 21.300 20.706 0.594 1 1 49 . 8 1 1 A 8 8 ALA N N 8 116.200 119.969 -3.769 1 1 50 . 8 1 1 A 9 9 THR H H 9 8.670 9.555 -0.885 1 1 51 . 8 1 1 A 9 9 THR HA H 9 4.330 5.134 -0.804 1 1 56 . 8 1 1 A 9 9 THR C C 9 174.400 173.063 1.337 1 1 57 . 8 1 1 A 9 9 THR CA C 9 62.600 60.001 2.599 1 1 58 . 8 1 1 A 9 9 THR CB C 9 70.100 71.244 -1.144 1 1 59 . 8 1 1 A 9 9 THR N N 9 119.900 118.418 1.482 1 1 60 . 8 1 1 A 10 10 THR H H 10 9.000 8.904 0.096 1 1 61 . 8 1 1 A 10 10 THR HA H 10 4.580 5.600 -1.020 1 1 66 . 8 1 1 A 10 10 THR C C 10 174.100 173.858 0.242 1 1 67 . 8 1 1 A 10 10 THR CA C 10 63.900 60.525 3.375 1 1 68 . 8 1 1 A 10 10 THR CB C 10 68.500 70.136 -1.636 1 1 69 . 8 1 1 A 10 10 THR N N 10 125.900 120.969 4.931 1 1 70 . 8 1 1 A 11 11 LEU H H 11 9.010 8.360 0.650 1 1 71 . 8 1 1 A 11 11 LEU HA H 11 4.970 4.704 0.266 1 1 77 . 8 1 1 A 11 11 LEU CA C 11 50.200 52.671 -2.471 1 1 78 . 8 1 1 A 11 11 LEU CB C 11 41.700 42.645 -0.945 1 1 79 . 8 1 1 A 11 11 LEU N N 11 127.200 123.797 3.403 1 1 80 . 8 1 1 A 12 12 PRO HA H 12 4.520 4.431 0.089 1 1 83 . 8 1 1 A 12 12 PRO C C 12 175.300 175.656 -0.356 1 1 84 . 8 1 1 A 12 12 PRO CA C 12 63.900 63.966 -0.066 1 1 85 . 8 1 1 A 12 12 PRO CB C 12 32.700 31.900 0.800 1 1 86 . 8 1 1 A 13 13 ASP H H 13 7.110 7.579 -0.469 1 1 87 . 8 1 1 A 13 13 ASP HA H 13 4.420 4.778 -0.358 1 1 90 . 8 1 1 A 13 13 ASP C C 13 175.400 176.580 -1.180 1 1 91 . 8 1 1 A 13 13 ASP CA C 13 52.300 53.147 -0.847 1 1 92 . 8 1 1 A 13 13 ASP CB C 13 42.000 44.916 -2.916 1 1 93 . 8 1 1 A 13 13 ASP N N 13 112.100 117.262 -5.162 1 1 94 . 8 1 1 A 14 14 GLY H H 14 9.120 9.000 0.120 1 1 95 . 8 1 1 A 14 14 GLY HA2 H 14 3.610 3.741 -0.131 1 1 96 . 8 1 1 A 14 14 GLY HA3 H 14 4.010 3.751 0.259 1 1 97 . 8 1 1 A 14 14 GLY C C 14 175.100 175.860 -0.760 1 1 98 . 8 1 1 A 14 14 GLY CA C 14 47.400 47.454 -0.054 1 1 99 . 8 1 1 A 14 14 GLY N N 14 106.600 110.169 -3.569 1 1 100 . 8 1 1 A 15 15 ALA H H 15 8.050 8.017 0.033 1 1 101 . 8 1 1 A 15 15 ALA HA H 15 4.170 3.996 0.174 1 1 105 . 8 1 1 A 15 15 ALA C C 15 180.500 179.725 0.775 1 1 106 . 8 1 1 A 15 15 ALA CA C 15 54.800 54.603 0.197 1 1 107 . 8 1 1 A 15 15 ALA CB C 15 17.600 17.955 -0.355 1 1 108 . 8 1 1 A 15 15 ALA N N 15 125.100 124.562 0.538 1 1 109 . 8 1 1 A 16 16 ALA H H 16 8.260 7.827 0.433 1 1 110 . 8 1 1 A 16 16 ALA HA H 16 4.170 4.015 0.155 1 1 114 . 8 1 1 A 16 16 ALA C C 16 180.500 179.285 1.215 1 1 115 . 8 1 1 A 16 16 ALA CA C 16 54.500 54.891 -0.391 1 1 116 . 8 1 1 A 16 16 ALA CB C 16 18.600 18.303 0.297 1 1 117 . 8 1 1 A 16 16 ALA N N 16 121.600 119.747 1.853 1 1 118 . 8 1 1 A 17 17 ALA H H 17 7.600 8.218 -0.618 1 1 119 . 8 1 1 A 17 17 ALA HA H 17 3.990 3.970 0.020 1 1 123 . 8 1 1 A 17 17 ALA C C 17 177.200 180.299 -3.099 1 1 124 . 8 1 1 A 17 17 ALA CA C 17 55.400 55.371 0.029 1 1 125 . 8 1 1 A 17 17 ALA CB C 17 18.700 18.196 0.504 1 1 126 . 8 1 1 A 17 17 ALA N N 17 120.600 120.310 0.290 1 1 127 . 8 1 1 A 18 18 GLU H H 18 8.450 7.701 0.749 1 1 128 . 8 1 1 A 18 18 GLU HA H 18 3.790 3.967 -0.177 1 1 132 . 8 1 1 A 18 18 GLU C C 18 178.800 178.632 0.168 1 1 133 . 8 1 1 A 18 18 GLU CA C 18 59.200 59.111 0.089 1 1 134 . 8 1 1 A 18 18 GLU CB C 18 29.500 29.531 -0.031 1 1 135 . 8 1 1 A 18 18 GLU N N 18 117.100 117.780 -0.680 1 1 136 . 8 1 1 A 19 19 SER H H 19 7.920 7.492 0.428 1 1 137 . 8 1 1 A 19 19 SER HA H 19 4.150 4.119 0.031 1 1 139 . 8 1 1 A 19 19 SER C C 19 176.800 176.640 0.160 1 1 140 . 8 1 1 A 19 19 SER CA C 19 61.300 61.697 -0.397 1 1 141 . 8 1 1 A 19 19 SER CB C 19 62.400 63.479 -1.079 1 1 142 . 8 1 1 A 19 19 SER N N 19 112.800 115.665 -2.865 1 1 143 . 8 1 1 A 20 20 LEU H H 20 7.460 7.611 -0.151 1 1 144 . 8 1 1 A 20 20 LEU HA H 20 4.020 3.926 0.094 1 1 153 . 8 1 1 A 20 20 LEU C C 20 179.200 179.027 0.173 1 1 154 . 8 1 1 A 20 20 LEU CA C 20 58.400 58.159 0.241 1 1 155 . 8 1 1 A 20 20 LEU CB C 20 41.600 41.289 0.311 1 1 156 . 8 1 1 A 20 20 LEU N N 20 123.000 119.194 3.806 1 1 157 . 8 1 1 A 21 21 VAL H H 21 7.980 8.070 -0.090 1 1 158 . 8 1 1 A 21 21 VAL HA H 21 3.090 3.465 -0.375 1 1 166 . 8 1 1 A 21 21 VAL C C 21 177.600 177.797 -0.197 1 1 167 . 8 1 1 A 21 21 VAL CA C 21 66.800 66.697 0.103 1 1 168 . 8 1 1 A 21 21 VAL CB C 21 31.600 31.645 -0.045 1 1 169 . 8 1 1 A 21 21 VAL N N 21 119.500 120.685 -1.185 1 1 170 . 8 1 1 A 22 22 GLU H H 22 8.180 8.967 -0.787 1 1 171 . 8 1 1 A 22 22 GLU HA H 22 4.040 4.083 -0.043 1 1 174 . 8 1 1 A 22 22 GLU C C 22 178.700 178.876 -0.176 1 1 175 . 8 1 1 A 22 22 GLU CA C 22 58.000 58.767 -0.767 1 1 176 . 8 1 1 A 22 22 GLU CB C 22 29.500 28.952 0.548 1 1 177 . 8 1 1 A 22 22 GLU N N 22 114.800 120.102 -5.302 1 1 178 . 8 1 1 A 23 23 SER H H 23 7.570 7.637 -0.067 1 1 179 . 8 1 1 A 23 23 SER HA H 23 4.360 4.312 0.048 1 1 182 . 8 1 1 A 23 23 SER C C 23 173.700 173.960 -0.260 1 1 183 . 8 1 1 A 23 23 SER CA C 23 59.800 60.157 -0.357 1 1 184 . 8 1 1 A 23 23 SER CB C 23 64.000 63.019 0.981 1 1 185 . 8 1 1 A 23 23 SER N N 23 112.500 114.656 -2.156 1 1 186 . 8 1 1 A 24 24 SER H H 24 7.080 8.407 -1.327 1 1 187 . 8 1 1 A 24 24 SER HA H 24 4.800 4.654 0.146 1 1 190 . 8 1 1 A 24 24 SER C C 24 172.800 174.292 -1.492 1 1 191 . 8 1 1 A 24 24 SER CA C 24 57.200 56.855 0.345 1 1 192 . 8 1 1 A 24 24 SER CB C 24 65.400 65.650 -0.250 1 1 193 . 8 1 1 A 24 24 SER N N 24 115.400 110.861 4.539 1 1 194 . 8 1 1 A 25 25 GLU H H 25 8.700 8.553 0.147 1 1 195 . 8 1 1 A 25 25 GLU HA H 25 3.970 4.001 -0.031 1 1 199 . 8 1 1 A 25 25 GLU C C 25 175.700 176.608 -0.908 1 1 200 . 8 1 1 A 25 25 GLU CA C 25 59.900 59.488 0.412 1 1 201 . 8 1 1 A 25 25 GLU CB C 25 30.300 29.626 0.674 1 1 202 . 8 1 1 A 25 25 GLU N N 25 124.500 124.101 0.399 1 1 203 . 8 1 1 A 26 26 VAL H H 26 7.320 7.990 -0.670 1 1 204 . 8 1 1 A 26 26 VAL HA H 26 5.000 4.736 0.264 1 1 212 . 8 1 1 A 26 26 VAL C C 26 174.300 174.329 -0.029 1 1 213 . 8 1 1 A 26 26 VAL CA C 26 60.500 60.363 0.137 1 1 214 . 8 1 1 A 26 26 VAL CB C 26 35.700 35.427 0.273 1 1 215 . 8 1 1 A 26 26 VAL N N 26 113.500 119.669 -6.169 1 1 216 . 8 1 1 A 27 27 ALA H H 27 9.130 8.609 0.521 1 1 217 . 8 1 1 A 27 27 ALA HA H 27 4.820 5.075 -0.255 1 1 221 . 8 1 1 A 27 27 ALA C C 27 175.000 175.191 -0.191 1 1 222 . 8 1 1 A 27 27 ALA CA C 27 51.200 50.936 0.264 1 1 223 . 8 1 1 A 27 27 ALA CB C 27 23.000 24.001 -1.001 1 1 224 . 8 1 1 A 27 27 ALA N N 27 127.200 127.067 0.133 1 1 225 . 8 1 1 A 28 28 VAL H H 28 7.980 8.562 -0.582 1 1 226 . 8 1 1 A 28 28 VAL HA H 28 5.080 5.255 -0.175 1 1 234 . 8 1 1 A 28 28 VAL C C 28 174.600 174.165 0.435 1 1 235 . 8 1 1 A 28 28 VAL CA C 28 60.800 59.376 1.424 1 1 236 . 8 1 1 A 28 28 VAL CB C 28 34.300 34.543 -0.243 1 1 237 . 8 1 1 A 28 28 VAL N N 28 120.100 118.475 1.625 1 1 238 . 8 1 1 A 29 29 ILE H H 29 9.080 9.562 -0.482 1 1 239 . 8 1 1 A 29 29 ILE HA H 29 4.780 5.950 -1.170 1 1 247 . 8 1 1 A 29 29 ILE C C 29 173.300 175.443 -2.143 1 1 248 . 8 1 1 A 29 29 ILE CA C 29 60.000 59.724 0.276 1 1 249 . 8 1 1 A 29 29 ILE CB C 29 40.300 41.252 -0.952 1 1 250 . 8 1 1 A 29 29 ILE N N 29 124.300 129.232 -4.932 1 1 251 . 8 1 1 A 30 30 GLY H H 30 8.610 9.692 -1.082 1 1 252 . 8 1 1 A 30 30 GLY HA2 H 30 1.910 4.341 -2.431 1 1 253 . 8 1 1 A 30 30 GLY HA3 H 30 3.960 4.497 -0.537 1 1 254 . 8 1 1 A 30 30 GLY C C 30 169.300 172.218 -2.918 1 1 255 . 8 1 1 A 30 30 GLY CA C 30 44.500 44.360 0.140 1 1 256 . 8 1 1 A 30 30 GLY N N 30 115.800 114.325 1.475 1 1 257 . 8 1 1 A 31 31 PHE H H 31 8.470 9.718 -1.248 1 1 258 . 8 1 1 A 31 31 PHE HA H 31 4.200 5.352 -1.152 1 1 261 . 8 1 1 A 31 31 PHE C C 31 172.800 175.067 -2.267 1 1 262 . 8 1 1 A 31 31 PHE CA C 31 55.000 56.756 -1.756 1 1 263 . 8 1 1 A 31 31 PHE CB C 31 36.500 39.760 -3.260 1 1 264 . 8 1 1 A 31 31 PHE N N 31 127.800 122.768 5.032 1 1 265 . 8 1 1 A 32 32 PHE H H 32 8.200 9.045 -0.845 1 1 266 . 8 1 1 A 32 32 PHE HA H 32 4.980 5.098 -0.118 1 1 269 . 8 1 1 A 32 32 PHE C C 32 174.400 175.222 -0.822 1 1 270 . 8 1 1 A 32 32 PHE CA C 32 55.700 56.266 -0.566 1 1 271 . 8 1 1 A 32 32 PHE CB C 32 42.900 43.132 -0.232 1 1 272 . 8 1 1 A 32 32 PHE N N 32 116.900 121.628 -4.728 1 1 273 . 8 1 1 A 33 33 LYS H H 33 9.420 8.802 0.618 1 1 274 . 8 1 1 A 33 33 LYS HA H 33 4.020 4.706 -0.686 1 1 279 . 8 1 1 A 33 33 LYS C C 33 176.700 176.194 0.506 1 1 280 . 8 1 1 A 33 33 LYS CA C 33 58.900 56.816 2.084 1 1 281 . 8 1 1 A 33 33 LYS CB C 33 31.900 34.641 -2.741 1 1 282 . 8 1 1 A 33 33 LYS N N 33 124.700 122.370 2.330 1 1 283 . 8 1 1 A 34 34 ASP H H 34 8.920 7.988 0.932 1 1 284 . 8 1 1 A 34 34 ASP HA H 34 5.020 5.033 -0.013 1 1 287 . 8 1 1 A 34 34 ASP C C 34 177.800 176.577 1.223 1 1 288 . 8 1 1 A 34 34 ASP CA C 34 51.700 52.892 -1.192 1 1 289 . 8 1 1 A 34 34 ASP CB C 34 41.800 40.859 0.941 1 1 290 . 8 1 1 A 34 34 ASP N N 34 117.300 119.344 -2.044 1 1 291 . 8 1 1 A 35 35 VAL H H 35 8.560 8.454 0.106 1 1 292 . 8 1 1 A 35 35 VAL HA H 35 3.790 3.863 -0.073 1 1 300 . 8 1 1 A 35 35 VAL C C 35 174.500 177.598 -3.098 1 1 301 . 8 1 1 A 35 35 VAL CA C 35 63.900 65.648 -1.748 1 1 302 . 8 1 1 A 35 35 VAL CB C 35 30.500 31.639 -1.139 1 1 303 . 8 1 1 A 35 35 VAL N N 35 120.700 123.739 -3.039 1 1 304 . 8 1 1 A 36 36 GLU H H 36 8.250 8.036 0.214 1 1 305 . 8 1 1 A 36 36 GLU HA H 36 4.390 4.308 0.082 1 1 309 . 8 1 1 A 36 36 GLU C C 36 176.600 177.101 -0.501 1 1 310 . 8 1 1 A 36 36 GLU CA C 36 54.800 58.004 -3.204 1 1 311 . 8 1 1 A 36 36 GLU CB C 36 29.200 29.822 -0.622 1 1 312 . 8 1 1 A 36 36 GLU N N 36 117.200 119.660 -2.460 1 1 313 . 8 1 1 A 37 37 SER H H 37 7.560 7.710 -0.150 1 1 314 . 8 1 1 A 37 37 SER HA H 37 4.300 4.394 -0.094 1 1 317 . 8 1 1 A 37 37 SER C C 37 174.000 175.738 -1.738 1 1 318 . 8 1 1 A 37 37 SER CA C 37 58.100 59.877 -1.777 1 1 319 . 8 1 1 A 37 37 SER CB C 37 65.400 63.866 1.534 1 1 320 . 8 1 1 A 37 37 SER N N 37 116.100 116.314 -0.214 1 1 321 . 8 1 1 A 38 38 ASP H H 38 8.920 8.998 -0.078 1 1 322 . 8 1 1 A 38 38 ASP HA H 38 4.290 4.229 0.061 1 1 324 . 8 1 1 A 38 38 ASP C C 38 179.200 178.461 0.739 1 1 325 . 8 1 1 A 38 38 ASP CA C 38 58.100 56.828 1.272 1 1 326 . 8 1 1 A 38 38 ASP CB C 38 40.100 39.864 0.236 1 1 327 . 8 1 1 A 38 38 ASP N N 38 121.400 125.116 -3.716 1 1 328 . 8 1 1 A 39 39 SER H H 39 8.500 8.383 0.117 1 1 329 . 8 1 1 A 39 39 SER HA H 39 4.050 4.587 -0.537 1 1 331 . 8 1 1 A 39 39 SER C C 39 174.500 176.792 -2.292 1 1 332 . 8 1 1 A 39 39 SER CA C 39 61.500 61.487 0.013 1 1 333 . 8 1 1 A 39 39 SER CB C 39 62.400 62.648 -0.248 1 1 334 . 8 1 1 A 39 39 SER N N 39 114.200 114.813 -0.613 1 1 335 . 8 1 1 A 40 40 ALA H H 40 6.970 7.945 -0.975 1 1 336 . 8 1 1 A 40 40 ALA HA H 40 2.380 3.256 -0.876 1 1 340 . 8 1 1 A 40 40 ALA C C 40 179.600 179.794 -0.194 1 1 341 . 8 1 1 A 40 40 ALA CA C 40 54.500 54.905 -0.405 1 1 342 . 8 1 1 A 40 40 ALA CB C 40 18.600 18.141 0.459 1 1 343 . 8 1 1 A 40 40 ALA N N 40 125.700 122.804 2.896 1 1 344 . 8 1 1 A 41 41 LYS H H 41 8.040 7.573 0.467 1 1 345 . 8 1 1 A 41 41 LYS HA H 41 3.830 3.911 -0.081 1 1 350 . 8 1 1 A 41 41 LYS C C 41 180.500 179.374 1.126 1 1 351 . 8 1 1 A 41 41 LYS CA C 41 60.000 59.403 0.597 1 1 352 . 8 1 1 A 41 41 LYS CB C 41 31.900 32.293 -0.393 1 1 353 . 8 1 1 A 41 41 LYS N N 41 115.800 117.144 -1.344 1 1 354 . 8 1 1 A 42 42 GLN H H 42 7.870 7.854 0.016 1 1 355 . 8 1 1 A 42 42 GLN HA H 42 3.780 4.017 -0.237 1 1 359 . 8 1 1 A 42 42 GLN C C 42 177.800 178.546 -0.746 1 1 360 . 8 1 1 A 42 42 GLN CA C 42 58.600 59.005 -0.405 1 1 361 . 8 1 1 A 42 42 GLN CB C 42 28.600 28.290 0.310 1 1 362 . 8 1 1 A 42 42 GLN N N 42 119.100 119.524 -0.424 1 1 363 . 8 1 1 A 43 43 PHE H H 43 7.710 7.885 -0.175 1 1 364 . 8 1 1 A 43 43 PHE HA H 43 3.850 3.977 -0.127 1 1 367 . 8 1 1 A 43 43 PHE C C 43 176.200 177.359 -1.159 1 1 368 . 8 1 1 A 43 43 PHE CA C 43 61.300 61.225 0.075 1 1 369 . 8 1 1 A 43 43 PHE CB C 43 39.000 39.204 -0.204 1 1 370 . 8 1 1 A 43 43 PHE N N 43 120.000 120.600 -0.600 1 1 371 . 8 1 1 A 44 44 LEU H H 44 8.360 7.967 0.393 1 1 372 . 8 1 1 A 44 44 LEU HA H 44 3.580 3.503 0.077 1 1 378 . 8 1 1 A 44 44 LEU C C 44 179.400 178.817 0.583 1 1 379 . 8 1 1 A 44 44 LEU CA C 44 57.400 57.769 -0.369 1 1 380 . 8 1 1 A 44 44 LEU CB C 44 40.900 41.291 -0.391 1 1 381 . 8 1 1 A 44 44 LEU N N 44 119.500 119.628 -0.128 1 1 382 . 8 1 1 A 45 45 GLN H H 45 7.660 8.333 -0.673 1 1 383 . 8 1 1 A 45 45 GLN HA H 45 3.900 3.906 -0.006 1 1 388 . 8 1 1 A 45 45 GLN C C 45 179.300 177.823 1.477 1 1 389 . 8 1 1 A 45 45 GLN CA C 45 58.700 58.499 0.201 1 1 390 . 8 1 1 A 45 45 GLN CB C 45 28.700 28.729 -0.029 1 1 391 . 8 1 1 A 45 45 GLN N N 45 117.700 118.213 -0.513 1 1 392 . 8 1 1 A 46 46 ALA H H 46 7.630 7.691 -0.061 1 1 393 . 8 1 1 A 46 46 ALA HA H 46 3.740 4.036 -0.296 1 1 397 . 8 1 1 A 46 46 ALA C C 46 177.100 179.148 -2.048 1 1 398 . 8 1 1 A 46 46 ALA CA C 46 55.300 54.722 0.578 1 1 399 . 8 1 1 A 46 46 ALA CB C 46 17.500 18.497 -0.997 1 1 400 . 8 1 1 A 46 46 ALA N N 46 123.700 121.579 2.121 1 1 401 . 8 1 1 A 47 47 ALA H H 47 7.330 7.760 -0.430 1 1 402 . 8 1 1 A 47 47 ALA HA H 47 1.790 2.505 -0.715 1 1 406 . 8 1 1 A 47 47 ALA C C 47 178.600 179.493 -0.893 1 1 407 . 8 1 1 A 47 47 ALA CA C 47 53.200 54.411 -1.211 1 1 408 . 8 1 1 A 47 47 ALA CB C 47 17.700 17.364 0.336 1 1 409 . 8 1 1 A 47 47 ALA N N 47 118.100 119.184 -1.084 1 1 410 . 8 1 1 A 48 48 GLU H H 48 7.020 7.473 -0.453 1 1 411 . 8 1 1 A 48 48 GLU HA H 48 3.840 3.939 -0.099 1 1 415 . 8 1 1 A 48 48 GLU C C 48 177.100 178.168 -1.068 1 1 416 . 8 1 1 A 48 48 GLU CA C 48 57.300 58.956 -1.656 1 1 417 . 8 1 1 A 48 48 GLU CB C 48 29.900 29.392 0.508 1 1 418 . 8 1 1 A 48 48 GLU N N 48 112.900 118.405 -5.505 1 1 419 . 8 1 1 A 49 49 ALA H H 49 7.250 7.603 -0.353 1 1 420 . 8 1 1 A 49 49 ALA HA H 49 4.250 4.101 0.149 1 1 424 . 8 1 1 A 49 49 ALA C C 49 176.900 177.529 -0.629 1 1 425 . 8 1 1 A 49 49 ALA CA C 49 52.600 54.325 -1.725 1 1 426 . 8 1 1 A 49 49 ALA CB C 49 20.100 18.652 1.448 1 1 427 . 8 1 1 A 49 49 ALA N N 49 119.800 120.580 -0.780 1 1 428 . 8 1 1 A 50 50 ILE H H 50 7.030 7.166 -0.136 1 1 429 . 8 1 1 A 50 50 ILE HA H 50 4.370 4.646 -0.276 1 1 439 . 8 1 1 A 50 50 ILE C C 50 174.300 175.833 -1.533 1 1 440 . 8 1 1 A 50 50 ILE CA C 50 59.700 59.555 0.145 1 1 441 . 8 1 1 A 50 50 ILE CB C 50 39.400 40.655 -1.255 1 1 442 . 8 1 1 A 50 50 ILE N N 50 119.300 114.393 4.907 1 1 443 . 8 1 1 A 51 51 ASP H H 51 8.390 8.914 -0.524 1 1 444 . 8 1 1 A 51 51 ASP HA H 51 4.830 5.109 -0.279 1 1 446 . 8 1 1 A 51 51 ASP C C 51 177.500 176.156 1.344 1 1 447 . 8 1 1 A 51 51 ASP CA C 51 54.300 53.688 0.612 1 1 448 . 8 1 1 A 51 51 ASP CB C 51 42.200 41.065 1.135 1 1 449 . 8 1 1 A 51 51 ASP N N 51 123.200 123.914 -0.714 1 1 450 . 8 1 1 A 52 52 ASP H H 52 8.530 8.146 0.384 1 1 451 . 8 1 1 A 52 52 ASP HA H 52 4.570 4.398 0.172 1 1 454 . 8 1 1 A 52 52 ASP C C 52 175.000 175.876 -0.876 1 1 455 . 8 1 1 A 52 52 ASP CA C 52 54.600 56.856 -2.256 1 1 456 . 8 1 1 A 52 52 ASP CB C 52 40.200 41.089 -0.889 1 1 457 . 8 1 1 A 52 52 ASP N N 52 116.000 119.630 -3.630 1 1 458 . 8 1 1 A 53 53 ILE H H 53 7.150 7.704 -0.554 1 1 459 . 8 1 1 A 53 53 ILE HA H 53 4.570 4.484 0.086 1 1 469 . 8 1 1 A 53 53 ILE CA C 53 57.700 57.326 0.374 1 1 470 . 8 1 1 A 53 53 ILE CB C 53 42.000 40.295 1.705 1 1 471 . 8 1 1 A 53 53 ILE N N 53 119.300 117.509 1.791 1 1 472 . 8 1 1 A 54 54 PRO C C 54 175.100 175.348 -0.248 1 1 473 . 8 1 1 A 54 54 PRO CA C 54 62.700 63.118 -0.418 1 1 474 . 8 1 1 A 54 54 PRO CB C 54 32.500 31.975 0.525 1 1 475 . 8 1 1 A 55 55 PHE H H 55 8.780 8.430 0.350 1 1 476 . 8 1 1 A 55 55 PHE HA H 55 5.840 5.813 0.027 1 1 479 . 8 1 1 A 55 55 PHE C C 55 176.900 175.295 1.605 1 1 480 . 8 1 1 A 55 55 PHE CA C 55 55.600 56.092 -0.492 1 1 481 . 8 1 1 A 55 55 PHE CB C 55 42.000 41.909 0.091 1 1 482 . 8 1 1 A 55 55 PHE N N 55 119.900 121.635 -1.735 1 1 483 . 8 1 1 A 56 56 GLY H H 56 9.510 9.722 -0.212 1 1 484 . 8 1 1 A 56 56 GLY HA2 H 56 3.350 4.349 -0.999 1 1 485 . 8 1 1 A 56 56 GLY HA3 H 56 5.620 4.373 1.247 1 1 486 . 8 1 1 A 56 56 GLY C C 56 170.800 172.663 -1.863 1 1 487 . 8 1 1 A 56 56 GLY CA C 56 43.400 43.881 -0.481 1 1 488 . 8 1 1 A 56 56 GLY N N 56 109.000 109.181 -0.181 1 1 489 . 8 1 1 A 57 57 ILE H H 57 8.930 8.548 0.382 1 1 490 . 8 1 1 A 57 57 ILE HA H 57 5.570 5.472 0.098 1 1 499 . 8 1 1 A 57 57 ILE C C 57 172.000 173.837 -1.837 1 1 500 . 8 1 1 A 57 57 ILE CA C 57 58.400 59.566 -1.166 1 1 501 . 8 1 1 A 57 57 ILE CB C 57 42.900 42.356 0.544 1 1 502 . 8 1 1 A 57 57 ILE N N 57 120.800 120.750 0.050 1 1 503 . 8 1 1 A 58 58 THR H H 58 8.660 8.707 -0.047 1 1 504 . 8 1 1 A 58 58 THR HA H 58 4.960 5.022 -0.062 1 1 509 . 8 1 1 A 58 58 THR C C 58 170.000 173.467 -3.467 1 1 510 . 8 1 1 A 58 58 THR CA C 58 60.100 59.724 0.376 1 1 511 . 8 1 1 A 58 58 THR CB C 58 72.100 70.845 1.255 1 1 512 . 8 1 1 A 58 58 THR N N 58 121.200 118.245 2.955 1 1 513 . 8 1 1 A 59 59 SER H H 59 8.710 8.929 -0.219 1 1 514 . 8 1 1 A 59 59 SER HA H 59 5.200 4.992 0.208 1 1 517 . 8 1 1 A 59 59 SER C C 59 173.900 174.177 -0.277 1 1 518 . 8 1 1 A 59 59 SER CA C 59 56.700 58.556 -1.856 1 1 519 . 8 1 1 A 59 59 SER CB C 59 65.700 65.279 0.421 1 1 520 . 8 1 1 A 59 59 SER N N 59 119.900 121.410 -1.510 1 1 521 . 8 1 1 A 60 60 ASN H H 60 8.030 7.688 0.342 1 1 522 . 8 1 1 A 60 60 ASN HA H 60 4.790 4.687 0.103 1 1 524 . 8 1 1 A 60 60 ASN CA C 60 53.200 53.324 -0.124 1 1 525 . 8 1 1 A 60 60 ASN CB C 60 39.500 40.575 -1.075 1 1 526 . 8 1 1 A 60 60 ASN N N 60 122.200 120.812 1.388 1 1 528 . 8 1 1 A 61 61 SER C C 61 175.900 176.482 -0.582 1 1 529 . 8 1 1 A 61 61 SER CA C 61 62.500 61.307 1.193 1 1 530 . 8 1 1 A 61 61 SER CB C 61 62.500 63.000 -0.500 1 1 531 . 8 1 1 A 62 62 ASP H H 62 8.630 8.038 0.592 1 1 532 . 8 1 1 A 62 62 ASP HA H 62 4.530 4.337 0.193 1 1 535 . 8 1 1 A 62 62 ASP C C 62 179.000 178.978 0.022 1 1 536 . 8 1 1 A 62 62 ASP CA C 62 57.400 57.291 0.109 1 1 537 . 8 1 1 A 62 62 ASP CB C 62 40.000 40.185 -0.185 1 1 538 . 8 1 1 A 62 62 ASP N N 62 122.200 122.142 0.058 1 1 539 . 8 1 1 A 63 63 VAL H H 63 8.030 7.578 0.452 1 1 540 . 8 1 1 A 63 63 VAL HA H 63 3.750 3.476 0.274 1 1 548 . 8 1 1 A 63 63 VAL C C 63 177.900 178.311 -0.411 1 1 549 . 8 1 1 A 63 63 VAL CA C 63 65.800 66.398 -0.598 1 1 550 . 8 1 1 A 63 63 VAL CB C 63 30.700 31.552 -0.852 1 1 551 . 8 1 1 A 63 63 VAL N N 63 122.400 119.981 2.419 1 1 552 . 8 1 1 A 64 64 PHE H H 64 7.980 7.408 0.572 1 1 553 . 8 1 1 A 64 64 PHE HA H 64 4.200 4.731 -0.531 1 1 556 . 8 1 1 A 64 64 PHE C C 64 178.800 178.495 0.305 1 1 557 . 8 1 1 A 64 64 PHE CA C 64 61.700 60.459 1.241 1 1 558 . 8 1 1 A 64 64 PHE CB C 64 37.500 38.834 -1.334 1 1 559 . 8 1 1 A 64 64 PHE N N 64 120.100 119.551 0.549 1 1 560 . 8 1 1 A 65 65 SER H H 65 8.090 8.152 -0.062 1 1 561 . 8 1 1 A 65 65 SER HA H 65 4.210 4.206 0.004 1 1 563 . 8 1 1 A 65 65 SER C C 65 177.800 176.105 1.695 1 1 564 . 8 1 1 A 65 65 SER CA C 65 61.600 62.175 -0.575 1 1 565 . 8 1 1 A 65 65 SER CB C 65 62.300 62.892 -0.592 1 1 566 . 8 1 1 A 65 65 SER N N 65 112.100 115.379 -3.279 1 1 567 . 8 1 1 A 66 66 LYS H H 66 7.650 7.726 -0.076 1 1 568 . 8 1 1 A 66 66 LYS HA H 66 3.870 3.987 -0.117 1 1 572 . 8 1 1 A 66 66 LYS C C 66 176.700 177.719 -1.019 1 1 573 . 8 1 1 A 66 66 LYS CA C 66 58.900 58.988 -0.088 1 1 574 . 8 1 1 A 66 66 LYS CB C 66 32.700 31.797 0.903 1 1 575 . 8 1 1 A 66 66 LYS N N 66 124.100 122.321 1.779 1 1 576 . 8 1 1 A 67 67 TYR H H 67 7.040 7.488 -0.448 1 1 577 . 8 1 1 A 67 67 TYR HA H 67 4.640 4.698 -0.058 1 1 580 . 8 1 1 A 67 67 TYR C C 67 173.600 174.843 -1.243 1 1 581 . 8 1 1 A 67 67 TYR CA C 67 58.400 57.849 0.551 1 1 582 . 8 1 1 A 67 67 TYR CB C 67 37.700 39.289 -1.589 1 1 583 . 8 1 1 A 67 67 TYR N N 67 113.800 114.799 -0.999 1 1 584 . 8 1 1 A 68 68 GLN H H 68 7.850 8.113 -0.263 1 1 585 . 8 1 1 A 68 68 GLN HA H 68 3.830 3.875 -0.045 1 1 588 . 8 1 1 A 68 68 GLN C C 68 174.700 174.216 0.484 1 1 589 . 8 1 1 A 68 68 GLN CA C 68 57.400 57.059 0.341 1 1 590 . 8 1 1 A 68 68 GLN CB C 68 25.000 26.642 -1.642 1 1 591 . 8 1 1 A 68 68 GLN N N 68 113.700 117.366 -3.666 1 1 592 . 8 1 1 A 69 69 LEU H H 69 8.070 8.457 -0.387 1 1 593 . 8 1 1 A 69 69 LEU HA H 69 4.530 5.036 -0.506 1 1 602 . 8 1 1 A 69 69 LEU C C 69 176.800 175.095 1.705 1 1 603 . 8 1 1 A 69 69 LEU CA C 69 54.900 53.489 1.411 1 1 604 . 8 1 1 A 69 69 LEU CB C 69 43.200 46.337 -3.137 1 1 605 . 8 1 1 A 69 69 LEU N N 69 120.800 118.568 2.232 1 1 606 . 8 1 1 A 70 70 ASP H H 70 8.580 8.519 0.061 1 1 607 . 8 1 1 A 70 70 ASP HA H 70 4.650 4.928 -0.278 1 1 610 . 8 1 1 A 70 70 ASP C C 70 174.800 175.552 -0.752 1 1 611 . 8 1 1 A 70 70 ASP CA C 70 53.200 53.379 -0.179 1 1 612 . 8 1 1 A 70 70 ASP CB C 70 41.600 41.539 0.061 1 1 613 . 8 1 1 A 70 70 ASP N N 70 120.400 118.906 1.494 1 1 614 . 8 1 1 A 71 71 LYS H H 71 7.720 7.326 0.394 1 1 615 . 8 1 1 A 71 71 LYS HA H 71 4.550 4.580 -0.030 1 1 619 . 8 1 1 A 71 71 LYS C C 71 173.100 175.678 -2.578 1 1 620 . 8 1 1 A 71 71 LYS CA C 71 54.300 54.546 -0.246 1 1 621 . 8 1 1 A 71 71 LYS CB C 71 34.100 36.943 -2.843 1 1 622 . 8 1 1 A 71 71 LYS N N 71 117.300 119.520 -2.220 1 1 623 . 8 1 1 A 72 72 ASP H H 72 7.780 8.602 -0.822 1 1 624 . 8 1 1 A 72 72 ASP HA H 72 4.650 4.419 0.231 1 1 627 . 8 1 1 A 72 72 ASP C C 72 177.600 175.740 1.860 1 1 628 . 8 1 1 A 72 72 ASP CA C 72 54.500 54.013 0.487 1 1 629 . 8 1 1 A 72 72 ASP CB C 72 41.500 41.526 -0.026 1 1 630 . 8 1 1 A 72 72 ASP N N 72 116.900 121.669 -4.769 1 1 631 . 8 1 1 A 73 73 GLY H H 73 8.660 8.627 0.033 1 1 632 . 8 1 1 A 73 73 GLY HA2 H 73 3.890 4.023 -0.133 1 1 633 . 8 1 1 A 73 73 GLY C C 73 169.700 172.467 -2.767 1 1 634 . 8 1 1 A 73 73 GLY CA C 73 45.500 44.748 0.752 1 1 635 . 8 1 1 A 73 73 GLY N N 73 107.400 107.050 0.350 1 1 636 . 8 1 1 A 74 74 VAL H H 74 8.490 8.281 0.209 1 1 637 . 8 1 1 A 74 74 VAL HA H 74 4.840 5.182 -0.342 1 1 642 . 8 1 1 A 74 74 VAL C C 74 173.500 174.882 -1.382 1 1 643 . 8 1 1 A 74 74 VAL CA C 74 61.300 60.940 0.360 1 1 644 . 8 1 1 A 74 74 VAL CB C 74 35.500 33.941 1.559 1 1 645 . 8 1 1 A 74 74 VAL N N 74 117.900 120.995 -3.095 1 1 646 . 8 1 1 A 75 75 VAL H H 75 8.930 9.839 -0.909 1 1 647 . 8 1 1 A 75 75 VAL HA H 75 4.580 5.289 -0.709 1 1 655 . 8 1 1 A 75 75 VAL C C 75 172.700 173.714 -1.014 1 1 656 . 8 1 1 A 75 75 VAL CA C 75 61.100 60.468 0.632 1 1 657 . 8 1 1 A 75 75 VAL CB C 75 35.600 35.991 -0.391 1 1 658 . 8 1 1 A 75 75 VAL N N 75 126.900 126.774 0.126 1 1 659 . 8 1 1 A 76 76 LEU H H 76 8.690 8.807 -0.117 1 1 660 . 8 1 1 A 76 76 LEU HA H 76 4.980 5.110 -0.130 1 1 666 . 8 1 1 A 76 76 LEU C C 76 173.400 174.642 -1.242 1 1 667 . 8 1 1 A 76 76 LEU CA C 76 54.200 53.390 0.810 1 1 668 . 8 1 1 A 76 76 LEU CB C 76 46.000 44.354 1.646 1 1 669 . 8 1 1 A 76 76 LEU N N 76 128.000 128.774 -0.774 1 1 670 . 8 1 1 A 77 77 PHE H H 77 9.600 9.868 -0.268 1 1 671 . 8 1 1 A 77 77 PHE HA H 77 4.930 5.681 -0.751 1 1 674 . 8 1 1 A 77 77 PHE C C 77 173.800 174.436 -0.636 1 1 675 . 8 1 1 A 77 77 PHE CA C 77 56.800 57.098 -0.298 1 1 676 . 8 1 1 A 77 77 PHE CB C 77 42.100 40.954 1.146 1 1 677 . 8 1 1 A 77 77 PHE N N 77 126.500 126.172 0.328 1 1 678 . 8 1 1 A 78 78 LYS H H 78 8.410 8.637 -0.227 1 1 679 . 8 1 1 A 78 78 LYS HA H 78 5.410 4.812 0.598 1 1 684 . 8 1 1 A 78 78 LYS C C 78 176.600 176.134 0.466 1 1 685 . 8 1 1 A 78 78 LYS CA C 78 53.500 54.280 -0.780 1 1 686 . 8 1 1 A 78 78 LYS CB C 78 34.600 35.730 -1.130 1 1 687 . 8 1 1 A 78 78 LYS N N 78 115.800 121.096 -5.296 1 1 688 . 8 1 1 A 79 79 LYS H H 79 8.010 8.347 -0.337 1 1 689 . 8 1 1 A 79 79 LYS HA H 79 4.370 3.928 0.442 1 1 693 . 8 1 1 A 79 79 LYS C C 79 175.000 176.723 -1.723 1 1 694 . 8 1 1 A 79 79 LYS CA C 79 56.000 59.745 -3.745 1 1 695 . 8 1 1 A 79 79 LYS CB C 79 31.900 32.390 -0.490 1 1 696 . 8 1 1 A 79 79 LYS N N 79 121.400 123.307 -1.907 1 1 697 . 8 1 1 A 80 80 PHE H H 80 6.620 7.428 -0.808 1 1 698 . 8 1 1 A 80 80 PHE HA H 80 4.880 5.014 -0.134 1 1 700 . 8 1 1 A 80 80 PHE C C 80 174.000 174.849 -0.849 1 1 701 . 8 1 1 A 80 80 PHE CA C 80 54.400 55.501 -1.101 1 1 702 . 8 1 1 A 80 80 PHE CB C 80 40.400 41.093 -0.693 1 1 703 . 8 1 1 A 80 80 PHE N N 80 113.500 115.502 -2.002 1 1 704 . 8 1 1 A 81 81 ASP H H 81 8.980 9.102 -0.122 1 1 705 . 8 1 1 A 81 81 ASP HA H 81 4.270 4.551 -0.281 1 1 708 . 8 1 1 A 81 81 ASP C C 81 176.600 176.728 -0.128 1 1 709 . 8 1 1 A 81 81 ASP CA C 81 56.000 56.141 -0.141 1 1 710 . 8 1 1 A 81 81 ASP CB C 81 40.200 40.209 -0.009 1 1 711 . 8 1 1 A 81 81 ASP N N 81 117.700 118.859 -1.159 1 1 712 . 8 1 1 A 82 82 GLU H H 82 10.320 8.869 1.451 1 1 713 . 8 1 1 A 82 82 GLU HA H 82 4.340 4.244 0.096 1 1 716 . 8 1 1 A 82 82 GLU C C 82 178.700 177.193 1.507 1 1 717 . 8 1 1 A 82 82 GLU CA C 82 58.200 56.571 1.629 1 1 718 . 8 1 1 A 82 82 GLU CB C 82 28.600 30.165 -1.565 1 1 719 . 8 1 1 A 82 82 GLU N N 82 123.900 125.453 -1.553 1 1 720 . 8 1 1 A 83 83 GLY H H 83 7.780 9.063 -1.283 1 1 721 . 8 1 1 A 83 83 GLY HA2 H 83 4.150 3.950 0.200 1 1 722 . 8 1 1 A 83 83 GLY HA3 H 83 4.290 3.966 0.324 1 1 723 . 8 1 1 A 83 83 GLY C C 83 174.400 173.332 1.068 1 1 724 . 8 1 1 A 83 83 GLY CA C 83 46.600 45.523 1.077 1 1 725 . 8 1 1 A 83 83 GLY N N 83 109.200 108.940 0.260 1 1 726 . 8 1 1 A 84 84 ARG H H 84 7.200 7.510 -0.310 1 1 727 . 8 1 1 A 84 84 ARG HA H 84 5.210 5.461 -0.251 1 1 731 . 8 1 1 A 84 84 ARG C C 84 174.000 174.227 -0.227 1 1 732 . 8 1 1 A 84 84 ARG CA C 84 55.000 54.280 0.720 1 1 733 . 8 1 1 A 84 84 ARG CB C 84 32.500 33.090 -0.590 1 1 734 . 8 1 1 A 84 84 ARG N N 84 121.000 115.767 5.233 1 1 735 . 8 1 1 A 85 85 ASN H H 85 9.270 9.030 0.240 1 1 736 . 8 1 1 A 85 85 ASN HA H 85 5.000 5.317 -0.317 1 1 739 . 8 1 1 A 85 85 ASN C C 85 172.900 173.734 -0.834 1 1 740 . 8 1 1 A 85 85 ASN CA C 85 53.800 51.955 1.845 1 1 741 . 8 1 1 A 85 85 ASN CB C 85 43.600 40.055 3.545 1 1 742 . 8 1 1 A 85 85 ASN N N 85 121.600 121.150 0.450 1 1 743 . 8 1 1 A 86 86 ASN H H 86 9.150 8.956 0.194 1 1 744 . 8 1 1 A 86 86 ASN HA H 86 5.000 5.321 -0.321 1 1 746 . 8 1 1 A 86 86 ASN C C 86 174.400 175.582 -1.182 1 1 747 . 8 1 1 A 86 86 ASN CA C 86 52.400 52.950 -0.550 1 1 748 . 8 1 1 A 86 86 ASN CB C 86 38.600 39.375 -0.775 1 1 749 . 8 1 1 A 86 86 ASN N N 86 123.200 123.515 -0.315 1 1 750 . 8 1 1 A 87 87 PHE H H 87 8.380 9.586 -1.206 1 1 751 . 8 1 1 A 87 87 PHE HA H 87 3.460 4.411 -0.951 1 1 754 . 8 1 1 A 87 87 PHE C C 87 174.600 176.437 -1.837 1 1 755 . 8 1 1 A 87 87 PHE CA C 87 59.000 58.744 0.256 1 1 756 . 8 1 1 A 87 87 PHE CB C 87 39.000 39.905 -0.905 1 1 757 . 8 1 1 A 87 87 PHE N N 87 124.900 126.583 -1.683 1 1 758 . 8 1 1 A 88 88 GLU H H 88 7.450 8.737 -1.287 1 1 759 . 8 1 1 A 88 88 GLU HA H 88 4.270 3.938 0.332 1 1 763 . 8 1 1 A 88 88 GLU C C 88 173.900 177.437 -3.537 1 1 764 . 8 1 1 A 88 88 GLU CA C 88 54.800 59.658 -4.858 1 1 765 . 8 1 1 A 88 88 GLU CB C 88 31.700 30.009 1.691 1 1 766 . 8 1 1 A 88 88 GLU N N 88 128.600 125.260 3.340 1 1 767 . 8 1 1 A 89 89 GLY H H 89 7.050 7.483 -0.433 1 1 768 . 8 1 1 A 89 89 GLY HA2 H 89 3.700 3.929 -0.229 1 1 769 . 8 1 1 A 89 89 GLY HA3 H 89 3.840 3.939 -0.099 1 1 770 . 8 1 1 A 89 89 GLY C C 89 172.600 174.398 -1.798 1 1 771 . 8 1 1 A 89 89 GLY CA C 89 43.400 45.433 -2.033 1 1 772 . 8 1 1 A 89 89 GLY N N 89 108.600 106.904 1.696 1 1 773 . 8 1 1 A 90 90 GLU H H 90 8.450 7.847 0.603 1 1 774 . 8 1 1 A 90 90 GLU HA H 90 4.290 4.170 0.120 1 1 778 . 8 1 1 A 90 90 GLU C C 90 177.400 175.487 1.913 1 1 779 . 8 1 1 A 90 90 GLU CA C 90 56.200 56.848 -0.648 1 1 780 . 8 1 1 A 90 90 GLU CB C 90 29.900 30.194 -0.294 1 1 781 . 8 1 1 A 90 90 GLU N N 90 120.400 121.694 -1.294 1 1 782 . 8 1 1 A 91 91 VAL H H 91 9.140 8.471 0.669 1 1 783 . 8 1 1 A 91 91 VAL HA H 91 3.730 4.303 -0.573 1 1 791 . 8 1 1 A 91 91 VAL C C 91 173.600 175.248 -1.648 1 1 792 . 8 1 1 A 91 91 VAL CA C 91 64.400 61.195 3.205 1 1 793 . 8 1 1 A 91 91 VAL CB C 91 29.800 32.714 -2.914 1 1 794 . 8 1 1 A 91 91 VAL N N 91 126.500 124.198 2.302 1 1 795 . 8 1 1 A 92 92 THR H H 92 7.210 8.574 -1.364 1 1 796 . 8 1 1 A 92 92 THR HA H 92 4.630 4.751 -0.121 1 1 801 . 8 1 1 A 92 92 THR C C 92 174.100 175.038 -0.938 1 1 802 . 8 1 1 A 92 92 THR CA C 92 58.000 61.210 -3.210 1 1 803 . 8 1 1 A 92 92 THR CB C 92 72.400 71.546 0.854 1 1 804 . 8 1 1 A 92 92 THR N N 92 117.900 121.004 -3.104 1 1 805 . 8 1 1 A 93 93 LYS H H 93 9.360 8.887 0.473 1 1 806 . 8 1 1 A 93 93 LYS HA H 93 3.680 4.056 -0.376 1 1 810 . 8 1 1 A 93 93 LYS C C 93 177.100 178.337 -1.237 1 1 811 . 8 1 1 A 93 93 LYS CA C 93 60.700 59.089 1.611 1 1 812 . 8 1 1 A 93 93 LYS CB C 93 32.100 31.915 0.185 1 1 813 . 8 1 1 A 93 93 LYS N N 93 124.100 124.890 -0.790 1 1 814 . 8 1 1 A 94 94 GLU H H 94 9.120 8.026 1.094 1 1 815 . 8 1 1 A 94 94 GLU HA H 94 3.900 4.120 -0.220 1 1 819 . 8 1 1 A 94 94 GLU C C 94 179.100 179.085 0.015 1 1 820 . 8 1 1 A 94 94 GLU CA C 94 60.700 59.108 1.592 1 1 821 . 8 1 1 A 94 94 GLU CB C 94 28.700 29.787 -1.087 1 1 822 . 8 1 1 A 94 94 GLU N N 94 116.600 119.546 -2.946 1 1 823 . 8 1 1 A 95 95 ASN H H 95 8.020 8.286 -0.266 1 1 824 . 8 1 1 A 95 95 ASN HA H 95 4.650 4.584 0.066 1 1 827 . 8 1 1 A 95 95 ASN C C 95 179.700 178.377 1.323 1 1 828 . 8 1 1 A 95 95 ASN CA C 95 55.300 56.743 -1.443 1 1 829 . 8 1 1 A 95 95 ASN CB C 95 37.500 38.642 -1.142 1 1 830 . 8 1 1 A 95 95 ASN N N 95 118.100 119.413 -1.313 1 1 831 . 8 1 1 A 96 96 LEU H H 96 8.550 8.300 0.250 1 1 832 . 8 1 1 A 96 96 LEU HA H 96 3.960 4.787 -0.827 1 1 842 . 8 1 1 A 96 96 LEU C C 96 178.400 179.392 -0.992 1 1 843 . 8 1 1 A 96 96 LEU CA C 96 57.500 58.381 -0.881 1 1 844 . 8 1 1 A 96 96 LEU CB C 96 42.200 41.420 0.780 1 1 845 . 8 1 1 A 96 96 LEU N N 96 121.600 117.997 3.603 1 1 846 . 8 1 1 A 97 97 LEU H H 97 8.500 8.098 0.402 1 1 847 . 8 1 1 A 97 97 LEU HA H 97 4.010 4.079 -0.069 1 1 853 . 8 1 1 A 97 97 LEU C C 97 179.200 179.256 -0.056 1 1 854 . 8 1 1 A 97 97 LEU CA C 97 58.900 58.183 0.717 1 1 855 . 8 1 1 A 97 97 LEU CB C 97 40.900 41.312 -0.412 1 1 856 . 8 1 1 A 97 97 LEU N N 97 120.100 120.026 0.074 1 1 857 . 8 1 1 A 98 98 ASP H H 98 7.660 8.102 -0.442 1 1 858 . 8 1 1 A 98 98 ASP HA H 98 4.410 4.184 0.226 1 1 861 . 8 1 1 A 98 98 ASP C C 98 177.800 178.208 -0.408 1 1 862 . 8 1 1 A 98 98 ASP CA C 98 57.700 57.117 0.583 1 1 863 . 8 1 1 A 98 98 ASP CB C 98 41.100 40.818 0.282 1 1 864 . 8 1 1 A 98 98 ASP N N 98 118.700 119.356 -0.656 1 1 865 . 8 1 1 A 99 99 PHE H H 99 7.900 8.201 -0.301 1 1 866 . 8 1 1 A 99 99 PHE HA H 99 4.530 4.022 0.508 1 1 869 . 8 1 1 A 99 99 PHE C C 99 177.600 177.220 0.380 1 1 870 . 8 1 1 A 99 99 PHE CA C 99 60.400 61.256 -0.856 1 1 871 . 8 1 1 A 99 99 PHE CB C 99 39.800 38.857 0.943 1 1 872 . 8 1 1 A 99 99 PHE N N 99 120.800 120.373 0.427 1 1 873 . 8 1 1 A 100 100 ILE H H 100 8.780 8.712 0.068 1 1 874 . 8 1 1 A 100 100 ILE HA H 100 3.120 3.649 -0.529 1 1 883 . 8 1 1 A 100 100 ILE C C 100 177.400 178.071 -0.671 1 1 884 . 8 1 1 A 100 100 ILE CA C 100 65.500 65.025 0.475 1 1 885 . 8 1 1 A 100 100 ILE CB C 100 38.500 37.837 0.663 1 1 886 . 8 1 1 A 100 100 ILE N N 100 121.400 121.021 0.379 1 1 887 . 8 1 1 A 101 101 LYS H H 101 8.210 8.258 -0.048 1 1 888 . 8 1 1 A 101 101 LYS HA H 101 4.200 4.021 0.179 1 1 893 . 8 1 1 A 101 101 LYS C C 101 179.400 179.086 0.314 1 1 894 . 8 1 1 A 101 101 LYS CA C 101 59.300 59.141 0.159 1 1 895 . 8 1 1 A 101 101 LYS CB C 101 31.800 32.132 -0.332 1 1 896 . 8 1 1 A 101 101 LYS N N 101 117.900 121.008 -3.108 1 1 897 . 8 1 1 A 102 102 HIS H H 102 7.870 8.434 -0.564 1 1 898 . 8 1 1 A 102 102 HIS HA H 102 4.420 4.340 0.080 1 1 900 . 8 1 1 A 102 102 HIS C C 102 175.900 176.971 -1.071 1 1 901 . 8 1 1 A 102 102 HIS CA C 102 58.400 59.944 -1.544 1 1 902 . 8 1 1 A 102 102 HIS CB C 102 30.100 30.108 -0.008 1 1 903 . 8 1 1 A 102 102 HIS N N 102 113.900 117.299 -3.399 1 1 904 . 8 1 1 A 103 103 ASN H H 103 7.270 8.242 -0.972 1 1 905 . 8 1 1 A 103 103 ASN HA H 103 4.840 4.364 0.476 1 1 908 . 8 1 1 A 103 103 ASN C C 103 174.500 176.911 -2.411 1 1 909 . 8 1 1 A 103 103 ASN CA C 103 54.400 54.430 -0.030 1 1 910 . 8 1 1 A 103 103 ASN CB C 103 41.100 38.429 2.671 1 1 911 . 8 1 1 A 103 103 ASN N N 103 113.900 116.619 -2.719 1 1 912 . 8 1 1 A 104 104 GLN H H 104 7.650 8.103 -0.453 1 1 913 . 8 1 1 A 104 104 GLN HA H 104 4.250 4.140 0.110 1 1 917 . 8 1 1 A 104 104 GLN C C 104 173.800 175.503 -1.703 1 1 918 . 8 1 1 A 104 104 GLN CA C 104 57.400 57.182 0.218 1 1 919 . 8 1 1 A 104 104 GLN CB C 104 28.900 28.529 0.371 1 1 920 . 8 1 1 A 104 104 GLN N N 104 115.000 118.470 -3.470 1 1 921 . 8 1 1 A 105 105 LEU H H 105 7.500 7.403 0.097 1 1 922 . 8 1 1 A 105 105 LEU HA H 105 4.720 4.750 -0.030 1 1 927 . 8 1 1 A 105 105 LEU CA C 105 51.800 52.322 -0.522 1 1 928 . 8 1 1 A 105 105 LEU CB C 105 42.100 43.867 -1.767 1 1 929 . 8 1 1 A 105 105 LEU N N 105 119.700 121.189 -1.489 1 1 930 . 8 1 1 A 106 106 PRO HA H 106 4.380 4.818 -0.438 1 1 931 . 8 1 1 A 106 106 PRO C C 106 175.600 177.395 -1.795 1 1 932 . 8 1 1 A 106 106 PRO CA C 106 61.700 62.425 -0.725 1 1 933 . 8 1 1 A 106 106 PRO CB C 106 31.800 32.754 -0.954 1 1 934 . 8 1 1 A 107 107 LEU H H 107 9.440 8.397 1.043 1 1 935 . 8 1 1 A 107 107 LEU HA H 107 3.980 4.189 -0.209 1 1 941 . 8 1 1 A 107 107 LEU C C 107 177.100 176.006 1.094 1 1 942 . 8 1 1 A 107 107 LEU CA C 107 57.800 56.962 0.838 1 1 943 . 8 1 1 A 107 107 LEU CB C 107 42.700 42.647 0.053 1 1 944 . 8 1 1 A 107 107 LEU N N 107 123.400 119.535 3.865 1 1 945 . 8 1 1 A 108 108 VAL H H 108 7.730 7.407 0.323 1 1 946 . 8 1 1 A 108 108 VAL HA H 108 5.010 4.969 0.041 1 1 951 . 8 1 1 A 108 108 VAL C C 108 174.800 174.239 0.561 1 1 952 . 8 1 1 A 108 108 VAL CA C 108 59.400 59.082 0.318 1 1 953 . 8 1 1 A 108 108 VAL CB C 108 34.400 35.628 -1.228 1 1 954 . 8 1 1 A 108 108 VAL N N 108 109.700 112.952 -3.252 1 1 955 . 8 1 1 A 109 109 ILE H H 109 8.700 8.718 -0.018 1 1 956 . 8 1 1 A 109 109 ILE HA H 109 4.210 4.960 -0.750 1 1 965 . 8 1 1 A 109 109 ILE C C 109 173.500 172.448 1.052 1 1 966 . 8 1 1 A 109 109 ILE CA C 109 59.900 58.834 1.066 1 1 967 . 8 1 1 A 109 109 ILE CB C 109 41.600 42.564 -0.964 1 1 968 . 8 1 1 A 109 109 ILE N N 109 124.500 122.972 1.528 1 1 969 . 8 1 1 A 110 110 GLU H H 110 8.410 8.170 0.240 1 1 970 . 8 1 1 A 110 110 GLU HA H 110 3.430 3.655 -0.225 1 1 973 . 8 1 1 A 110 110 GLU C C 110 176.000 176.300 -0.300 1 1 974 . 8 1 1 A 110 110 GLU CA C 110 54.700 55.840 -1.140 1 1 975 . 8 1 1 A 110 110 GLU CB C 110 29.800 30.261 -0.461 1 1 976 . 8 1 1 A 110 110 GLU N N 110 128.200 129.022 -0.822 1 1 977 . 8 1 1 A 111 111 PHE H H 111 8.680 9.102 -0.422 1 1 978 . 8 1 1 A 111 111 PHE HA H 111 3.850 4.643 -0.793 1 1 981 . 8 1 1 A 111 111 PHE C C 111 173.600 174.913 -1.313 1 1 982 . 8 1 1 A 111 111 PHE CA C 111 59.500 58.549 0.951 1 1 983 . 8 1 1 A 111 111 PHE CB C 111 40.200 39.330 0.870 1 1 984 . 8 1 1 A 111 111 PHE N N 111 128.800 126.974 1.826 1 1 985 . 8 1 1 A 112 112 THR H H 112 7.310 8.484 -1.174 1 1 986 . 8 1 1 A 112 112 THR HA H 112 4.500 4.708 -0.208 1 1 991 . 8 1 1 A 112 112 THR C C 112 173.700 174.060 -0.360 1 1 992 . 8 1 1 A 112 112 THR CA C 112 59.200 60.208 -1.008 1 1 993 . 8 1 1 A 112 112 THR CB C 112 73.500 70.243 3.257 1 1 994 . 8 1 1 A 112 112 THR N N 112 119.800 119.080 0.720 1 1 995 . 8 1 1 A 113 113 GLU H H 113 8.930 8.923 0.007 1 1 996 . 8 1 1 A 113 113 GLU HA H 113 3.890 3.930 -0.040 1 1 1000 . 8 1 1 A 113 113 GLU C C 113 178.100 178.210 -0.110 1 1 1001 . 8 1 1 A 113 113 GLU CA C 113 59.100 59.021 0.079 1 1 1002 . 8 1 1 A 113 113 GLU CB C 113 29.200 28.910 0.290 1 1 1003 . 8 1 1 A 113 113 GLU N N 113 120.100 123.899 -3.799 1 1 1004 . 8 1 1 A 114 114 GLN H H 114 7.940 8.118 -0.178 1 1 1005 . 8 1 1 A 114 114 GLN HA H 114 4.130 4.007 0.123 1 1 1008 . 8 1 1 A 114 114 GLN C C 114 177.800 177.903 -0.103 1 1 1009 . 8 1 1 A 114 114 GLN CA C 114 58.200 58.350 -0.150 1 1 1010 . 8 1 1 A 114 114 GLN CB C 114 28.600 28.047 0.553 1 1 1011 . 8 1 1 A 114 114 GLN N N 114 114.800 118.862 -4.062 1 1 1012 . 8 1 1 A 115 115 THR H H 115 7.500 7.869 -0.369 1 1 1013 . 8 1 1 A 115 115 THR HA H 115 4.180 3.820 0.360 1 1 1018 . 8 1 1 A 115 115 THR C C 115 175.800 176.105 -0.305 1 1 1019 . 8 1 1 A 115 115 THR CA C 115 61.900 66.420 -4.520 1 1 1020 . 8 1 1 A 115 115 THR CB C 115 69.400 68.612 0.788 1 1 1021 . 8 1 1 A 115 115 THR N N 115 109.000 117.110 -8.110 1 1 1022 . 8 1 1 A 116 116 ALA H H 116 7.770 7.786 -0.016 1 1 1023 . 8 1 1 A 116 116 ALA HA H 116 3.840 3.833 0.007 1 1 1027 . 8 1 1 A 116 116 ALA CA C 116 56.800 56.854 -0.054 1 1 1028 . 8 1 1 A 116 116 ALA CB C 116 16.100 16.626 -0.526 1 1 1029 . 8 1 1 A 116 116 ALA N N 116 125.500 122.866 2.634 1 1 1030 . 8 1 1 A 117 117 PRO HA H 117 4.370 3.791 0.579 1 1 1031 . 8 1 1 A 117 117 PRO C C 117 179.500 178.880 0.620 1 1 1032 . 8 1 1 A 117 117 PRO CA C 117 65.800 65.497 0.303 1 1 1033 . 8 1 1 A 117 117 PRO CB C 117 30.800 30.474 0.326 1 1 1034 . 8 1 1 A 118 118 LYS H H 118 7.260 7.745 -0.485 1 1 1035 . 8 1 1 A 118 118 LYS HA H 118 4.140 4.057 0.083 1 1 1039 . 8 1 1 A 118 118 LYS C C 118 178.300 178.746 -0.446 1 1 1040 . 8 1 1 A 118 118 LYS CA C 118 57.500 59.149 -1.649 1 1 1041 . 8 1 1 A 118 118 LYS CB C 118 32.200 31.986 0.214 1 1 1042 . 8 1 1 A 118 118 LYS N N 118 115.800 117.858 -2.058 1 1 1043 . 8 1 1 A 119 119 ILE H H 119 7.690 7.537 0.153 1 1 1044 . 8 1 1 A 119 119 ILE HA H 119 3.440 3.833 -0.393 1 1 1053 . 8 1 1 A 119 119 ILE C C 119 177.500 178.342 -0.842 1 1 1054 . 8 1 1 A 119 119 ILE CA C 119 64.400 64.245 0.155 1 1 1055 . 8 1 1 A 119 119 ILE CB C 119 38.700 37.617 1.083 1 1 1056 . 8 1 1 A 119 119 ILE N N 119 119.300 120.309 -1.009 1 1 1057 . 8 1 1 A 120 120 PHE H H 120 8.040 8.217 -0.177 1 1 1058 . 8 1 1 A 120 120 PHE HA H 120 4.310 4.213 0.097 1 1 1061 . 8 1 1 A 120 120 PHE C C 120 176.800 178.080 -1.280 1 1 1062 . 8 1 1 A 120 120 PHE CA C 120 58.900 59.905 -1.005 1 1 1063 . 8 1 1 A 120 120 PHE CB C 120 38.400 37.973 0.427 1 1 1064 . 8 1 1 A 120 120 PHE N N 120 115.800 119.572 -3.772 1 1 1065 . 8 1 1 A 121 121 GLY H H 121 7.660 7.676 -0.016 1 1 1066 . 8 1 1 A 121 121 GLY HA2 H 121 3.830 4.144 -0.314 1 1 1067 . 8 1 1 A 121 121 GLY HA3 H 121 4.350 4.161 0.189 1 1 1068 . 8 1 1 A 121 121 GLY C C 121 174.700 175.111 -0.411 1 1 1069 . 8 1 1 A 121 121 GLY CA C 121 45.300 44.673 0.627 1 1 1070 . 8 1 1 A 121 121 GLY N N 121 106.800 108.805 -2.005 1 1 1071 . 8 1 1 A 122 122 GLY H H 122 7.620 8.543 -0.923 1 1 1072 . 8 1 1 A 122 122 GLY HA2 H 122 4.000 3.968 0.032 1 1 1073 . 8 1 1 A 122 122 GLY HA3 H 122 4.320 3.984 0.336 1 1 1074 . 8 1 1 A 122 122 GLY C C 122 173.800 174.595 -0.795 1 1 1075 . 8 1 1 A 122 122 GLY CA C 122 44.800 45.569 -0.769 1 1 1076 . 8 1 1 A 122 122 GLY N N 122 108.400 108.709 -0.309 1 1 1077 . 8 1 1 A 123 123 GLU H H 123 8.490 9.107 -0.617 1 1 1078 . 8 1 1 A 123 123 GLU HA H 123 4.160 4.121 0.039 1 1 1082 . 8 1 1 A 123 123 GLU C C 123 177.700 175.826 1.874 1 1 1083 . 8 1 1 A 123 123 GLU CA C 123 57.900 57.181 0.719 1 1 1084 . 8 1 1 A 123 123 GLU CB C 123 30.400 28.508 1.892 1 1 1085 . 8 1 1 A 123 123 GLU N N 123 117.700 119.194 -1.494 1 1 1086 . 8 1 1 A 124 124 ILE H H 124 7.890 8.517 -0.627 1 1 1087 . 8 1 1 A 124 124 ILE HA H 124 4.090 3.797 0.293 1 1 1096 . 8 1 1 A 124 124 ILE C C 124 176.700 174.711 1.989 1 1 1097 . 8 1 1 A 124 124 ILE CA C 124 62.000 62.214 -0.214 1 1 1098 . 8 1 1 A 124 124 ILE CB C 124 37.500 36.743 0.757 1 1 1099 . 8 1 1 A 124 124 ILE N N 124 119.900 123.868 -3.968 1 1 1100 . 8 1 1 A 125 125 LYS H H 125 8.600 8.280 0.320 1 1 1101 . 8 1 1 A 125 125 LYS HA H 125 4.590 4.810 -0.220 1 1 1104 . 8 1 1 A 125 125 LYS C C 125 174.400 174.284 0.116 1 1 1105 . 8 1 1 A 125 125 LYS CA C 125 55.600 54.833 0.767 1 1 1106 . 8 1 1 A 125 125 LYS CB C 125 33.000 36.895 -3.895 1 1 1107 . 8 1 1 A 125 125 LYS N N 125 125.500 127.087 -1.587 1 1 1108 . 8 1 1 A 126 126 THR H H 126 6.860 8.663 -1.803 1 1 1109 . 8 1 1 A 126 126 THR HA H 126 4.940 4.924 0.016 1 1 1114 . 8 1 1 A 126 126 THR C C 126 172.000 173.436 -1.436 1 1 1115 . 8 1 1 A 126 126 THR CA C 126 62.100 60.385 1.715 1 1 1116 . 8 1 1 A 126 126 THR CB C 126 69.700 70.520 -0.820 1 1 1117 . 8 1 1 A 126 126 THR N N 126 116.200 117.932 -1.732 1 1 1118 . 8 1 1 A 127 127 HIS H H 127 8.870 8.343 0.527 1 1 1119 . 8 1 1 A 127 127 HIS HA H 127 5.470 5.788 -0.318 1 1 1121 . 8 1 1 A 127 127 HIS C C 127 173.600 172.614 0.986 1 1 1122 . 8 1 1 A 127 127 HIS CA C 127 53.700 53.780 -0.080 1 1 1123 . 8 1 1 A 127 127 HIS CB C 127 35.300 33.380 1.920 1 1 1124 . 8 1 1 A 127 127 HIS N N 127 125.900 122.762 3.138 1 1 1125 . 8 1 1 A 128 128 ILE H H 128 9.200 9.327 -0.127 1 1 1126 . 8 1 1 A 128 128 ILE HA H 128 4.890 4.963 -0.073 1 1 1134 . 8 1 1 A 128 128 ILE C C 128 171.100 174.311 -3.211 1 1 1135 . 8 1 1 A 128 128 ILE CA C 128 58.900 59.489 -0.589 1 1 1136 . 8 1 1 A 128 128 ILE CB C 128 40.200 40.313 -0.113 1 1 1137 . 8 1 1 A 128 128 ILE N N 128 122.600 118.598 4.002 1 1 1138 . 8 1 1 A 129 129 LEU H H 129 9.070 9.450 -0.380 1 1 1139 . 8 1 1 A 129 129 LEU HA H 129 5.040 5.218 -0.178 1 1 1148 . 8 1 1 A 129 129 LEU C C 129 174.300 174.844 -0.544 1 1 1149 . 8 1 1 A 129 129 LEU CA C 129 53.400 53.488 -0.088 1 1 1150 . 8 1 1 A 129 129 LEU CB C 129 43.600 44.590 -0.990 1 1 1151 . 8 1 1 A 129 129 LEU N N 129 128.800 127.343 1.457 1 1 1152 . 8 1 1 A 130 130 LEU H H 130 8.680 9.047 -0.367 1 1 1153 . 8 1 1 A 130 130 LEU HA H 130 4.640 5.326 -0.686 1 1 1162 . 8 1 1 A 130 130 LEU C C 130 174.400 174.898 -0.498 1 1 1163 . 8 1 1 A 130 130 LEU CA C 130 52.700 52.612 0.088 1 1 1164 . 8 1 1 A 130 130 LEU CB C 130 41.600 46.038 -4.438 1 1 1165 . 8 1 1 A 130 130 LEU N N 130 123.200 128.150 -4.950 1 1 1166 . 8 1 1 A 131 131 PHE H H 131 9.100 8.964 0.136 1 1 1167 . 8 1 1 A 131 131 PHE HA H 131 4.630 4.790 -0.160 1 1 1170 . 8 1 1 A 131 131 PHE C C 131 173.600 173.984 -0.384 1 1 1171 . 8 1 1 A 131 131 PHE CA C 131 56.800 56.370 0.430 1 1 1172 . 8 1 1 A 131 131 PHE CB C 131 39.200 39.894 -0.694 1 1 1173 . 8 1 1 A 131 131 PHE N N 131 127.500 127.839 -0.339 1 1 1174 . 8 1 1 A 132 132 LEU H H 132 9.000 8.448 0.552 1 1 1175 . 8 1 1 A 132 132 LEU HA H 132 5.020 4.544 0.476 1 1 1183 . 8 1 1 A 132 132 LEU CA C 132 50.700 51.307 -0.607 1 1 1184 . 8 1 1 A 132 132 LEU CB C 132 44.400 44.565 -0.165 1 1 1185 . 8 1 1 A 132 132 LEU N N 132 127.100 128.331 -1.231 1 1 1186 . 8 1 1 A 133 133 PRO HA H 133 4.770 4.200 0.570 1 1 1187 . 8 1 1 A 133 133 PRO C C 133 179.100 178.394 0.706 1 1 1188 . 8 1 1 A 133 133 PRO CA C 133 62.300 65.927 -3.627 1 1 1189 . 8 1 1 A 133 133 PRO CB C 133 31.600 31.237 0.363 1 1 1190 . 8 1 1 A 134 134 LYS H H 134 8.300 7.578 0.722 1 1 1191 . 8 1 1 A 134 134 LYS HA H 134 4.070 4.706 -0.636 1 1 1195 . 8 1 1 A 134 134 LYS C C 134 176.700 176.509 0.191 1 1 1196 . 8 1 1 A 134 134 LYS CA C 134 58.900 56.491 2.409 1 1 1197 . 8 1 1 A 134 134 LYS CB C 134 32.000 34.028 -2.028 1 1 1198 . 8 1 1 A 134 134 LYS N N 134 123.900 117.186 6.714 1 1 1199 . 8 1 1 A 135 135 SER H H 135 7.610 8.215 -0.605 1 1 1200 . 8 1 1 A 135 135 SER HA H 135 4.250 4.691 -0.441 1 1 1202 . 8 1 1 A 135 135 SER C C 135 175.200 173.384 1.816 1 1 1203 . 8 1 1 A 135 135 SER CA C 135 58.200 57.267 0.933 1 1 1204 . 8 1 1 A 135 135 SER CB C 135 63.300 63.650 -0.350 1 1 1205 . 8 1 1 A 135 135 SER N N 135 108.200 115.029 -6.829 1 1 1206 . 8 1 1 A 136 136 VAL H H 136 7.500 7.526 -0.026 1 1 1207 . 8 1 1 A 136 136 VAL HA H 136 4.210 4.046 0.164 1 1 1215 . 8 1 1 A 136 136 VAL C C 136 175.100 177.250 -2.150 1 1 1216 . 8 1 1 A 136 136 VAL CA C 136 61.900 62.640 -0.740 1 1 1217 . 8 1 1 A 136 136 VAL CB C 136 32.600 32.893 -0.293 1 1 1218 . 8 1 1 A 136 136 VAL N N 136 122.800 123.031 -0.231 1 1 1219 . 8 1 1 A 137 137 SER H H 137 8.450 8.937 -0.487 1 1 1220 . 8 1 1 A 137 137 SER HA H 137 4.300 4.565 -0.265 1 1 1222 . 8 1 1 A 137 137 SER C C 137 175.200 175.258 -0.058 1 1 1223 . 8 1 1 A 137 137 SER CA C 137 59.700 61.601 -1.901 1 1 1224 . 8 1 1 A 137 137 SER CB C 137 63.000 62.829 0.171 1 1 1225 . 8 1 1 A 137 137 SER N N 137 120.800 123.193 -2.393 1 1 1226 . 8 1 1 A 138 138 ASP H H 138 8.980 8.323 0.657 1 1 1227 . 8 1 1 A 138 138 ASP HA H 138 4.630 4.585 0.045 1 1 1230 . 8 1 1 A 138 138 ASP C C 138 174.800 177.091 -2.291 1 1 1231 . 8 1 1 A 138 138 ASP CA C 138 54.000 55.283 -1.283 1 1 1232 . 8 1 1 A 138 138 ASP CB C 138 39.300 40.379 -1.079 1 1 1233 . 8 1 1 A 138 138 ASP N N 138 122.400 121.234 1.166 1 1 1234 . 8 1 1 A 139 139 TYR H H 139 7.620 8.129 -0.509 1 1 1235 . 8 1 1 A 139 139 TYR HA H 139 3.530 4.101 -0.571 1 1 1238 . 8 1 1 A 139 139 TYR C C 139 176.400 178.163 -1.763 1 1 1239 . 8 1 1 A 139 139 TYR CA C 139 62.800 60.779 2.021 1 1 1240 . 8 1 1 A 139 139 TYR CB C 139 39.100 37.108 1.992 1 1 1241 . 8 1 1 A 139 139 TYR N N 139 120.500 118.364 2.136 1 1 1242 . 8 1 1 A 140 140 ASP H H 140 8.690 7.021 1.669 1 1 1243 . 8 1 1 A 140 140 ASP HA H 140 4.210 4.097 0.113 1 1 1245 . 8 1 1 A 140 140 ASP C C 140 179.300 179.000 0.300 1 1 1246 . 8 1 1 A 140 140 ASP CA C 140 57.200 56.755 0.445 1 1 1247 . 8 1 1 A 140 140 ASP CB C 140 40.400 40.077 0.323 1 1 1248 . 8 1 1 A 140 140 ASP N N 140 115.200 121.640 -6.440 1 1 1249 . 8 1 1 A 141 141 GLY H H 141 7.800 8.020 -0.220 1 1 1250 . 8 1 1 A 141 141 GLY HA2 H 141 3.800 3.673 0.127 1 1 1251 . 8 1 1 A 141 141 GLY HA3 H 141 4.070 3.682 0.388 1 1 1252 . 8 1 1 A 141 141 GLY C C 141 176.800 175.663 1.137 1 1 1253 . 8 1 1 A 141 141 GLY CA C 141 47.000 47.282 -0.282 1 1 1254 . 8 1 1 A 141 141 GLY N N 141 110.300 107.595 2.705 1 1 1255 . 8 1 1 A 142 142 LYS H H 142 8.010 8.307 -0.297 1 1 1256 . 8 1 1 A 142 142 LYS HA H 142 4.030 3.978 0.052 1 1 1259 . 8 1 1 A 142 142 LYS C C 142 179.000 178.450 0.550 1 1 1260 . 8 1 1 A 142 142 LYS CA C 142 59.700 59.148 0.552 1 1 1261 . 8 1 1 A 142 142 LYS CB C 142 33.000 32.086 0.914 1 1 1262 . 8 1 1 A 142 142 LYS N N 142 123.200 121.810 1.390 1 1 1263 . 8 1 1 A 143 143 LEU H H 143 8.090 8.347 -0.257 1 1 1264 . 8 1 1 A 143 143 LEU HA H 143 3.760 3.987 -0.227 1 1 1273 . 8 1 1 A 143 143 LEU C C 143 179.000 178.753 0.247 1 1 1274 . 8 1 1 A 143 143 LEU CA C 143 57.500 57.974 -0.474 1 1 1275 . 8 1 1 A 143 143 LEU CB C 143 40.600 41.284 -0.684 1 1 1276 . 8 1 1 A 143 143 LEU N N 143 120.000 121.279 -1.279 1 1 1277 . 8 1 1 A 144 144 SER H H 144 8.350 8.544 -0.194 1 1 1278 . 8 1 1 A 144 144 SER HA H 144 4.120 4.006 0.114 1 1 1280 . 8 1 1 A 144 144 SER C C 144 177.300 176.760 0.540 1 1 1281 . 8 1 1 A 144 144 SER CA C 144 61.900 62.046 -0.146 1 1 1282 . 8 1 1 A 144 144 SER CB C 144 62.300 62.841 -0.541 1 1 1283 . 8 1 1 A 144 144 SER N N 144 114.600 116.092 -1.492 1 1 1284 . 8 1 1 A 145 145 ASN H H 145 7.980 8.484 -0.504 1 1 1285 . 8 1 1 A 145 145 ASN HA H 145 4.460 4.611 -0.151 1 1 1288 . 8 1 1 A 145 145 ASN C C 145 176.300 178.448 -2.148 1 1 1289 . 8 1 1 A 145 145 ASN CA C 145 56.600 56.421 0.179 1 1 1290 . 8 1 1 A 145 145 ASN CB C 145 38.600 38.631 -0.031 1 1 1291 . 8 1 1 A 145 145 ASN N N 145 121.600 120.654 0.946 1 1 1292 . 8 1 1 A 146 146 PHE H H 146 7.710 8.953 -1.243 1 1 1293 . 8 1 1 A 146 146 PHE HA H 146 4.370 4.153 0.217 1 1 1296 . 8 1 1 A 146 146 PHE C C 146 176.200 178.193 -1.993 1 1 1297 . 8 1 1 A 146 146 PHE CA C 146 61.500 61.325 0.175 1 1 1298 . 8 1 1 A 146 146 PHE CB C 146 40.500 38.992 1.508 1 1 1299 . 8 1 1 A 146 146 PHE N N 146 121.800 118.321 3.479 1 1 1300 . 8 1 1 A 147 147 LYS H H 147 8.510 8.756 -0.246 1 1 1301 . 8 1 1 A 147 147 LYS HA H 147 3.620 4.000 -0.380 1 1 1305 . 8 1 1 A 147 147 LYS C C 147 178.200 178.421 -0.221 1 1 1306 . 8 1 1 A 147 147 LYS CA C 147 59.600 59.625 -0.025 1 1 1307 . 8 1 1 A 147 147 LYS CB C 147 32.400 32.504 -0.104 1 1 1308 . 8 1 1 A 147 147 LYS N N 147 117.700 118.033 -0.333 1 1 1309 . 8 1 1 A 148 148 THR H H 148 8.280 8.003 0.277 1 1 1310 . 8 1 1 A 148 148 THR HA H 148 3.870 4.084 -0.214 1 1 1315 . 8 1 1 A 148 148 THR C C 148 177.200 177.179 0.021 1 1 1316 . 8 1 1 A 148 148 THR CA C 148 66.600 65.321 1.279 1 1 1317 . 8 1 1 A 148 148 THR CB C 148 68.200 68.127 0.073 1 1 1318 . 8 1 1 A 148 148 THR N N 148 116.200 112.220 3.980 1 1 1319 . 8 1 1 A 149 149 ALA H H 149 7.570 8.231 -0.661 1 1 1320 . 8 1 1 A 149 149 ALA HA H 149 4.030 3.877 0.153 1 1 1324 . 8 1 1 A 149 149 ALA C C 149 177.700 179.375 -1.675 1 1 1325 . 8 1 1 A 149 149 ALA CA C 149 54.900 55.110 -0.210 1 1 1326 . 8 1 1 A 149 149 ALA CB C 149 18.700 18.054 0.646 1 1 1327 . 8 1 1 A 149 149 ALA N N 149 124.000 124.439 -0.439 1 1 1328 . 8 1 1 A 150 150 ALA H H 150 7.360 8.426 -1.066 1 1 1329 . 8 1 1 A 150 150 ALA HA H 150 1.860 4.327 -2.467 1 1 1333 . 8 1 1 A 150 150 ALA C C 150 180.600 179.103 1.497 1 1 1334 . 8 1 1 A 150 150 ALA CA C 150 53.900 55.530 -1.630 1 1 1335 . 8 1 1 A 150 150 ALA CB C 150 19.500 18.483 1.017 1 1 1336 . 8 1 1 A 150 150 ALA N N 150 119.700 120.704 -1.004 1 1 1337 . 8 1 1 A 151 151 GLU H H 151 7.050 8.420 -1.370 1 1 1338 . 8 1 1 A 151 151 GLU HA H 151 3.680 4.109 -0.429 1 1 1342 . 8 1 1 A 151 151 GLU C C 151 178.500 179.253 -0.753 1 1 1343 . 8 1 1 A 151 151 GLU CA C 151 59.000 59.417 -0.417 1 1 1344 . 8 1 1 A 151 151 GLU CB C 151 30.000 29.372 0.628 1 1 1345 . 8 1 1 A 151 151 GLU N N 151 114.200 118.816 -4.616 1 1 1346 . 8 1 1 A 152 152 SER H H 152 7.510 8.022 -0.512 1 1 1347 . 8 1 1 A 152 152 SER HA H 152 4.160 4.134 0.026 1 1 1350 . 8 1 1 A 152 152 SER C C 152 173.400 175.316 -1.916 1 1 1351 . 8 1 1 A 152 152 SER CA C 152 60.600 62.623 -2.023 1 1 1352 . 8 1 1 A 152 152 SER CB C 152 63.500 63.165 0.335 1 1 1353 . 8 1 1 A 152 152 SER N N 152 111.900 117.465 -5.565 1 1 1354 . 8 1 1 A 153 153 PHE H H 153 7.240 7.884 -0.644 1 1 1355 . 8 1 1 A 153 153 PHE HA H 153 4.750 4.751 -0.001 1 1 1358 . 8 1 1 A 153 153 PHE C C 153 174.600 175.197 -0.597 1 1 1359 . 8 1 1 A 153 153 PHE CA C 153 57.200 57.165 0.035 1 1 1360 . 8 1 1 A 153 153 PHE CB C 153 41.300 38.741 2.559 1 1 1361 . 8 1 1 A 153 153 PHE N N 153 115.800 116.779 -0.979 1 1 1362 . 8 1 1 A 154 154 LYS H H 154 7.320 7.270 0.050 1 1 1363 . 8 1 1 A 154 154 LYS HA H 154 4.380 4.097 0.283 1 1 1368 . 8 1 1 A 154 154 LYS C C 154 178.200 177.694 0.506 1 1 1369 . 8 1 1 A 154 154 LYS CA C 154 58.500 58.466 0.034 1 1 1370 . 8 1 1 A 154 154 LYS CB C 154 31.900 32.474 -0.574 1 1 1371 . 8 1 1 A 154 154 LYS N N 154 124.000 122.555 1.445 1 1 1372 . 8 1 1 A 155 155 GLY H H 155 9.720 9.069 0.651 1 1 1373 . 8 1 1 A 155 155 GLY HA2 H 155 3.620 4.019 -0.399 1 1 1374 . 8 1 1 A 155 155 GLY HA3 H 155 4.290 4.041 0.249 1 1 1375 . 8 1 1 A 155 155 GLY C C 155 173.200 173.866 -0.666 1 1 1376 . 8 1 1 A 155 155 GLY CA C 155 45.500 45.871 -0.371 1 1 1377 . 8 1 1 A 155 155 GLY N N 155 115.400 114.659 0.741 1 1 1378 . 8 1 1 A 156 156 LYS H H 156 8.400 8.268 0.132 1 1 1379 . 8 1 1 A 156 156 LYS HA H 156 4.630 4.511 0.119 1 1 1383 . 8 1 1 A 156 156 LYS C C 156 175.000 175.701 -0.701 1 1 1384 . 8 1 1 A 156 156 LYS CA C 156 57.100 56.898 0.202 1 1 1385 . 8 1 1 A 156 156 LYS CB C 156 35.800 35.986 -0.186 1 1 1386 . 8 1 1 A 156 156 LYS N N 156 118.700 117.674 1.026 1 1 1387 . 8 1 1 A 157 157 ILE H H 157 7.890 7.658 0.232 1 1 1388 . 8 1 1 A 157 157 ILE HA H 157 4.330 4.589 -0.259 1 1 1396 . 8 1 1 A 157 157 ILE C C 157 175.000 172.718 2.282 1 1 1397 . 8 1 1 A 157 157 ILE CA C 157 60.400 59.848 0.552 1 1 1398 . 8 1 1 A 157 157 ILE CB C 157 43.600 41.682 1.918 1 1 1399 . 8 1 1 A 157 157 ILE N N 157 116.600 118.810 -2.210 1 1 1400 . 8 1 1 A 158 158 LEU H H 158 8.300 8.718 -0.418 1 1 1401 . 8 1 1 A 158 158 LEU HA H 158 4.840 4.675 0.165 1 1 1410 . 8 1 1 A 158 158 LEU C C 158 175.000 174.645 0.355 1 1 1411 . 8 1 1 A 158 158 LEU CA C 158 54.500 52.875 1.625 1 1 1412 . 8 1 1 A 158 158 LEU CB C 158 43.300 44.250 -0.950 1 1 1413 . 8 1 1 A 158 158 LEU N N 158 129.800 129.716 0.084 1 1 1414 . 8 1 1 A 159 159 PHE H H 159 9.310 7.869 1.441 1 1 1415 . 8 1 1 A 159 159 PHE HA H 159 4.890 4.953 -0.063 1 1 1418 . 8 1 1 A 159 159 PHE C C 159 178.500 175.686 2.814 1 1 1419 . 8 1 1 A 159 159 PHE CA C 159 56.600 57.080 -0.480 1 1 1420 . 8 1 1 A 159 159 PHE CB C 159 39.100 40.116 -1.016 1 1 1421 . 8 1 1 A 159 159 PHE N N 159 130.000 126.521 3.479 1 1 1422 . 8 1 1 A 160 160 ILE H H 160 9.130 9.775 -0.645 1 1 1423 . 8 1 1 A 160 160 ILE HA H 160 5.470 5.104 0.366 1 1 1431 . 8 1 1 A 160 160 ILE C C 160 174.500 175.589 -1.089 1 1 1432 . 8 1 1 A 160 160 ILE CA C 160 58.700 59.496 -0.796 1 1 1433 . 8 1 1 A 160 160 ILE CB C 160 42.000 40.239 1.761 1 1 1434 . 8 1 1 A 160 160 ILE N N 160 124.100 120.947 3.153 1 1 1435 . 8 1 1 A 161 161 PHE H H 161 8.920 8.397 0.523 1 1 1436 . 8 1 1 A 161 161 PHE HA H 161 5.780 6.034 -0.254 1 1 1439 . 8 1 1 A 161 161 PHE C C 161 172.800 172.770 0.030 1 1 1440 . 8 1 1 A 161 161 PHE CA C 161 54.500 55.050 -0.550 1 1 1441 . 8 1 1 A 161 161 PHE CB C 161 42.700 42.674 0.026 1 1 1442 . 8 1 1 A 161 161 PHE N N 161 122.600 118.916 3.684 1 1 1443 . 8 1 1 A 162 162 ILE H H 162 8.780 9.153 -0.373 1 1 1444 . 8 1 1 A 162 162 ILE HA H 162 4.310 5.004 -0.694 1 1 1451 . 8 1 1 A 162 162 ILE C C 162 174.000 173.343 0.657 1 1 1452 . 8 1 1 A 162 162 ILE CA C 162 59.600 59.669 -0.069 1 1 1453 . 8 1 1 A 162 162 ILE CB C 162 42.300 41.900 0.400 1 1 1454 . 8 1 1 A 162 162 ILE N N 162 121.400 121.488 -0.088 1 1 1455 . 8 1 1 A 163 163 ASP H H 163 8.410 8.679 -0.269 1 1 1456 . 8 1 1 A 163 163 ASP HA H 163 5.370 4.899 0.471 1 1 1459 . 8 1 1 A 163 163 ASP C C 163 178.300 176.960 1.340 1 1 1460 . 8 1 1 A 163 163 ASP CA C 163 52.600 54.647 -2.047 1 1 1461 . 8 1 1 A 163 163 ASP CB C 163 40.500 41.955 -1.455 1 1 1462 . 8 1 1 A 163 163 ASP N N 163 123.800 128.494 -4.694 1 1 1463 . 8 1 1 A 164 164 SER H H 164 7.470 8.781 -1.311 1 1 1464 . 8 1 1 A 164 164 SER HA H 164 3.990 4.225 -0.235 1 1 1467 . 8 1 1 A 164 164 SER C C 164 173.900 174.328 -0.428 1 1 1468 . 8 1 1 A 164 164 SER CA C 164 60.500 62.639 -2.139 1 1 1469 . 8 1 1 A 164 164 SER CB C 164 64.500 63.155 1.345 1 1 1470 . 8 1 1 A 164 164 SER N N 164 124.000 120.626 3.374 1 1 1471 . 8 1 1 A 165 165 ASP H H 165 8.360 8.041 0.319 1 1 1472 . 8 1 1 A 165 165 ASP HA H 165 4.670 4.408 0.262 1 1 1475 . 8 1 1 A 165 165 ASP C C 165 177.400 176.460 0.940 1 1 1476 . 8 1 1 A 165 165 ASP CA C 165 55.600 55.103 0.497 1 1 1477 . 8 1 1 A 165 165 ASP CB C 165 41.300 39.092 2.208 1 1 1478 . 8 1 1 A 165 165 ASP N N 165 119.300 117.842 1.458 1 1 1479 . 8 1 1 A 166 166 HIS H H 166 7.260 8.062 -0.802 1 1 1480 . 8 1 1 A 166 166 HIS HA H 166 4.400 4.323 0.077 1 1 1482 . 8 1 1 A 166 166 HIS CA C 166 58.300 58.989 -0.689 1 1 1483 . 8 1 1 A 166 166 HIS CB C 166 31.900 30.022 1.878 1 1 1484 . 8 1 1 A 166 166 HIS N N 166 121.400 117.951 3.449 1 1 1485 . 8 1 1 A 167 167 THR HA H 167 4.050 4.277 -0.227 1 1 1490 . 8 1 1 A 167 167 THR C C 167 176.800 174.932 1.868 1 1 1491 . 8 1 1 A 167 167 THR CA C 167 66.000 64.599 1.401 1 1 1492 . 8 1 1 A 167 167 THR CB C 167 68.600 69.389 -0.789 1 1 1493 . 8 1 1 A 168 168 ASP H H 168 11.030 8.192 2.838 1 1 1494 . 8 1 1 A 168 168 ASP HA H 168 4.640 4.442 0.198 1 1 1497 . 8 1 1 A 168 168 ASP C C 168 177.500 178.221 -0.721 1 1 1498 . 8 1 1 A 168 168 ASP CA C 168 56.800 56.554 0.246 1 1 1499 . 8 1 1 A 168 168 ASP CB C 168 39.800 40.774 -0.974 1 1 1500 . 8 1 1 A 168 168 ASP N N 168 124.900 121.482 3.418 1 1 1501 . 8 1 1 A 169 169 ASN H H 169 7.970 8.811 -0.841 1 1 1502 . 8 1 1 A 169 169 ASN HA H 169 5.260 4.732 0.528 1 1 1505 . 8 1 1 A 169 169 ASN C C 169 176.100 176.727 -0.627 1 1 1506 . 8 1 1 A 169 169 ASN CA C 169 52.700 53.478 -0.778 1 1 1507 . 8 1 1 A 169 169 ASN CB C 169 38.600 38.124 0.476 1 1 1508 . 8 1 1 A 169 169 ASN N N 169 114.600 117.210 -2.610 1 1 1509 . 8 1 1 A 170 170 GLN H H 170 7.660 7.911 -0.251 1 1 1510 . 8 1 1 A 170 170 GLN HA H 170 4.020 4.008 0.012 1 1 1513 . 8 1 1 A 170 170 GLN C C 170 178.100 178.267 -0.167 1 1 1514 . 8 1 1 A 170 170 GLN CA C 170 59.500 59.341 0.159 1 1 1515 . 8 1 1 A 170 170 GLN CB C 170 28.000 28.367 -0.367 1 1 1516 . 8 1 1 A 170 170 GLN N N 170 121.400 119.213 2.187 1 1 1517 . 8 1 1 A 171 171 ARG H H 171 8.570 7.658 0.912 1 1 1518 . 8 1 1 A 171 171 ARG HA H 171 4.250 4.117 0.133 1 1 1521 . 8 1 1 A 171 171 ARG C C 171 178.700 179.026 -0.326 1 1 1522 . 8 1 1 A 171 171 ARG CA C 171 58.700 58.895 -0.195 1 1 1523 . 8 1 1 A 171 171 ARG CB C 171 29.100 30.055 -0.955 1 1 1524 . 8 1 1 A 171 171 ARG N N 171 117.500 119.353 -1.853 1 1 1525 . 8 1 1 A 172 172 ILE H H 172 7.700 8.069 -0.369 1 1 1526 . 8 1 1 A 172 172 ILE HA H 172 4.010 3.848 0.162 1 1 1534 . 8 1 1 A 172 172 ILE C C 172 177.600 178.544 -0.944 1 1 1535 . 8 1 1 A 172 172 ILE CA C 172 63.300 65.374 -2.074 1 1 1536 . 8 1 1 A 172 172 ILE CB C 172 37.000 37.838 -0.838 1 1 1537 . 8 1 1 A 172 172 ILE N N 172 121.000 119.728 1.272 1 1 1538 . 8 1 1 A 173 173 LEU H H 173 7.400 8.079 -0.679 1 1 1539 . 8 1 1 A 173 173 LEU HA H 173 3.740 4.001 -0.261 1 1 1548 . 8 1 1 A 173 173 LEU C C 173 179.500 179.101 0.399 1 1 1549 . 8 1 1 A 173 173 LEU CA C 173 60.500 58.308 2.192 1 1 1550 . 8 1 1 A 173 173 LEU CB C 173 40.500 41.394 -0.894 1 1 1551 . 8 1 1 A 173 173 LEU N N 173 121.400 120.355 1.045 1 1 1552 . 8 1 1 A 174 174 GLU H H 174 8.030 8.214 -0.184 1 1 1553 . 8 1 1 A 174 174 GLU HA H 174 4.000 3.932 0.068 1 1 1557 . 8 1 1 A 174 174 GLU C C 174 180.200 178.847 1.353 1 1 1558 . 8 1 1 A 174 174 GLU CA C 174 59.200 59.660 -0.460 1 1 1559 . 8 1 1 A 174 174 GLU CB C 174 29.300 29.620 -0.320 1 1 1560 . 8 1 1 A 174 174 GLU N N 174 117.200 119.838 -2.638 1 1 1561 . 8 1 1 A 175 175 PHE H H 175 8.000 7.886 0.114 1 1 1562 . 8 1 1 A 175 175 PHE HA H 175 4.150 4.240 -0.090 1 1 1565 . 8 1 1 A 175 175 PHE C C 175 176.400 178.232 -1.832 1 1 1566 . 8 1 1 A 175 175 PHE CA C 175 60.800 61.543 -0.743 1 1 1567 . 8 1 1 A 175 175 PHE CB C 175 38.700 38.949 -0.249 1 1 1568 . 8 1 1 A 175 175 PHE N N 175 122.000 120.877 1.123 1 1 1569 . 8 1 1 A 176 176 PHE H H 176 7.510 7.730 -0.220 1 1 1570 . 8 1 1 A 176 176 PHE HA H 176 4.110 4.202 -0.092 1 1 1573 . 8 1 1 A 176 176 PHE C C 176 175.000 175.725 -0.725 1 1 1574 . 8 1 1 A 176 176 PHE CA C 176 59.300 59.932 -0.632 1 1 1575 . 8 1 1 A 176 176 PHE CB C 176 40.000 39.948 0.052 1 1 1576 . 8 1 1 A 176 176 PHE N N 176 113.100 118.564 -5.464 1 1 1577 . 8 1 1 A 177 177 GLY H H 177 8.030 7.758 0.272 1 1 1578 . 8 1 1 A 177 177 GLY HA2 H 177 3.850 3.921 -0.071 1 1 1579 . 8 1 1 A 177 177 GLY C C 177 173.900 174.453 -0.553 1 1 1580 . 8 1 1 A 177 177 GLY CA C 177 46.500 46.963 -0.463 1 1 1581 . 8 1 1 A 177 177 GLY N N 177 110.900 108.410 2.490 1 1 1582 . 8 1 1 A 178 178 LEU H H 178 7.730 7.900 -0.170 1 1 1583 . 8 1 1 A 178 178 LEU HA H 178 4.440 4.721 -0.281 1 1 1592 . 8 1 1 A 178 178 LEU C C 178 175.800 175.692 0.108 1 1 1593 . 8 1 1 A 178 178 LEU CA C 178 53.500 53.881 -0.381 1 1 1594 . 8 1 1 A 178 178 LEU CB C 178 45.900 44.348 1.552 1 1 1595 . 8 1 1 A 178 178 LEU N N 178 120.700 120.691 0.009 1 1 1596 . 8 1 1 A 179 179 LYS H H 179 8.170 8.425 -0.255 1 1 1597 . 8 1 1 A 179 179 LYS HA H 179 4.530 4.683 -0.153 1 1 1600 . 8 1 1 A 179 179 LYS C C 179 178.500 177.228 1.272 1 1 1601 . 8 1 1 A 179 179 LYS CA C 179 54.000 54.791 -0.791 1 1 1602 . 8 1 1 A 179 179 LYS CB C 179 34.100 34.495 -0.395 1 1 1603 . 8 1 1 A 179 179 LYS N N 179 119.500 122.282 -2.782 1 1 1604 . 8 1 1 A 180 180 LYS H H 180 9.110 8.844 0.266 1 1 1605 . 8 1 1 A 180 180 LYS HA H 180 3.820 3.982 -0.162 1 1 1609 . 8 1 1 A 180 180 LYS C C 180 179.600 178.244 1.356 1 1 1610 . 8 1 1 A 180 180 LYS CA C 180 60.900 60.204 0.696 1 1 1611 . 8 1 1 A 180 180 LYS CB C 180 32.100 32.192 -0.092 1 1 1612 . 8 1 1 A 180 180 LYS N N 180 124.200 122.938 1.262 1 1 1613 . 8 1 1 A 181 181 GLU H H 181 9.460 8.893 0.567 1 1 1614 . 8 1 1 A 181 181 GLU HA H 181 4.220 4.146 0.074 1 1 1617 . 8 1 1 A 181 181 GLU C C 181 176.700 176.650 0.050 1 1 1618 . 8 1 1 A 181 181 GLU CA C 181 58.700 57.461 1.239 1 1 1619 . 8 1 1 A 181 181 GLU CB C 181 28.300 28.144 0.156 1 1 1620 . 8 1 1 A 181 181 GLU N N 181 116.600 115.873 0.727 1 1 1621 . 8 1 1 A 182 182 GLU H H 182 7.660 8.231 -0.571 1 1 1622 . 8 1 1 A 182 182 GLU HA H 182 4.320 4.147 0.173 1 1 1625 . 8 1 1 A 182 182 GLU C C 182 174.900 175.708 -0.808 1 1 1626 . 8 1 1 A 182 182 GLU CA C 182 55.700 56.277 -0.577 1 1 1627 . 8 1 1 A 182 182 GLU CB C 182 30.600 28.628 1.972 1 1 1628 . 8 1 1 A 182 182 GLU N N 182 118.300 120.013 -1.713 1 1 1629 . 8 1 1 A 183 183 CYS H H 183 7.090 8.463 -1.373 1 1 1630 . 8 1 1 A 183 183 CYS HA H 183 4.270 4.919 -0.649 1 1 1633 . 8 1 1 A 183 183 CYS CA C 183 58.200 56.938 1.262 1 1 1634 . 8 1 1 A 183 183 CYS CB C 183 27.400 29.403 -2.003 1 1 1635 . 8 1 1 A 183 183 CYS N N 183 117.700 121.447 -3.747 1 1 1636 . 8 1 1 A 184 184 PRO HA H 184 5.370 4.797 0.573 1 1 1637 . 8 1 1 A 184 184 PRO C C 184 174.300 175.800 -1.500 1 1 1638 . 8 1 1 A 184 184 PRO CA C 184 61.500 63.234 -1.734 1 1 1639 . 8 1 1 A 184 184 PRO CB C 184 36.000 32.528 3.472 1 1 1640 . 8 1 1 A 185 185 ALA H H 185 8.370 8.559 -0.189 1 1 1641 . 8 1 1 A 185 185 ALA HA H 185 4.790 4.812 -0.022 1 1 1645 . 8 1 1 A 185 185 ALA C C 185 174.800 175.288 -0.488 1 1 1646 . 8 1 1 A 185 185 ALA CA C 185 51.600 51.019 0.581 1 1 1647 . 8 1 1 A 185 185 ALA CB C 185 23.400 23.633 -0.233 1 1 1648 . 8 1 1 A 185 185 ALA N N 185 123.000 121.253 1.747 1 1 1649 . 8 1 1 A 186 186 VAL H H 186 8.660 8.729 -0.069 1 1 1650 . 8 1 1 A 186 186 VAL HA H 186 5.710 5.004 0.706 1 1 1655 . 8 1 1 A 186 186 VAL C C 186 176.500 173.280 3.220 1 1 1656 . 8 1 1 A 186 186 VAL CA C 186 59.300 59.360 -0.060 1 1 1657 . 8 1 1 A 186 186 VAL CB C 186 35.300 35.240 0.060 1 1 1658 . 8 1 1 A 186 186 VAL N N 186 117.900 118.101 -0.201 1 1 1659 . 8 1 1 A 187 187 ARG H H 187 8.910 9.356 -0.446 1 1 1660 . 8 1 1 A 187 187 ARG HA H 187 5.000 5.450 -0.450 1 1 1663 . 8 1 1 A 187 187 ARG C C 187 172.600 174.594 -1.994 1 1 1664 . 8 1 1 A 187 187 ARG CA C 187 53.000 54.324 -1.324 1 1 1665 . 8 1 1 A 187 187 ARG CB C 187 35.900 34.870 1.030 1 1 1666 . 8 1 1 A 187 187 ARG N N 187 123.000 127.778 -4.778 1 1 1667 . 8 1 1 A 188 188 LEU H H 188 8.790 9.247 -0.457 1 1 1668 . 8 1 1 A 188 188 LEU HA H 188 5.420 5.460 -0.040 1 1 1677 . 8 1 1 A 188 188 LEU C C 188 174.600 174.722 -0.122 1 1 1678 . 8 1 1 A 188 188 LEU CA C 188 54.300 53.511 0.789 1 1 1679 . 8 1 1 A 188 188 LEU CB C 188 47.300 45.846 1.454 1 1 1680 . 8 1 1 A 188 188 LEU N N 188 124.700 124.412 0.288 1 1 1681 . 8 1 1 A 189 189 ILE H H 189 9.590 9.060 0.530 1 1 1682 . 8 1 1 A 189 189 ILE HA H 189 5.880 5.178 0.702 1 1 1690 . 8 1 1 A 189 189 ILE C C 189 173.500 174.688 -1.188 1 1 1691 . 8 1 1 A 189 189 ILE CA C 189 58.400 59.805 -1.405 1 1 1692 . 8 1 1 A 189 189 ILE CB C 189 43.000 40.701 2.299 1 1 1693 . 8 1 1 A 189 189 ILE N N 189 121.800 126.028 -4.228 1 1 1694 . 8 1 1 A 190 190 THR H H 190 8.750 8.873 -0.123 1 1 1695 . 8 1 1 A 190 190 THR HA H 190 5.360 5.031 0.329 1 1 1700 . 8 1 1 A 190 190 THR C C 190 174.300 174.331 -0.031 1 1 1701 . 8 1 1 A 190 190 THR CA C 190 58.800 61.025 -2.225 1 1 1702 . 8 1 1 A 190 190 THR CB C 190 70.400 72.823 -2.423 1 1 1703 . 8 1 1 A 190 190 THR N N 190 114.200 123.507 -9.307 1 1 1704 . 8 1 1 A 191 191 LEU H H 191 8.610 8.471 0.139 1 1 1705 . 8 1 1 A 191 191 LEU HA H 191 4.640 4.817 -0.177 1 1 1711 . 8 1 1 A 191 191 LEU C C 191 176.400 177.007 -0.607 1 1 1712 . 8 1 1 A 191 191 LEU CA C 191 54.500 54.418 0.082 1 1 1713 . 8 1 1 A 191 191 LEU CB C 191 42.300 42.022 0.278 1 1 1714 . 8 1 1 A 191 191 LEU N N 191 125.500 123.774 1.726 1 1 1715 . 8 1 1 A 192 192 GLU H H 192 7.540 8.009 -0.469 1 1 1716 . 8 1 1 A 192 192 GLU HA H 192 4.510 4.000 0.510 1 1 1719 . 8 1 1 A 192 192 GLU C C 192 176.100 178.674 -2.574 1 1 1720 . 8 1 1 A 192 192 GLU CA C 192 56.300 58.674 -2.374 1 1 1721 . 8 1 1 A 192 192 GLU CB C 192 29.800 29.941 -0.141 1 1 1722 . 8 1 1 A 192 192 GLU N N 192 123.400 120.817 2.583 1 1 1723 . 8 1 1 A 193 193 GLU H H 193 8.490 8.365 0.125 1 1 1724 . 8 1 1 A 193 193 GLU HA H 193 4.150 4.078 0.072 1 1 1727 . 8 1 1 A 193 193 GLU C C 193 176.700 176.053 0.647 1 1 1728 . 8 1 1 A 193 193 GLU CA C 193 59.200 59.720 -0.520 1 1 1729 . 8 1 1 A 193 193 GLU CB C 193 29.000 29.722 -0.722 1 1 1730 . 8 1 1 A 193 193 GLU N N 193 122.400 120.388 2.012 1 1 1731 . 8 1 1 A 194 194 GLU H H 194 7.990 7.816 0.174 1 1 1732 . 8 1 1 A 194 194 GLU HA H 194 4.460 4.743 -0.283 1 1 1736 . 8 1 1 A 194 194 GLU C C 194 175.700 175.023 0.677 1 1 1737 . 8 1 1 A 194 194 GLU CA C 194 54.900 55.162 -0.262 1 1 1738 . 8 1 1 A 194 194 GLU CB C 194 31.400 31.588 -0.188 1 1 1739 . 8 1 1 A 194 194 GLU N N 194 116.200 115.335 0.865 1 1 1740 . 8 1 1 A 195 195 MET H H 195 8.760 8.264 0.496 1 1 1741 . 8 1 1 A 195 195 MET HA H 195 5.050 5.072 -0.022 1 1 1746 . 8 1 1 A 195 195 MET C C 195 175.900 175.095 0.805 1 1 1747 . 8 1 1 A 195 195 MET CA C 195 56.000 53.852 2.148 1 1 1748 . 8 1 1 A 195 195 MET CB C 195 33.200 32.958 0.242 1 1 1749 . 8 1 1 A 195 195 MET N N 195 123.000 121.107 1.893 1 1 1750 . 8 1 1 A 196 196 THR H H 196 8.400 8.129 0.271 1 1 1751 . 8 1 1 A 196 196 THR HA H 196 4.400 5.268 -0.868 1 1 1756 . 8 1 1 A 196 196 THR C C 196 172.000 173.489 -1.489 1 1 1757 . 8 1 1 A 196 196 THR CA C 196 62.900 59.792 3.108 1 1 1758 . 8 1 1 A 196 196 THR CB C 196 69.800 71.352 -1.552 1 1 1759 . 8 1 1 A 196 196 THR N N 196 122.000 114.761 7.239 1 1 1760 . 8 1 1 A 197 197 LYS H H 197 8.530 8.934 -0.404 1 1 1761 . 8 1 1 A 197 197 LYS HA H 197 5.420 4.991 0.429 1 1 1764 . 8 1 1 A 197 197 LYS C C 197 174.700 174.644 0.056 1 1 1765 . 8 1 1 A 197 197 LYS CA C 197 55.000 54.911 0.089 1 1 1766 . 8 1 1 A 197 197 LYS CB C 197 35.600 35.084 0.516 1 1 1767 . 8 1 1 A 197 197 LYS N N 197 123.900 122.928 0.972 1 1 1768 . 8 1 1 A 198 198 TYR H H 198 9.540 9.355 0.185 1 1 1769 . 8 1 1 A 198 198 TYR HA H 198 4.880 5.360 -0.480 1 1 1772 . 8 1 1 A 198 198 TYR C C 198 174.400 173.600 0.800 1 1 1773 . 8 1 1 A 198 198 TYR CA C 198 57.700 56.453 1.247 1 1 1774 . 8 1 1 A 198 198 TYR CB C 198 41.700 42.038 -0.338 1 1 1775 . 8 1 1 A 198 198 TYR N N 198 117.900 124.454 -6.554 1 1 1776 . 8 1 1 A 199 199 LYS H H 199 9.290 8.535 0.755 1 1 1777 . 8 1 1 A 199 199 LYS HA H 199 5.070 4.934 0.136 1 1 1781 . 8 1 1 A 199 199 LYS CA C 199 52.500 53.137 -0.637 1 1 1782 . 8 1 1 A 199 199 LYS CB C 199 35.400 35.337 0.063 1 1 1783 . 8 1 1 A 199 199 LYS N N 199 122.600 128.233 -5.633 1 1 1784 . 8 1 1 A 200 200 PRO HA H 200 4.120 5.018 -0.898 1 1 1785 . 8 1 1 A 200 200 PRO C C 200 176.700 175.787 0.913 1 1 1786 . 8 1 1 A 200 200 PRO CA C 200 62.000 62.628 -0.628 1 1 1787 . 8 1 1 A 200 200 PRO CB C 200 31.200 33.725 -2.525 1 1 1788 . 8 1 1 A 201 201 GLU H H 201 9.010 9.144 -0.134 1 1 1789 . 8 1 1 A 201 201 GLU HA H 201 4.110 4.525 -0.415 1 1 1793 . 8 1 1 A 201 201 GLU C C 201 176.100 175.897 0.203 1 1 1794 . 8 1 1 A 201 201 GLU CA C 201 57.600 57.953 -0.353 1 1 1795 . 8 1 1 A 201 201 GLU CB C 201 30.400 31.043 -0.643 1 1 1796 . 8 1 1 A 201 201 GLU N N 201 119.700 120.866 -1.166 1 1 1797 . 8 1 1 A 202 202 SER H H 202 7.570 8.413 -0.843 1 1 1798 . 8 1 1 A 202 202 SER HA H 202 4.650 4.556 0.094 1 1 1801 . 8 1 1 A 202 202 SER C C 202 174.400 173.832 0.568 1 1 1802 . 8 1 1 A 202 202 SER CA C 202 56.400 58.794 -2.394 1 1 1803 . 8 1 1 A 202 202 SER CB C 202 65.100 64.280 0.820 1 1 1804 . 8 1 1 A 202 202 SER N N 202 111.900 115.451 -3.551 1 1 1805 . 8 1 1 A 203 203 GLU H H 203 8.790 9.048 -0.258 1 1 1806 . 8 1 1 A 203 203 GLU HA H 203 4.370 5.147 -0.777 1 1 1809 . 8 1 1 A 203 203 GLU C C 203 176.100 174.855 1.245 1 1 1810 . 8 1 1 A 203 203 GLU CA C 203 56.200 54.906 1.294 1 1 1811 . 8 1 1 A 203 203 GLU CB C 203 29.500 32.063 -2.563 1 1 1812 . 8 1 1 A 203 203 GLU N N 203 122.800 120.496 2.304 1 1 1813 . 8 1 1 A 204 204 GLU H H 204 8.030 8.997 -0.967 1 1 1814 . 8 1 1 A 204 204 GLU HA H 204 4.110 4.666 -0.556 1 1 1817 . 8 1 1 A 204 204 GLU C C 204 176.300 175.240 1.060 1 1 1818 . 8 1 1 A 204 204 GLU CA C 204 57.300 56.300 1.000 1 1 1819 . 8 1 1 A 204 204 GLU CB C 204 31.100 31.006 0.094 1 1 1820 . 8 1 1 A 204 204 GLU N N 204 120.700 121.920 -1.220 1 1 1821 . 8 1 1 A 205 205 LEU H H 205 8.690 8.195 0.495 1 1 1822 . 8 1 1 A 205 205 LEU HA H 205 4.580 4.985 -0.405 1 1 1831 . 8 1 1 A 205 205 LEU C C 205 176.300 177.499 -1.199 1 1 1832 . 8 1 1 A 205 205 LEU CA C 205 53.100 53.228 -0.128 1 1 1833 . 8 1 1 A 205 205 LEU CB C 205 41.100 45.319 -4.219 1 1 1834 . 8 1 1 A 205 205 LEU N N 205 125.500 122.183 3.317 1 1 1835 . 8 1 1 A 206 206 THR H H 206 6.800 8.916 -2.116 1 1 1836 . 8 1 1 A 206 206 THR HA H 206 4.370 4.008 0.362 1 1 1841 . 8 1 1 A 206 206 THR C C 206 175.200 176.284 -1.084 1 1 1842 . 8 1 1 A 206 206 THR CA C 206 59.400 65.676 -6.276 1 1 1843 . 8 1 1 A 206 206 THR CB C 206 70.400 68.105 2.295 1 1 1844 . 8 1 1 A 206 206 THR N N 206 108.200 118.568 -10.368 1 1 1845 . 8 1 1 A 207 207 ALA H H 207 9.320 8.238 1.082 1 1 1846 . 8 1 1 A 207 207 ALA HA H 207 4.010 3.780 0.230 1 1 1850 . 8 1 1 A 207 207 ALA C C 207 180.800 180.430 0.370 1 1 1851 . 8 1 1 A 207 207 ALA CA C 207 56.000 55.356 0.644 1 1 1852 . 8 1 1 A 207 207 ALA CB C 207 18.200 18.274 -0.074 1 1 1853 . 8 1 1 A 207 207 ALA N N 207 125.300 123.994 1.306 1 1 1854 . 8 1 1 A 208 208 GLU H H 208 9.390 8.202 1.188 1 1 1855 . 8 1 1 A 208 208 GLU HA H 208 4.050 4.023 0.027 1 1 1859 . 8 1 1 A 208 208 GLU C C 208 179.100 179.057 0.043 1 1 1860 . 8 1 1 A 208 208 GLU CA C 208 60.200 59.420 0.780 1 1 1861 . 8 1 1 A 208 208 GLU CB C 208 29.100 29.118 -0.018 1 1 1862 . 8 1 1 A 208 208 GLU N N 208 118.500 118.000 0.500 1 1 1863 . 8 1 1 A 209 209 ARG H H 209 7.700 8.728 -1.028 1 1 1864 . 8 1 1 A 209 209 ARG HA H 209 4.230 4.025 0.205 1 1 1867 . 8 1 1 A 209 209 ARG C C 209 180.000 178.751 1.249 1 1 1868 . 8 1 1 A 209 209 ARG CA C 209 57.900 58.984 -1.084 1 1 1869 . 8 1 1 A 209 209 ARG CB C 209 30.100 30.306 -0.206 1 1 1870 . 8 1 1 A 209 209 ARG N N 209 119.700 120.092 -0.392 1 1 1871 . 8 1 1 A 210 210 ILE H H 210 8.540 7.443 1.097 1 1 1872 . 8 1 1 A 210 210 ILE HA H 210 3.950 3.629 0.321 1 1 1880 . 8 1 1 A 210 210 ILE C C 210 178.000 177.838 0.162 1 1 1881 . 8 1 1 A 210 210 ILE CA C 210 65.400 64.108 1.292 1 1 1882 . 8 1 1 A 210 210 ILE CB C 210 38.300 37.395 0.905 1 1 1883 . 8 1 1 A 210 210 ILE N N 210 122.000 118.458 3.542 1 1 1884 . 8 1 1 A 211 211 THR H H 211 8.620 8.395 0.225 1 1 1885 . 8 1 1 A 211 211 THR HA H 211 4.040 3.803 0.237 1 1 1890 . 8 1 1 A 211 211 THR C C 211 175.300 176.038 -0.738 1 1 1891 . 8 1 1 A 211 211 THR CA C 211 67.800 67.101 0.699 1 1 1892 . 8 1 1 A 211 211 THR CB C 211 68.300 68.258 0.042 1 1 1893 . 8 1 1 A 211 211 THR N N 211 117.100 118.231 -1.131 1 1 1894 . 8 1 1 A 212 212 GLU H H 212 8.050 7.996 0.054 1 1 1895 . 8 1 1 A 212 212 GLU HA H 212 4.280 4.026 0.254 1 1 1898 . 8 1 1 A 212 212 GLU C C 212 177.200 179.371 -2.171 1 1 1899 . 8 1 1 A 212 212 GLU CA C 212 59.700 59.471 0.229 1 1 1900 . 8 1 1 A 212 212 GLU CB C 212 30.300 29.639 0.661 1 1 1901 . 8 1 1 A 212 212 GLU N N 212 121.600 121.394 0.206 1 1 1902 . 8 1 1 A 213 213 PHE H H 213 7.890 8.219 -0.329 1 1 1903 . 8 1 1 A 213 213 PHE HA H 213 4.620 4.488 0.132 1 1 1906 . 8 1 1 A 213 213 PHE C C 213 176.300 178.499 -2.199 1 1 1907 . 8 1 1 A 213 213 PHE CA C 213 59.300 60.733 -1.433 1 1 1908 . 8 1 1 A 213 213 PHE CB C 213 38.700 38.661 0.039 1 1 1909 . 8 1 1 A 213 213 PHE N N 213 119.700 119.403 0.297 1 1 1910 . 8 1 1 A 214 214 CYS H H 214 7.700 7.833 -0.133 1 1 1911 . 8 1 1 A 214 214 CYS HA H 214 3.260 3.936 -0.676 1 1 1914 . 8 1 1 A 214 214 CYS C C 214 177.000 177.051 -0.051 1 1 1915 . 8 1 1 A 214 214 CYS CA C 214 64.500 63.921 0.579 1 1 1916 . 8 1 1 A 214 214 CYS CB C 214 27.400 26.590 0.810 1 1 1917 . 8 1 1 A 214 214 CYS N N 214 116.000 116.969 -0.969 1 1 1918 . 8 1 1 A 215 215 HIS H H 215 8.640 8.175 0.465 1 1 1919 . 8 1 1 A 215 215 HIS HA H 215 4.500 4.144 0.356 1 1 1922 . 8 1 1 A 215 215 HIS C C 215 178.100 176.971 1.129 1 1 1923 . 8 1 1 A 215 215 HIS CA C 215 60.300 59.935 0.365 1 1 1924 . 8 1 1 A 215 215 HIS CB C 215 30.300 29.468 0.832 1 1 1925 . 8 1 1 A 215 215 HIS N N 215 118.100 120.442 -2.342 1 1 1926 . 8 1 1 A 216 216 ARG H H 216 8.730 8.229 0.501 1 1 1927 . 8 1 1 A 216 216 ARG HA H 216 3.920 3.663 0.257 1 1 1930 . 8 1 1 A 216 216 ARG C C 216 179.100 178.939 0.161 1 1 1931 . 8 1 1 A 216 216 ARG CA C 216 59.800 59.829 -0.029 1 1 1932 . 8 1 1 A 216 216 ARG CB C 216 30.100 29.742 0.358 1 1 1933 . 8 1 1 A 216 216 ARG N N 216 118.700 118.252 0.448 1 1 1934 . 8 1 1 A 217 217 PHE H H 217 8.390 7.925 0.465 1 1 1935 . 8 1 1 A 217 217 PHE HA H 217 3.970 4.074 -0.104 1 1 1938 . 8 1 1 A 217 217 PHE C C 217 179.200 177.692 1.508 1 1 1939 . 8 1 1 A 217 217 PHE CA C 217 60.700 61.084 -0.384 1 1 1940 . 8 1 1 A 217 217 PHE CB C 217 37.800 38.897 -1.097 1 1 1941 . 8 1 1 A 217 217 PHE N N 217 120.600 120.368 0.232 1 1 1942 . 8 1 1 A 218 218 LEU H H 218 8.250 9.153 -0.903 1 1 1943 . 8 1 1 A 218 218 LEU HA H 218 3.500 4.136 -0.636 1 1 1953 . 8 1 1 A 218 218 LEU C C 218 178.800 178.607 0.193 1 1 1954 . 8 1 1 A 218 218 LEU CA C 218 57.400 57.677 -0.277 1 1 1955 . 8 1 1 A 218 218 LEU CB C 218 41.300 41.415 -0.115 1 1 1956 . 8 1 1 A 218 218 LEU N N 218 123.500 120.258 3.242 1 1 1957 . 8 1 1 A 219 219 GLU H H 219 7.770 7.450 0.320 1 1 1958 . 8 1 1 A 219 219 GLU HA H 219 4.200 4.442 -0.242 1 1 1963 . 8 1 1 A 219 219 GLU C C 219 176.800 176.718 0.082 1 1 1964 . 8 1 1 A 219 219 GLU CA C 219 56.200 56.381 -0.181 1 1 1965 . 8 1 1 A 219 219 GLU CB C 219 30.600 30.270 0.330 1 1 1966 . 8 1 1 A 219 219 GLU N N 219 116.400 118.890 -2.490 1 1 1967 . 8 1 1 A 220 220 GLY H H 220 7.720 8.409 -0.689 1 1 1968 . 8 1 1 A 220 220 GLY HA2 H 220 3.890 3.889 0.001 1 1 1969 . 8 1 1 A 220 220 GLY HA3 H 220 3.960 3.914 0.046 1 1 1970 . 8 1 1 A 220 220 GLY C C 220 176.300 174.924 1.376 1 1 1971 . 8 1 1 A 220 220 GLY CA C 220 46.300 46.052 0.248 1 1 1972 . 8 1 1 A 220 220 GLY N N 220 108.600 108.900 -0.300 1 1 1973 . 8 1 1 A 221 221 LYS H H 221 8.000 7.113 0.887 1 1 1974 . 8 1 1 A 221 221 LYS HA H 221 4.320 4.158 0.162 1 1 1978 . 8 1 1 A 221 221 LYS C C 221 175.900 176.339 -0.439 1 1 1979 . 8 1 1 A 221 221 LYS CA C 221 56.100 56.583 -0.483 1 1 1980 . 8 1 1 A 221 221 LYS CB C 221 33.700 33.665 0.035 1 1 1981 . 8 1 1 A 221 221 LYS N N 221 116.600 120.700 -4.100 1 1 1982 . 8 1 1 A 222 222 ILE H H 222 7.910 8.320 -0.410 1 1 1983 . 8 1 1 A 222 222 ILE HA H 222 4.570 4.136 0.434 1 1 1992 . 8 1 1 A 222 222 ILE C C 222 175.400 175.633 -0.233 1 1 1993 . 8 1 1 A 222 222 ILE CA C 222 59.200 59.933 -0.733 1 1 1994 . 8 1 1 A 222 222 ILE CB C 222 38.800 39.775 -0.975 1 1 1995 . 8 1 1 A 222 222 ILE N N 222 118.900 119.730 -0.830 1 1 1996 . 8 1 1 A 223 223 LYS H H 223 8.760 8.330 0.430 1 1 1997 . 8 1 1 A 223 223 LYS HA H 223 4.570 4.456 0.114 1 1 2000 . 8 1 1 A 223 223 LYS CA C 223 54.300 54.367 -0.067 1 1 2001 . 8 1 1 A 223 223 LYS CB C 223 32.000 31.523 0.477 1 1 2002 . 8 1 1 A 223 223 LYS N N 223 127.700 122.397 5.303 1 1 2003 . 8 1 1 A 224 224 PRO C C 224 175.900 177.257 -1.357 1 1 2004 . 8 1 1 A 224 224 PRO CA C 224 63.000 62.702 0.298 1 1 2005 . 8 1 1 A 224 224 PRO CB C 224 32.300 32.808 -0.508 1 1 2006 . 8 1 1 A 225 225 HIS H H 225 8.770 8.955 -0.185 1 1 2007 . 8 1 1 A 225 225 HIS C C 225 174.700 173.989 0.711 1 1 2008 . 8 1 1 A 225 225 HIS CA C 225 55.800 56.802 -1.002 1 1 2009 . 8 1 1 A 225 225 HIS CB C 225 31.100 28.141 2.959 1 1 2010 . 8 1 1 A 225 225 HIS N N 225 121.800 120.785 1.015 1 1 2011 . 8 1 1 A 226 226 LEU H H 226 8.160 7.694 0.466 1 1 2012 . 8 1 1 A 226 226 LEU C C 226 176.400 175.701 0.699 1 1 2013 . 8 1 1 A 226 226 LEU CA C 226 54.500 53.739 0.761 1 1 2014 . 8 1 1 A 226 226 LEU CB C 226 42.300 42.725 -0.425 1 1 2015 . 8 1 1 A 226 226 LEU N N 226 127.000 120.117 6.883 1 1 2016 . 8 1 1 A 227 227 MET H H 227 7.980 8.354 -0.374 1 1 2017 . 8 1 1 A 227 227 MET C C 227 175.100 174.606 0.494 1 1 2018 . 8 1 1 A 227 227 MET CA C 227 55.400 55.493 -0.093 1 1 2019 . 8 1 1 A 227 227 MET CB C 227 33.000 33.859 -0.859 1 1 2020 . 8 1 1 A 227 227 MET N N 227 120.800 124.733 -3.933 1 1 2025 . 8 2 1 A 2 2 PRO C C 2 176.900 176.545 0.355 1 1 2026 . 8 2 1 A 2 2 PRO CA C 2 63.300 65.163 -1.863 1 1 2027 . 8 2 1 A 2 2 PRO CB C 2 32.200 31.677 0.523 1 1 2028 . 8 2 1 A 3 3 LEU H H 3 8.510 7.539 0.971 1 1 2029 . 8 2 1 A 3 3 LEU C C 3 177.700 175.162 2.538 1 1 2030 . 8 2 1 A 3 3 LEU CA C 3 55.300 54.223 1.077 1 1 2031 . 8 2 1 A 3 3 LEU CB C 3 42.100 45.386 -3.286 1 1 2032 . 8 2 1 A 3 3 LEU N N 3 121.400 117.220 4.180 1 1 2033 . 8 2 1 A 4 4 GLY H H 4 8.190 8.865 -0.675 1 1 2034 . 8 2 1 A 4 4 GLY C C 4 172.900 172.517 0.383 1 1 2035 . 8 2 1 A 4 4 GLY CA C 4 45.200 44.344 0.856 1 1 2036 . 8 2 1 A 4 4 GLY N N 4 109.400 114.364 -4.964 1 1 2037 . 8 2 1 A 5 5 SER H H 5 7.830 8.461 -0.631 1 1 2038 . 8 2 1 A 5 5 SER CA C 5 55.500 54.984 0.516 1 1 2039 . 8 2 1 A 5 5 SER CB C 5 64.100 64.431 -0.331 1 1 2040 . 8 2 1 A 5 5 SER N N 5 115.400 113.052 2.348 1 1 2041 . 8 2 1 A 221 221 LYS C C 221 176.800 176.339 0.461 1 1 2042 . 8 2 1 A 221 221 LYS CA C 221 56.100 56.583 -0.483 1 1 2043 . 8 2 1 A 221 221 LYS CB C 221 32.500 33.665 -1.165 1 1 2044 . 8 2 1 A 222 222 ILE H H 222 7.630 8.320 -0.690 1 1 2045 . 8 2 1 A 222 222 ILE C C 222 175.800 175.633 0.167 1 1 2046 . 8 2 1 A 222 222 ILE CA C 222 61.300 59.933 1.367 1 1 2047 . 8 2 1 A 222 222 ILE CB C 222 38.500 39.775 -1.275 1 1 2048 . 8 2 1 A 222 222 ILE N N 222 118.900 119.730 -0.830 1 1 2049 . 8 2 1 A 223 223 LYS H H 223 8.080 8.330 -0.250 1 1 2050 . 8 2 1 A 223 223 LYS CA C 223 54.300 54.367 -0.067 1 1 2051 . 8 2 1 A 223 223 LYS CB C 223 32.400 31.523 0.877 1 1 2052 . 8 2 1 A 223 223 LYS N N 223 125.500 122.397 3.103 1 1 2053 . 8 2 1 A 224 224 PRO C C 224 176.700 177.257 -0.557 1 1 2054 . 8 2 1 A 224 224 PRO CA C 224 63.400 62.702 0.698 1 1 2055 . 8 2 1 A 224 224 PRO CB C 224 31.800 32.808 -1.008 1 1 2056 . 8 2 1 A 225 225 HIS H H 225 8.330 8.955 -0.625 1 1 2057 . 8 2 1 A 225 225 HIS C C 225 175.000 173.989 1.011 1 1 2058 . 8 2 1 A 225 225 HIS CA C 225 56.100 56.802 -0.702 1 1 2059 . 8 2 1 A 225 225 HIS CB C 225 30.300 28.141 2.159 1 1 2060 . 8 2 1 A 225 225 HIS N N 225 119.000 120.785 -1.785 1 1 2061 . 8 2 1 A 226 226 LEU H H 226 8.030 7.694 0.336 1 1 2062 . 8 2 1 A 226 226 LEU C C 226 176.800 175.701 1.099 1 1 2063 . 8 2 1 A 226 226 LEU CA C 226 55.000 53.739 1.261 1 1 2064 . 8 2 1 A 226 226 LEU CB C 226 42.300 42.725 -0.425 1 1 2065 . 8 2 1 A 226 226 LEU N N 226 123.200 120.117 3.083 1 1 2066 . 8 2 1 A 227 227 MET H H 227 8.280 8.354 -0.074 1 1 2067 . 8 2 1 A 227 227 MET CA C 227 55.300 55.493 -0.193 1 1 2068 . 8 2 1 A 227 227 MET CB C 227 32.900 33.859 -0.959 1 1 1 . 9 1 1 A 2 2 PRO C C 2 176.900 175.980 0.920 1 1 2 . 9 1 1 A 2 2 PRO CA C 2 63.000 62.413 0.587 1 1 3 . 9 1 1 A 2 2 PRO CB C 2 32.100 29.530 2.570 1 1 4 . 9 1 1 A 3 3 LEU H H 3 8.510 8.114 0.396 1 1 5 . 9 1 1 A 3 3 LEU HA H 3 4.320 4.571 -0.251 1 1 10 . 9 1 1 A 3 3 LEU C C 3 177.900 176.124 1.776 1 1 11 . 9 1 1 A 3 3 LEU CA C 3 55.500 54.091 1.409 1 1 12 . 9 1 1 A 3 3 LEU CB C 3 42.000 40.433 1.567 1 1 13 . 9 1 1 A 3 3 LEU N N 3 122.400 124.744 -2.344 1 1 14 . 9 1 1 A 4 4 GLY H H 4 8.450 7.727 0.723 1 1 15 . 9 1 1 A 4 4 GLY HA2 H 4 3.900 4.214 -0.314 1 1 16 . 9 1 1 A 4 4 GLY HA3 H 4 4.020 4.216 -0.196 1 1 17 . 9 1 1 A 4 4 GLY C C 4 173.800 171.617 2.183 1 1 18 . 9 1 1 A 4 4 GLY CA C 4 45.100 45.719 -0.619 1 1 19 . 9 1 1 A 4 4 GLY N N 4 110.200 110.665 -0.465 1 1 20 . 9 1 1 A 5 5 SER H H 5 8.040 8.652 -0.612 1 1 21 . 9 1 1 A 5 5 SER HA H 5 4.010 5.145 -1.135 1 1 23 . 9 1 1 A 5 5 SER CA C 5 56.300 55.409 0.891 1 1 24 . 9 1 1 A 5 5 SER CB C 5 63.300 65.981 -2.681 1 1 25 . 9 1 1 A 5 5 SER N N 5 116.900 116.667 0.233 1 1 26 . 9 1 1 A 6 6 PRO HA H 6 4.450 4.521 -0.071 1 1 29 . 9 1 1 A 6 6 PRO C C 6 176.700 177.446 -0.746 1 1 30 . 9 1 1 A 6 6 PRO CA C 6 63.000 63.030 -0.030 1 1 31 . 9 1 1 A 6 6 PRO CB C 6 32.000 31.618 0.382 1 1 32 . 9 1 1 A 7 7 ALA H H 7 8.560 8.406 0.154 1 1 33 . 9 1 1 A 7 7 ALA HA H 7 4.100 4.369 -0.269 1 1 37 . 9 1 1 A 7 7 ALA C C 7 176.600 176.586 0.014 1 1 38 . 9 1 1 A 7 7 ALA CA C 7 53.400 53.026 0.374 1 1 39 . 9 1 1 A 7 7 ALA CB C 7 19.600 19.591 0.009 1 1 40 . 9 1 1 A 7 7 ALA N N 7 123.600 125.742 -2.142 1 1 41 . 9 1 1 A 8 8 ALA H H 8 7.410 7.620 -0.210 1 1 42 . 9 1 1 A 8 8 ALA HA H 8 4.680 5.680 -1.000 1 1 46 . 9 1 1 A 8 8 ALA C C 8 175.900 175.368 0.532 1 1 47 . 9 1 1 A 8 8 ALA CA C 8 50.100 50.205 -0.105 1 1 48 . 9 1 1 A 8 8 ALA CB C 8 21.300 21.890 -0.590 1 1 49 . 9 1 1 A 8 8 ALA N N 8 116.200 119.825 -3.625 1 1 50 . 9 1 1 A 9 9 THR H H 9 8.670 9.573 -0.903 1 1 51 . 9 1 1 A 9 9 THR HA H 9 4.330 5.123 -0.793 1 1 56 . 9 1 1 A 9 9 THR C C 9 174.400 173.810 0.590 1 1 57 . 9 1 1 A 9 9 THR CA C 9 62.600 61.580 1.020 1 1 58 . 9 1 1 A 9 9 THR CB C 9 70.100 70.499 -0.399 1 1 59 . 9 1 1 A 9 9 THR N N 9 119.900 117.138 2.762 1 1 60 . 9 1 1 A 10 10 THR H H 10 9.000 8.855 0.145 1 1 61 . 9 1 1 A 10 10 THR HA H 10 4.580 5.533 -0.953 1 1 66 . 9 1 1 A 10 10 THR C C 10 174.100 173.794 0.306 1 1 67 . 9 1 1 A 10 10 THR CA C 10 63.900 60.474 3.426 1 1 68 . 9 1 1 A 10 10 THR CB C 10 68.500 70.017 -1.517 1 1 69 . 9 1 1 A 10 10 THR N N 10 125.900 119.231 6.669 1 1 70 . 9 1 1 A 11 11 LEU H H 11 9.010 8.729 0.281 1 1 71 . 9 1 1 A 11 11 LEU HA H 11 4.970 4.625 0.345 1 1 77 . 9 1 1 A 11 11 LEU CA C 11 50.200 52.647 -2.447 1 1 78 . 9 1 1 A 11 11 LEU CB C 11 41.700 42.378 -0.678 1 1 79 . 9 1 1 A 11 11 LEU N N 11 127.200 124.159 3.041 1 1 80 . 9 1 1 A 12 12 PRO HA H 12 4.520 4.458 0.062 1 1 83 . 9 1 1 A 12 12 PRO C C 12 175.300 175.972 -0.672 1 1 84 . 9 1 1 A 12 12 PRO CA C 12 63.900 63.984 -0.084 1 1 85 . 9 1 1 A 12 12 PRO CB C 12 32.700 32.007 0.693 1 1 86 . 9 1 1 A 13 13 ASP H H 13 7.110 7.514 -0.404 1 1 87 . 9 1 1 A 13 13 ASP HA H 13 4.420 4.951 -0.531 1 1 90 . 9 1 1 A 13 13 ASP C C 13 175.400 176.830 -1.430 1 1 91 . 9 1 1 A 13 13 ASP CA C 13 52.300 52.757 -0.457 1 1 92 . 9 1 1 A 13 13 ASP CB C 13 42.000 44.793 -2.793 1 1 93 . 9 1 1 A 13 13 ASP N N 13 112.100 118.428 -6.328 1 1 94 . 9 1 1 A 14 14 GLY H H 14 9.120 9.103 0.017 1 1 95 . 9 1 1 A 14 14 GLY HA2 H 14 3.610 3.762 -0.152 1 1 96 . 9 1 1 A 14 14 GLY HA3 H 14 4.010 3.790 0.220 1 1 97 . 9 1 1 A 14 14 GLY C C 14 175.100 175.878 -0.778 1 1 98 . 9 1 1 A 14 14 GLY CA C 14 47.400 47.472 -0.072 1 1 99 . 9 1 1 A 14 14 GLY N N 14 106.600 109.313 -2.713 1 1 100 . 9 1 1 A 15 15 ALA H H 15 8.050 8.050 0.000 1 1 101 . 9 1 1 A 15 15 ALA HA H 15 4.170 4.005 0.165 1 1 105 . 9 1 1 A 15 15 ALA C C 15 180.500 179.729 0.771 1 1 106 . 9 1 1 A 15 15 ALA CA C 15 54.800 54.614 0.186 1 1 107 . 9 1 1 A 15 15 ALA CB C 15 17.600 17.975 -0.375 1 1 108 . 9 1 1 A 15 15 ALA N N 15 125.100 124.581 0.519 1 1 109 . 9 1 1 A 16 16 ALA H H 16 8.260 7.726 0.534 1 1 110 . 9 1 1 A 16 16 ALA HA H 16 4.170 4.015 0.155 1 1 114 . 9 1 1 A 16 16 ALA C C 16 180.500 179.495 1.005 1 1 115 . 9 1 1 A 16 16 ALA CA C 16 54.500 54.894 -0.394 1 1 116 . 9 1 1 A 16 16 ALA CB C 16 18.600 18.279 0.321 1 1 117 . 9 1 1 A 16 16 ALA N N 16 121.600 119.714 1.886 1 1 118 . 9 1 1 A 17 17 ALA H H 17 7.600 8.196 -0.596 1 1 119 . 9 1 1 A 17 17 ALA HA H 17 3.990 3.861 0.129 1 1 123 . 9 1 1 A 17 17 ALA C C 17 177.200 180.391 -3.191 1 1 124 . 9 1 1 A 17 17 ALA CA C 17 55.400 55.289 0.111 1 1 125 . 9 1 1 A 17 17 ALA CB C 17 18.700 17.995 0.705 1 1 126 . 9 1 1 A 17 17 ALA N N 17 120.600 120.363 0.237 1 1 127 . 9 1 1 A 18 18 GLU H H 18 8.450 7.785 0.665 1 1 128 . 9 1 1 A 18 18 GLU HA H 18 3.790 3.962 -0.172 1 1 132 . 9 1 1 A 18 18 GLU C C 18 178.800 179.143 -0.343 1 1 133 . 9 1 1 A 18 18 GLU CA C 18 59.200 59.081 0.119 1 1 134 . 9 1 1 A 18 18 GLU CB C 18 29.500 29.491 0.009 1 1 135 . 9 1 1 A 18 18 GLU N N 18 117.100 117.752 -0.652 1 1 136 . 9 1 1 A 19 19 SER H H 19 7.920 7.745 0.175 1 1 137 . 9 1 1 A 19 19 SER HA H 19 4.150 4.110 0.040 1 1 139 . 9 1 1 A 19 19 SER C C 19 176.800 177.017 -0.217 1 1 140 . 9 1 1 A 19 19 SER CA C 19 61.300 62.221 -0.921 1 1 141 . 9 1 1 A 19 19 SER CB C 19 62.400 62.870 -0.470 1 1 142 . 9 1 1 A 19 19 SER N N 19 112.800 117.399 -4.599 1 1 143 . 9 1 1 A 20 20 LEU H H 20 7.460 7.564 -0.104 1 1 144 . 9 1 1 A 20 20 LEU HA H 20 4.020 3.890 0.130 1 1 153 . 9 1 1 A 20 20 LEU C C 20 179.200 178.999 0.201 1 1 154 . 9 1 1 A 20 20 LEU CA C 20 58.400 57.883 0.517 1 1 155 . 9 1 1 A 20 20 LEU CB C 20 41.600 41.120 0.480 1 1 156 . 9 1 1 A 20 20 LEU N N 20 123.000 119.876 3.124 1 1 157 . 9 1 1 A 21 21 VAL H H 21 7.980 7.764 0.216 1 1 158 . 9 1 1 A 21 21 VAL HA H 21 3.090 3.472 -0.382 1 1 166 . 9 1 1 A 21 21 VAL C C 21 177.600 177.908 -0.308 1 1 167 . 9 1 1 A 21 21 VAL CA C 21 66.800 66.572 0.228 1 1 168 . 9 1 1 A 21 21 VAL CB C 21 31.600 31.624 -0.024 1 1 169 . 9 1 1 A 21 21 VAL N N 21 119.500 119.639 -0.139 1 1 170 . 9 1 1 A 22 22 GLU H H 22 8.180 8.994 -0.814 1 1 171 . 9 1 1 A 22 22 GLU HA H 22 4.040 4.004 0.036 1 1 174 . 9 1 1 A 22 22 GLU C C 22 178.700 178.663 0.037 1 1 175 . 9 1 1 A 22 22 GLU CA C 22 58.000 59.495 -1.495 1 1 176 . 9 1 1 A 22 22 GLU CB C 22 29.500 29.204 0.296 1 1 177 . 9 1 1 A 22 22 GLU N N 22 114.800 119.456 -4.656 1 1 178 . 9 1 1 A 23 23 SER H H 23 7.570 7.499 0.071 1 1 179 . 9 1 1 A 23 23 SER HA H 23 4.360 4.322 0.038 1 1 182 . 9 1 1 A 23 23 SER C C 23 173.700 174.004 -0.304 1 1 183 . 9 1 1 A 23 23 SER CA C 23 59.800 59.906 -0.106 1 1 184 . 9 1 1 A 23 23 SER CB C 23 64.000 63.647 0.353 1 1 185 . 9 1 1 A 23 23 SER N N 23 112.500 113.622 -1.122 1 1 186 . 9 1 1 A 24 24 SER H H 24 7.080 8.764 -1.684 1 1 187 . 9 1 1 A 24 24 SER HA H 24 4.800 4.809 -0.009 1 1 190 . 9 1 1 A 24 24 SER C C 24 172.800 174.188 -1.388 1 1 191 . 9 1 1 A 24 24 SER CA C 24 57.200 57.781 -0.581 1 1 192 . 9 1 1 A 24 24 SER CB C 24 65.400 66.365 -0.965 1 1 193 . 9 1 1 A 24 24 SER N N 24 115.400 116.897 -1.497 1 1 194 . 9 1 1 A 25 25 GLU H H 25 8.700 8.598 0.102 1 1 195 . 9 1 1 A 25 25 GLU HA H 25 3.970 4.061 -0.091 1 1 199 . 9 1 1 A 25 25 GLU C C 25 175.700 176.245 -0.545 1 1 200 . 9 1 1 A 25 25 GLU CA C 25 59.900 59.877 0.023 1 1 201 . 9 1 1 A 25 25 GLU CB C 25 30.300 29.713 0.587 1 1 202 . 9 1 1 A 25 25 GLU N N 25 124.500 125.580 -1.080 1 1 203 . 9 1 1 A 26 26 VAL H H 26 7.320 7.862 -0.542 1 1 204 . 9 1 1 A 26 26 VAL HA H 26 5.000 4.769 0.231 1 1 212 . 9 1 1 A 26 26 VAL C C 26 174.300 173.400 0.900 1 1 213 . 9 1 1 A 26 26 VAL CA C 26 60.500 59.704 0.796 1 1 214 . 9 1 1 A 26 26 VAL CB C 26 35.700 35.378 0.322 1 1 215 . 9 1 1 A 26 26 VAL N N 26 113.500 117.191 -3.691 1 1 216 . 9 1 1 A 27 27 ALA H H 27 9.130 8.640 0.490 1 1 217 . 9 1 1 A 27 27 ALA HA H 27 4.820 5.103 -0.283 1 1 221 . 9 1 1 A 27 27 ALA C C 27 175.000 175.315 -0.315 1 1 222 . 9 1 1 A 27 27 ALA CA C 27 51.200 50.902 0.298 1 1 223 . 9 1 1 A 27 27 ALA CB C 27 23.000 23.805 -0.805 1 1 224 . 9 1 1 A 27 27 ALA N N 27 127.200 129.899 -2.699 1 1 225 . 9 1 1 A 28 28 VAL H H 28 7.980 8.516 -0.536 1 1 226 . 9 1 1 A 28 28 VAL HA H 28 5.080 5.259 -0.179 1 1 234 . 9 1 1 A 28 28 VAL C C 28 174.600 174.053 0.547 1 1 235 . 9 1 1 A 28 28 VAL CA C 28 60.800 59.557 1.243 1 1 236 . 9 1 1 A 28 28 VAL CB C 28 34.300 34.868 -0.568 1 1 237 . 9 1 1 A 28 28 VAL N N 28 120.100 117.845 2.255 1 1 238 . 9 1 1 A 29 29 ILE H H 29 9.080 9.540 -0.460 1 1 239 . 9 1 1 A 29 29 ILE HA H 29 4.780 5.526 -0.746 1 1 247 . 9 1 1 A 29 29 ILE C C 29 173.300 175.167 -1.867 1 1 248 . 9 1 1 A 29 29 ILE CA C 29 60.000 59.636 0.364 1 1 249 . 9 1 1 A 29 29 ILE CB C 29 40.300 41.197 -0.897 1 1 250 . 9 1 1 A 29 29 ILE N N 29 124.300 128.835 -4.535 1 1 251 . 9 1 1 A 30 30 GLY H H 30 8.610 9.477 -0.867 1 1 252 . 9 1 1 A 30 30 GLY HA2 H 30 1.910 4.224 -2.314 1 1 253 . 9 1 1 A 30 30 GLY HA3 H 30 3.960 4.310 -0.350 1 1 254 . 9 1 1 A 30 30 GLY C C 30 169.300 171.958 -2.658 1 1 255 . 9 1 1 A 30 30 GLY CA C 30 44.500 44.180 0.320 1 1 256 . 9 1 1 A 30 30 GLY N N 30 115.800 114.108 1.692 1 1 257 . 9 1 1 A 31 31 PHE H H 31 8.470 9.508 -1.038 1 1 258 . 9 1 1 A 31 31 PHE HA H 31 4.200 5.671 -1.471 1 1 261 . 9 1 1 A 31 31 PHE C C 31 172.800 174.907 -2.107 1 1 262 . 9 1 1 A 31 31 PHE CA C 31 55.000 56.756 -1.756 1 1 263 . 9 1 1 A 31 31 PHE CB C 31 36.500 40.065 -3.565 1 1 264 . 9 1 1 A 31 31 PHE N N 31 127.800 122.538 5.262 1 1 265 . 9 1 1 A 32 32 PHE H H 32 8.200 8.886 -0.686 1 1 266 . 9 1 1 A 32 32 PHE HA H 32 4.980 5.097 -0.117 1 1 269 . 9 1 1 A 32 32 PHE C C 32 174.400 175.716 -1.316 1 1 270 . 9 1 1 A 32 32 PHE CA C 32 55.700 56.300 -0.600 1 1 271 . 9 1 1 A 32 32 PHE CB C 32 42.900 43.594 -0.694 1 1 272 . 9 1 1 A 32 32 PHE N N 32 116.900 120.926 -4.026 1 1 273 . 9 1 1 A 33 33 LYS H H 33 9.420 9.168 0.252 1 1 274 . 9 1 1 A 33 33 LYS HA H 33 4.020 4.659 -0.639 1 1 279 . 9 1 1 A 33 33 LYS C C 33 176.700 176.287 0.413 1 1 280 . 9 1 1 A 33 33 LYS CA C 33 58.900 57.096 1.804 1 1 281 . 9 1 1 A 33 33 LYS CB C 33 31.900 34.144 -2.244 1 1 282 . 9 1 1 A 33 33 LYS N N 33 124.700 122.509 2.191 1 1 283 . 9 1 1 A 34 34 ASP H H 34 8.920 7.973 0.947 1 1 284 . 9 1 1 A 34 34 ASP HA H 34 5.020 4.923 0.097 1 1 287 . 9 1 1 A 34 34 ASP C C 34 177.800 176.473 1.327 1 1 288 . 9 1 1 A 34 34 ASP CA C 34 51.700 52.621 -0.921 1 1 289 . 9 1 1 A 34 34 ASP CB C 34 41.800 40.916 0.884 1 1 290 . 9 1 1 A 34 34 ASP N N 34 117.300 118.685 -1.385 1 1 291 . 9 1 1 A 35 35 VAL H H 35 8.560 8.407 0.153 1 1 292 . 9 1 1 A 35 35 VAL HA H 35 3.790 3.771 0.019 1 1 300 . 9 1 1 A 35 35 VAL C C 35 174.500 177.320 -2.820 1 1 301 . 9 1 1 A 35 35 VAL CA C 35 63.900 65.776 -1.876 1 1 302 . 9 1 1 A 35 35 VAL CB C 35 30.500 31.607 -1.107 1 1 303 . 9 1 1 A 35 35 VAL N N 35 120.700 122.791 -2.091 1 1 304 . 9 1 1 A 36 36 GLU H H 36 8.250 7.987 0.263 1 1 305 . 9 1 1 A 36 36 GLU HA H 36 4.390 4.270 0.120 1 1 309 . 9 1 1 A 36 36 GLU C C 36 176.600 176.569 0.031 1 1 310 . 9 1 1 A 36 36 GLU CA C 36 54.800 57.800 -3.000 1 1 311 . 9 1 1 A 36 36 GLU CB C 36 29.200 29.836 -0.636 1 1 312 . 9 1 1 A 36 36 GLU N N 36 117.200 119.068 -1.868 1 1 313 . 9 1 1 A 37 37 SER H H 37 7.560 7.843 -0.283 1 1 314 . 9 1 1 A 37 37 SER HA H 37 4.300 4.410 -0.110 1 1 317 . 9 1 1 A 37 37 SER C C 37 174.000 175.174 -1.174 1 1 318 . 9 1 1 A 37 37 SER CA C 37 58.100 58.275 -0.175 1 1 319 . 9 1 1 A 37 37 SER CB C 37 65.400 64.162 1.238 1 1 320 . 9 1 1 A 37 37 SER N N 37 116.100 116.227 -0.127 1 1 321 . 9 1 1 A 38 38 ASP H H 38 8.920 8.985 -0.065 1 1 322 . 9 1 1 A 38 38 ASP HA H 38 4.290 4.209 0.081 1 1 324 . 9 1 1 A 38 38 ASP C C 38 179.200 178.443 0.757 1 1 325 . 9 1 1 A 38 38 ASP CA C 38 58.100 56.855 1.245 1 1 326 . 9 1 1 A 38 38 ASP CB C 38 40.100 39.859 0.241 1 1 327 . 9 1 1 A 38 38 ASP N N 38 121.400 127.462 -6.062 1 1 328 . 9 1 1 A 39 39 SER H H 39 8.500 8.330 0.170 1 1 329 . 9 1 1 A 39 39 SER HA H 39 4.050 4.205 -0.155 1 1 331 . 9 1 1 A 39 39 SER C C 39 174.500 176.777 -2.277 1 1 332 . 9 1 1 A 39 39 SER CA C 39 61.500 61.445 0.055 1 1 333 . 9 1 1 A 39 39 SER CB C 39 62.400 62.606 -0.206 1 1 334 . 9 1 1 A 39 39 SER N N 39 114.200 114.744 -0.544 1 1 335 . 9 1 1 A 40 40 ALA H H 40 6.970 7.714 -0.744 1 1 336 . 9 1 1 A 40 40 ALA HA H 40 2.380 3.180 -0.800 1 1 340 . 9 1 1 A 40 40 ALA C C 40 179.600 179.838 -0.238 1 1 341 . 9 1 1 A 40 40 ALA CA C 40 54.500 54.864 -0.364 1 1 342 . 9 1 1 A 40 40 ALA CB C 40 18.600 18.113 0.487 1 1 343 . 9 1 1 A 40 40 ALA N N 40 125.700 122.550 3.150 1 1 344 . 9 1 1 A 41 41 LYS H H 41 8.040 7.593 0.447 1 1 345 . 9 1 1 A 41 41 LYS HA H 41 3.830 3.936 -0.106 1 1 350 . 9 1 1 A 41 41 LYS C C 41 180.500 179.346 1.154 1 1 351 . 9 1 1 A 41 41 LYS CA C 41 60.000 59.360 0.640 1 1 352 . 9 1 1 A 41 41 LYS CB C 41 31.900 32.274 -0.374 1 1 353 . 9 1 1 A 41 41 LYS N N 41 115.800 117.217 -1.417 1 1 354 . 9 1 1 A 42 42 GLN H H 42 7.870 7.875 -0.005 1 1 355 . 9 1 1 A 42 42 GLN HA H 42 3.780 4.025 -0.245 1 1 359 . 9 1 1 A 42 42 GLN C C 42 177.800 178.543 -0.743 1 1 360 . 9 1 1 A 42 42 GLN CA C 42 58.600 59.005 -0.405 1 1 361 . 9 1 1 A 42 42 GLN CB C 42 28.600 28.302 0.298 1 1 362 . 9 1 1 A 42 42 GLN N N 42 119.100 119.894 -0.794 1 1 363 . 9 1 1 A 43 43 PHE H H 43 7.710 7.848 -0.138 1 1 364 . 9 1 1 A 43 43 PHE HA H 43 3.850 4.005 -0.155 1 1 367 . 9 1 1 A 43 43 PHE C C 43 176.200 177.113 -0.913 1 1 368 . 9 1 1 A 43 43 PHE CA C 43 61.300 61.220 0.080 1 1 369 . 9 1 1 A 43 43 PHE CB C 43 39.000 39.271 -0.271 1 1 370 . 9 1 1 A 43 43 PHE N N 43 120.000 120.601 -0.601 1 1 371 . 9 1 1 A 44 44 LEU H H 44 8.360 7.848 0.512 1 1 372 . 9 1 1 A 44 44 LEU HA H 44 3.580 3.790 -0.210 1 1 378 . 9 1 1 A 44 44 LEU C C 44 179.400 178.311 1.089 1 1 379 . 9 1 1 A 44 44 LEU CA C 44 57.400 57.958 -0.558 1 1 380 . 9 1 1 A 44 44 LEU CB C 44 40.900 41.748 -0.848 1 1 381 . 9 1 1 A 44 44 LEU N N 44 119.500 120.664 -1.164 1 1 382 . 9 1 1 A 45 45 GLN H H 45 7.660 8.453 -0.793 1 1 383 . 9 1 1 A 45 45 GLN HA H 45 3.900 3.908 -0.008 1 1 388 . 9 1 1 A 45 45 GLN C C 45 179.300 177.838 1.462 1 1 389 . 9 1 1 A 45 45 GLN CA C 45 58.700 58.493 0.207 1 1 390 . 9 1 1 A 45 45 GLN CB C 45 28.700 28.843 -0.143 1 1 391 . 9 1 1 A 45 45 GLN N N 45 117.700 118.253 -0.553 1 1 392 . 9 1 1 A 46 46 ALA H H 46 7.630 7.660 -0.030 1 1 393 . 9 1 1 A 46 46 ALA HA H 46 3.740 3.982 -0.242 1 1 397 . 9 1 1 A 46 46 ALA C C 46 177.100 179.058 -1.958 1 1 398 . 9 1 1 A 46 46 ALA CA C 46 55.300 54.683 0.617 1 1 399 . 9 1 1 A 46 46 ALA CB C 46 17.500 18.312 -0.812 1 1 400 . 9 1 1 A 46 46 ALA N N 46 123.700 121.620 2.080 1 1 401 . 9 1 1 A 47 47 ALA H H 47 7.330 7.552 -0.222 1 1 402 . 9 1 1 A 47 47 ALA HA H 47 1.790 2.259 -0.469 1 1 406 . 9 1 1 A 47 47 ALA C C 47 178.600 179.536 -0.936 1 1 407 . 9 1 1 A 47 47 ALA CA C 47 53.200 54.401 -1.201 1 1 408 . 9 1 1 A 47 47 ALA CB C 47 17.700 17.763 -0.063 1 1 409 . 9 1 1 A 47 47 ALA N N 47 118.100 119.137 -1.037 1 1 410 . 9 1 1 A 48 48 GLU H H 48 7.020 7.462 -0.442 1 1 411 . 9 1 1 A 48 48 GLU HA H 48 3.840 3.976 -0.136 1 1 415 . 9 1 1 A 48 48 GLU C C 48 177.100 178.274 -1.174 1 1 416 . 9 1 1 A 48 48 GLU CA C 48 57.300 59.139 -1.839 1 1 417 . 9 1 1 A 48 48 GLU CB C 48 29.900 29.414 0.486 1 1 418 . 9 1 1 A 48 48 GLU N N 48 112.900 118.662 -5.762 1 1 419 . 9 1 1 A 49 49 ALA H H 49 7.250 7.539 -0.289 1 1 420 . 9 1 1 A 49 49 ALA HA H 49 4.250 4.096 0.154 1 1 424 . 9 1 1 A 49 49 ALA C C 49 176.900 177.642 -0.742 1 1 425 . 9 1 1 A 49 49 ALA CA C 49 52.600 54.332 -1.732 1 1 426 . 9 1 1 A 49 49 ALA CB C 49 20.100 18.685 1.415 1 1 427 . 9 1 1 A 49 49 ALA N N 49 119.800 120.874 -1.074 1 1 428 . 9 1 1 A 50 50 ILE H H 50 7.030 7.132 -0.102 1 1 429 . 9 1 1 A 50 50 ILE HA H 50 4.370 4.580 -0.210 1 1 439 . 9 1 1 A 50 50 ILE C C 50 174.300 174.968 -0.668 1 1 440 . 9 1 1 A 50 50 ILE CA C 50 59.700 59.343 0.357 1 1 441 . 9 1 1 A 50 50 ILE CB C 50 39.400 40.956 -1.556 1 1 442 . 9 1 1 A 50 50 ILE N N 50 119.300 114.691 4.609 1 1 443 . 9 1 1 A 51 51 ASP H H 51 8.390 8.788 -0.398 1 1 444 . 9 1 1 A 51 51 ASP HA H 51 4.830 4.927 -0.097 1 1 446 . 9 1 1 A 51 51 ASP C C 51 177.500 177.173 0.327 1 1 447 . 9 1 1 A 51 51 ASP CA C 51 54.300 53.350 0.950 1 1 448 . 9 1 1 A 51 51 ASP CB C 51 42.200 40.857 1.343 1 1 449 . 9 1 1 A 51 51 ASP N N 51 123.200 125.686 -2.486 1 1 450 . 9 1 1 A 52 52 ASP H H 52 8.530 8.464 0.066 1 1 451 . 9 1 1 A 52 52 ASP HA H 52 4.570 4.426 0.144 1 1 454 . 9 1 1 A 52 52 ASP C C 52 175.000 175.898 -0.898 1 1 455 . 9 1 1 A 52 52 ASP CA C 52 54.600 56.621 -2.021 1 1 456 . 9 1 1 A 52 52 ASP CB C 52 40.200 40.358 -0.158 1 1 457 . 9 1 1 A 52 52 ASP N N 52 116.000 118.997 -2.997 1 1 458 . 9 1 1 A 53 53 ILE H H 53 7.150 7.764 -0.614 1 1 459 . 9 1 1 A 53 53 ILE HA H 53 4.570 4.552 0.018 1 1 469 . 9 1 1 A 53 53 ILE CA C 53 57.700 57.274 0.426 1 1 470 . 9 1 1 A 53 53 ILE CB C 53 42.000 40.428 1.572 1 1 471 . 9 1 1 A 53 53 ILE N N 53 119.300 118.521 0.779 1 1 472 . 9 1 1 A 54 54 PRO C C 54 175.100 175.882 -0.782 1 1 473 . 9 1 1 A 54 54 PRO CA C 54 62.700 63.230 -0.530 1 1 474 . 9 1 1 A 54 54 PRO CB C 54 32.500 32.108 0.392 1 1 475 . 9 1 1 A 55 55 PHE H H 55 8.780 8.608 0.172 1 1 476 . 9 1 1 A 55 55 PHE HA H 55 5.840 5.758 0.082 1 1 479 . 9 1 1 A 55 55 PHE C C 55 176.900 175.374 1.526 1 1 480 . 9 1 1 A 55 55 PHE CA C 55 55.600 56.250 -0.650 1 1 481 . 9 1 1 A 55 55 PHE CB C 55 42.000 41.790 0.210 1 1 482 . 9 1 1 A 55 55 PHE N N 55 119.900 121.368 -1.468 1 1 483 . 9 1 1 A 56 56 GLY H H 56 9.510 9.584 -0.074 1 1 484 . 9 1 1 A 56 56 GLY HA2 H 56 3.350 4.249 -0.899 1 1 485 . 9 1 1 A 56 56 GLY HA3 H 56 5.620 4.298 1.322 1 1 486 . 9 1 1 A 56 56 GLY C C 56 170.800 172.527 -1.727 1 1 487 . 9 1 1 A 56 56 GLY CA C 56 43.400 43.864 -0.464 1 1 488 . 9 1 1 A 56 56 GLY N N 56 109.000 109.063 -0.063 1 1 489 . 9 1 1 A 57 57 ILE H H 57 8.930 8.453 0.477 1 1 490 . 9 1 1 A 57 57 ILE HA H 57 5.570 5.362 0.208 1 1 499 . 9 1 1 A 57 57 ILE C C 57 172.000 174.962 -2.962 1 1 500 . 9 1 1 A 57 57 ILE CA C 57 58.400 59.615 -1.215 1 1 501 . 9 1 1 A 57 57 ILE CB C 57 42.900 42.287 0.613 1 1 502 . 9 1 1 A 57 57 ILE N N 57 120.800 120.614 0.186 1 1 503 . 9 1 1 A 58 58 THR H H 58 8.660 8.833 -0.173 1 1 504 . 9 1 1 A 58 58 THR HA H 58 4.960 5.097 -0.137 1 1 509 . 9 1 1 A 58 58 THR C C 58 170.000 174.066 -4.066 1 1 510 . 9 1 1 A 58 58 THR CA C 58 60.100 59.990 0.110 1 1 511 . 9 1 1 A 58 58 THR CB C 58 72.100 70.330 1.770 1 1 512 . 9 1 1 A 58 58 THR N N 58 121.200 116.126 5.074 1 1 513 . 9 1 1 A 59 59 SER H H 59 8.710 8.589 0.121 1 1 514 . 9 1 1 A 59 59 SER HA H 59 5.200 4.902 0.298 1 1 517 . 9 1 1 A 59 59 SER C C 59 173.900 174.840 -0.940 1 1 518 . 9 1 1 A 59 59 SER CA C 59 56.700 58.259 -1.559 1 1 519 . 9 1 1 A 59 59 SER CB C 59 65.700 65.004 0.696 1 1 520 . 9 1 1 A 59 59 SER N N 59 119.900 115.337 4.563 1 1 521 . 9 1 1 A 60 60 ASN H H 60 8.030 7.611 0.419 1 1 522 . 9 1 1 A 60 60 ASN HA H 60 4.790 4.796 -0.006 1 1 524 . 9 1 1 A 60 60 ASN CA C 60 53.200 53.336 -0.136 1 1 525 . 9 1 1 A 60 60 ASN CB C 60 39.500 38.886 0.614 1 1 526 . 9 1 1 A 60 60 ASN N N 60 122.200 121.419 0.781 1 1 528 . 9 1 1 A 61 61 SER C C 61 175.900 176.452 -0.552 1 1 529 . 9 1 1 A 61 61 SER CA C 61 62.500 61.832 0.668 1 1 530 . 9 1 1 A 61 61 SER CB C 61 62.500 63.114 -0.614 1 1 531 . 9 1 1 A 62 62 ASP H H 62 8.630 8.226 0.404 1 1 532 . 9 1 1 A 62 62 ASP HA H 62 4.530 4.479 0.051 1 1 535 . 9 1 1 A 62 62 ASP C C 62 179.000 178.893 0.107 1 1 536 . 9 1 1 A 62 62 ASP CA C 62 57.400 57.291 0.109 1 1 537 . 9 1 1 A 62 62 ASP CB C 62 40.000 42.067 -2.067 1 1 538 . 9 1 1 A 62 62 ASP N N 62 122.200 121.922 0.278 1 1 539 . 9 1 1 A 63 63 VAL H H 63 8.030 7.633 0.397 1 1 540 . 9 1 1 A 63 63 VAL HA H 63 3.750 3.646 0.104 1 1 548 . 9 1 1 A 63 63 VAL C C 63 177.900 178.332 -0.432 1 1 549 . 9 1 1 A 63 63 VAL CA C 63 65.800 66.613 -0.813 1 1 550 . 9 1 1 A 63 63 VAL CB C 63 30.700 31.691 -0.991 1 1 551 . 9 1 1 A 63 63 VAL N N 63 122.400 119.523 2.877 1 1 552 . 9 1 1 A 64 64 PHE H H 64 7.980 8.871 -0.891 1 1 553 . 9 1 1 A 64 64 PHE HA H 64 4.200 4.625 -0.425 1 1 556 . 9 1 1 A 64 64 PHE C C 64 178.800 178.548 0.252 1 1 557 . 9 1 1 A 64 64 PHE CA C 64 61.700 60.411 1.289 1 1 558 . 9 1 1 A 64 64 PHE CB C 64 37.500 38.721 -1.221 1 1 559 . 9 1 1 A 64 64 PHE N N 64 120.100 119.584 0.516 1 1 560 . 9 1 1 A 65 65 SER H H 65 8.090 8.155 -0.065 1 1 561 . 9 1 1 A 65 65 SER HA H 65 4.210 4.253 -0.043 1 1 563 . 9 1 1 A 65 65 SER C C 65 177.800 176.813 0.987 1 1 564 . 9 1 1 A 65 65 SER CA C 65 61.600 62.093 -0.493 1 1 565 . 9 1 1 A 65 65 SER CB C 65 62.300 62.849 -0.549 1 1 566 . 9 1 1 A 65 65 SER N N 65 112.100 115.458 -3.358 1 1 567 . 9 1 1 A 66 66 LYS H H 66 7.650 7.863 -0.213 1 1 568 . 9 1 1 A 66 66 LYS HA H 66 3.870 4.203 -0.333 1 1 572 . 9 1 1 A 66 66 LYS C C 66 176.700 177.645 -0.945 1 1 573 . 9 1 1 A 66 66 LYS CA C 66 58.900 59.233 -0.333 1 1 574 . 9 1 1 A 66 66 LYS CB C 66 32.700 32.197 0.503 1 1 575 . 9 1 1 A 66 66 LYS N N 66 124.100 121.422 2.678 1 1 576 . 9 1 1 A 67 67 TYR H H 67 7.040 7.636 -0.596 1 1 577 . 9 1 1 A 67 67 TYR HA H 67 4.640 4.665 -0.025 1 1 580 . 9 1 1 A 67 67 TYR C C 67 173.600 175.191 -1.591 1 1 581 . 9 1 1 A 67 67 TYR CA C 67 58.400 58.800 -0.400 1 1 582 . 9 1 1 A 67 67 TYR CB C 67 37.700 38.888 -1.188 1 1 583 . 9 1 1 A 67 67 TYR N N 67 113.800 120.052 -6.252 1 1 584 . 9 1 1 A 68 68 GLN H H 68 7.850 7.962 -0.112 1 1 585 . 9 1 1 A 68 68 GLN HA H 68 3.830 3.841 -0.011 1 1 588 . 9 1 1 A 68 68 GLN C C 68 174.700 174.068 0.632 1 1 589 . 9 1 1 A 68 68 GLN CA C 68 57.400 56.874 0.526 1 1 590 . 9 1 1 A 68 68 GLN CB C 68 25.000 26.513 -1.513 1 1 591 . 9 1 1 A 68 68 GLN N N 68 113.700 118.060 -4.360 1 1 592 . 9 1 1 A 69 69 LEU H H 69 8.070 8.449 -0.379 1 1 593 . 9 1 1 A 69 69 LEU HA H 69 4.530 4.760 -0.230 1 1 602 . 9 1 1 A 69 69 LEU C C 69 176.800 175.719 1.081 1 1 603 . 9 1 1 A 69 69 LEU CA C 69 54.900 53.599 1.301 1 1 604 . 9 1 1 A 69 69 LEU CB C 69 43.200 44.234 -1.034 1 1 605 . 9 1 1 A 69 69 LEU N N 69 120.800 118.720 2.080 1 1 606 . 9 1 1 A 70 70 ASP H H 70 8.580 9.048 -0.468 1 1 607 . 9 1 1 A 70 70 ASP HA H 70 4.650 4.801 -0.151 1 1 610 . 9 1 1 A 70 70 ASP C C 70 174.800 175.539 -0.739 1 1 611 . 9 1 1 A 70 70 ASP CA C 70 53.200 55.040 -1.840 1 1 612 . 9 1 1 A 70 70 ASP CB C 70 41.600 43.983 -2.383 1 1 613 . 9 1 1 A 70 70 ASP N N 70 120.400 123.463 -3.063 1 1 614 . 9 1 1 A 71 71 LYS H H 71 7.720 7.932 -0.212 1 1 615 . 9 1 1 A 71 71 LYS HA H 71 4.550 4.681 -0.131 1 1 619 . 9 1 1 A 71 71 LYS C C 71 173.100 176.068 -2.968 1 1 620 . 9 1 1 A 71 71 LYS CA C 71 54.300 54.478 -0.178 1 1 621 . 9 1 1 A 71 71 LYS CB C 71 34.100 34.216 -0.116 1 1 622 . 9 1 1 A 71 71 LYS N N 71 117.300 117.434 -0.134 1 1 623 . 9 1 1 A 72 72 ASP H H 72 7.780 8.611 -0.831 1 1 624 . 9 1 1 A 72 72 ASP HA H 72 4.650 4.637 0.013 1 1 627 . 9 1 1 A 72 72 ASP C C 72 177.600 175.767 1.833 1 1 628 . 9 1 1 A 72 72 ASP CA C 72 54.500 53.976 0.524 1 1 629 . 9 1 1 A 72 72 ASP CB C 72 41.500 41.813 -0.313 1 1 630 . 9 1 1 A 72 72 ASP N N 72 116.900 122.323 -5.423 1 1 631 . 9 1 1 A 73 73 GLY H H 73 8.660 8.481 0.179 1 1 632 . 9 1 1 A 73 73 GLY HA2 H 73 3.890 4.022 -0.132 1 1 633 . 9 1 1 A 73 73 GLY C C 73 169.700 172.306 -2.606 1 1 634 . 9 1 1 A 73 73 GLY CA C 73 45.500 44.750 0.750 1 1 635 . 9 1 1 A 73 73 GLY N N 73 107.400 106.932 0.468 1 1 636 . 9 1 1 A 74 74 VAL H H 74 8.490 8.112 0.378 1 1 637 . 9 1 1 A 74 74 VAL HA H 74 4.840 5.031 -0.191 1 1 642 . 9 1 1 A 74 74 VAL C C 74 173.500 175.035 -1.535 1 1 643 . 9 1 1 A 74 74 VAL CA C 74 61.300 60.653 0.647 1 1 644 . 9 1 1 A 74 74 VAL CB C 74 35.500 33.574 1.926 1 1 645 . 9 1 1 A 74 74 VAL N N 74 117.900 120.893 -2.993 1 1 646 . 9 1 1 A 75 75 VAL H H 75 8.930 9.600 -0.670 1 1 647 . 9 1 1 A 75 75 VAL HA H 75 4.580 5.467 -0.887 1 1 655 . 9 1 1 A 75 75 VAL C C 75 172.700 173.874 -1.174 1 1 656 . 9 1 1 A 75 75 VAL CA C 75 61.100 60.537 0.563 1 1 657 . 9 1 1 A 75 75 VAL CB C 75 35.600 36.190 -0.590 1 1 658 . 9 1 1 A 75 75 VAL N N 75 126.900 126.728 0.172 1 1 659 . 9 1 1 A 76 76 LEU H H 76 8.690 9.242 -0.552 1 1 660 . 9 1 1 A 76 76 LEU HA H 76 4.980 5.217 -0.237 1 1 666 . 9 1 1 A 76 76 LEU C C 76 173.400 174.588 -1.188 1 1 667 . 9 1 1 A 76 76 LEU CA C 76 54.200 53.647 0.553 1 1 668 . 9 1 1 A 76 76 LEU CB C 76 46.000 44.758 1.242 1 1 669 . 9 1 1 A 76 76 LEU N N 76 128.000 129.400 -1.400 1 1 670 . 9 1 1 A 77 77 PHE H H 77 9.600 9.933 -0.333 1 1 671 . 9 1 1 A 77 77 PHE HA H 77 4.930 5.414 -0.484 1 1 674 . 9 1 1 A 77 77 PHE C C 77 173.800 175.148 -1.348 1 1 675 . 9 1 1 A 77 77 PHE CA C 77 56.800 57.188 -0.388 1 1 676 . 9 1 1 A 77 77 PHE CB C 77 42.100 41.198 0.902 1 1 677 . 9 1 1 A 77 77 PHE N N 77 126.500 126.248 0.252 1 1 678 . 9 1 1 A 78 78 LYS H H 78 8.410 8.180 0.230 1 1 679 . 9 1 1 A 78 78 LYS HA H 78 5.410 5.009 0.401 1 1 684 . 9 1 1 A 78 78 LYS C C 78 176.600 176.745 -0.145 1 1 685 . 9 1 1 A 78 78 LYS CA C 78 53.500 54.418 -0.918 1 1 686 . 9 1 1 A 78 78 LYS CB C 78 34.600 36.060 -1.460 1 1 687 . 9 1 1 A 78 78 LYS N N 78 115.800 121.701 -5.901 1 1 688 . 9 1 1 A 79 79 LYS H H 79 8.010 8.947 -0.937 1 1 689 . 9 1 1 A 79 79 LYS HA H 79 4.370 4.071 0.299 1 1 693 . 9 1 1 A 79 79 LYS C C 79 175.000 176.274 -1.274 1 1 694 . 9 1 1 A 79 79 LYS CA C 79 56.000 59.578 -3.578 1 1 695 . 9 1 1 A 79 79 LYS CB C 79 31.900 32.872 -0.972 1 1 696 . 9 1 1 A 79 79 LYS N N 79 121.400 124.305 -2.905 1 1 697 . 9 1 1 A 80 80 PHE H H 80 6.620 8.186 -1.566 1 1 698 . 9 1 1 A 80 80 PHE HA H 80 4.880 5.009 -0.129 1 1 700 . 9 1 1 A 80 80 PHE C C 80 174.000 174.838 -0.838 1 1 701 . 9 1 1 A 80 80 PHE CA C 80 54.400 55.553 -1.153 1 1 702 . 9 1 1 A 80 80 PHE CB C 80 40.400 41.559 -1.159 1 1 703 . 9 1 1 A 80 80 PHE N N 80 113.500 113.060 0.440 1 1 704 . 9 1 1 A 81 81 ASP H H 81 8.980 8.646 0.334 1 1 705 . 9 1 1 A 81 81 ASP HA H 81 4.270 4.112 0.158 1 1 708 . 9 1 1 A 81 81 ASP C C 81 176.600 176.468 0.132 1 1 709 . 9 1 1 A 81 81 ASP CA C 81 56.000 55.601 0.399 1 1 710 . 9 1 1 A 81 81 ASP CB C 81 40.200 39.625 0.575 1 1 711 . 9 1 1 A 81 81 ASP N N 81 117.700 118.409 -0.709 1 1 712 . 9 1 1 A 82 82 GLU H H 82 10.320 8.789 1.531 1 1 713 . 9 1 1 A 82 82 GLU HA H 82 4.340 4.162 0.178 1 1 716 . 9 1 1 A 82 82 GLU C C 82 178.700 177.242 1.458 1 1 717 . 9 1 1 A 82 82 GLU CA C 82 58.200 56.452 1.748 1 1 718 . 9 1 1 A 82 82 GLU CB C 82 28.600 29.965 -1.365 1 1 719 . 9 1 1 A 82 82 GLU N N 82 123.900 124.957 -1.057 1 1 720 . 9 1 1 A 83 83 GLY H H 83 7.780 8.767 -0.987 1 1 721 . 9 1 1 A 83 83 GLY HA2 H 83 4.150 3.946 0.204 1 1 722 . 9 1 1 A 83 83 GLY HA3 H 83 4.290 3.975 0.315 1 1 723 . 9 1 1 A 83 83 GLY C C 83 174.400 173.409 0.991 1 1 724 . 9 1 1 A 83 83 GLY CA C 83 46.600 45.673 0.927 1 1 725 . 9 1 1 A 83 83 GLY N N 83 109.200 110.094 -0.894 1 1 726 . 9 1 1 A 84 84 ARG H H 84 7.200 7.745 -0.545 1 1 727 . 9 1 1 A 84 84 ARG HA H 84 5.210 5.253 -0.043 1 1 731 . 9 1 1 A 84 84 ARG C C 84 174.000 174.282 -0.282 1 1 732 . 9 1 1 A 84 84 ARG CA C 84 55.000 54.421 0.579 1 1 733 . 9 1 1 A 84 84 ARG CB C 84 32.500 33.242 -0.742 1 1 734 . 9 1 1 A 84 84 ARG N N 84 121.000 116.262 4.738 1 1 735 . 9 1 1 A 85 85 ASN H H 85 9.270 9.326 -0.056 1 1 736 . 9 1 1 A 85 85 ASN HA H 85 5.000 5.386 -0.386 1 1 739 . 9 1 1 A 85 85 ASN C C 85 172.900 174.566 -1.666 1 1 740 . 9 1 1 A 85 85 ASN CA C 85 53.800 52.075 1.725 1 1 741 . 9 1 1 A 85 85 ASN CB C 85 43.600 40.033 3.567 1 1 742 . 9 1 1 A 85 85 ASN N N 85 121.600 121.653 -0.053 1 1 743 . 9 1 1 A 86 86 ASN H H 86 9.150 8.827 0.323 1 1 744 . 9 1 1 A 86 86 ASN HA H 86 5.000 5.563 -0.563 1 1 746 . 9 1 1 A 86 86 ASN C C 86 174.400 175.704 -1.304 1 1 747 . 9 1 1 A 86 86 ASN CA C 86 52.400 52.974 -0.574 1 1 748 . 9 1 1 A 86 86 ASN CB C 86 38.600 39.267 -0.667 1 1 749 . 9 1 1 A 86 86 ASN N N 86 123.200 123.458 -0.258 1 1 750 . 9 1 1 A 87 87 PHE H H 87 8.380 9.594 -1.214 1 1 751 . 9 1 1 A 87 87 PHE HA H 87 3.460 3.657 -0.197 1 1 754 . 9 1 1 A 87 87 PHE C C 87 174.600 176.713 -2.113 1 1 755 . 9 1 1 A 87 87 PHE CA C 87 59.000 58.895 0.105 1 1 756 . 9 1 1 A 87 87 PHE CB C 87 39.000 39.041 -0.041 1 1 757 . 9 1 1 A 87 87 PHE N N 87 124.900 122.447 2.453 1 1 758 . 9 1 1 A 88 88 GLU H H 88 7.450 8.418 -0.968 1 1 759 . 9 1 1 A 88 88 GLU HA H 88 4.270 3.905 0.365 1 1 763 . 9 1 1 A 88 88 GLU C C 88 173.900 177.384 -3.484 1 1 764 . 9 1 1 A 88 88 GLU CA C 88 54.800 59.712 -4.912 1 1 765 . 9 1 1 A 88 88 GLU CB C 88 31.700 29.969 1.731 1 1 766 . 9 1 1 A 88 88 GLU N N 88 128.600 123.876 4.724 1 1 767 . 9 1 1 A 89 89 GLY H H 89 7.050 7.417 -0.367 1 1 768 . 9 1 1 A 89 89 GLY HA2 H 89 3.700 3.991 -0.291 1 1 769 . 9 1 1 A 89 89 GLY HA3 H 89 3.840 3.998 -0.158 1 1 770 . 9 1 1 A 89 89 GLY C C 89 172.600 174.386 -1.786 1 1 771 . 9 1 1 A 89 89 GLY CA C 89 43.400 45.463 -2.063 1 1 772 . 9 1 1 A 89 89 GLY N N 89 108.600 106.609 1.991 1 1 773 . 9 1 1 A 90 90 GLU H H 90 8.450 7.893 0.557 1 1 774 . 9 1 1 A 90 90 GLU HA H 90 4.290 4.379 -0.089 1 1 778 . 9 1 1 A 90 90 GLU C C 90 177.400 176.060 1.340 1 1 779 . 9 1 1 A 90 90 GLU CA C 90 56.200 56.631 -0.431 1 1 780 . 9 1 1 A 90 90 GLU CB C 90 29.900 30.002 -0.102 1 1 781 . 9 1 1 A 90 90 GLU N N 90 120.400 120.356 0.044 1 1 782 . 9 1 1 A 91 91 VAL H H 91 9.140 8.613 0.527 1 1 783 . 9 1 1 A 91 91 VAL HA H 91 3.730 4.685 -0.955 1 1 791 . 9 1 1 A 91 91 VAL C C 91 173.600 175.428 -1.828 1 1 792 . 9 1 1 A 91 91 VAL CA C 91 64.400 61.435 2.965 1 1 793 . 9 1 1 A 91 91 VAL CB C 91 29.800 32.925 -3.125 1 1 794 . 9 1 1 A 91 91 VAL N N 91 126.500 121.444 5.056 1 1 795 . 9 1 1 A 92 92 THR H H 92 7.210 8.870 -1.660 1 1 796 . 9 1 1 A 92 92 THR HA H 92 4.630 4.862 -0.232 1 1 801 . 9 1 1 A 92 92 THR C C 92 174.100 175.091 -0.991 1 1 802 . 9 1 1 A 92 92 THR CA C 92 58.000 61.394 -3.394 1 1 803 . 9 1 1 A 92 92 THR CB C 92 72.400 71.723 0.677 1 1 804 . 9 1 1 A 92 92 THR N N 92 117.900 121.108 -3.208 1 1 805 . 9 1 1 A 93 93 LYS H H 93 9.360 8.949 0.411 1 1 806 . 9 1 1 A 93 93 LYS HA H 93 3.680 4.059 -0.379 1 1 810 . 9 1 1 A 93 93 LYS C C 93 177.100 178.699 -1.599 1 1 811 . 9 1 1 A 93 93 LYS CA C 93 60.700 59.136 1.564 1 1 812 . 9 1 1 A 93 93 LYS CB C 93 32.100 32.039 0.061 1 1 813 . 9 1 1 A 93 93 LYS N N 93 124.100 124.748 -0.648 1 1 814 . 9 1 1 A 94 94 GLU H H 94 9.120 7.994 1.126 1 1 815 . 9 1 1 A 94 94 GLU HA H 94 3.900 4.118 -0.218 1 1 819 . 9 1 1 A 94 94 GLU C C 94 179.100 179.165 -0.065 1 1 820 . 9 1 1 A 94 94 GLU CA C 94 60.700 59.084 1.616 1 1 821 . 9 1 1 A 94 94 GLU CB C 94 28.700 29.543 -0.843 1 1 822 . 9 1 1 A 94 94 GLU N N 94 116.600 119.448 -2.848 1 1 823 . 9 1 1 A 95 95 ASN H H 95 8.020 8.263 -0.243 1 1 824 . 9 1 1 A 95 95 ASN HA H 95 4.650 4.567 0.083 1 1 827 . 9 1 1 A 95 95 ASN C C 95 179.700 178.132 1.568 1 1 828 . 9 1 1 A 95 95 ASN CA C 95 55.300 56.747 -1.447 1 1 829 . 9 1 1 A 95 95 ASN CB C 95 37.500 39.133 -1.633 1 1 830 . 9 1 1 A 95 95 ASN N N 95 118.100 119.294 -1.194 1 1 831 . 9 1 1 A 96 96 LEU H H 96 8.550 8.230 0.320 1 1 832 . 9 1 1 A 96 96 LEU HA H 96 3.960 4.818 -0.858 1 1 842 . 9 1 1 A 96 96 LEU C C 96 178.400 179.256 -0.856 1 1 843 . 9 1 1 A 96 96 LEU CA C 96 57.500 58.403 -0.903 1 1 844 . 9 1 1 A 96 96 LEU CB C 96 42.200 41.514 0.686 1 1 845 . 9 1 1 A 96 96 LEU N N 96 121.600 117.862 3.738 1 1 846 . 9 1 1 A 97 97 LEU H H 97 8.500 8.003 0.497 1 1 847 . 9 1 1 A 97 97 LEU HA H 97 4.010 4.106 -0.096 1 1 853 . 9 1 1 A 97 97 LEU C C 97 179.200 179.092 0.108 1 1 854 . 9 1 1 A 97 97 LEU CA C 97 58.900 58.046 0.854 1 1 855 . 9 1 1 A 97 97 LEU CB C 97 40.900 41.706 -0.806 1 1 856 . 9 1 1 A 97 97 LEU N N 97 120.100 121.080 -0.980 1 1 857 . 9 1 1 A 98 98 ASP H H 98 7.660 8.005 -0.345 1 1 858 . 9 1 1 A 98 98 ASP HA H 98 4.410 4.244 0.166 1 1 861 . 9 1 1 A 98 98 ASP C C 98 177.800 178.417 -0.617 1 1 862 . 9 1 1 A 98 98 ASP CA C 98 57.700 57.201 0.499 1 1 863 . 9 1 1 A 98 98 ASP CB C 98 41.100 41.033 0.067 1 1 864 . 9 1 1 A 98 98 ASP N N 98 118.700 119.251 -0.551 1 1 865 . 9 1 1 A 99 99 PHE H H 99 7.900 8.161 -0.261 1 1 866 . 9 1 1 A 99 99 PHE HA H 99 4.530 4.107 0.423 1 1 869 . 9 1 1 A 99 99 PHE C C 99 177.600 177.224 0.376 1 1 870 . 9 1 1 A 99 99 PHE CA C 99 60.400 61.267 -0.867 1 1 871 . 9 1 1 A 99 99 PHE CB C 99 39.800 38.790 1.010 1 1 872 . 9 1 1 A 99 99 PHE N N 99 120.800 120.403 0.397 1 1 873 . 9 1 1 A 100 100 ILE H H 100 8.780 8.651 0.129 1 1 874 . 9 1 1 A 100 100 ILE HA H 100 3.120 4.145 -1.025 1 1 883 . 9 1 1 A 100 100 ILE C C 100 177.400 178.186 -0.786 1 1 884 . 9 1 1 A 100 100 ILE CA C 100 65.500 64.912 0.588 1 1 885 . 9 1 1 A 100 100 ILE CB C 100 38.500 37.879 0.621 1 1 886 . 9 1 1 A 100 100 ILE N N 100 121.400 118.853 2.547 1 1 887 . 9 1 1 A 101 101 LYS H H 101 8.210 7.921 0.289 1 1 888 . 9 1 1 A 101 101 LYS HA H 101 4.200 4.079 0.121 1 1 893 . 9 1 1 A 101 101 LYS C C 101 179.400 179.350 0.050 1 1 894 . 9 1 1 A 101 101 LYS CA C 101 59.300 59.041 0.259 1 1 895 . 9 1 1 A 101 101 LYS CB C 101 31.800 32.089 -0.289 1 1 896 . 9 1 1 A 101 101 LYS N N 101 117.900 121.898 -3.998 1 1 897 . 9 1 1 A 102 102 HIS H H 102 7.870 8.531 -0.661 1 1 898 . 9 1 1 A 102 102 HIS HA H 102 4.420 4.269 0.151 1 1 900 . 9 1 1 A 102 102 HIS C C 102 175.900 177.207 -1.307 1 1 901 . 9 1 1 A 102 102 HIS CA C 102 58.400 59.981 -1.581 1 1 902 . 9 1 1 A 102 102 HIS CB C 102 30.100 30.282 -0.182 1 1 903 . 9 1 1 A 102 102 HIS N N 102 113.900 117.471 -3.571 1 1 904 . 9 1 1 A 103 103 ASN H H 103 7.270 8.486 -1.216 1 1 905 . 9 1 1 A 103 103 ASN HA H 103 4.840 4.380 0.460 1 1 908 . 9 1 1 A 103 103 ASN C C 103 174.500 177.276 -2.776 1 1 909 . 9 1 1 A 103 103 ASN CA C 103 54.400 55.035 -0.635 1 1 910 . 9 1 1 A 103 103 ASN CB C 103 41.100 38.400 2.700 1 1 911 . 9 1 1 A 103 103 ASN N N 103 113.900 117.263 -3.363 1 1 912 . 9 1 1 A 104 104 GLN H H 104 7.650 8.248 -0.598 1 1 913 . 9 1 1 A 104 104 GLN HA H 104 4.250 4.163 0.087 1 1 917 . 9 1 1 A 104 104 GLN C C 104 173.800 176.157 -2.357 1 1 918 . 9 1 1 A 104 104 GLN CA C 104 57.400 57.558 -0.158 1 1 919 . 9 1 1 A 104 104 GLN CB C 104 28.900 28.536 0.364 1 1 920 . 9 1 1 A 104 104 GLN N N 104 115.000 118.497 -3.497 1 1 921 . 9 1 1 A 105 105 LEU H H 105 7.500 7.512 -0.012 1 1 922 . 9 1 1 A 105 105 LEU HA H 105 4.720 4.841 -0.121 1 1 927 . 9 1 1 A 105 105 LEU CA C 105 51.800 52.427 -0.627 1 1 928 . 9 1 1 A 105 105 LEU CB C 105 42.100 43.833 -1.733 1 1 929 . 9 1 1 A 105 105 LEU N N 105 119.700 120.169 -0.469 1 1 930 . 9 1 1 A 106 106 PRO HA H 106 4.380 5.087 -0.707 1 1 931 . 9 1 1 A 106 106 PRO C C 106 175.600 177.399 -1.799 1 1 932 . 9 1 1 A 106 106 PRO CA C 106 61.700 62.474 -0.774 1 1 933 . 9 1 1 A 106 106 PRO CB C 106 31.800 32.986 -1.186 1 1 934 . 9 1 1 A 107 107 LEU H H 107 9.440 8.611 0.829 1 1 935 . 9 1 1 A 107 107 LEU HA H 107 3.980 4.059 -0.079 1 1 941 . 9 1 1 A 107 107 LEU C C 107 177.100 176.960 0.140 1 1 942 . 9 1 1 A 107 107 LEU CA C 107 57.800 57.976 -0.176 1 1 943 . 9 1 1 A 107 107 LEU CB C 107 42.700 42.484 0.216 1 1 944 . 9 1 1 A 107 107 LEU N N 107 123.400 120.094 3.306 1 1 945 . 9 1 1 A 108 108 VAL H H 108 7.730 7.669 0.061 1 1 946 . 9 1 1 A 108 108 VAL HA H 108 5.010 5.510 -0.500 1 1 951 . 9 1 1 A 108 108 VAL C C 108 174.800 174.618 0.182 1 1 952 . 9 1 1 A 108 108 VAL CA C 108 59.400 59.378 0.022 1 1 953 . 9 1 1 A 108 108 VAL CB C 108 34.400 35.752 -1.352 1 1 954 . 9 1 1 A 108 108 VAL N N 108 109.700 111.746 -2.046 1 1 955 . 9 1 1 A 109 109 ILE H H 109 8.700 8.922 -0.222 1 1 956 . 9 1 1 A 109 109 ILE HA H 109 4.210 5.004 -0.794 1 1 965 . 9 1 1 A 109 109 ILE C C 109 173.500 173.824 -0.324 1 1 966 . 9 1 1 A 109 109 ILE CA C 109 59.900 59.156 0.744 1 1 967 . 9 1 1 A 109 109 ILE CB C 109 41.600 42.333 -0.733 1 1 968 . 9 1 1 A 109 109 ILE N N 109 124.500 123.763 0.737 1 1 969 . 9 1 1 A 110 110 GLU H H 110 8.410 8.197 0.213 1 1 970 . 9 1 1 A 110 110 GLU HA H 110 3.430 3.688 -0.258 1 1 973 . 9 1 1 A 110 110 GLU C C 110 176.000 175.774 0.226 1 1 974 . 9 1 1 A 110 110 GLU CA C 110 54.700 55.930 -1.230 1 1 975 . 9 1 1 A 110 110 GLU CB C 110 29.800 29.621 0.179 1 1 976 . 9 1 1 A 110 110 GLU N N 110 128.200 125.329 2.871 1 1 977 . 9 1 1 A 111 111 PHE H H 111 8.680 9.045 -0.365 1 1 978 . 9 1 1 A 111 111 PHE HA H 111 3.850 4.579 -0.729 1 1 981 . 9 1 1 A 111 111 PHE C C 111 173.600 175.174 -1.574 1 1 982 . 9 1 1 A 111 111 PHE CA C 111 59.500 59.371 0.129 1 1 983 . 9 1 1 A 111 111 PHE CB C 111 40.200 39.491 0.709 1 1 984 . 9 1 1 A 111 111 PHE N N 111 128.800 123.953 4.847 1 1 985 . 9 1 1 A 112 112 THR H H 112 7.310 7.933 -0.623 1 1 986 . 9 1 1 A 112 112 THR HA H 112 4.500 4.593 -0.093 1 1 991 . 9 1 1 A 112 112 THR C C 112 173.700 174.523 -0.823 1 1 992 . 9 1 1 A 112 112 THR CA C 112 59.200 60.315 -1.115 1 1 993 . 9 1 1 A 112 112 THR CB C 112 73.500 70.821 2.679 1 1 994 . 9 1 1 A 112 112 THR N N 112 119.800 115.919 3.881 1 1 995 . 9 1 1 A 113 113 GLU H H 113 8.930 8.963 -0.033 1 1 996 . 9 1 1 A 113 113 GLU HA H 113 3.890 3.860 0.030 1 1 1000 . 9 1 1 A 113 113 GLU C C 113 178.100 178.310 -0.210 1 1 1001 . 9 1 1 A 113 113 GLU CA C 113 59.100 59.743 -0.643 1 1 1002 . 9 1 1 A 113 113 GLU CB C 113 29.200 29.214 -0.014 1 1 1003 . 9 1 1 A 113 113 GLU N N 113 120.100 120.991 -0.891 1 1 1004 . 9 1 1 A 114 114 GLN H H 114 7.940 7.694 0.246 1 1 1005 . 9 1 1 A 114 114 GLN HA H 114 4.130 4.085 0.045 1 1 1008 . 9 1 1 A 114 114 GLN C C 114 177.800 178.715 -0.915 1 1 1009 . 9 1 1 A 114 114 GLN CA C 114 58.200 58.311 -0.111 1 1 1010 . 9 1 1 A 114 114 GLN CB C 114 28.600 28.409 0.191 1 1 1011 . 9 1 1 A 114 114 GLN N N 114 114.800 119.076 -4.276 1 1 1012 . 9 1 1 A 115 115 THR H H 115 7.500 7.636 -0.136 1 1 1013 . 9 1 1 A 115 115 THR HA H 115 4.180 3.805 0.375 1 1 1018 . 9 1 1 A 115 115 THR C C 115 175.800 176.238 -0.438 1 1 1019 . 9 1 1 A 115 115 THR CA C 115 61.900 66.448 -4.548 1 1 1020 . 9 1 1 A 115 115 THR CB C 115 69.400 68.501 0.899 1 1 1021 . 9 1 1 A 115 115 THR N N 115 109.000 117.850 -8.850 1 1 1022 . 9 1 1 A 116 116 ALA H H 116 7.770 7.842 -0.072 1 1 1023 . 9 1 1 A 116 116 ALA HA H 116 3.840 3.789 0.051 1 1 1027 . 9 1 1 A 116 116 ALA CA C 116 56.800 56.855 -0.055 1 1 1028 . 9 1 1 A 116 116 ALA CB C 116 16.100 16.611 -0.511 1 1 1029 . 9 1 1 A 116 116 ALA N N 116 125.500 122.868 2.632 1 1 1030 . 9 1 1 A 117 117 PRO HA H 117 4.370 3.887 0.483 1 1 1031 . 9 1 1 A 117 117 PRO C C 117 179.500 178.937 0.563 1 1 1032 . 9 1 1 A 117 117 PRO CA C 117 65.800 65.609 0.191 1 1 1033 . 9 1 1 A 117 117 PRO CB C 117 30.800 30.523 0.277 1 1 1034 . 9 1 1 A 118 118 LYS H H 118 7.260 8.010 -0.750 1 1 1035 . 9 1 1 A 118 118 LYS HA H 118 4.140 4.089 0.051 1 1 1039 . 9 1 1 A 118 118 LYS C C 118 178.300 179.675 -1.375 1 1 1040 . 9 1 1 A 118 118 LYS CA C 118 57.500 58.888 -1.388 1 1 1041 . 9 1 1 A 118 118 LYS CB C 118 32.200 31.687 0.513 1 1 1042 . 9 1 1 A 118 118 LYS N N 118 115.800 117.628 -1.828 1 1 1043 . 9 1 1 A 119 119 ILE H H 119 7.690 7.672 0.018 1 1 1044 . 9 1 1 A 119 119 ILE HA H 119 3.440 4.005 -0.565 1 1 1053 . 9 1 1 A 119 119 ILE C C 119 177.500 178.494 -0.994 1 1 1054 . 9 1 1 A 119 119 ILE CA C 119 64.400 64.429 -0.029 1 1 1055 . 9 1 1 A 119 119 ILE CB C 119 38.700 37.742 0.958 1 1 1056 . 9 1 1 A 119 119 ILE N N 119 119.300 120.883 -1.583 1 1 1057 . 9 1 1 A 120 120 PHE H H 120 8.040 8.273 -0.233 1 1 1058 . 9 1 1 A 120 120 PHE HA H 120 4.310 4.292 0.018 1 1 1061 . 9 1 1 A 120 120 PHE C C 120 176.800 178.114 -1.314 1 1 1062 . 9 1 1 A 120 120 PHE CA C 120 58.900 59.924 -1.024 1 1 1063 . 9 1 1 A 120 120 PHE CB C 120 38.400 37.960 0.440 1 1 1064 . 9 1 1 A 120 120 PHE N N 120 115.800 119.600 -3.800 1 1 1065 . 9 1 1 A 121 121 GLY H H 121 7.660 7.713 -0.053 1 1 1066 . 9 1 1 A 121 121 GLY HA2 H 121 3.830 4.169 -0.339 1 1 1067 . 9 1 1 A 121 121 GLY HA3 H 121 4.350 4.173 0.177 1 1 1068 . 9 1 1 A 121 121 GLY C C 121 174.700 175.235 -0.535 1 1 1069 . 9 1 1 A 121 121 GLY CA C 121 45.300 44.710 0.590 1 1 1070 . 9 1 1 A 121 121 GLY N N 121 106.800 108.833 -2.033 1 1 1071 . 9 1 1 A 122 122 GLY H H 122 7.620 8.657 -1.037 1 1 1072 . 9 1 1 A 122 122 GLY HA2 H 122 4.000 4.141 -0.141 1 1 1073 . 9 1 1 A 122 122 GLY HA3 H 122 4.320 4.189 0.131 1 1 1074 . 9 1 1 A 122 122 GLY C C 122 173.800 174.644 -0.844 1 1 1075 . 9 1 1 A 122 122 GLY CA C 122 44.800 45.728 -0.928 1 1 1076 . 9 1 1 A 122 122 GLY N N 122 108.400 108.753 -0.353 1 1 1077 . 9 1 1 A 123 123 GLU H H 123 8.490 8.977 -0.487 1 1 1078 . 9 1 1 A 123 123 GLU HA H 123 4.160 4.074 0.086 1 1 1082 . 9 1 1 A 123 123 GLU C C 123 177.700 175.723 1.977 1 1 1083 . 9 1 1 A 123 123 GLU CA C 123 57.900 57.124 0.776 1 1 1084 . 9 1 1 A 123 123 GLU CB C 123 30.400 28.489 1.911 1 1 1085 . 9 1 1 A 123 123 GLU N N 123 117.700 119.002 -1.302 1 1 1086 . 9 1 1 A 124 124 ILE H H 124 7.890 8.620 -0.730 1 1 1087 . 9 1 1 A 124 124 ILE HA H 124 4.090 3.902 0.188 1 1 1096 . 9 1 1 A 124 124 ILE C C 124 176.700 174.997 1.703 1 1 1097 . 9 1 1 A 124 124 ILE CA C 124 62.000 62.033 -0.033 1 1 1098 . 9 1 1 A 124 124 ILE CB C 124 37.500 35.561 1.939 1 1 1099 . 9 1 1 A 124 124 ILE N N 124 119.900 120.234 -0.334 1 1 1100 . 9 1 1 A 125 125 LYS H H 125 8.600 7.782 0.818 1 1 1101 . 9 1 1 A 125 125 LYS HA H 125 4.590 4.732 -0.142 1 1 1104 . 9 1 1 A 125 125 LYS C C 125 174.400 174.471 -0.071 1 1 1105 . 9 1 1 A 125 125 LYS CA C 125 55.600 54.942 0.658 1 1 1106 . 9 1 1 A 125 125 LYS CB C 125 33.000 36.276 -3.276 1 1 1107 . 9 1 1 A 125 125 LYS N N 125 125.500 124.955 0.545 1 1 1108 . 9 1 1 A 126 126 THR H H 126 6.860 8.686 -1.826 1 1 1109 . 9 1 1 A 126 126 THR HA H 126 4.940 5.217 -0.277 1 1 1114 . 9 1 1 A 126 126 THR C C 126 172.000 173.845 -1.845 1 1 1115 . 9 1 1 A 126 126 THR CA C 126 62.100 60.622 1.478 1 1 1116 . 9 1 1 A 126 126 THR CB C 126 69.700 70.358 -0.658 1 1 1117 . 9 1 1 A 126 126 THR N N 126 116.200 112.755 3.445 1 1 1118 . 9 1 1 A 127 127 HIS H H 127 8.870 8.504 0.366 1 1 1119 . 9 1 1 A 127 127 HIS HA H 127 5.470 5.492 -0.022 1 1 1121 . 9 1 1 A 127 127 HIS C C 127 173.600 172.457 1.143 1 1 1122 . 9 1 1 A 127 127 HIS CA C 127 53.700 53.518 0.182 1 1 1123 . 9 1 1 A 127 127 HIS CB C 127 35.300 33.389 1.911 1 1 1124 . 9 1 1 A 127 127 HIS N N 127 125.900 119.231 6.669 1 1 1125 . 9 1 1 A 128 128 ILE H H 128 9.200 9.104 0.096 1 1 1126 . 9 1 1 A 128 128 ILE HA H 128 4.890 4.930 -0.040 1 1 1134 . 9 1 1 A 128 128 ILE C C 128 171.100 173.797 -2.697 1 1 1135 . 9 1 1 A 128 128 ILE CA C 128 58.900 59.136 -0.236 1 1 1136 . 9 1 1 A 128 128 ILE CB C 128 40.200 41.185 -0.985 1 1 1137 . 9 1 1 A 128 128 ILE N N 128 122.600 116.902 5.698 1 1 1138 . 9 1 1 A 129 129 LEU H H 129 9.070 9.250 -0.180 1 1 1139 . 9 1 1 A 129 129 LEU HA H 129 5.040 5.113 -0.073 1 1 1148 . 9 1 1 A 129 129 LEU C C 129 174.300 174.373 -0.073 1 1 1149 . 9 1 1 A 129 129 LEU CA C 129 53.400 53.199 0.201 1 1 1150 . 9 1 1 A 129 129 LEU CB C 129 43.600 44.819 -1.219 1 1 1151 . 9 1 1 A 129 129 LEU N N 129 128.800 126.991 1.809 1 1 1152 . 9 1 1 A 130 130 LEU H H 130 8.680 8.977 -0.297 1 1 1153 . 9 1 1 A 130 130 LEU HA H 130 4.640 4.893 -0.253 1 1 1162 . 9 1 1 A 130 130 LEU C C 130 174.400 174.360 0.040 1 1 1163 . 9 1 1 A 130 130 LEU CA C 130 52.700 52.262 0.438 1 1 1164 . 9 1 1 A 130 130 LEU CB C 130 41.600 45.765 -4.165 1 1 1165 . 9 1 1 A 130 130 LEU N N 130 123.200 127.845 -4.645 1 1 1166 . 9 1 1 A 131 131 PHE H H 131 9.100 8.461 0.639 1 1 1167 . 9 1 1 A 131 131 PHE HA H 131 4.630 5.089 -0.459 1 1 1170 . 9 1 1 A 131 131 PHE C C 131 173.600 175.498 -1.898 1 1 1171 . 9 1 1 A 131 131 PHE CA C 131 56.800 57.194 -0.394 1 1 1172 . 9 1 1 A 131 131 PHE CB C 131 39.200 40.026 -0.826 1 1 1173 . 9 1 1 A 131 131 PHE N N 131 127.500 125.780 1.720 1 1 1174 . 9 1 1 A 132 132 LEU H H 132 9.000 8.930 0.070 1 1 1175 . 9 1 1 A 132 132 LEU HA H 132 5.020 5.067 -0.047 1 1 1183 . 9 1 1 A 132 132 LEU CA C 132 50.700 50.841 -0.141 1 1 1184 . 9 1 1 A 132 132 LEU CB C 132 44.400 44.662 -0.262 1 1 1185 . 9 1 1 A 132 132 LEU N N 132 127.100 120.502 6.598 1 1 1186 . 9 1 1 A 133 133 PRO HA H 133 4.770 4.433 0.337 1 1 1187 . 9 1 1 A 133 133 PRO C C 133 179.100 177.866 1.234 1 1 1188 . 9 1 1 A 133 133 PRO CA C 133 62.300 65.689 -3.389 1 1 1189 . 9 1 1 A 133 133 PRO CB C 133 31.600 31.864 -0.264 1 1 1190 . 9 1 1 A 134 134 LYS H H 134 8.300 7.820 0.480 1 1 1191 . 9 1 1 A 134 134 LYS HA H 134 4.070 4.586 -0.516 1 1 1195 . 9 1 1 A 134 134 LYS C C 134 176.700 176.344 0.356 1 1 1196 . 9 1 1 A 134 134 LYS CA C 134 58.900 56.533 2.367 1 1 1197 . 9 1 1 A 134 134 LYS CB C 134 32.000 34.098 -2.098 1 1 1198 . 9 1 1 A 134 134 LYS N N 134 123.900 116.304 7.596 1 1 1199 . 9 1 1 A 135 135 SER H H 135 7.610 8.407 -0.797 1 1 1200 . 9 1 1 A 135 135 SER HA H 135 4.250 4.071 0.179 1 1 1202 . 9 1 1 A 135 135 SER C C 135 175.200 173.446 1.754 1 1 1203 . 9 1 1 A 135 135 SER CA C 135 58.200 59.346 -1.146 1 1 1204 . 9 1 1 A 135 135 SER CB C 135 63.300 61.094 2.206 1 1 1205 . 9 1 1 A 135 135 SER N N 135 108.200 113.118 -4.918 1 1 1206 . 9 1 1 A 136 136 VAL H H 136 7.500 7.693 -0.193 1 1 1207 . 9 1 1 A 136 136 VAL HA H 136 4.210 4.138 0.072 1 1 1215 . 9 1 1 A 136 136 VAL C C 136 175.100 176.197 -1.097 1 1 1216 . 9 1 1 A 136 136 VAL CA C 136 61.900 62.085 -0.185 1 1 1217 . 9 1 1 A 136 136 VAL CB C 136 32.600 32.137 0.463 1 1 1218 . 9 1 1 A 136 136 VAL N N 136 122.800 117.936 4.864 1 1 1219 . 9 1 1 A 137 137 SER H H 137 8.450 9.029 -0.579 1 1 1220 . 9 1 1 A 137 137 SER HA H 137 4.300 4.800 -0.500 1 1 1222 . 9 1 1 A 137 137 SER C C 137 175.200 174.450 0.750 1 1 1223 . 9 1 1 A 137 137 SER CA C 137 59.700 60.846 -1.146 1 1 1224 . 9 1 1 A 137 137 SER CB C 137 63.000 61.526 1.474 1 1 1225 . 9 1 1 A 137 137 SER N N 137 120.800 115.118 5.682 1 1 1226 . 9 1 1 A 138 138 ASP H H 138 8.980 7.725 1.255 1 1 1227 . 9 1 1 A 138 138 ASP HA H 138 4.630 4.637 -0.007 1 1 1230 . 9 1 1 A 138 138 ASP C C 138 174.800 176.375 -1.575 1 1 1231 . 9 1 1 A 138 138 ASP CA C 138 54.000 54.225 -0.225 1 1 1232 . 9 1 1 A 138 138 ASP CB C 138 39.300 41.044 -1.744 1 1 1233 . 9 1 1 A 138 138 ASP N N 138 122.400 121.283 1.117 1 1 1234 . 9 1 1 A 139 139 TYR H H 139 7.620 8.256 -0.636 1 1 1235 . 9 1 1 A 139 139 TYR HA H 139 3.530 4.158 -0.628 1 1 1238 . 9 1 1 A 139 139 TYR C C 139 176.400 177.780 -1.380 1 1 1239 . 9 1 1 A 139 139 TYR CA C 139 62.800 61.065 1.735 1 1 1240 . 9 1 1 A 139 139 TYR CB C 139 39.100 37.280 1.820 1 1 1241 . 9 1 1 A 139 139 TYR N N 139 120.500 119.262 1.238 1 1 1242 . 9 1 1 A 140 140 ASP H H 140 8.690 7.410 1.280 1 1 1243 . 9 1 1 A 140 140 ASP HA H 140 4.210 4.266 -0.056 1 1 1245 . 9 1 1 A 140 140 ASP C C 140 179.300 179.056 0.244 1 1 1246 . 9 1 1 A 140 140 ASP CA C 140 57.200 56.900 0.300 1 1 1247 . 9 1 1 A 140 140 ASP CB C 140 40.400 40.433 -0.033 1 1 1248 . 9 1 1 A 140 140 ASP N N 140 115.200 122.080 -6.880 1 1 1249 . 9 1 1 A 141 141 GLY H H 141 7.800 8.066 -0.266 1 1 1250 . 9 1 1 A 141 141 GLY HA2 H 141 3.800 3.689 0.111 1 1 1251 . 9 1 1 A 141 141 GLY HA3 H 141 4.070 3.702 0.368 1 1 1252 . 9 1 1 A 141 141 GLY C C 141 176.800 176.054 0.746 1 1 1253 . 9 1 1 A 141 141 GLY CA C 141 47.000 47.373 -0.373 1 1 1254 . 9 1 1 A 141 141 GLY N N 141 110.300 107.507 2.793 1 1 1255 . 9 1 1 A 142 142 LYS H H 142 8.010 8.662 -0.652 1 1 1256 . 9 1 1 A 142 142 LYS HA H 142 4.030 4.079 -0.049 1 1 1259 . 9 1 1 A 142 142 LYS C C 142 179.000 178.995 0.005 1 1 1260 . 9 1 1 A 142 142 LYS CA C 142 59.700 59.258 0.442 1 1 1261 . 9 1 1 A 142 142 LYS CB C 142 33.000 32.295 0.705 1 1 1262 . 9 1 1 A 142 142 LYS N N 142 123.200 122.150 1.050 1 1 1263 . 9 1 1 A 143 143 LEU H H 143 8.090 8.430 -0.340 1 1 1264 . 9 1 1 A 143 143 LEU HA H 143 3.760 4.053 -0.293 1 1 1273 . 9 1 1 A 143 143 LEU C C 143 179.000 178.684 0.316 1 1 1274 . 9 1 1 A 143 143 LEU CA C 143 57.500 58.197 -0.697 1 1 1275 . 9 1 1 A 143 143 LEU CB C 143 40.600 41.470 -0.870 1 1 1276 . 9 1 1 A 143 143 LEU N N 143 120.000 122.324 -2.324 1 1 1277 . 9 1 1 A 144 144 SER H H 144 8.350 8.019 0.331 1 1 1278 . 9 1 1 A 144 144 SER HA H 144 4.120 4.026 0.094 1 1 1280 . 9 1 1 A 144 144 SER C C 144 177.300 177.180 0.120 1 1 1281 . 9 1 1 A 144 144 SER CA C 144 61.900 61.669 0.231 1 1 1282 . 9 1 1 A 144 144 SER CB C 144 62.300 62.809 -0.509 1 1 1283 . 9 1 1 A 144 144 SER N N 144 114.600 115.246 -0.646 1 1 1284 . 9 1 1 A 145 145 ASN H H 145 7.980 8.023 -0.043 1 1 1285 . 9 1 1 A 145 145 ASN HA H 145 4.460 4.423 0.037 1 1 1288 . 9 1 1 A 145 145 ASN C C 145 176.300 178.307 -2.007 1 1 1289 . 9 1 1 A 145 145 ASN CA C 145 56.600 56.353 0.247 1 1 1290 . 9 1 1 A 145 145 ASN CB C 145 38.600 38.303 0.297 1 1 1291 . 9 1 1 A 145 145 ASN N N 145 121.600 120.118 1.482 1 1 1292 . 9 1 1 A 146 146 PHE H H 146 7.710 8.571 -0.861 1 1 1293 . 9 1 1 A 146 146 PHE HA H 146 4.370 4.095 0.275 1 1 1296 . 9 1 1 A 146 146 PHE C C 146 176.200 178.180 -1.980 1 1 1297 . 9 1 1 A 146 146 PHE CA C 146 61.500 61.265 0.235 1 1 1298 . 9 1 1 A 146 146 PHE CB C 146 40.500 38.911 1.589 1 1 1299 . 9 1 1 A 146 146 PHE N N 146 121.800 118.280 3.520 1 1 1300 . 9 1 1 A 147 147 LYS H H 147 8.510 8.446 0.064 1 1 1301 . 9 1 1 A 147 147 LYS HA H 147 3.620 3.872 -0.252 1 1 1305 . 9 1 1 A 147 147 LYS C C 147 178.200 179.405 -1.205 1 1 1306 . 9 1 1 A 147 147 LYS CA C 147 59.600 59.617 -0.017 1 1 1307 . 9 1 1 A 147 147 LYS CB C 147 32.400 32.327 0.073 1 1 1308 . 9 1 1 A 147 147 LYS N N 147 117.700 117.944 -0.244 1 1 1309 . 9 1 1 A 148 148 THR H H 148 8.280 7.884 0.396 1 1 1310 . 9 1 1 A 148 148 THR HA H 148 3.870 3.948 -0.078 1 1 1315 . 9 1 1 A 148 148 THR C C 148 177.200 176.809 0.391 1 1 1316 . 9 1 1 A 148 148 THR CA C 148 66.600 66.273 0.327 1 1 1317 . 9 1 1 A 148 148 THR CB C 148 68.200 68.519 -0.319 1 1 1318 . 9 1 1 A 148 148 THR N N 148 116.200 117.380 -1.180 1 1 1319 . 9 1 1 A 149 149 ALA H H 149 7.570 7.940 -0.370 1 1 1320 . 9 1 1 A 149 149 ALA HA H 149 4.030 3.973 0.057 1 1 1324 . 9 1 1 A 149 149 ALA C C 149 177.700 179.509 -1.809 1 1 1325 . 9 1 1 A 149 149 ALA CA C 149 54.900 55.071 -0.171 1 1 1326 . 9 1 1 A 149 149 ALA CB C 149 18.700 18.192 0.508 1 1 1327 . 9 1 1 A 149 149 ALA N N 149 124.000 123.307 0.693 1 1 1328 . 9 1 1 A 150 150 ALA H H 150 7.360 8.565 -1.205 1 1 1329 . 9 1 1 A 150 150 ALA HA H 150 1.860 3.992 -2.132 1 1 1333 . 9 1 1 A 150 150 ALA C C 150 180.600 179.343 1.257 1 1 1334 . 9 1 1 A 150 150 ALA CA C 150 53.900 55.255 -1.355 1 1 1335 . 9 1 1 A 150 150 ALA CB C 150 19.500 18.231 1.269 1 1 1336 . 9 1 1 A 150 150 ALA N N 150 119.700 120.611 -0.911 1 1 1337 . 9 1 1 A 151 151 GLU H H 151 7.050 8.615 -1.565 1 1 1338 . 9 1 1 A 151 151 GLU HA H 151 3.680 4.109 -0.429 1 1 1342 . 9 1 1 A 151 151 GLU C C 151 178.500 178.740 -0.240 1 1 1343 . 9 1 1 A 151 151 GLU CA C 151 59.000 59.288 -0.288 1 1 1344 . 9 1 1 A 151 151 GLU CB C 151 30.000 29.156 0.844 1 1 1345 . 9 1 1 A 151 151 GLU N N 151 114.200 116.918 -2.718 1 1 1346 . 9 1 1 A 152 152 SER H H 152 7.510 7.838 -0.328 1 1 1347 . 9 1 1 A 152 152 SER HA H 152 4.160 4.187 -0.027 1 1 1350 . 9 1 1 A 152 152 SER C C 152 173.400 176.097 -2.697 1 1 1351 . 9 1 1 A 152 152 SER CA C 152 60.600 61.316 -0.716 1 1 1352 . 9 1 1 A 152 152 SER CB C 152 63.500 63.120 0.380 1 1 1353 . 9 1 1 A 152 152 SER N N 152 111.900 115.495 -3.595 1 1 1354 . 9 1 1 A 153 153 PHE H H 153 7.240 7.894 -0.654 1 1 1355 . 9 1 1 A 153 153 PHE HA H 153 4.750 4.820 -0.070 1 1 1358 . 9 1 1 A 153 153 PHE C C 153 174.600 175.099 -0.499 1 1 1359 . 9 1 1 A 153 153 PHE CA C 153 57.200 56.657 0.543 1 1 1360 . 9 1 1 A 153 153 PHE CB C 153 41.300 38.993 2.307 1 1 1361 . 9 1 1 A 153 153 PHE N N 153 115.800 116.466 -0.666 1 1 1362 . 9 1 1 A 154 154 LYS H H 154 7.320 7.324 -0.004 1 1 1363 . 9 1 1 A 154 154 LYS HA H 154 4.380 4.292 0.088 1 1 1368 . 9 1 1 A 154 154 LYS C C 154 178.200 176.985 1.215 1 1 1369 . 9 1 1 A 154 154 LYS CA C 154 58.500 56.511 1.989 1 1 1370 . 9 1 1 A 154 154 LYS CB C 154 31.900 32.349 -0.449 1 1 1371 . 9 1 1 A 154 154 LYS N N 154 124.000 118.209 5.791 1 1 1372 . 9 1 1 A 155 155 GLY H H 155 9.720 8.919 0.801 1 1 1373 . 9 1 1 A 155 155 GLY HA2 H 155 3.620 3.912 -0.292 1 1 1374 . 9 1 1 A 155 155 GLY HA3 H 155 4.290 3.941 0.349 1 1 1375 . 9 1 1 A 155 155 GLY C C 155 173.200 173.640 -0.440 1 1 1376 . 9 1 1 A 155 155 GLY CA C 155 45.500 45.629 -0.129 1 1 1377 . 9 1 1 A 155 155 GLY N N 155 115.400 112.268 3.132 1 1 1378 . 9 1 1 A 156 156 LYS H H 156 8.400 7.667 0.733 1 1 1379 . 9 1 1 A 156 156 LYS HA H 156 4.630 4.363 0.267 1 1 1383 . 9 1 1 A 156 156 LYS C C 156 175.000 175.692 -0.692 1 1 1384 . 9 1 1 A 156 156 LYS CA C 156 57.100 56.734 0.366 1 1 1385 . 9 1 1 A 156 156 LYS CB C 156 35.800 35.501 0.299 1 1 1386 . 9 1 1 A 156 156 LYS N N 156 118.700 117.386 1.314 1 1 1387 . 9 1 1 A 157 157 ILE H H 157 7.890 7.187 0.703 1 1 1388 . 9 1 1 A 157 157 ILE HA H 157 4.330 4.590 -0.260 1 1 1396 . 9 1 1 A 157 157 ILE C C 157 175.000 172.440 2.560 1 1 1397 . 9 1 1 A 157 157 ILE CA C 157 60.400 59.485 0.915 1 1 1398 . 9 1 1 A 157 157 ILE CB C 157 43.600 41.829 1.771 1 1 1399 . 9 1 1 A 157 157 ILE N N 157 116.600 117.878 -1.278 1 1 1400 . 9 1 1 A 158 158 LEU H H 158 8.300 8.524 -0.224 1 1 1401 . 9 1 1 A 158 158 LEU HA H 158 4.840 4.768 0.072 1 1 1410 . 9 1 1 A 158 158 LEU C C 158 175.000 174.742 0.258 1 1 1411 . 9 1 1 A 158 158 LEU CA C 158 54.500 52.652 1.848 1 1 1412 . 9 1 1 A 158 158 LEU CB C 158 43.300 44.233 -0.933 1 1 1413 . 9 1 1 A 158 158 LEU N N 158 129.800 128.869 0.931 1 1 1414 . 9 1 1 A 159 159 PHE H H 159 9.310 8.760 0.550 1 1 1415 . 9 1 1 A 159 159 PHE HA H 159 4.890 5.108 -0.218 1 1 1418 . 9 1 1 A 159 159 PHE C C 159 178.500 175.423 3.077 1 1 1419 . 9 1 1 A 159 159 PHE CA C 159 56.600 57.363 -0.763 1 1 1420 . 9 1 1 A 159 159 PHE CB C 159 39.100 40.403 -1.303 1 1 1421 . 9 1 1 A 159 159 PHE N N 159 130.000 127.337 2.663 1 1 1422 . 9 1 1 A 160 160 ILE H H 160 9.130 9.894 -0.764 1 1 1423 . 9 1 1 A 160 160 ILE HA H 160 5.470 5.172 0.298 1 1 1431 . 9 1 1 A 160 160 ILE C C 160 174.500 175.973 -1.473 1 1 1432 . 9 1 1 A 160 160 ILE CA C 160 58.700 60.098 -1.398 1 1 1433 . 9 1 1 A 160 160 ILE CB C 160 42.000 40.781 1.219 1 1 1434 . 9 1 1 A 160 160 ILE N N 160 124.100 123.432 0.668 1 1 1435 . 9 1 1 A 161 161 PHE H H 161 8.920 8.257 0.663 1 1 1436 . 9 1 1 A 161 161 PHE HA H 161 5.780 5.878 -0.098 1 1 1439 . 9 1 1 A 161 161 PHE C C 161 172.800 174.195 -1.395 1 1 1440 . 9 1 1 A 161 161 PHE CA C 161 54.500 55.125 -0.625 1 1 1441 . 9 1 1 A 161 161 PHE CB C 161 42.700 42.642 0.058 1 1 1442 . 9 1 1 A 161 161 PHE N N 161 122.600 121.232 1.368 1 1 1443 . 9 1 1 A 162 162 ILE H H 162 8.780 9.409 -0.629 1 1 1444 . 9 1 1 A 162 162 ILE HA H 162 4.310 4.972 -0.662 1 1 1451 . 9 1 1 A 162 162 ILE C C 162 174.000 174.269 -0.269 1 1 1452 . 9 1 1 A 162 162 ILE CA C 162 59.600 59.459 0.141 1 1 1453 . 9 1 1 A 162 162 ILE CB C 162 42.300 40.919 1.381 1 1 1454 . 9 1 1 A 162 162 ILE N N 162 121.400 118.998 2.402 1 1 1455 . 9 1 1 A 163 163 ASP H H 163 8.410 8.658 -0.248 1 1 1456 . 9 1 1 A 163 163 ASP HA H 163 5.370 5.247 0.123 1 1 1459 . 9 1 1 A 163 163 ASP C C 163 178.300 177.160 1.140 1 1 1460 . 9 1 1 A 163 163 ASP CA C 163 52.600 54.487 -1.887 1 1 1461 . 9 1 1 A 163 163 ASP CB C 163 40.500 42.669 -2.169 1 1 1462 . 9 1 1 A 163 163 ASP N N 163 123.800 127.334 -3.534 1 1 1463 . 9 1 1 A 164 164 SER H H 164 7.470 9.050 -1.580 1 1 1464 . 9 1 1 A 164 164 SER HA H 164 3.990 4.172 -0.182 1 1 1467 . 9 1 1 A 164 164 SER C C 164 173.900 174.392 -0.492 1 1 1468 . 9 1 1 A 164 164 SER CA C 164 60.500 62.323 -1.823 1 1 1469 . 9 1 1 A 164 164 SER CB C 164 64.500 62.817 1.683 1 1 1470 . 9 1 1 A 164 164 SER N N 164 124.000 121.921 2.079 1 1 1471 . 9 1 1 A 165 165 ASP H H 165 8.360 8.131 0.229 1 1 1472 . 9 1 1 A 165 165 ASP HA H 165 4.670 4.346 0.324 1 1 1475 . 9 1 1 A 165 165 ASP C C 165 177.400 176.615 0.785 1 1 1476 . 9 1 1 A 165 165 ASP CA C 165 55.600 55.094 0.506 1 1 1477 . 9 1 1 A 165 165 ASP CB C 165 41.300 39.162 2.138 1 1 1478 . 9 1 1 A 165 165 ASP N N 165 119.300 116.937 2.363 1 1 1479 . 9 1 1 A 166 166 HIS H H 166 7.260 8.288 -1.028 1 1 1480 . 9 1 1 A 166 166 HIS HA H 166 4.400 4.354 0.046 1 1 1482 . 9 1 1 A 166 166 HIS CA C 166 58.300 58.255 0.045 1 1 1483 . 9 1 1 A 166 166 HIS CB C 166 31.900 28.383 3.517 1 1 1484 . 9 1 1 A 166 166 HIS N N 166 121.400 116.851 4.549 1 1 1485 . 9 1 1 A 167 167 THR HA H 167 4.050 4.252 -0.202 1 1 1490 . 9 1 1 A 167 167 THR C C 167 176.800 176.315 0.485 1 1 1491 . 9 1 1 A 167 167 THR CA C 167 66.000 62.201 3.799 1 1 1492 . 9 1 1 A 167 167 THR CB C 167 68.600 69.343 -0.743 1 1 1493 . 9 1 1 A 168 168 ASP H H 168 11.030 8.322 2.708 1 1 1494 . 9 1 1 A 168 168 ASP HA H 168 4.640 4.447 0.193 1 1 1497 . 9 1 1 A 168 168 ASP C C 168 177.500 177.534 -0.034 1 1 1498 . 9 1 1 A 168 168 ASP CA C 168 56.800 57.030 -0.230 1 1 1499 . 9 1 1 A 168 168 ASP CB C 168 39.800 40.373 -0.573 1 1 1500 . 9 1 1 A 168 168 ASP N N 168 124.900 122.913 1.987 1 1 1501 . 9 1 1 A 169 169 ASN H H 169 7.970 8.477 -0.507 1 1 1502 . 9 1 1 A 169 169 ASN HA H 169 5.260 4.616 0.644 1 1 1505 . 9 1 1 A 169 169 ASN C C 169 176.100 177.209 -1.109 1 1 1506 . 9 1 1 A 169 169 ASN CA C 169 52.700 53.839 -1.139 1 1 1507 . 9 1 1 A 169 169 ASN CB C 169 38.600 38.403 0.197 1 1 1508 . 9 1 1 A 169 169 ASN N N 169 114.600 117.588 -2.988 1 1 1509 . 9 1 1 A 170 170 GLN H H 170 7.660 7.470 0.190 1 1 1510 . 9 1 1 A 170 170 GLN HA H 170 4.020 3.968 0.052 1 1 1513 . 9 1 1 A 170 170 GLN C C 170 178.100 178.437 -0.337 1 1 1514 . 9 1 1 A 170 170 GLN CA C 170 59.500 59.323 0.177 1 1 1515 . 9 1 1 A 170 170 GLN CB C 170 28.000 28.348 -0.348 1 1 1516 . 9 1 1 A 170 170 GLN N N 170 121.400 118.965 2.435 1 1 1517 . 9 1 1 A 171 171 ARG H H 171 8.570 7.899 0.671 1 1 1518 . 9 1 1 A 171 171 ARG HA H 171 4.250 4.164 0.086 1 1 1521 . 9 1 1 A 171 171 ARG C C 171 178.700 178.516 0.184 1 1 1522 . 9 1 1 A 171 171 ARG CA C 171 58.700 59.110 -0.410 1 1 1523 . 9 1 1 A 171 171 ARG CB C 171 29.100 29.763 -0.663 1 1 1524 . 9 1 1 A 171 171 ARG N N 171 117.500 119.345 -1.845 1 1 1525 . 9 1 1 A 172 172 ILE H H 172 7.700 8.062 -0.362 1 1 1526 . 9 1 1 A 172 172 ILE HA H 172 4.010 3.720 0.290 1 1 1534 . 9 1 1 A 172 172 ILE C C 172 177.600 178.550 -0.950 1 1 1535 . 9 1 1 A 172 172 ILE CA C 172 63.300 65.127 -1.827 1 1 1536 . 9 1 1 A 172 172 ILE CB C 172 37.000 37.852 -0.852 1 1 1537 . 9 1 1 A 172 172 ILE N N 172 121.000 120.386 0.614 1 1 1538 . 9 1 1 A 173 173 LEU H H 173 7.400 8.048 -0.648 1 1 1539 . 9 1 1 A 173 173 LEU HA H 173 3.740 3.991 -0.251 1 1 1548 . 9 1 1 A 173 173 LEU C C 173 179.500 179.522 -0.022 1 1 1549 . 9 1 1 A 173 173 LEU CA C 173 60.500 58.188 2.312 1 1 1550 . 9 1 1 A 173 173 LEU CB C 173 40.500 41.190 -0.690 1 1 1551 . 9 1 1 A 173 173 LEU N N 173 121.400 119.967 1.433 1 1 1552 . 9 1 1 A 174 174 GLU H H 174 8.030 8.193 -0.163 1 1 1553 . 9 1 1 A 174 174 GLU HA H 174 4.000 3.931 0.069 1 1 1557 . 9 1 1 A 174 174 GLU C C 174 180.200 179.063 1.137 1 1 1558 . 9 1 1 A 174 174 GLU CA C 174 59.200 59.776 -0.576 1 1 1559 . 9 1 1 A 174 174 GLU CB C 174 29.300 29.727 -0.427 1 1 1560 . 9 1 1 A 174 174 GLU N N 174 117.200 119.365 -2.165 1 1 1561 . 9 1 1 A 175 175 PHE H H 175 8.000 7.931 0.069 1 1 1562 . 9 1 1 A 175 175 PHE HA H 175 4.150 4.260 -0.110 1 1 1565 . 9 1 1 A 175 175 PHE C C 175 176.400 178.435 -2.035 1 1 1566 . 9 1 1 A 175 175 PHE CA C 175 60.800 61.493 -0.693 1 1 1567 . 9 1 1 A 175 175 PHE CB C 175 38.700 39.027 -0.327 1 1 1568 . 9 1 1 A 175 175 PHE N N 175 122.000 121.242 0.758 1 1 1569 . 9 1 1 A 176 176 PHE H H 176 7.510 7.951 -0.441 1 1 1570 . 9 1 1 A 176 176 PHE HA H 176 4.110 4.456 -0.346 1 1 1573 . 9 1 1 A 176 176 PHE C C 176 175.000 175.774 -0.774 1 1 1574 . 9 1 1 A 176 176 PHE CA C 176 59.300 59.859 -0.559 1 1 1575 . 9 1 1 A 176 176 PHE CB C 176 40.000 39.687 0.313 1 1 1576 . 9 1 1 A 176 176 PHE N N 176 113.100 119.790 -6.690 1 1 1577 . 9 1 1 A 177 177 GLY H H 177 8.030 7.804 0.226 1 1 1578 . 9 1 1 A 177 177 GLY HA2 H 177 3.850 3.850 0.000 1 1 1579 . 9 1 1 A 177 177 GLY C C 177 173.900 174.263 -0.363 1 1 1580 . 9 1 1 A 177 177 GLY CA C 177 46.500 46.915 -0.415 1 1 1581 . 9 1 1 A 177 177 GLY N N 177 110.900 108.914 1.986 1 1 1582 . 9 1 1 A 178 178 LEU H H 178 7.730 7.908 -0.178 1 1 1583 . 9 1 1 A 178 178 LEU HA H 178 4.440 4.781 -0.341 1 1 1592 . 9 1 1 A 178 178 LEU C C 178 175.800 175.684 0.116 1 1 1593 . 9 1 1 A 178 178 LEU CA C 178 53.500 53.556 -0.056 1 1 1594 . 9 1 1 A 178 178 LEU CB C 178 45.900 44.711 1.189 1 1 1595 . 9 1 1 A 178 178 LEU N N 178 120.700 120.628 0.072 1 1 1596 . 9 1 1 A 179 179 LYS H H 179 8.170 8.448 -0.278 1 1 1597 . 9 1 1 A 179 179 LYS HA H 179 4.530 4.723 -0.193 1 1 1600 . 9 1 1 A 179 179 LYS C C 179 178.500 177.171 1.329 1 1 1601 . 9 1 1 A 179 179 LYS CA C 179 54.000 54.883 -0.883 1 1 1602 . 9 1 1 A 179 179 LYS CB C 179 34.100 34.258 -0.158 1 1 1603 . 9 1 1 A 179 179 LYS N N 179 119.500 122.186 -2.686 1 1 1604 . 9 1 1 A 180 180 LYS H H 180 9.110 8.674 0.436 1 1 1605 . 9 1 1 A 180 180 LYS HA H 180 3.820 3.939 -0.119 1 1 1609 . 9 1 1 A 180 180 LYS C C 180 179.600 178.492 1.108 1 1 1610 . 9 1 1 A 180 180 LYS CA C 180 60.900 60.490 0.410 1 1 1611 . 9 1 1 A 180 180 LYS CB C 180 32.100 32.291 -0.191 1 1 1612 . 9 1 1 A 180 180 LYS N N 180 124.200 122.155 2.045 1 1 1613 . 9 1 1 A 181 181 GLU H H 181 9.460 8.091 1.369 1 1 1614 . 9 1 1 A 181 181 GLU HA H 181 4.220 4.225 -0.005 1 1 1617 . 9 1 1 A 181 181 GLU C C 181 176.700 177.179 -0.479 1 1 1618 . 9 1 1 A 181 181 GLU CA C 181 58.700 57.302 1.398 1 1 1619 . 9 1 1 A 181 181 GLU CB C 181 28.300 29.219 -0.919 1 1 1620 . 9 1 1 A 181 181 GLU N N 181 116.600 118.153 -1.553 1 1 1621 . 9 1 1 A 182 182 GLU H H 182 7.660 8.441 -0.781 1 1 1622 . 9 1 1 A 182 182 GLU HA H 182 4.320 4.325 -0.005 1 1 1625 . 9 1 1 A 182 182 GLU C C 182 174.900 175.657 -0.757 1 1 1626 . 9 1 1 A 182 182 GLU CA C 182 55.700 56.429 -0.729 1 1 1627 . 9 1 1 A 182 182 GLU CB C 182 30.600 28.741 1.859 1 1 1628 . 9 1 1 A 182 182 GLU N N 182 118.300 117.762 0.538 1 1 1629 . 9 1 1 A 183 183 CYS H H 183 7.090 8.214 -1.124 1 1 1630 . 9 1 1 A 183 183 CYS HA H 183 4.270 5.017 -0.747 1 1 1633 . 9 1 1 A 183 183 CYS CA C 183 58.200 56.822 1.378 1 1 1634 . 9 1 1 A 183 183 CYS CB C 183 27.400 29.258 -1.858 1 1 1635 . 9 1 1 A 183 183 CYS N N 183 117.700 119.902 -2.202 1 1 1636 . 9 1 1 A 184 184 PRO HA H 184 5.370 4.788 0.582 1 1 1637 . 9 1 1 A 184 184 PRO C C 184 174.300 175.979 -1.679 1 1 1638 . 9 1 1 A 184 184 PRO CA C 184 61.500 63.239 -1.739 1 1 1639 . 9 1 1 A 184 184 PRO CB C 184 36.000 32.521 3.479 1 1 1640 . 9 1 1 A 185 185 ALA H H 185 8.370 8.527 -0.157 1 1 1641 . 9 1 1 A 185 185 ALA HA H 185 4.790 4.785 0.005 1 1 1645 . 9 1 1 A 185 185 ALA C C 185 174.800 174.519 0.281 1 1 1646 . 9 1 1 A 185 185 ALA CA C 185 51.600 51.016 0.584 1 1 1647 . 9 1 1 A 185 185 ALA CB C 185 23.400 23.724 -0.324 1 1 1648 . 9 1 1 A 185 185 ALA N N 185 123.000 121.333 1.667 1 1 1649 . 9 1 1 A 186 186 VAL H H 186 8.660 8.649 0.011 1 1 1650 . 9 1 1 A 186 186 VAL HA H 186 5.710 4.459 1.251 1 1 1655 . 9 1 1 A 186 186 VAL C C 186 176.500 174.352 2.148 1 1 1656 . 9 1 1 A 186 186 VAL CA C 186 59.300 59.387 -0.087 1 1 1657 . 9 1 1 A 186 186 VAL CB C 186 35.300 33.836 1.464 1 1 1658 . 9 1 1 A 186 186 VAL N N 186 117.900 117.946 -0.046 1 1 1659 . 9 1 1 A 187 187 ARG H H 187 8.910 9.027 -0.117 1 1 1660 . 9 1 1 A 187 187 ARG HA H 187 5.000 5.320 -0.320 1 1 1663 . 9 1 1 A 187 187 ARG C C 187 172.600 174.782 -2.182 1 1 1664 . 9 1 1 A 187 187 ARG CA C 187 53.000 54.453 -1.453 1 1 1665 . 9 1 1 A 187 187 ARG CB C 187 35.900 33.743 2.157 1 1 1666 . 9 1 1 A 187 187 ARG N N 187 123.000 127.308 -4.308 1 1 1667 . 9 1 1 A 188 188 LEU H H 188 8.790 9.288 -0.498 1 1 1668 . 9 1 1 A 188 188 LEU HA H 188 5.420 5.222 0.198 1 1 1677 . 9 1 1 A 188 188 LEU C C 188 174.600 176.237 -1.637 1 1 1678 . 9 1 1 A 188 188 LEU CA C 188 54.300 53.600 0.700 1 1 1679 . 9 1 1 A 188 188 LEU CB C 188 47.300 45.183 2.117 1 1 1680 . 9 1 1 A 188 188 LEU N N 188 124.700 124.685 0.015 1 1 1681 . 9 1 1 A 189 189 ILE H H 189 9.590 8.851 0.739 1 1 1682 . 9 1 1 A 189 189 ILE HA H 189 5.880 5.227 0.653 1 1 1690 . 9 1 1 A 189 189 ILE C C 189 173.500 175.248 -1.748 1 1 1691 . 9 1 1 A 189 189 ILE CA C 189 58.400 59.898 -1.498 1 1 1692 . 9 1 1 A 189 189 ILE CB C 189 43.000 42.545 0.455 1 1 1693 . 9 1 1 A 189 189 ILE N N 189 121.800 122.024 -0.224 1 1 1694 . 9 1 1 A 190 190 THR H H 190 8.750 8.833 -0.083 1 1 1695 . 9 1 1 A 190 190 THR HA H 190 5.360 5.168 0.192 1 1 1700 . 9 1 1 A 190 190 THR C C 190 174.300 173.417 0.883 1 1 1701 . 9 1 1 A 190 190 THR CA C 190 58.800 59.775 -0.975 1 1 1702 . 9 1 1 A 190 190 THR CB C 190 70.400 71.873 -1.473 1 1 1703 . 9 1 1 A 190 190 THR N N 190 114.200 120.796 -6.596 1 1 1704 . 9 1 1 A 191 191 LEU H H 191 8.610 8.534 0.076 1 1 1705 . 9 1 1 A 191 191 LEU HA H 191 4.640 5.056 -0.416 1 1 1711 . 9 1 1 A 191 191 LEU C C 191 176.400 175.575 0.825 1 1 1712 . 9 1 1 A 191 191 LEU CA C 191 54.500 54.395 0.105 1 1 1713 . 9 1 1 A 191 191 LEU CB C 191 42.300 46.137 -3.837 1 1 1714 . 9 1 1 A 191 191 LEU N N 191 125.500 123.797 1.703 1 1 1715 . 9 1 1 A 192 192 GLU H H 192 7.540 8.653 -1.113 1 1 1716 . 9 1 1 A 192 192 GLU HA H 192 4.510 4.438 0.072 1 1 1719 . 9 1 1 A 192 192 GLU C C 192 176.100 176.616 -0.516 1 1 1720 . 9 1 1 A 192 192 GLU CA C 192 56.300 57.788 -1.488 1 1 1721 . 9 1 1 A 192 192 GLU CB C 192 29.800 31.075 -1.275 1 1 1722 . 9 1 1 A 192 192 GLU N N 192 123.400 123.824 -0.424 1 1 1723 . 9 1 1 A 193 193 GLU H H 193 8.490 8.287 0.203 1 1 1724 . 9 1 1 A 193 193 GLU HA H 193 4.150 4.229 -0.079 1 1 1727 . 9 1 1 A 193 193 GLU C C 193 176.700 175.823 0.877 1 1 1728 . 9 1 1 A 193 193 GLU CA C 193 59.200 57.945 1.255 1 1 1729 . 9 1 1 A 193 193 GLU CB C 193 29.000 31.148 -2.148 1 1 1730 . 9 1 1 A 193 193 GLU N N 193 122.400 120.123 2.277 1 1 1731 . 9 1 1 A 194 194 GLU H H 194 7.990 7.837 0.153 1 1 1732 . 9 1 1 A 194 194 GLU HA H 194 4.460 4.694 -0.234 1 1 1736 . 9 1 1 A 194 194 GLU C C 194 175.700 174.104 1.596 1 1 1737 . 9 1 1 A 194 194 GLU CA C 194 54.900 55.702 -0.802 1 1 1738 . 9 1 1 A 194 194 GLU CB C 194 31.400 33.305 -1.905 1 1 1739 . 9 1 1 A 194 194 GLU N N 194 116.200 116.999 -0.799 1 1 1740 . 9 1 1 A 195 195 MET H H 195 8.760 8.590 0.170 1 1 1741 . 9 1 1 A 195 195 MET HA H 195 5.050 5.194 -0.144 1 1 1746 . 9 1 1 A 195 195 MET C C 195 175.900 175.204 0.696 1 1 1747 . 9 1 1 A 195 195 MET CA C 195 56.000 54.073 1.927 1 1 1748 . 9 1 1 A 195 195 MET CB C 195 33.200 32.915 0.285 1 1 1749 . 9 1 1 A 195 195 MET N N 195 123.000 120.676 2.324 1 1 1750 . 9 1 1 A 196 196 THR H H 196 8.400 8.696 -0.296 1 1 1751 . 9 1 1 A 196 196 THR HA H 196 4.400 5.415 -1.015 1 1 1756 . 9 1 1 A 196 196 THR C C 196 172.000 173.603 -1.603 1 1 1757 . 9 1 1 A 196 196 THR CA C 196 62.900 59.978 2.922 1 1 1758 . 9 1 1 A 196 196 THR CB C 196 69.800 71.404 -1.604 1 1 1759 . 9 1 1 A 196 196 THR N N 196 122.000 114.625 7.375 1 1 1760 . 9 1 1 A 197 197 LYS H H 197 8.530 9.055 -0.525 1 1 1761 . 9 1 1 A 197 197 LYS HA H 197 5.420 5.119 0.301 1 1 1764 . 9 1 1 A 197 197 LYS C C 197 174.700 174.784 -0.084 1 1 1765 . 9 1 1 A 197 197 LYS CA C 197 55.000 54.751 0.249 1 1 1766 . 9 1 1 A 197 197 LYS CB C 197 35.600 35.952 -0.352 1 1 1767 . 9 1 1 A 197 197 LYS N N 197 123.900 123.095 0.805 1 1 1768 . 9 1 1 A 198 198 TYR H H 198 9.540 9.479 0.061 1 1 1769 . 9 1 1 A 198 198 TYR HA H 198 4.880 5.404 -0.524 1 1 1772 . 9 1 1 A 198 198 TYR C C 198 174.400 173.514 0.886 1 1 1773 . 9 1 1 A 198 198 TYR CA C 198 57.700 56.488 1.212 1 1 1774 . 9 1 1 A 198 198 TYR CB C 198 41.700 41.986 -0.286 1 1 1775 . 9 1 1 A 198 198 TYR N N 198 117.900 124.260 -6.360 1 1 1776 . 9 1 1 A 199 199 LYS H H 199 9.290 8.498 0.792 1 1 1777 . 9 1 1 A 199 199 LYS HA H 199 5.070 5.111 -0.041 1 1 1781 . 9 1 1 A 199 199 LYS CA C 199 52.500 53.358 -0.858 1 1 1782 . 9 1 1 A 199 199 LYS CB C 199 35.400 35.354 0.046 1 1 1783 . 9 1 1 A 199 199 LYS N N 199 122.600 129.077 -6.477 1 1 1784 . 9 1 1 A 200 200 PRO HA H 200 4.120 5.203 -1.083 1 1 1785 . 9 1 1 A 200 200 PRO C C 200 176.700 175.957 0.743 1 1 1786 . 9 1 1 A 200 200 PRO CA C 200 62.000 62.758 -0.758 1 1 1787 . 9 1 1 A 200 200 PRO CB C 200 31.200 33.595 -2.395 1 1 1788 . 9 1 1 A 201 201 GLU H H 201 9.010 9.152 -0.142 1 1 1789 . 9 1 1 A 201 201 GLU HA H 201 4.110 4.570 -0.460 1 1 1793 . 9 1 1 A 201 201 GLU C C 201 176.100 175.925 0.175 1 1 1794 . 9 1 1 A 201 201 GLU CA C 201 57.600 58.125 -0.525 1 1 1795 . 9 1 1 A 201 201 GLU CB C 201 30.400 31.643 -1.243 1 1 1796 . 9 1 1 A 201 201 GLU N N 201 119.700 119.817 -0.117 1 1 1797 . 9 1 1 A 202 202 SER H H 202 7.570 7.867 -0.297 1 1 1798 . 9 1 1 A 202 202 SER HA H 202 4.650 4.549 0.101 1 1 1801 . 9 1 1 A 202 202 SER C C 202 174.400 174.418 -0.018 1 1 1802 . 9 1 1 A 202 202 SER CA C 202 56.400 58.253 -1.853 1 1 1803 . 9 1 1 A 202 202 SER CB C 202 65.100 65.060 0.040 1 1 1804 . 9 1 1 A 202 202 SER N N 202 111.900 112.668 -0.768 1 1 1805 . 9 1 1 A 203 203 GLU H H 203 8.790 9.096 -0.306 1 1 1806 . 9 1 1 A 203 203 GLU HA H 203 4.370 5.176 -0.806 1 1 1809 . 9 1 1 A 203 203 GLU C C 203 176.100 174.905 1.195 1 1 1810 . 9 1 1 A 203 203 GLU CA C 203 56.200 54.833 1.367 1 1 1811 . 9 1 1 A 203 203 GLU CB C 203 29.500 32.204 -2.704 1 1 1812 . 9 1 1 A 203 203 GLU N N 203 122.800 118.428 4.372 1 1 1813 . 9 1 1 A 204 204 GLU H H 204 8.030 8.962 -0.932 1 1 1814 . 9 1 1 A 204 204 GLU HA H 204 4.110 4.690 -0.580 1 1 1817 . 9 1 1 A 204 204 GLU C C 204 176.300 175.168 1.132 1 1 1818 . 9 1 1 A 204 204 GLU CA C 204 57.300 56.220 1.080 1 1 1819 . 9 1 1 A 204 204 GLU CB C 204 31.100 30.968 0.132 1 1 1820 . 9 1 1 A 204 204 GLU N N 204 120.700 121.706 -1.006 1 1 1821 . 9 1 1 A 205 205 LEU H H 205 8.690 8.364 0.326 1 1 1822 . 9 1 1 A 205 205 LEU HA H 205 4.580 4.990 -0.410 1 1 1831 . 9 1 1 A 205 205 LEU C C 205 176.300 177.449 -1.149 1 1 1832 . 9 1 1 A 205 205 LEU CA C 205 53.100 53.125 -0.025 1 1 1833 . 9 1 1 A 205 205 LEU CB C 205 41.100 45.121 -4.021 1 1 1834 . 9 1 1 A 205 205 LEU N N 205 125.500 122.963 2.537 1 1 1835 . 9 1 1 A 206 206 THR H H 206 6.800 8.862 -2.062 1 1 1836 . 9 1 1 A 206 206 THR HA H 206 4.370 3.922 0.448 1 1 1841 . 9 1 1 A 206 206 THR C C 206 175.200 176.423 -1.223 1 1 1842 . 9 1 1 A 206 206 THR CA C 206 59.400 65.566 -6.166 1 1 1843 . 9 1 1 A 206 206 THR CB C 206 70.400 68.016 2.384 1 1 1844 . 9 1 1 A 206 206 THR N N 206 108.200 117.664 -9.464 1 1 1845 . 9 1 1 A 207 207 ALA H H 207 9.320 8.194 1.126 1 1 1846 . 9 1 1 A 207 207 ALA HA H 207 4.010 3.780 0.230 1 1 1850 . 9 1 1 A 207 207 ALA C C 207 180.800 179.573 1.227 1 1 1851 . 9 1 1 A 207 207 ALA CA C 207 56.000 54.904 1.096 1 1 1852 . 9 1 1 A 207 207 ALA CB C 207 18.200 18.055 0.145 1 1 1853 . 9 1 1 A 207 207 ALA N N 207 125.300 124.439 0.861 1 1 1854 . 9 1 1 A 208 208 GLU H H 208 9.390 8.100 1.290 1 1 1855 . 9 1 1 A 208 208 GLU HA H 208 4.050 4.006 0.044 1 1 1859 . 9 1 1 A 208 208 GLU C C 208 179.100 178.753 0.347 1 1 1860 . 9 1 1 A 208 208 GLU CA C 208 60.200 59.139 1.061 1 1 1861 . 9 1 1 A 208 208 GLU CB C 208 29.100 29.412 -0.312 1 1 1862 . 9 1 1 A 208 208 GLU N N 208 118.500 119.811 -1.311 1 1 1863 . 9 1 1 A 209 209 ARG H H 209 7.700 9.227 -1.527 1 1 1864 . 9 1 1 A 209 209 ARG HA H 209 4.230 4.523 -0.293 1 1 1867 . 9 1 1 A 209 209 ARG C C 209 180.000 178.806 1.194 1 1 1868 . 9 1 1 A 209 209 ARG CA C 209 57.900 59.115 -1.215 1 1 1869 . 9 1 1 A 209 209 ARG CB C 209 30.100 29.879 0.221 1 1 1870 . 9 1 1 A 209 209 ARG N N 209 119.700 118.919 0.781 1 1 1871 . 9 1 1 A 210 210 ILE H H 210 8.540 7.402 1.138 1 1 1872 . 9 1 1 A 210 210 ILE HA H 210 3.950 3.753 0.197 1 1 1880 . 9 1 1 A 210 210 ILE C C 210 178.000 178.020 -0.020 1 1 1881 . 9 1 1 A 210 210 ILE CA C 210 65.400 64.208 1.192 1 1 1882 . 9 1 1 A 210 210 ILE CB C 210 38.300 37.489 0.811 1 1 1883 . 9 1 1 A 210 210 ILE N N 210 122.000 117.652 4.348 1 1 1884 . 9 1 1 A 211 211 THR H H 211 8.620 8.511 0.109 1 1 1885 . 9 1 1 A 211 211 THR HA H 211 4.040 3.827 0.213 1 1 1890 . 9 1 1 A 211 211 THR C C 211 175.300 176.800 -1.500 1 1 1891 . 9 1 1 A 211 211 THR CA C 211 67.800 67.056 0.744 1 1 1892 . 9 1 1 A 211 211 THR CB C 211 68.300 68.326 -0.026 1 1 1893 . 9 1 1 A 211 211 THR N N 211 117.100 118.342 -1.242 1 1 1894 . 9 1 1 A 212 212 GLU H H 212 8.050 8.742 -0.692 1 1 1895 . 9 1 1 A 212 212 GLU HA H 212 4.280 4.121 0.159 1 1 1898 . 9 1 1 A 212 212 GLU C C 212 177.200 179.307 -2.107 1 1 1899 . 9 1 1 A 212 212 GLU CA C 212 59.700 59.337 0.363 1 1 1900 . 9 1 1 A 212 212 GLU CB C 212 30.300 28.975 1.325 1 1 1901 . 9 1 1 A 212 212 GLU N N 212 121.600 119.425 2.175 1 1 1902 . 9 1 1 A 213 213 PHE H H 213 7.890 8.206 -0.316 1 1 1903 . 9 1 1 A 213 213 PHE HA H 213 4.620 4.311 0.309 1 1 1906 . 9 1 1 A 213 213 PHE C C 213 176.300 178.231 -1.931 1 1 1907 . 9 1 1 A 213 213 PHE CA C 213 59.300 60.362 -1.062 1 1 1908 . 9 1 1 A 213 213 PHE CB C 213 38.700 38.796 -0.096 1 1 1909 . 9 1 1 A 213 213 PHE N N 213 119.700 120.290 -0.590 1 1 1910 . 9 1 1 A 214 214 CYS H H 214 7.700 8.267 -0.567 1 1 1911 . 9 1 1 A 214 214 CYS HA H 214 3.260 3.847 -0.587 1 1 1914 . 9 1 1 A 214 214 CYS C C 214 177.000 177.088 -0.088 1 1 1915 . 9 1 1 A 214 214 CYS CA C 214 64.500 63.768 0.732 1 1 1916 . 9 1 1 A 214 214 CYS CB C 214 27.400 25.737 1.663 1 1 1917 . 9 1 1 A 214 214 CYS N N 214 116.000 117.246 -1.246 1 1 1918 . 9 1 1 A 215 215 HIS H H 215 8.640 8.049 0.591 1 1 1919 . 9 1 1 A 215 215 HIS HA H 215 4.500 4.164 0.336 1 1 1922 . 9 1 1 A 215 215 HIS C C 215 178.100 176.747 1.353 1 1 1923 . 9 1 1 A 215 215 HIS CA C 215 60.300 59.953 0.347 1 1 1924 . 9 1 1 A 215 215 HIS CB C 215 30.300 29.449 0.851 1 1 1925 . 9 1 1 A 215 215 HIS N N 215 118.100 119.845 -1.745 1 1 1926 . 9 1 1 A 216 216 ARG H H 216 8.730 8.085 0.645 1 1 1927 . 9 1 1 A 216 216 ARG HA H 216 3.920 3.731 0.189 1 1 1930 . 9 1 1 A 216 216 ARG C C 216 179.100 178.908 0.192 1 1 1931 . 9 1 1 A 216 216 ARG CA C 216 59.800 59.739 0.061 1 1 1932 . 9 1 1 A 216 216 ARG CB C 216 30.100 29.615 0.485 1 1 1933 . 9 1 1 A 216 216 ARG N N 216 118.700 118.276 0.424 1 1 1934 . 9 1 1 A 217 217 PHE H H 217 8.390 7.808 0.582 1 1 1935 . 9 1 1 A 217 217 PHE HA H 217 3.970 4.109 -0.139 1 1 1938 . 9 1 1 A 217 217 PHE C C 217 179.200 177.203 1.997 1 1 1939 . 9 1 1 A 217 217 PHE CA C 217 60.700 61.108 -0.408 1 1 1940 . 9 1 1 A 217 217 PHE CB C 217 37.800 38.972 -1.172 1 1 1941 . 9 1 1 A 217 217 PHE N N 217 120.600 120.685 -0.085 1 1 1942 . 9 1 1 A 218 218 LEU H H 218 8.250 8.981 -0.731 1 1 1943 . 9 1 1 A 218 218 LEU HA H 218 3.500 4.279 -0.779 1 1 1953 . 9 1 1 A 218 218 LEU C C 218 178.800 178.188 0.612 1 1 1954 . 9 1 1 A 218 218 LEU CA C 218 57.400 57.099 0.301 1 1 1955 . 9 1 1 A 218 218 LEU CB C 218 41.300 41.515 -0.215 1 1 1956 . 9 1 1 A 218 218 LEU N N 218 123.500 119.128 4.372 1 1 1957 . 9 1 1 A 219 219 GLU H H 219 7.770 7.804 -0.034 1 1 1958 . 9 1 1 A 219 219 GLU HA H 219 4.200 4.508 -0.308 1 1 1963 . 9 1 1 A 219 219 GLU C C 219 176.800 176.688 0.112 1 1 1964 . 9 1 1 A 219 219 GLU CA C 219 56.200 56.270 -0.070 1 1 1965 . 9 1 1 A 219 219 GLU CB C 219 30.600 30.249 0.351 1 1 1966 . 9 1 1 A 219 219 GLU N N 219 116.400 118.861 -2.461 1 1 1967 . 9 1 1 A 220 220 GLY H H 220 7.720 7.871 -0.151 1 1 1968 . 9 1 1 A 220 220 GLY HA2 H 220 3.890 3.899 -0.009 1 1 1969 . 9 1 1 A 220 220 GLY HA3 H 220 3.960 3.919 0.041 1 1 1970 . 9 1 1 A 220 220 GLY C C 220 176.300 174.664 1.636 1 1 1971 . 9 1 1 A 220 220 GLY CA C 220 46.300 46.290 0.010 1 1 1972 . 9 1 1 A 220 220 GLY N N 220 108.600 108.940 -0.340 1 1 1973 . 9 1 1 A 221 221 LYS H H 221 8.000 7.431 0.569 1 1 1974 . 9 1 1 A 221 221 LYS HA H 221 4.320 4.205 0.115 1 1 1978 . 9 1 1 A 221 221 LYS C C 221 175.900 175.708 0.192 1 1 1979 . 9 1 1 A 221 221 LYS CA C 221 56.100 55.858 0.242 1 1 1980 . 9 1 1 A 221 221 LYS CB C 221 33.700 33.429 0.271 1 1 1981 . 9 1 1 A 221 221 LYS N N 221 116.600 121.316 -4.716 1 1 1982 . 9 1 1 A 222 222 ILE H H 222 7.910 8.352 -0.442 1 1 1983 . 9 1 1 A 222 222 ILE HA H 222 4.570 4.161 0.409 1 1 1992 . 9 1 1 A 222 222 ILE C C 222 175.400 175.560 -0.160 1 1 1993 . 9 1 1 A 222 222 ILE CA C 222 59.200 60.034 -0.834 1 1 1994 . 9 1 1 A 222 222 ILE CB C 222 38.800 40.021 -1.221 1 1 1995 . 9 1 1 A 222 222 ILE N N 222 118.900 119.750 -0.850 1 1 1996 . 9 1 1 A 223 223 LYS H H 223 8.760 8.306 0.454 1 1 1997 . 9 1 1 A 223 223 LYS HA H 223 4.570 4.556 0.014 1 1 2000 . 9 1 1 A 223 223 LYS CA C 223 54.300 53.968 0.332 1 1 2001 . 9 1 1 A 223 223 LYS CB C 223 32.000 31.988 0.012 1 1 2002 . 9 1 1 A 223 223 LYS N N 223 127.700 122.147 5.553 1 1 2003 . 9 1 1 A 224 224 PRO C C 224 175.900 175.899 0.001 1 1 2004 . 9 1 1 A 224 224 PRO CA C 224 63.000 62.321 0.679 1 1 2005 . 9 1 1 A 224 224 PRO CB C 224 32.300 33.291 -0.991 1 1 2006 . 9 1 1 A 225 225 HIS H H 225 8.770 8.217 0.553 1 1 2007 . 9 1 1 A 225 225 HIS C C 225 174.700 174.979 -0.279 1 1 2008 . 9 1 1 A 225 225 HIS CA C 225 55.800 55.651 0.149 1 1 2009 . 9 1 1 A 225 225 HIS CB C 225 31.100 30.644 0.456 1 1 2010 . 9 1 1 A 225 225 HIS N N 225 121.800 118.669 3.131 1 1 2011 . 9 1 1 A 226 226 LEU H H 226 8.160 8.993 -0.833 1 1 2012 . 9 1 1 A 226 226 LEU C C 226 176.400 177.786 -1.386 1 1 2013 . 9 1 1 A 226 226 LEU CA C 226 54.500 55.885 -1.385 1 1 2014 . 9 1 1 A 226 226 LEU CB C 226 42.300 44.669 -2.369 1 1 2015 . 9 1 1 A 226 226 LEU N N 226 127.000 121.185 5.815 1 1 2016 . 9 1 1 A 227 227 MET H H 227 7.980 8.586 -0.606 1 1 2017 . 9 1 1 A 227 227 MET C C 227 175.100 175.845 -0.745 1 1 2018 . 9 1 1 A 227 227 MET CA C 227 55.400 56.336 -0.936 1 1 2019 . 9 1 1 A 227 227 MET CB C 227 33.000 35.433 -2.433 1 1 2020 . 9 1 1 A 227 227 MET N N 227 120.800 115.123 5.677 1 1 2025 . 9 2 1 A 2 2 PRO C C 2 176.900 175.980 0.920 1 1 2026 . 9 2 1 A 2 2 PRO CA C 2 63.300 62.413 0.887 1 1 2027 . 9 2 1 A 2 2 PRO CB C 2 32.200 29.530 2.670 1 1 2028 . 9 2 1 A 3 3 LEU H H 3 8.510 8.114 0.396 1 1 2029 . 9 2 1 A 3 3 LEU C C 3 177.700 176.124 1.576 1 1 2030 . 9 2 1 A 3 3 LEU CA C 3 55.300 54.091 1.209 1 1 2031 . 9 2 1 A 3 3 LEU CB C 3 42.100 40.433 1.667 1 1 2032 . 9 2 1 A 3 3 LEU N N 3 121.400 124.744 -3.344 1 1 2033 . 9 2 1 A 4 4 GLY H H 4 8.190 7.727 0.463 1 1 2034 . 9 2 1 A 4 4 GLY C C 4 172.900 171.617 1.283 1 1 2035 . 9 2 1 A 4 4 GLY CA C 4 45.200 45.719 -0.519 1 1 2036 . 9 2 1 A 4 4 GLY N N 4 109.400 110.665 -1.265 1 1 2037 . 9 2 1 A 5 5 SER H H 5 7.830 8.652 -0.822 1 1 2038 . 9 2 1 A 5 5 SER CA C 5 55.500 55.409 0.091 1 1 2039 . 9 2 1 A 5 5 SER CB C 5 64.100 65.981 -1.881 1 1 2040 . 9 2 1 A 5 5 SER N N 5 115.400 116.667 -1.267 1 1 2041 . 9 2 1 A 221 221 LYS C C 221 176.800 175.708 1.092 1 1 2042 . 9 2 1 A 221 221 LYS CA C 221 56.100 55.858 0.242 1 1 2043 . 9 2 1 A 221 221 LYS CB C 221 32.500 33.429 -0.929 1 1 2044 . 9 2 1 A 222 222 ILE H H 222 7.630 8.352 -0.722 1 1 2045 . 9 2 1 A 222 222 ILE C C 222 175.800 175.560 0.240 1 1 2046 . 9 2 1 A 222 222 ILE CA C 222 61.300 60.034 1.266 1 1 2047 . 9 2 1 A 222 222 ILE CB C 222 38.500 40.021 -1.521 1 1 2048 . 9 2 1 A 222 222 ILE N N 222 118.900 119.750 -0.850 1 1 2049 . 9 2 1 A 223 223 LYS H H 223 8.080 8.306 -0.226 1 1 2050 . 9 2 1 A 223 223 LYS CA C 223 54.300 53.968 0.332 1 1 2051 . 9 2 1 A 223 223 LYS CB C 223 32.400 31.988 0.412 1 1 2052 . 9 2 1 A 223 223 LYS N N 223 125.500 122.147 3.353 1 1 2053 . 9 2 1 A 224 224 PRO C C 224 176.700 175.899 0.801 1 1 2054 . 9 2 1 A 224 224 PRO CA C 224 63.400 62.321 1.079 1 1 2055 . 9 2 1 A 224 224 PRO CB C 224 31.800 33.291 -1.491 1 1 2056 . 9 2 1 A 225 225 HIS H H 225 8.330 8.217 0.113 1 1 2057 . 9 2 1 A 225 225 HIS C C 225 175.000 174.979 0.021 1 1 2058 . 9 2 1 A 225 225 HIS CA C 225 56.100 55.651 0.449 1 1 2059 . 9 2 1 A 225 225 HIS CB C 225 30.300 30.644 -0.344 1 1 2060 . 9 2 1 A 225 225 HIS N N 225 119.000 118.669 0.331 1 1 2061 . 9 2 1 A 226 226 LEU H H 226 8.030 8.993 -0.963 1 1 2062 . 9 2 1 A 226 226 LEU C C 226 176.800 177.786 -0.986 1 1 2063 . 9 2 1 A 226 226 LEU CA C 226 55.000 55.885 -0.885 1 1 2064 . 9 2 1 A 226 226 LEU CB C 226 42.300 44.669 -2.369 1 1 2065 . 9 2 1 A 226 226 LEU N N 226 123.200 121.185 2.015 1 1 2066 . 9 2 1 A 227 227 MET H H 227 8.280 8.586 -0.306 1 1 2067 . 9 2 1 A 227 227 MET CA C 227 55.300 56.336 -1.036 1 1 2068 . 9 2 1 A 227 227 MET CB C 227 32.900 35.433 -2.533 1 1 1 . 10 1 1 A 2 2 PRO C C 2 176.900 177.305 -0.405 1 1 2 . 10 1 1 A 2 2 PRO CA C 2 63.000 62.199 0.801 1 1 3 . 10 1 1 A 2 2 PRO CB C 2 32.100 29.121 2.979 1 1 4 . 10 1 1 A 3 3 LEU H H 3 8.510 8.595 -0.085 1 1 5 . 10 1 1 A 3 3 LEU HA H 3 4.320 4.370 -0.050 1 1 10 . 10 1 1 A 3 3 LEU C C 3 177.900 177.369 0.531 1 1 11 . 10 1 1 A 3 3 LEU CA C 3 55.500 56.167 -0.667 1 1 12 . 10 1 1 A 3 3 LEU CB C 3 42.000 42.269 -0.269 1 1 13 . 10 1 1 A 3 3 LEU N N 3 122.400 126.064 -3.664 1 1 14 . 10 1 1 A 4 4 GLY H H 4 8.450 7.406 1.044 1 1 15 . 10 1 1 A 4 4 GLY HA2 H 4 3.900 4.112 -0.212 1 1 16 . 10 1 1 A 4 4 GLY HA3 H 4 4.020 4.112 -0.092 1 1 17 . 10 1 1 A 4 4 GLY C C 4 173.800 172.505 1.295 1 1 18 . 10 1 1 A 4 4 GLY CA C 4 45.100 45.793 -0.693 1 1 19 . 10 1 1 A 4 4 GLY N N 4 110.200 107.227 2.973 1 1 20 . 10 1 1 A 5 5 SER H H 5 8.040 8.712 -0.672 1 1 21 . 10 1 1 A 5 5 SER HA H 5 4.010 5.016 -1.006 1 1 23 . 10 1 1 A 5 5 SER CA C 5 56.300 55.409 0.891 1 1 24 . 10 1 1 A 5 5 SER CB C 5 63.300 65.899 -2.599 1 1 25 . 10 1 1 A 5 5 SER N N 5 116.900 117.638 -0.738 1 1 26 . 10 1 1 A 6 6 PRO HA H 6 4.450 4.504 -0.054 1 1 29 . 10 1 1 A 6 6 PRO C C 6 176.700 176.879 -0.179 1 1 30 . 10 1 1 A 6 6 PRO CA C 6 63.000 62.718 0.282 1 1 31 . 10 1 1 A 6 6 PRO CB C 6 32.000 32.572 -0.572 1 1 32 . 10 1 1 A 7 7 ALA H H 7 8.560 8.557 0.003 1 1 33 . 10 1 1 A 7 7 ALA HA H 7 4.100 4.117 -0.017 1 1 37 . 10 1 1 A 7 7 ALA C C 7 176.600 177.400 -0.800 1 1 38 . 10 1 1 A 7 7 ALA CA C 7 53.400 54.396 -0.996 1 1 39 . 10 1 1 A 7 7 ALA CB C 7 19.600 18.669 0.931 1 1 40 . 10 1 1 A 7 7 ALA N N 7 123.600 123.087 0.513 1 1 41 . 10 1 1 A 8 8 ALA H H 8 7.410 7.446 -0.036 1 1 42 . 10 1 1 A 8 8 ALA HA H 8 4.680 5.520 -0.840 1 1 46 . 10 1 1 A 8 8 ALA C C 8 175.900 176.482 -0.582 1 1 47 . 10 1 1 A 8 8 ALA CA C 8 50.100 50.563 -0.463 1 1 48 . 10 1 1 A 8 8 ALA CB C 8 21.300 20.692 0.608 1 1 49 . 10 1 1 A 8 8 ALA N N 8 116.200 119.472 -3.272 1 1 50 . 10 1 1 A 9 9 THR H H 9 8.670 9.402 -0.732 1 1 51 . 10 1 1 A 9 9 THR HA H 9 4.330 5.043 -0.713 1 1 56 . 10 1 1 A 9 9 THR C C 9 174.400 173.835 0.565 1 1 57 . 10 1 1 A 9 9 THR CA C 9 62.600 61.553 1.047 1 1 58 . 10 1 1 A 9 9 THR CB C 9 70.100 70.012 0.088 1 1 59 . 10 1 1 A 9 9 THR N N 9 119.900 117.587 2.313 1 1 60 . 10 1 1 A 10 10 THR H H 10 9.000 8.850 0.150 1 1 61 . 10 1 1 A 10 10 THR HA H 10 4.580 5.671 -1.091 1 1 66 . 10 1 1 A 10 10 THR C C 10 174.100 173.825 0.275 1 1 67 . 10 1 1 A 10 10 THR CA C 10 63.900 60.540 3.360 1 1 68 . 10 1 1 A 10 10 THR CB C 10 68.500 70.083 -1.583 1 1 69 . 10 1 1 A 10 10 THR N N 10 125.900 119.392 6.508 1 1 70 . 10 1 1 A 11 11 LEU H H 11 9.010 8.797 0.213 1 1 71 . 10 1 1 A 11 11 LEU HA H 11 4.970 4.701 0.269 1 1 77 . 10 1 1 A 11 11 LEU CA C 11 50.200 52.668 -2.468 1 1 78 . 10 1 1 A 11 11 LEU CB C 11 41.700 42.632 -0.932 1 1 79 . 10 1 1 A 11 11 LEU N N 11 127.200 123.936 3.264 1 1 80 . 10 1 1 A 12 12 PRO HA H 12 4.520 4.477 0.043 1 1 83 . 10 1 1 A 12 12 PRO C C 12 175.300 175.661 -0.361 1 1 84 . 10 1 1 A 12 12 PRO CA C 12 63.900 64.034 -0.134 1 1 85 . 10 1 1 A 12 12 PRO CB C 12 32.700 32.002 0.698 1 1 86 . 10 1 1 A 13 13 ASP H H 13 7.110 7.312 -0.202 1 1 87 . 10 1 1 A 13 13 ASP HA H 13 4.420 4.877 -0.457 1 1 90 . 10 1 1 A 13 13 ASP C C 13 175.400 176.597 -1.197 1 1 91 . 10 1 1 A 13 13 ASP CA C 13 52.300 52.767 -0.467 1 1 92 . 10 1 1 A 13 13 ASP CB C 13 42.000 42.642 -0.642 1 1 93 . 10 1 1 A 13 13 ASP N N 13 112.100 112.104 -0.004 1 1 94 . 10 1 1 A 14 14 GLY H H 14 9.120 9.093 0.027 1 1 95 . 10 1 1 A 14 14 GLY HA2 H 14 3.610 3.804 -0.194 1 1 96 . 10 1 1 A 14 14 GLY HA3 H 14 4.010 3.810 0.200 1 1 97 . 10 1 1 A 14 14 GLY C C 14 175.100 175.896 -0.796 1 1 98 . 10 1 1 A 14 14 GLY CA C 14 47.400 47.534 -0.134 1 1 99 . 10 1 1 A 14 14 GLY N N 14 106.600 107.444 -0.844 1 1 100 . 10 1 1 A 15 15 ALA H H 15 8.050 8.056 -0.006 1 1 101 . 10 1 1 A 15 15 ALA HA H 15 4.170 4.019 0.151 1 1 105 . 10 1 1 A 15 15 ALA C C 15 180.500 179.743 0.757 1 1 106 . 10 1 1 A 15 15 ALA CA C 15 54.800 54.623 0.177 1 1 107 . 10 1 1 A 15 15 ALA CB C 15 17.600 18.074 -0.474 1 1 108 . 10 1 1 A 15 15 ALA N N 15 125.100 124.573 0.527 1 1 109 . 10 1 1 A 16 16 ALA H H 16 8.260 8.278 -0.018 1 1 110 . 10 1 1 A 16 16 ALA HA H 16 4.170 4.024 0.146 1 1 114 . 10 1 1 A 16 16 ALA C C 16 180.500 179.361 1.139 1 1 115 . 10 1 1 A 16 16 ALA CA C 16 54.500 54.893 -0.393 1 1 116 . 10 1 1 A 16 16 ALA CB C 16 18.600 18.262 0.338 1 1 117 . 10 1 1 A 16 16 ALA N N 16 121.600 119.722 1.878 1 1 118 . 10 1 1 A 17 17 ALA H H 17 7.600 8.202 -0.602 1 1 119 . 10 1 1 A 17 17 ALA HA H 17 3.990 3.964 0.026 1 1 123 . 10 1 1 A 17 17 ALA C C 17 177.200 180.296 -3.096 1 1 124 . 10 1 1 A 17 17 ALA CA C 17 55.400 55.366 0.034 1 1 125 . 10 1 1 A 17 17 ALA CB C 17 18.700 18.188 0.512 1 1 126 . 10 1 1 A 17 17 ALA N N 17 120.600 120.359 0.241 1 1 127 . 10 1 1 A 18 18 GLU H H 18 8.450 7.949 0.501 1 1 128 . 10 1 1 A 18 18 GLU HA H 18 3.790 4.005 -0.215 1 1 132 . 10 1 1 A 18 18 GLU C C 18 178.800 178.843 -0.043 1 1 133 . 10 1 1 A 18 18 GLU CA C 18 59.200 59.049 0.151 1 1 134 . 10 1 1 A 18 18 GLU CB C 18 29.500 29.282 0.218 1 1 135 . 10 1 1 A 18 18 GLU N N 18 117.100 117.795 -0.695 1 1 136 . 10 1 1 A 19 19 SER H H 19 7.920 7.509 0.411 1 1 137 . 10 1 1 A 19 19 SER HA H 19 4.150 4.174 -0.024 1 1 139 . 10 1 1 A 19 19 SER C C 19 176.800 176.561 0.239 1 1 140 . 10 1 1 A 19 19 SER CA C 19 61.300 61.521 -0.221 1 1 141 . 10 1 1 A 19 19 SER CB C 19 62.400 63.206 -0.806 1 1 142 . 10 1 1 A 19 19 SER N N 19 112.800 115.831 -3.031 1 1 143 . 10 1 1 A 20 20 LEU H H 20 7.460 7.572 -0.112 1 1 144 . 10 1 1 A 20 20 LEU HA H 20 4.020 3.888 0.132 1 1 153 . 10 1 1 A 20 20 LEU C C 20 179.200 178.951 0.249 1 1 154 . 10 1 1 A 20 20 LEU CA C 20 58.400 57.903 0.497 1 1 155 . 10 1 1 A 20 20 LEU CB C 20 41.600 41.102 0.498 1 1 156 . 10 1 1 A 20 20 LEU N N 20 123.000 119.136 3.864 1 1 157 . 10 1 1 A 21 21 VAL H H 21 7.980 7.740 0.240 1 1 158 . 10 1 1 A 21 21 VAL HA H 21 3.090 3.446 -0.356 1 1 166 . 10 1 1 A 21 21 VAL C C 21 177.600 178.138 -0.538 1 1 167 . 10 1 1 A 21 21 VAL CA C 21 66.800 66.565 0.235 1 1 168 . 10 1 1 A 21 21 VAL CB C 21 31.600 31.613 -0.013 1 1 169 . 10 1 1 A 21 21 VAL N N 21 119.500 119.596 -0.096 1 1 170 . 10 1 1 A 22 22 GLU H H 22 8.180 8.980 -0.800 1 1 171 . 10 1 1 A 22 22 GLU HA H 22 4.040 3.980 0.060 1 1 174 . 10 1 1 A 22 22 GLU C C 22 178.700 178.553 0.147 1 1 175 . 10 1 1 A 22 22 GLU CA C 22 58.000 59.629 -1.629 1 1 176 . 10 1 1 A 22 22 GLU CB C 22 29.500 29.500 0.000 1 1 177 . 10 1 1 A 22 22 GLU N N 22 114.800 120.357 -5.557 1 1 178 . 10 1 1 A 23 23 SER H H 23 7.570 7.632 -0.062 1 1 179 . 10 1 1 A 23 23 SER HA H 23 4.360 4.375 -0.015 1 1 182 . 10 1 1 A 23 23 SER C C 23 173.700 174.653 -0.953 1 1 183 . 10 1 1 A 23 23 SER CA C 23 59.800 60.028 -0.228 1 1 184 . 10 1 1 A 23 23 SER CB C 23 64.000 63.096 0.904 1 1 185 . 10 1 1 A 23 23 SER N N 23 112.500 113.992 -1.492 1 1 186 . 10 1 1 A 24 24 SER H H 24 7.080 8.521 -1.441 1 1 187 . 10 1 1 A 24 24 SER HA H 24 4.800 4.610 0.190 1 1 190 . 10 1 1 A 24 24 SER C C 24 172.800 174.232 -1.432 1 1 191 . 10 1 1 A 24 24 SER CA C 24 57.200 57.057 0.143 1 1 192 . 10 1 1 A 24 24 SER CB C 24 65.400 65.378 0.022 1 1 193 . 10 1 1 A 24 24 SER N N 24 115.400 114.532 0.868 1 1 194 . 10 1 1 A 25 25 GLU H H 25 8.700 8.691 0.009 1 1 195 . 10 1 1 A 25 25 GLU HA H 25 3.970 4.084 -0.114 1 1 199 . 10 1 1 A 25 25 GLU C C 25 175.700 176.008 -0.308 1 1 200 . 10 1 1 A 25 25 GLU CA C 25 59.900 59.449 0.451 1 1 201 . 10 1 1 A 25 25 GLU CB C 25 30.300 28.972 1.328 1 1 202 . 10 1 1 A 25 25 GLU N N 25 124.500 125.776 -1.276 1 1 203 . 10 1 1 A 26 26 VAL H H 26 7.320 7.993 -0.673 1 1 204 . 10 1 1 A 26 26 VAL HA H 26 5.000 4.731 0.269 1 1 212 . 10 1 1 A 26 26 VAL C C 26 174.300 174.359 -0.059 1 1 213 . 10 1 1 A 26 26 VAL CA C 26 60.500 60.523 -0.023 1 1 214 . 10 1 1 A 26 26 VAL CB C 26 35.700 35.115 0.585 1 1 215 . 10 1 1 A 26 26 VAL N N 26 113.500 116.808 -3.308 1 1 216 . 10 1 1 A 27 27 ALA H H 27 9.130 8.565 0.565 1 1 217 . 10 1 1 A 27 27 ALA HA H 27 4.820 5.104 -0.284 1 1 221 . 10 1 1 A 27 27 ALA C C 27 175.000 176.402 -1.402 1 1 222 . 10 1 1 A 27 27 ALA CA C 27 51.200 50.988 0.212 1 1 223 . 10 1 1 A 27 27 ALA CB C 27 23.000 23.849 -0.849 1 1 224 . 10 1 1 A 27 27 ALA N N 27 127.200 127.667 -0.467 1 1 225 . 10 1 1 A 28 28 VAL H H 28 7.980 8.311 -0.331 1 1 226 . 10 1 1 A 28 28 VAL HA H 28 5.080 4.898 0.182 1 1 234 . 10 1 1 A 28 28 VAL C C 28 174.600 175.054 -0.454 1 1 235 . 10 1 1 A 28 28 VAL CA C 28 60.800 61.535 -0.735 1 1 236 . 10 1 1 A 28 28 VAL CB C 28 34.300 33.907 0.393 1 1 237 . 10 1 1 A 28 28 VAL N N 28 120.100 119.393 0.707 1 1 238 . 10 1 1 A 29 29 ILE H H 29 9.080 9.420 -0.340 1 1 239 . 10 1 1 A 29 29 ILE HA H 29 4.780 5.828 -1.048 1 1 247 . 10 1 1 A 29 29 ILE C C 29 173.300 175.379 -2.079 1 1 248 . 10 1 1 A 29 29 ILE CA C 29 60.000 59.592 0.408 1 1 249 . 10 1 1 A 29 29 ILE CB C 29 40.300 40.900 -0.600 1 1 250 . 10 1 1 A 29 29 ILE N N 29 124.300 127.472 -3.172 1 1 251 . 10 1 1 A 30 30 GLY H H 30 8.610 9.421 -0.811 1 1 252 . 10 1 1 A 30 30 GLY HA2 H 30 1.910 4.367 -2.457 1 1 253 . 10 1 1 A 30 30 GLY HA3 H 30 3.960 4.473 -0.513 1 1 254 . 10 1 1 A 30 30 GLY C C 30 169.300 171.912 -2.612 1 1 255 . 10 1 1 A 30 30 GLY CA C 30 44.500 44.242 0.258 1 1 256 . 10 1 1 A 30 30 GLY N N 30 115.800 114.201 1.599 1 1 257 . 10 1 1 A 31 31 PHE H H 31 8.470 9.200 -0.730 1 1 258 . 10 1 1 A 31 31 PHE HA H 31 4.200 5.517 -1.317 1 1 261 . 10 1 1 A 31 31 PHE C C 31 172.800 175.001 -2.201 1 1 262 . 10 1 1 A 31 31 PHE CA C 31 55.000 56.388 -1.388 1 1 263 . 10 1 1 A 31 31 PHE CB C 31 36.500 40.476 -3.976 1 1 264 . 10 1 1 A 31 31 PHE N N 31 127.800 122.624 5.176 1 1 265 . 10 1 1 A 32 32 PHE H H 32 8.200 8.783 -0.583 1 1 266 . 10 1 1 A 32 32 PHE HA H 32 4.980 5.116 -0.136 1 1 269 . 10 1 1 A 32 32 PHE C C 32 174.400 175.761 -1.361 1 1 270 . 10 1 1 A 32 32 PHE CA C 32 55.700 56.201 -0.501 1 1 271 . 10 1 1 A 32 32 PHE CB C 32 42.900 42.119 0.781 1 1 272 . 10 1 1 A 32 32 PHE N N 32 116.900 121.289 -4.389 1 1 273 . 10 1 1 A 33 33 LYS H H 33 9.420 8.893 0.527 1 1 274 . 10 1 1 A 33 33 LYS HA H 33 4.020 4.597 -0.577 1 1 279 . 10 1 1 A 33 33 LYS C C 33 176.700 176.740 -0.040 1 1 280 . 10 1 1 A 33 33 LYS CA C 33 58.900 58.133 0.767 1 1 281 . 10 1 1 A 33 33 LYS CB C 33 31.900 33.253 -1.353 1 1 282 . 10 1 1 A 33 33 LYS N N 33 124.700 122.950 1.750 1 1 283 . 10 1 1 A 34 34 ASP H H 34 8.920 7.972 0.948 1 1 284 . 10 1 1 A 34 34 ASP HA H 34 5.020 4.982 0.038 1 1 287 . 10 1 1 A 34 34 ASP C C 34 177.800 176.191 1.609 1 1 288 . 10 1 1 A 34 34 ASP CA C 34 51.700 52.682 -0.982 1 1 289 . 10 1 1 A 34 34 ASP CB C 34 41.800 40.907 0.893 1 1 290 . 10 1 1 A 34 34 ASP N N 34 117.300 118.679 -1.379 1 1 291 . 10 1 1 A 35 35 VAL H H 35 8.560 8.396 0.164 1 1 292 . 10 1 1 A 35 35 VAL HA H 35 3.790 3.796 -0.006 1 1 300 . 10 1 1 A 35 35 VAL C C 35 174.500 176.933 -2.433 1 1 301 . 10 1 1 A 35 35 VAL CA C 35 63.900 64.579 -0.679 1 1 302 . 10 1 1 A 35 35 VAL CB C 35 30.500 31.690 -1.190 1 1 303 . 10 1 1 A 35 35 VAL N N 35 120.700 124.070 -3.370 1 1 304 . 10 1 1 A 36 36 GLU H H 36 8.250 8.155 0.095 1 1 305 . 10 1 1 A 36 36 GLU HA H 36 4.390 4.230 0.160 1 1 309 . 10 1 1 A 36 36 GLU C C 36 176.600 176.333 0.267 1 1 310 . 10 1 1 A 36 36 GLU CA C 36 54.800 58.652 -3.852 1 1 311 . 10 1 1 A 36 36 GLU CB C 36 29.200 29.624 -0.424 1 1 312 . 10 1 1 A 36 36 GLU N N 36 117.200 121.443 -4.243 1 1 313 . 10 1 1 A 37 37 SER H H 37 7.560 7.847 -0.287 1 1 314 . 10 1 1 A 37 37 SER HA H 37 4.300 4.417 -0.117 1 1 317 . 10 1 1 A 37 37 SER C C 37 174.000 174.939 -0.939 1 1 318 . 10 1 1 A 37 37 SER CA C 37 58.100 57.794 0.306 1 1 319 . 10 1 1 A 37 37 SER CB C 37 65.400 64.185 1.215 1 1 320 . 10 1 1 A 37 37 SER N N 37 116.100 113.435 2.665 1 1 321 . 10 1 1 A 38 38 ASP H H 38 8.920 8.922 -0.002 1 1 322 . 10 1 1 A 38 38 ASP HA H 38 4.290 4.232 0.058 1 1 324 . 10 1 1 A 38 38 ASP C C 38 179.200 178.488 0.712 1 1 325 . 10 1 1 A 38 38 ASP CA C 38 58.100 57.193 0.907 1 1 326 . 10 1 1 A 38 38 ASP CB C 38 40.100 40.146 -0.046 1 1 327 . 10 1 1 A 38 38 ASP N N 38 121.400 122.946 -1.546 1 1 328 . 10 1 1 A 39 39 SER H H 39 8.500 8.095 0.405 1 1 329 . 10 1 1 A 39 39 SER HA H 39 4.050 4.110 -0.060 1 1 331 . 10 1 1 A 39 39 SER C C 39 174.500 176.267 -1.767 1 1 332 . 10 1 1 A 39 39 SER CA C 39 61.500 61.722 -0.222 1 1 333 . 10 1 1 A 39 39 SER CB C 39 62.400 63.014 -0.614 1 1 334 . 10 1 1 A 39 39 SER N N 39 114.200 117.432 -3.232 1 1 335 . 10 1 1 A 40 40 ALA H H 40 6.970 7.594 -0.624 1 1 336 . 10 1 1 A 40 40 ALA HA H 40 2.380 3.046 -0.666 1 1 340 . 10 1 1 A 40 40 ALA C C 40 179.600 179.962 -0.362 1 1 341 . 10 1 1 A 40 40 ALA CA C 40 54.500 54.843 -0.343 1 1 342 . 10 1 1 A 40 40 ALA CB C 40 18.600 17.971 0.629 1 1 343 . 10 1 1 A 40 40 ALA N N 40 125.700 123.099 2.601 1 1 344 . 10 1 1 A 41 41 LYS H H 41 8.040 7.512 0.528 1 1 345 . 10 1 1 A 41 41 LYS HA H 41 3.830 3.867 -0.037 1 1 350 . 10 1 1 A 41 41 LYS C C 41 180.500 179.581 0.919 1 1 351 . 10 1 1 A 41 41 LYS CA C 41 60.000 59.390 0.610 1 1 352 . 10 1 1 A 41 41 LYS CB C 41 31.900 32.214 -0.314 1 1 353 . 10 1 1 A 41 41 LYS N N 41 115.800 117.225 -1.425 1 1 354 . 10 1 1 A 42 42 GLN H H 42 7.870 7.853 0.017 1 1 355 . 10 1 1 A 42 42 GLN HA H 42 3.780 4.007 -0.227 1 1 359 . 10 1 1 A 42 42 GLN C C 42 177.800 178.617 -0.817 1 1 360 . 10 1 1 A 42 42 GLN CA C 42 58.600 58.965 -0.365 1 1 361 . 10 1 1 A 42 42 GLN CB C 42 28.600 28.289 0.311 1 1 362 . 10 1 1 A 42 42 GLN N N 42 119.100 119.182 -0.082 1 1 363 . 10 1 1 A 43 43 PHE H H 43 7.710 7.985 -0.275 1 1 364 . 10 1 1 A 43 43 PHE HA H 43 3.850 3.998 -0.148 1 1 367 . 10 1 1 A 43 43 PHE C C 43 176.200 177.217 -1.017 1 1 368 . 10 1 1 A 43 43 PHE CA C 43 61.300 60.949 0.351 1 1 369 . 10 1 1 A 43 43 PHE CB C 43 39.000 39.223 -0.223 1 1 370 . 10 1 1 A 43 43 PHE N N 43 120.000 120.707 -0.707 1 1 371 . 10 1 1 A 44 44 LEU H H 44 8.360 7.909 0.451 1 1 372 . 10 1 1 A 44 44 LEU HA H 44 3.580 3.720 -0.140 1 1 378 . 10 1 1 A 44 44 LEU C C 44 179.400 178.379 1.021 1 1 379 . 10 1 1 A 44 44 LEU CA C 44 57.400 57.915 -0.515 1 1 380 . 10 1 1 A 44 44 LEU CB C 44 40.900 41.461 -0.561 1 1 381 . 10 1 1 A 44 44 LEU N N 44 119.500 120.363 -0.863 1 1 382 . 10 1 1 A 45 45 GLN H H 45 7.660 8.218 -0.558 1 1 383 . 10 1 1 A 45 45 GLN HA H 45 3.900 3.985 -0.085 1 1 388 . 10 1 1 A 45 45 GLN C C 45 179.300 178.428 0.872 1 1 389 . 10 1 1 A 45 45 GLN CA C 45 58.700 58.871 -0.171 1 1 390 . 10 1 1 A 45 45 GLN CB C 45 28.700 28.257 0.443 1 1 391 . 10 1 1 A 45 45 GLN N N 45 117.700 118.015 -0.315 1 1 392 . 10 1 1 A 46 46 ALA H H 46 7.630 7.680 -0.050 1 1 393 . 10 1 1 A 46 46 ALA HA H 46 3.740 4.022 -0.282 1 1 397 . 10 1 1 A 46 46 ALA C C 46 177.100 179.173 -2.073 1 1 398 . 10 1 1 A 46 46 ALA CA C 46 55.300 54.837 0.463 1 1 399 . 10 1 1 A 46 46 ALA CB C 46 17.500 18.330 -0.830 1 1 400 . 10 1 1 A 46 46 ALA N N 46 123.700 121.947 1.753 1 1 401 . 10 1 1 A 47 47 ALA H H 47 7.330 7.530 -0.200 1 1 402 . 10 1 1 A 47 47 ALA HA H 47 1.790 2.401 -0.611 1 1 406 . 10 1 1 A 47 47 ALA C C 47 178.600 179.251 -0.651 1 1 407 . 10 1 1 A 47 47 ALA CA C 47 53.200 54.398 -1.198 1 1 408 . 10 1 1 A 47 47 ALA CB C 47 17.700 17.553 0.147 1 1 409 . 10 1 1 A 47 47 ALA N N 47 118.100 119.186 -1.086 1 1 410 . 10 1 1 A 48 48 GLU H H 48 7.020 7.367 -0.347 1 1 411 . 10 1 1 A 48 48 GLU HA H 48 3.840 4.002 -0.162 1 1 415 . 10 1 1 A 48 48 GLU C C 48 177.100 178.776 -1.676 1 1 416 . 10 1 1 A 48 48 GLU CA C 48 57.300 58.924 -1.624 1 1 417 . 10 1 1 A 48 48 GLU CB C 48 29.900 29.503 0.397 1 1 418 . 10 1 1 A 48 48 GLU N N 48 112.900 118.220 -5.320 1 1 419 . 10 1 1 A 49 49 ALA H H 49 7.250 7.622 -0.372 1 1 420 . 10 1 1 A 49 49 ALA HA H 49 4.250 4.107 0.143 1 1 424 . 10 1 1 A 49 49 ALA C C 49 176.900 177.506 -0.606 1 1 425 . 10 1 1 A 49 49 ALA CA C 49 52.600 54.313 -1.713 1 1 426 . 10 1 1 A 49 49 ALA CB C 49 20.100 18.641 1.459 1 1 427 . 10 1 1 A 49 49 ALA N N 49 119.800 121.221 -1.421 1 1 428 . 10 1 1 A 50 50 ILE H H 50 7.030 7.103 -0.073 1 1 429 . 10 1 1 A 50 50 ILE HA H 50 4.370 4.604 -0.234 1 1 439 . 10 1 1 A 50 50 ILE C C 50 174.300 175.726 -1.426 1 1 440 . 10 1 1 A 50 50 ILE CA C 50 59.700 59.397 0.303 1 1 441 . 10 1 1 A 50 50 ILE CB C 50 39.400 40.871 -1.471 1 1 442 . 10 1 1 A 50 50 ILE N N 50 119.300 114.444 4.856 1 1 443 . 10 1 1 A 51 51 ASP H H 51 8.390 8.926 -0.536 1 1 444 . 10 1 1 A 51 51 ASP HA H 51 4.830 5.115 -0.285 1 1 446 . 10 1 1 A 51 51 ASP C C 51 177.500 176.285 1.215 1 1 447 . 10 1 1 A 51 51 ASP CA C 51 54.300 53.696 0.604 1 1 448 . 10 1 1 A 51 51 ASP CB C 51 42.200 41.116 1.084 1 1 449 . 10 1 1 A 51 51 ASP N N 51 123.200 123.633 -0.433 1 1 450 . 10 1 1 A 52 52 ASP H H 52 8.530 8.188 0.342 1 1 451 . 10 1 1 A 52 52 ASP HA H 52 4.570 4.474 0.096 1 1 454 . 10 1 1 A 52 52 ASP C C 52 175.000 176.300 -1.300 1 1 455 . 10 1 1 A 52 52 ASP CA C 52 54.600 57.034 -2.434 1 1 456 . 10 1 1 A 52 52 ASP CB C 52 40.200 41.352 -1.152 1 1 457 . 10 1 1 A 52 52 ASP N N 52 116.000 119.410 -3.410 1 1 458 . 10 1 1 A 53 53 ILE H H 53 7.150 7.639 -0.489 1 1 459 . 10 1 1 A 53 53 ILE HA H 53 4.570 4.422 0.148 1 1 469 . 10 1 1 A 53 53 ILE CA C 53 57.700 57.289 0.411 1 1 470 . 10 1 1 A 53 53 ILE CB C 53 42.000 40.361 1.639 1 1 471 . 10 1 1 A 53 53 ILE N N 53 119.300 117.943 1.357 1 1 472 . 10 1 1 A 54 54 PRO C C 54 175.100 175.227 -0.127 1 1 473 . 10 1 1 A 54 54 PRO CA C 54 62.700 62.901 -0.201 1 1 474 . 10 1 1 A 54 54 PRO CB C 54 32.500 32.047 0.453 1 1 475 . 10 1 1 A 55 55 PHE H H 55 8.780 8.273 0.507 1 1 476 . 10 1 1 A 55 55 PHE HA H 55 5.840 5.808 0.032 1 1 479 . 10 1 1 A 55 55 PHE C C 55 176.900 175.155 1.745 1 1 480 . 10 1 1 A 55 55 PHE CA C 55 55.600 55.986 -0.386 1 1 481 . 10 1 1 A 55 55 PHE CB C 55 42.000 41.878 0.122 1 1 482 . 10 1 1 A 55 55 PHE N N 55 119.900 122.159 -2.259 1 1 483 . 10 1 1 A 56 56 GLY H H 56 9.510 9.454 0.056 1 1 484 . 10 1 1 A 56 56 GLY HA2 H 56 3.350 4.210 -0.860 1 1 485 . 10 1 1 A 56 56 GLY HA3 H 56 5.620 4.274 1.346 1 1 486 . 10 1 1 A 56 56 GLY C C 56 170.800 172.545 -1.745 1 1 487 . 10 1 1 A 56 56 GLY CA C 56 43.400 43.739 -0.339 1 1 488 . 10 1 1 A 56 56 GLY N N 56 109.000 109.255 -0.255 1 1 489 . 10 1 1 A 57 57 ILE H H 57 8.930 8.474 0.456 1 1 490 . 10 1 1 A 57 57 ILE HA H 57 5.570 5.359 0.211 1 1 499 . 10 1 1 A 57 57 ILE C C 57 172.000 174.320 -2.320 1 1 500 . 10 1 1 A 57 57 ILE CA C 57 58.400 59.662 -1.262 1 1 501 . 10 1 1 A 57 57 ILE CB C 57 42.900 42.343 0.557 1 1 502 . 10 1 1 A 57 57 ILE N N 57 120.800 120.670 0.130 1 1 503 . 10 1 1 A 58 58 THR H H 58 8.660 8.451 0.209 1 1 504 . 10 1 1 A 58 58 THR HA H 58 4.960 4.978 -0.018 1 1 509 . 10 1 1 A 58 58 THR C C 58 170.000 172.587 -2.587 1 1 510 . 10 1 1 A 58 58 THR CA C 58 60.100 60.175 -0.075 1 1 511 . 10 1 1 A 58 58 THR CB C 58 72.100 70.545 1.555 1 1 512 . 10 1 1 A 58 58 THR N N 58 121.200 118.123 3.077 1 1 513 . 10 1 1 A 59 59 SER H H 59 8.710 8.659 0.051 1 1 514 . 10 1 1 A 59 59 SER HA H 59 5.200 5.203 -0.003 1 1 517 . 10 1 1 A 59 59 SER C C 59 173.900 174.319 -0.419 1 1 518 . 10 1 1 A 59 59 SER CA C 59 56.700 57.764 -1.064 1 1 519 . 10 1 1 A 59 59 SER CB C 59 65.700 65.370 0.330 1 1 520 . 10 1 1 A 59 59 SER N N 59 119.900 122.153 -2.253 1 1 521 . 10 1 1 A 60 60 ASN H H 60 8.030 7.742 0.288 1 1 522 . 10 1 1 A 60 60 ASN HA H 60 4.790 4.846 -0.056 1 1 524 . 10 1 1 A 60 60 ASN CA C 60 53.200 53.419 -0.219 1 1 525 . 10 1 1 A 60 60 ASN CB C 60 39.500 39.512 -0.012 1 1 526 . 10 1 1 A 60 60 ASN N N 60 122.200 120.878 1.322 1 1 528 . 10 1 1 A 61 61 SER C C 61 175.900 176.251 -0.351 1 1 529 . 10 1 1 A 61 61 SER CA C 61 62.500 61.838 0.662 1 1 530 . 10 1 1 A 61 61 SER CB C 61 62.500 62.486 0.014 1 1 531 . 10 1 1 A 62 62 ASP H H 62 8.630 8.285 0.345 1 1 532 . 10 1 1 A 62 62 ASP HA H 62 4.530 4.440 0.090 1 1 535 . 10 1 1 A 62 62 ASP C C 62 179.000 179.177 -0.177 1 1 536 . 10 1 1 A 62 62 ASP CA C 62 57.400 57.517 -0.117 1 1 537 . 10 1 1 A 62 62 ASP CB C 62 40.000 40.272 -0.272 1 1 538 . 10 1 1 A 62 62 ASP N N 62 122.200 122.999 -0.799 1 1 539 . 10 1 1 A 63 63 VAL H H 63 8.030 7.978 0.052 1 1 540 . 10 1 1 A 63 63 VAL HA H 63 3.750 3.703 0.047 1 1 548 . 10 1 1 A 63 63 VAL C C 63 177.900 178.365 -0.465 1 1 549 . 10 1 1 A 63 63 VAL CA C 63 65.800 66.645 -0.845 1 1 550 . 10 1 1 A 63 63 VAL CB C 63 30.700 31.798 -1.098 1 1 551 . 10 1 1 A 63 63 VAL N N 63 122.400 120.386 2.014 1 1 552 . 10 1 1 A 64 64 PHE H H 64 7.980 8.507 -0.527 1 1 553 . 10 1 1 A 64 64 PHE HA H 64 4.200 4.497 -0.297 1 1 556 . 10 1 1 A 64 64 PHE C C 64 178.800 178.474 0.326 1 1 557 . 10 1 1 A 64 64 PHE CA C 64 61.700 60.497 1.203 1 1 558 . 10 1 1 A 64 64 PHE CB C 64 37.500 38.647 -1.147 1 1 559 . 10 1 1 A 64 64 PHE N N 64 120.100 119.569 0.531 1 1 560 . 10 1 1 A 65 65 SER H H 65 8.090 8.347 -0.257 1 1 561 . 10 1 1 A 65 65 SER HA H 65 4.210 4.146 0.064 1 1 563 . 10 1 1 A 65 65 SER C C 65 177.800 177.559 0.241 1 1 564 . 10 1 1 A 65 65 SER CA C 65 61.600 61.795 -0.195 1 1 565 . 10 1 1 A 65 65 SER CB C 65 62.300 62.919 -0.619 1 1 566 . 10 1 1 A 65 65 SER N N 65 112.100 114.979 -2.879 1 1 567 . 10 1 1 A 66 66 LYS H H 66 7.650 7.955 -0.305 1 1 568 . 10 1 1 A 66 66 LYS HA H 66 3.870 4.212 -0.342 1 1 572 . 10 1 1 A 66 66 LYS C C 66 176.700 177.847 -1.147 1 1 573 . 10 1 1 A 66 66 LYS CA C 66 58.900 59.218 -0.318 1 1 574 . 10 1 1 A 66 66 LYS CB C 66 32.700 32.194 0.506 1 1 575 . 10 1 1 A 66 66 LYS N N 66 124.100 121.531 2.569 1 1 576 . 10 1 1 A 67 67 TYR H H 67 7.040 7.573 -0.533 1 1 577 . 10 1 1 A 67 67 TYR HA H 67 4.640 4.563 0.077 1 1 580 . 10 1 1 A 67 67 TYR C C 67 173.600 174.701 -1.101 1 1 581 . 10 1 1 A 67 67 TYR CA C 67 58.400 58.634 -0.234 1 1 582 . 10 1 1 A 67 67 TYR CB C 67 37.700 38.882 -1.182 1 1 583 . 10 1 1 A 67 67 TYR N N 67 113.800 117.416 -3.616 1 1 584 . 10 1 1 A 68 68 GLN H H 68 7.850 7.981 -0.131 1 1 585 . 10 1 1 A 68 68 GLN HA H 68 3.830 3.847 -0.017 1 1 588 . 10 1 1 A 68 68 GLN C C 68 174.700 174.065 0.635 1 1 589 . 10 1 1 A 68 68 GLN CA C 68 57.400 56.981 0.419 1 1 590 . 10 1 1 A 68 68 GLN CB C 68 25.000 26.453 -1.453 1 1 591 . 10 1 1 A 68 68 GLN N N 68 113.700 117.428 -3.728 1 1 592 . 10 1 1 A 69 69 LEU H H 69 8.070 8.649 -0.579 1 1 593 . 10 1 1 A 69 69 LEU HA H 69 4.530 4.814 -0.284 1 1 602 . 10 1 1 A 69 69 LEU C C 69 176.800 175.709 1.091 1 1 603 . 10 1 1 A 69 69 LEU CA C 69 54.900 53.751 1.149 1 1 604 . 10 1 1 A 69 69 LEU CB C 69 43.200 43.931 -0.731 1 1 605 . 10 1 1 A 69 69 LEU N N 69 120.800 119.244 1.556 1 1 606 . 10 1 1 A 70 70 ASP H H 70 8.580 9.173 -0.593 1 1 607 . 10 1 1 A 70 70 ASP HA H 70 4.650 4.787 -0.137 1 1 610 . 10 1 1 A 70 70 ASP C C 70 174.800 175.297 -0.497 1 1 611 . 10 1 1 A 70 70 ASP CA C 70 53.200 55.226 -2.026 1 1 612 . 10 1 1 A 70 70 ASP CB C 70 41.600 43.610 -2.010 1 1 613 . 10 1 1 A 70 70 ASP N N 70 120.400 124.044 -3.644 1 1 614 . 10 1 1 A 71 71 LYS H H 71 7.720 7.882 -0.162 1 1 615 . 10 1 1 A 71 71 LYS HA H 71 4.550 4.680 -0.130 1 1 619 . 10 1 1 A 71 71 LYS C C 71 173.100 175.898 -2.798 1 1 620 . 10 1 1 A 71 71 LYS CA C 71 54.300 54.292 0.008 1 1 621 . 10 1 1 A 71 71 LYS CB C 71 34.100 34.249 -0.149 1 1 622 . 10 1 1 A 71 71 LYS N N 71 117.300 117.258 0.042 1 1 623 . 10 1 1 A 72 72 ASP H H 72 7.780 8.637 -0.857 1 1 624 . 10 1 1 A 72 72 ASP HA H 72 4.650 4.737 -0.087 1 1 627 . 10 1 1 A 72 72 ASP C C 72 177.600 175.710 1.890 1 1 628 . 10 1 1 A 72 72 ASP CA C 72 54.500 53.918 0.582 1 1 629 . 10 1 1 A 72 72 ASP CB C 72 41.500 41.918 -0.418 1 1 630 . 10 1 1 A 72 72 ASP N N 72 116.900 121.271 -4.371 1 1 631 . 10 1 1 A 73 73 GLY H H 73 8.660 8.514 0.146 1 1 632 . 10 1 1 A 73 73 GLY HA2 H 73 3.890 3.977 -0.087 1 1 633 . 10 1 1 A 73 73 GLY C C 73 169.700 172.240 -2.540 1 1 634 . 10 1 1 A 73 73 GLY CA C 73 45.500 44.706 0.794 1 1 635 . 10 1 1 A 73 73 GLY N N 73 107.400 106.679 0.721 1 1 636 . 10 1 1 A 74 74 VAL H H 74 8.490 8.191 0.299 1 1 637 . 10 1 1 A 74 74 VAL HA H 74 4.840 5.048 -0.208 1 1 642 . 10 1 1 A 74 74 VAL C C 74 173.500 174.631 -1.131 1 1 643 . 10 1 1 A 74 74 VAL CA C 74 61.300 60.628 0.672 1 1 644 . 10 1 1 A 74 74 VAL CB C 74 35.500 33.834 1.666 1 1 645 . 10 1 1 A 74 74 VAL N N 74 117.900 121.448 -3.548 1 1 646 . 10 1 1 A 75 75 VAL H H 75 8.930 9.570 -0.640 1 1 647 . 10 1 1 A 75 75 VAL HA H 75 4.580 5.194 -0.614 1 1 655 . 10 1 1 A 75 75 VAL C C 75 172.700 173.981 -1.281 1 1 656 . 10 1 1 A 75 75 VAL CA C 75 61.100 60.017 1.083 1 1 657 . 10 1 1 A 75 75 VAL CB C 75 35.600 35.877 -0.277 1 1 658 . 10 1 1 A 75 75 VAL N N 75 126.900 125.318 1.582 1 1 659 . 10 1 1 A 76 76 LEU H H 76 8.690 8.864 -0.174 1 1 660 . 10 1 1 A 76 76 LEU HA H 76 4.980 5.278 -0.298 1 1 666 . 10 1 1 A 76 76 LEU C C 76 173.400 176.069 -2.669 1 1 667 . 10 1 1 A 76 76 LEU CA C 76 54.200 54.132 0.068 1 1 668 . 10 1 1 A 76 76 LEU CB C 76 46.000 43.638 2.362 1 1 669 . 10 1 1 A 76 76 LEU N N 76 128.000 128.988 -0.988 1 1 670 . 10 1 1 A 77 77 PHE H H 77 9.600 9.698 -0.098 1 1 671 . 10 1 1 A 77 77 PHE HA H 77 4.930 5.575 -0.645 1 1 674 . 10 1 1 A 77 77 PHE C C 77 173.800 175.302 -1.502 1 1 675 . 10 1 1 A 77 77 PHE CA C 77 56.800 56.868 -0.068 1 1 676 . 10 1 1 A 77 77 PHE CB C 77 42.100 40.832 1.268 1 1 677 . 10 1 1 A 77 77 PHE N N 77 126.500 124.329 2.171 1 1 678 . 10 1 1 A 78 78 LYS H H 78 8.410 8.523 -0.113 1 1 679 . 10 1 1 A 78 78 LYS HA H 78 5.410 4.866 0.544 1 1 684 . 10 1 1 A 78 78 LYS C C 78 176.600 176.585 0.015 1 1 685 . 10 1 1 A 78 78 LYS CA C 78 53.500 54.437 -0.937 1 1 686 . 10 1 1 A 78 78 LYS CB C 78 34.600 35.663 -1.063 1 1 687 . 10 1 1 A 78 78 LYS N N 78 115.800 121.989 -6.189 1 1 688 . 10 1 1 A 79 79 LYS H H 79 8.010 8.690 -0.680 1 1 689 . 10 1 1 A 79 79 LYS HA H 79 4.370 3.984 0.386 1 1 693 . 10 1 1 A 79 79 LYS C C 79 175.000 176.102 -1.102 1 1 694 . 10 1 1 A 79 79 LYS CA C 79 56.000 59.197 -3.197 1 1 695 . 10 1 1 A 79 79 LYS CB C 79 31.900 32.776 -0.876 1 1 696 . 10 1 1 A 79 79 LYS N N 79 121.400 124.204 -2.804 1 1 697 . 10 1 1 A 80 80 PHE H H 80 6.620 7.485 -0.865 1 1 698 . 10 1 1 A 80 80 PHE HA H 80 4.880 5.031 -0.151 1 1 700 . 10 1 1 A 80 80 PHE C C 80 174.000 174.807 -0.807 1 1 701 . 10 1 1 A 80 80 PHE CA C 80 54.400 55.488 -1.088 1 1 702 . 10 1 1 A 80 80 PHE CB C 80 40.400 41.071 -0.671 1 1 703 . 10 1 1 A 80 80 PHE N N 80 113.500 113.436 0.064 1 1 704 . 10 1 1 A 81 81 ASP H H 81 8.980 9.095 -0.115 1 1 705 . 10 1 1 A 81 81 ASP HA H 81 4.270 4.543 -0.273 1 1 708 . 10 1 1 A 81 81 ASP C C 81 176.600 176.633 -0.033 1 1 709 . 10 1 1 A 81 81 ASP CA C 81 56.000 56.129 -0.129 1 1 710 . 10 1 1 A 81 81 ASP CB C 81 40.200 40.531 -0.331 1 1 711 . 10 1 1 A 81 81 ASP N N 81 117.700 118.844 -1.144 1 1 712 . 10 1 1 A 82 82 GLU H H 82 10.320 8.969 1.351 1 1 713 . 10 1 1 A 82 82 GLU HA H 82 4.340 4.224 0.116 1 1 716 . 10 1 1 A 82 82 GLU C C 82 178.700 176.984 1.716 1 1 717 . 10 1 1 A 82 82 GLU CA C 82 58.200 56.592 1.608 1 1 718 . 10 1 1 A 82 82 GLU CB C 82 28.600 30.225 -1.625 1 1 719 . 10 1 1 A 82 82 GLU N N 82 123.900 125.324 -1.424 1 1 720 . 10 1 1 A 83 83 GLY H H 83 7.780 9.139 -1.359 1 1 721 . 10 1 1 A 83 83 GLY HA2 H 83 4.150 3.940 0.210 1 1 722 . 10 1 1 A 83 83 GLY HA3 H 83 4.290 3.961 0.329 1 1 723 . 10 1 1 A 83 83 GLY C C 83 174.400 173.402 0.998 1 1 724 . 10 1 1 A 83 83 GLY CA C 83 46.600 45.682 0.918 1 1 725 . 10 1 1 A 83 83 GLY N N 83 109.200 109.701 -0.501 1 1 726 . 10 1 1 A 84 84 ARG H H 84 7.200 7.571 -0.371 1 1 727 . 10 1 1 A 84 84 ARG HA H 84 5.210 5.300 -0.090 1 1 731 . 10 1 1 A 84 84 ARG C C 84 174.000 174.172 -0.172 1 1 732 . 10 1 1 A 84 84 ARG CA C 84 55.000 54.413 0.587 1 1 733 . 10 1 1 A 84 84 ARG CB C 84 32.500 33.169 -0.669 1 1 734 . 10 1 1 A 84 84 ARG N N 84 121.000 115.995 5.005 1 1 735 . 10 1 1 A 85 85 ASN H H 85 9.270 8.844 0.426 1 1 736 . 10 1 1 A 85 85 ASN HA H 85 5.000 5.127 -0.127 1 1 739 . 10 1 1 A 85 85 ASN C C 85 172.900 174.059 -1.159 1 1 740 . 10 1 1 A 85 85 ASN CA C 85 53.800 52.224 1.576 1 1 741 . 10 1 1 A 85 85 ASN CB C 85 43.600 40.465 3.135 1 1 742 . 10 1 1 A 85 85 ASN N N 85 121.600 121.145 0.455 1 1 743 . 10 1 1 A 86 86 ASN H H 86 9.150 8.855 0.295 1 1 744 . 10 1 1 A 86 86 ASN HA H 86 5.000 4.914 0.086 1 1 746 . 10 1 1 A 86 86 ASN C C 86 174.400 175.374 -0.974 1 1 747 . 10 1 1 A 86 86 ASN CA C 86 52.400 53.150 -0.750 1 1 748 . 10 1 1 A 86 86 ASN CB C 86 38.600 39.139 -0.539 1 1 749 . 10 1 1 A 86 86 ASN N N 86 123.200 126.554 -3.354 1 1 750 . 10 1 1 A 87 87 PHE H H 87 8.380 9.742 -1.362 1 1 751 . 10 1 1 A 87 87 PHE HA H 87 3.460 4.886 -1.426 1 1 754 . 10 1 1 A 87 87 PHE C C 87 174.600 176.907 -2.307 1 1 755 . 10 1 1 A 87 87 PHE CA C 87 59.000 59.029 -0.029 1 1 756 . 10 1 1 A 87 87 PHE CB C 87 39.000 40.102 -1.102 1 1 757 . 10 1 1 A 87 87 PHE N N 87 124.900 126.827 -1.927 1 1 758 . 10 1 1 A 88 88 GLU H H 88 7.450 8.353 -0.903 1 1 759 . 10 1 1 A 88 88 GLU HA H 88 4.270 3.986 0.284 1 1 763 . 10 1 1 A 88 88 GLU C C 88 173.900 177.587 -3.687 1 1 764 . 10 1 1 A 88 88 GLU CA C 88 54.800 59.513 -4.713 1 1 765 . 10 1 1 A 88 88 GLU CB C 88 31.700 29.462 2.238 1 1 766 . 10 1 1 A 88 88 GLU N N 88 128.600 126.068 2.532 1 1 767 . 10 1 1 A 89 89 GLY H H 89 7.050 7.870 -0.820 1 1 768 . 10 1 1 A 89 89 GLY HA2 H 89 3.700 4.048 -0.348 1 1 769 . 10 1 1 A 89 89 GLY HA3 H 89 3.840 4.054 -0.214 1 1 770 . 10 1 1 A 89 89 GLY C C 89 172.600 174.546 -1.946 1 1 771 . 10 1 1 A 89 89 GLY CA C 89 43.400 45.599 -2.199 1 1 772 . 10 1 1 A 89 89 GLY N N 89 108.600 105.330 3.270 1 1 773 . 10 1 1 A 90 90 GLU H H 90 8.450 8.116 0.334 1 1 774 . 10 1 1 A 90 90 GLU HA H 90 4.290 4.297 -0.007 1 1 778 . 10 1 1 A 90 90 GLU C C 90 177.400 175.844 1.556 1 1 779 . 10 1 1 A 90 90 GLU CA C 90 56.200 56.926 -0.726 1 1 780 . 10 1 1 A 90 90 GLU CB C 90 29.900 30.591 -0.691 1 1 781 . 10 1 1 A 90 90 GLU N N 90 120.400 121.812 -1.412 1 1 782 . 10 1 1 A 91 91 VAL H H 91 9.140 8.532 0.608 1 1 783 . 10 1 1 A 91 91 VAL HA H 91 3.730 4.382 -0.652 1 1 791 . 10 1 1 A 91 91 VAL C C 91 173.600 175.173 -1.573 1 1 792 . 10 1 1 A 91 91 VAL CA C 91 64.400 61.272 3.128 1 1 793 . 10 1 1 A 91 91 VAL CB C 91 29.800 32.713 -2.913 1 1 794 . 10 1 1 A 91 91 VAL N N 91 126.500 123.997 2.503 1 1 795 . 10 1 1 A 92 92 THR H H 92 7.210 8.749 -1.539 1 1 796 . 10 1 1 A 92 92 THR HA H 92 4.630 4.803 -0.173 1 1 801 . 10 1 1 A 92 92 THR C C 92 174.100 174.842 -0.742 1 1 802 . 10 1 1 A 92 92 THR CA C 92 58.000 61.332 -3.332 1 1 803 . 10 1 1 A 92 92 THR CB C 92 72.400 71.437 0.963 1 1 804 . 10 1 1 A 92 92 THR N N 92 117.900 121.028 -3.128 1 1 805 . 10 1 1 A 93 93 LYS H H 93 9.360 9.082 0.278 1 1 806 . 10 1 1 A 93 93 LYS HA H 93 3.680 3.977 -0.297 1 1 810 . 10 1 1 A 93 93 LYS C C 93 177.100 178.515 -1.415 1 1 811 . 10 1 1 A 93 93 LYS CA C 93 60.700 60.264 0.436 1 1 812 . 10 1 1 A 93 93 LYS CB C 93 32.100 32.382 -0.282 1 1 813 . 10 1 1 A 93 93 LYS N N 93 124.100 126.411 -2.311 1 1 814 . 10 1 1 A 94 94 GLU H H 94 9.120 8.188 0.932 1 1 815 . 10 1 1 A 94 94 GLU HA H 94 3.900 4.059 -0.159 1 1 819 . 10 1 1 A 94 94 GLU C C 94 179.100 179.284 -0.184 1 1 820 . 10 1 1 A 94 94 GLU CA C 94 60.700 59.118 1.582 1 1 821 . 10 1 1 A 94 94 GLU CB C 94 28.700 29.159 -0.459 1 1 822 . 10 1 1 A 94 94 GLU N N 94 116.600 119.846 -3.246 1 1 823 . 10 1 1 A 95 95 ASN H H 95 8.020 8.259 -0.239 1 1 824 . 10 1 1 A 95 95 ASN HA H 95 4.650 4.513 0.137 1 1 827 . 10 1 1 A 95 95 ASN C C 95 179.700 178.085 1.615 1 1 828 . 10 1 1 A 95 95 ASN CA C 95 55.300 56.286 -0.986 1 1 829 . 10 1 1 A 95 95 ASN CB C 95 37.500 39.148 -1.648 1 1 830 . 10 1 1 A 95 95 ASN N N 95 118.100 118.109 -0.009 1 1 831 . 10 1 1 A 96 96 LEU H H 96 8.550 8.510 0.040 1 1 832 . 10 1 1 A 96 96 LEU HA H 96 3.960 4.360 -0.400 1 1 842 . 10 1 1 A 96 96 LEU C C 96 178.400 179.217 -0.817 1 1 843 . 10 1 1 A 96 96 LEU CA C 96 57.500 58.325 -0.825 1 1 844 . 10 1 1 A 96 96 LEU CB C 96 42.200 41.913 0.287 1 1 845 . 10 1 1 A 96 96 LEU N N 96 121.600 120.916 0.684 1 1 846 . 10 1 1 A 97 97 LEU H H 97 8.500 8.144 0.356 1 1 847 . 10 1 1 A 97 97 LEU HA H 97 4.010 3.965 0.045 1 1 853 . 10 1 1 A 97 97 LEU C C 97 179.200 178.999 0.201 1 1 854 . 10 1 1 A 97 97 LEU CA C 97 58.900 58.071 0.829 1 1 855 . 10 1 1 A 97 97 LEU CB C 97 40.900 41.422 -0.522 1 1 856 . 10 1 1 A 97 97 LEU N N 97 120.100 119.396 0.704 1 1 857 . 10 1 1 A 98 98 ASP H H 98 7.660 7.960 -0.300 1 1 858 . 10 1 1 A 98 98 ASP HA H 98 4.410 4.096 0.314 1 1 861 . 10 1 1 A 98 98 ASP C C 98 177.800 178.604 -0.804 1 1 862 . 10 1 1 A 98 98 ASP CA C 98 57.700 57.204 0.496 1 1 863 . 10 1 1 A 98 98 ASP CB C 98 41.100 40.805 0.295 1 1 864 . 10 1 1 A 98 98 ASP N N 98 118.700 119.307 -0.607 1 1 865 . 10 1 1 A 99 99 PHE H H 99 7.900 9.014 -1.114 1 1 866 . 10 1 1 A 99 99 PHE HA H 99 4.530 4.167 0.363 1 1 869 . 10 1 1 A 99 99 PHE C C 99 177.600 177.368 0.232 1 1 870 . 10 1 1 A 99 99 PHE CA C 99 60.400 61.506 -1.106 1 1 871 . 10 1 1 A 99 99 PHE CB C 99 39.800 39.534 0.266 1 1 872 . 10 1 1 A 99 99 PHE N N 99 120.800 121.703 -0.903 1 1 873 . 10 1 1 A 100 100 ILE H H 100 8.780 8.907 -0.127 1 1 874 . 10 1 1 A 100 100 ILE HA H 100 3.120 3.793 -0.673 1 1 883 . 10 1 1 A 100 100 ILE C C 100 177.400 178.153 -0.753 1 1 884 . 10 1 1 A 100 100 ILE CA C 100 65.500 65.222 0.278 1 1 885 . 10 1 1 A 100 100 ILE CB C 100 38.500 37.903 0.597 1 1 886 . 10 1 1 A 100 100 ILE N N 100 121.400 121.015 0.385 1 1 887 . 10 1 1 A 101 101 LYS H H 101 8.210 8.142 0.068 1 1 888 . 10 1 1 A 101 101 LYS HA H 101 4.200 4.069 0.131 1 1 893 . 10 1 1 A 101 101 LYS C C 101 179.400 179.284 0.116 1 1 894 . 10 1 1 A 101 101 LYS CA C 101 59.300 59.126 0.174 1 1 895 . 10 1 1 A 101 101 LYS CB C 101 31.800 32.092 -0.292 1 1 896 . 10 1 1 A 101 101 LYS N N 101 117.900 120.079 -2.179 1 1 897 . 10 1 1 A 102 102 HIS H H 102 7.870 8.344 -0.474 1 1 898 . 10 1 1 A 102 102 HIS HA H 102 4.420 4.451 -0.031 1 1 900 . 10 1 1 A 102 102 HIS C C 102 175.900 177.495 -1.595 1 1 901 . 10 1 1 A 102 102 HIS CA C 102 58.400 59.888 -1.488 1 1 902 . 10 1 1 A 102 102 HIS CB C 102 30.100 29.996 0.104 1 1 903 . 10 1 1 A 102 102 HIS N N 102 113.900 117.792 -3.892 1 1 904 . 10 1 1 A 103 103 ASN H H 103 7.270 8.491 -1.221 1 1 905 . 10 1 1 A 103 103 ASN HA H 103 4.840 4.412 0.428 1 1 908 . 10 1 1 A 103 103 ASN C C 103 174.500 176.676 -2.176 1 1 909 . 10 1 1 A 103 103 ASN CA C 103 54.400 55.481 -1.081 1 1 910 . 10 1 1 A 103 103 ASN CB C 103 41.100 38.284 2.816 1 1 911 . 10 1 1 A 103 103 ASN N N 103 113.900 117.454 -3.554 1 1 912 . 10 1 1 A 104 104 GLN H H 104 7.650 8.096 -0.446 1 1 913 . 10 1 1 A 104 104 GLN HA H 104 4.250 4.344 -0.094 1 1 917 . 10 1 1 A 104 104 GLN C C 104 173.800 175.130 -1.330 1 1 918 . 10 1 1 A 104 104 GLN CA C 104 57.400 55.542 1.858 1 1 919 . 10 1 1 A 104 104 GLN CB C 104 28.900 28.212 0.688 1 1 920 . 10 1 1 A 104 104 GLN N N 104 115.000 114.284 0.716 1 1 921 . 10 1 1 A 105 105 LEU H H 105 7.500 7.485 0.015 1 1 922 . 10 1 1 A 105 105 LEU HA H 105 4.720 4.946 -0.226 1 1 927 . 10 1 1 A 105 105 LEU CA C 105 51.800 51.052 0.748 1 1 928 . 10 1 1 A 105 105 LEU CB C 105 42.100 45.719 -3.619 1 1 929 . 10 1 1 A 105 105 LEU N N 105 119.700 121.171 -1.471 1 1 930 . 10 1 1 A 106 106 PRO HA H 106 4.380 4.812 -0.432 1 1 931 . 10 1 1 A 106 106 PRO C C 106 175.600 176.858 -1.258 1 1 932 . 10 1 1 A 106 106 PRO CA C 106 61.700 62.492 -0.792 1 1 933 . 10 1 1 A 106 106 PRO CB C 106 31.800 32.965 -1.165 1 1 934 . 10 1 1 A 107 107 LEU H H 107 9.440 8.892 0.548 1 1 935 . 10 1 1 A 107 107 LEU HA H 107 3.980 4.449 -0.469 1 1 941 . 10 1 1 A 107 107 LEU C C 107 177.100 176.402 0.698 1 1 942 . 10 1 1 A 107 107 LEU CA C 107 57.800 55.388 2.412 1 1 943 . 10 1 1 A 107 107 LEU CB C 107 42.700 42.658 0.042 1 1 944 . 10 1 1 A 107 107 LEU N N 107 123.400 119.872 3.528 1 1 945 . 10 1 1 A 108 108 VAL H H 108 7.730 7.491 0.239 1 1 946 . 10 1 1 A 108 108 VAL HA H 108 5.010 5.160 -0.150 1 1 951 . 10 1 1 A 108 108 VAL C C 108 174.800 173.436 1.364 1 1 952 . 10 1 1 A 108 108 VAL CA C 108 59.400 60.841 -1.441 1 1 953 . 10 1 1 A 108 108 VAL CB C 108 34.400 34.258 0.142 1 1 954 . 10 1 1 A 108 108 VAL N N 108 109.700 116.783 -7.083 1 1 955 . 10 1 1 A 109 109 ILE H H 109 8.700 9.021 -0.321 1 1 956 . 10 1 1 A 109 109 ILE HA H 109 4.210 5.060 -0.850 1 1 965 . 10 1 1 A 109 109 ILE C C 109 173.500 173.892 -0.392 1 1 966 . 10 1 1 A 109 109 ILE CA C 109 59.900 59.314 0.586 1 1 967 . 10 1 1 A 109 109 ILE CB C 109 41.600 42.198 -0.598 1 1 968 . 10 1 1 A 109 109 ILE N N 109 124.500 127.514 -3.014 1 1 969 . 10 1 1 A 110 110 GLU H H 110 8.410 8.158 0.252 1 1 970 . 10 1 1 A 110 110 GLU HA H 110 3.430 3.382 0.048 1 1 973 . 10 1 1 A 110 110 GLU C C 110 176.000 175.727 0.273 1 1 974 . 10 1 1 A 110 110 GLU CA C 110 54.700 55.827 -1.127 1 1 975 . 10 1 1 A 110 110 GLU CB C 110 29.800 29.367 0.433 1 1 976 . 10 1 1 A 110 110 GLU N N 110 128.200 124.814 3.386 1 1 977 . 10 1 1 A 111 111 PHE H H 111 8.680 9.022 -0.342 1 1 978 . 10 1 1 A 111 111 PHE HA H 111 3.850 4.538 -0.688 1 1 981 . 10 1 1 A 111 111 PHE C C 111 173.600 174.662 -1.062 1 1 982 . 10 1 1 A 111 111 PHE CA C 111 59.500 59.224 0.276 1 1 983 . 10 1 1 A 111 111 PHE CB C 111 40.200 39.345 0.855 1 1 984 . 10 1 1 A 111 111 PHE N N 111 128.800 123.806 4.994 1 1 985 . 10 1 1 A 112 112 THR H H 112 7.310 7.831 -0.521 1 1 986 . 10 1 1 A 112 112 THR HA H 112 4.500 4.531 -0.031 1 1 991 . 10 1 1 A 112 112 THR C C 112 173.700 174.467 -0.767 1 1 992 . 10 1 1 A 112 112 THR CA C 112 59.200 60.174 -0.974 1 1 993 . 10 1 1 A 112 112 THR CB C 112 73.500 70.916 2.584 1 1 994 . 10 1 1 A 112 112 THR N N 112 119.800 116.591 3.209 1 1 995 . 10 1 1 A 113 113 GLU H H 113 8.930 9.023 -0.093 1 1 996 . 10 1 1 A 113 113 GLU HA H 113 3.890 3.895 -0.005 1 1 1000 . 10 1 1 A 113 113 GLU C C 113 178.100 178.196 -0.096 1 1 1001 . 10 1 1 A 113 113 GLU CA C 113 59.100 59.446 -0.346 1 1 1002 . 10 1 1 A 113 113 GLU CB C 113 29.200 29.259 -0.059 1 1 1003 . 10 1 1 A 113 113 GLU N N 113 120.100 120.823 -0.723 1 1 1004 . 10 1 1 A 114 114 GLN H H 114 7.940 7.770 0.170 1 1 1005 . 10 1 1 A 114 114 GLN HA H 114 4.130 4.048 0.082 1 1 1008 . 10 1 1 A 114 114 GLN C C 114 177.800 178.643 -0.843 1 1 1009 . 10 1 1 A 114 114 GLN CA C 114 58.200 58.524 -0.324 1 1 1010 . 10 1 1 A 114 114 GLN CB C 114 28.600 28.324 0.276 1 1 1011 . 10 1 1 A 114 114 GLN N N 114 114.800 119.567 -4.767 1 1 1012 . 10 1 1 A 115 115 THR H H 115 7.500 7.696 -0.196 1 1 1013 . 10 1 1 A 115 115 THR HA H 115 4.180 3.830 0.350 1 1 1018 . 10 1 1 A 115 115 THR C C 115 175.800 176.110 -0.310 1 1 1019 . 10 1 1 A 115 115 THR CA C 115 61.900 66.500 -4.600 1 1 1020 . 10 1 1 A 115 115 THR CB C 115 69.400 68.560 0.840 1 1 1021 . 10 1 1 A 115 115 THR N N 115 109.000 118.261 -9.261 1 1 1022 . 10 1 1 A 116 116 ALA H H 116 7.770 7.933 -0.163 1 1 1023 . 10 1 1 A 116 116 ALA HA H 116 3.840 3.877 -0.037 1 1 1027 . 10 1 1 A 116 116 ALA CA C 116 56.800 56.927 -0.127 1 1 1028 . 10 1 1 A 116 116 ALA CB C 116 16.100 16.771 -0.671 1 1 1029 . 10 1 1 A 116 116 ALA N N 116 125.500 122.863 2.637 1 1 1030 . 10 1 1 A 117 117 PRO HA H 117 4.370 3.870 0.500 1 1 1031 . 10 1 1 A 117 117 PRO C C 117 179.500 178.954 0.546 1 1 1032 . 10 1 1 A 117 117 PRO CA C 117 65.800 65.645 0.155 1 1 1033 . 10 1 1 A 117 117 PRO CB C 117 30.800 30.496 0.304 1 1 1034 . 10 1 1 A 118 118 LYS H H 118 7.260 7.933 -0.673 1 1 1035 . 10 1 1 A 118 118 LYS HA H 118 4.140 4.122 0.018 1 1 1039 . 10 1 1 A 118 118 LYS C C 118 178.300 179.349 -1.049 1 1 1040 . 10 1 1 A 118 118 LYS CA C 118 57.500 58.924 -1.424 1 1 1041 . 10 1 1 A 118 118 LYS CB C 118 32.200 31.682 0.518 1 1 1042 . 10 1 1 A 118 118 LYS N N 118 115.800 117.797 -1.997 1 1 1043 . 10 1 1 A 119 119 ILE H H 119 7.690 7.707 -0.017 1 1 1044 . 10 1 1 A 119 119 ILE HA H 119 3.440 4.017 -0.577 1 1 1053 . 10 1 1 A 119 119 ILE C C 119 177.500 178.434 -0.934 1 1 1054 . 10 1 1 A 119 119 ILE CA C 119 64.400 64.470 -0.070 1 1 1055 . 10 1 1 A 119 119 ILE CB C 119 38.700 37.727 0.973 1 1 1056 . 10 1 1 A 119 119 ILE N N 119 119.300 120.254 -0.954 1 1 1057 . 10 1 1 A 120 120 PHE H H 120 8.040 8.298 -0.258 1 1 1058 . 10 1 1 A 120 120 PHE HA H 120 4.310 4.212 0.098 1 1 1061 . 10 1 1 A 120 120 PHE C C 120 176.800 178.107 -1.307 1 1 1062 . 10 1 1 A 120 120 PHE CA C 120 58.900 59.943 -1.043 1 1 1063 . 10 1 1 A 120 120 PHE CB C 120 38.400 38.026 0.374 1 1 1064 . 10 1 1 A 120 120 PHE N N 120 115.800 119.622 -3.822 1 1 1065 . 10 1 1 A 121 121 GLY H H 121 7.660 8.191 -0.531 1 1 1066 . 10 1 1 A 121 121 GLY HA2 H 121 3.830 4.174 -0.344 1 1 1067 . 10 1 1 A 121 121 GLY HA3 H 121 4.350 4.176 0.174 1 1 1068 . 10 1 1 A 121 121 GLY C C 121 174.700 175.148 -0.448 1 1 1069 . 10 1 1 A 121 121 GLY CA C 121 45.300 44.666 0.634 1 1 1070 . 10 1 1 A 121 121 GLY N N 121 106.800 108.850 -2.050 1 1 1071 . 10 1 1 A 122 122 GLY H H 122 7.620 8.599 -0.979 1 1 1072 . 10 1 1 A 122 122 GLY HA2 H 122 4.000 4.057 -0.057 1 1 1073 . 10 1 1 A 122 122 GLY HA3 H 122 4.320 4.088 0.232 1 1 1074 . 10 1 1 A 122 122 GLY C C 122 173.800 174.703 -0.903 1 1 1075 . 10 1 1 A 122 122 GLY CA C 122 44.800 45.483 -0.683 1 1 1076 . 10 1 1 A 122 122 GLY N N 122 108.400 108.738 -0.338 1 1 1077 . 10 1 1 A 123 123 GLU H H 123 8.490 8.787 -0.297 1 1 1078 . 10 1 1 A 123 123 GLU HA H 123 4.160 4.015 0.145 1 1 1082 . 10 1 1 A 123 123 GLU C C 123 177.700 176.531 1.169 1 1 1083 . 10 1 1 A 123 123 GLU CA C 123 57.900 57.458 0.442 1 1 1084 . 10 1 1 A 123 123 GLU CB C 123 30.400 28.319 2.081 1 1 1085 . 10 1 1 A 123 123 GLU N N 123 117.700 114.523 3.177 1 1 1086 . 10 1 1 A 124 124 ILE H H 124 7.890 8.643 -0.753 1 1 1087 . 10 1 1 A 124 124 ILE HA H 124 4.090 3.910 0.180 1 1 1096 . 10 1 1 A 124 124 ILE C C 124 176.700 174.716 1.984 1 1 1097 . 10 1 1 A 124 124 ILE CA C 124 62.000 62.028 -0.028 1 1 1098 . 10 1 1 A 124 124 ILE CB C 124 37.500 35.562 1.938 1 1 1099 . 10 1 1 A 124 124 ILE N N 124 119.900 116.061 3.839 1 1 1100 . 10 1 1 A 125 125 LYS H H 125 8.600 8.360 0.240 1 1 1101 . 10 1 1 A 125 125 LYS HA H 125 4.590 4.820 -0.230 1 1 1104 . 10 1 1 A 125 125 LYS C C 125 174.400 174.716 -0.316 1 1 1105 . 10 1 1 A 125 125 LYS CA C 125 55.600 54.635 0.965 1 1 1106 . 10 1 1 A 125 125 LYS CB C 125 33.000 36.767 -3.767 1 1 1107 . 10 1 1 A 125 125 LYS N N 125 125.500 124.387 1.113 1 1 1108 . 10 1 1 A 126 126 THR H H 126 6.860 8.372 -1.512 1 1 1109 . 10 1 1 A 126 126 THR HA H 126 4.940 4.910 0.030 1 1 1114 . 10 1 1 A 126 126 THR C C 126 172.000 173.572 -1.572 1 1 1115 . 10 1 1 A 126 126 THR CA C 126 62.100 61.620 0.480 1 1 1116 . 10 1 1 A 126 126 THR CB C 126 69.700 69.665 0.035 1 1 1117 . 10 1 1 A 126 126 THR N N 126 116.200 116.618 -0.418 1 1 1118 . 10 1 1 A 127 127 HIS H H 127 8.870 8.701 0.169 1 1 1119 . 10 1 1 A 127 127 HIS HA H 127 5.470 5.937 -0.467 1 1 1121 . 10 1 1 A 127 127 HIS C C 127 173.600 172.003 1.597 1 1 1122 . 10 1 1 A 127 127 HIS CA C 127 53.700 53.889 -0.189 1 1 1123 . 10 1 1 A 127 127 HIS CB C 127 35.300 33.415 1.885 1 1 1124 . 10 1 1 A 127 127 HIS N N 127 125.900 123.192 2.708 1 1 1125 . 10 1 1 A 128 128 ILE H H 128 9.200 8.762 0.438 1 1 1126 . 10 1 1 A 128 128 ILE HA H 128 4.890 4.804 0.086 1 1 1134 . 10 1 1 A 128 128 ILE C C 128 171.100 173.373 -2.273 1 1 1135 . 10 1 1 A 128 128 ILE CA C 128 58.900 60.087 -1.187 1 1 1136 . 10 1 1 A 128 128 ILE CB C 128 40.200 40.292 -0.092 1 1 1137 . 10 1 1 A 128 128 ILE N N 128 122.600 122.038 0.562 1 1 1138 . 10 1 1 A 129 129 LEU H H 129 9.070 9.005 0.065 1 1 1139 . 10 1 1 A 129 129 LEU HA H 129 5.040 5.679 -0.639 1 1 1148 . 10 1 1 A 129 129 LEU C C 129 174.300 174.341 -0.041 1 1 1149 . 10 1 1 A 129 129 LEU CA C 129 53.400 53.107 0.293 1 1 1150 . 10 1 1 A 129 129 LEU CB C 129 43.600 44.740 -1.140 1 1 1151 . 10 1 1 A 129 129 LEU N N 129 128.800 131.389 -2.589 1 1 1152 . 10 1 1 A 130 130 LEU H H 130 8.680 8.683 -0.003 1 1 1153 . 10 1 1 A 130 130 LEU HA H 130 4.640 4.852 -0.212 1 1 1162 . 10 1 1 A 130 130 LEU C C 130 174.400 174.214 0.186 1 1 1163 . 10 1 1 A 130 130 LEU CA C 130 52.700 52.232 0.468 1 1 1164 . 10 1 1 A 130 130 LEU CB C 130 41.600 45.792 -4.192 1 1 1165 . 10 1 1 A 130 130 LEU N N 130 123.200 127.047 -3.847 1 1 1166 . 10 1 1 A 131 131 PHE H H 131 9.100 8.355 0.745 1 1 1167 . 10 1 1 A 131 131 PHE HA H 131 4.630 5.015 -0.385 1 1 1170 . 10 1 1 A 131 131 PHE C C 131 173.600 175.053 -1.453 1 1 1171 . 10 1 1 A 131 131 PHE CA C 131 56.800 57.311 -0.511 1 1 1172 . 10 1 1 A 131 131 PHE CB C 131 39.200 39.739 -0.539 1 1 1173 . 10 1 1 A 131 131 PHE N N 131 127.500 126.033 1.467 1 1 1174 . 10 1 1 A 132 132 LEU H H 132 9.000 9.066 -0.066 1 1 1175 . 10 1 1 A 132 132 LEU HA H 132 5.020 4.898 0.122 1 1 1183 . 10 1 1 A 132 132 LEU CA C 132 50.700 51.111 -0.411 1 1 1184 . 10 1 1 A 132 132 LEU CB C 132 44.400 42.865 1.535 1 1 1185 . 10 1 1 A 132 132 LEU N N 132 127.100 125.191 1.909 1 1 1186 . 10 1 1 A 133 133 PRO HA H 133 4.770 4.385 0.385 1 1 1187 . 10 1 1 A 133 133 PRO C C 133 179.100 178.903 0.197 1 1 1188 . 10 1 1 A 133 133 PRO CA C 133 62.300 65.476 -3.176 1 1 1189 . 10 1 1 A 133 133 PRO CB C 133 31.600 31.716 -0.116 1 1 1190 . 10 1 1 A 134 134 LYS H H 134 8.300 8.101 0.199 1 1 1191 . 10 1 1 A 134 134 LYS HA H 134 4.070 4.137 -0.067 1 1 1195 . 10 1 1 A 134 134 LYS C C 134 176.700 177.002 -0.302 1 1 1196 . 10 1 1 A 134 134 LYS CA C 134 58.900 59.502 -0.602 1 1 1197 . 10 1 1 A 134 134 LYS CB C 134 32.000 32.430 -0.430 1 1 1198 . 10 1 1 A 134 134 LYS N N 134 123.900 118.825 5.075 1 1 1199 . 10 1 1 A 135 135 SER H H 135 7.610 8.126 -0.516 1 1 1200 . 10 1 1 A 135 135 SER HA H 135 4.250 4.193 0.057 1 1 1202 . 10 1 1 A 135 135 SER C C 135 175.200 174.360 0.840 1 1 1203 . 10 1 1 A 135 135 SER CA C 135 58.200 59.116 -0.916 1 1 1204 . 10 1 1 A 135 135 SER CB C 135 63.300 61.475 1.825 1 1 1205 . 10 1 1 A 135 135 SER N N 135 108.200 113.903 -5.703 1 1 1206 . 10 1 1 A 136 136 VAL H H 136 7.500 7.902 -0.402 1 1 1207 . 10 1 1 A 136 136 VAL HA H 136 4.210 3.887 0.323 1 1 1215 . 10 1 1 A 136 136 VAL C C 136 175.100 177.638 -2.538 1 1 1216 . 10 1 1 A 136 136 VAL CA C 136 61.900 65.576 -3.676 1 1 1217 . 10 1 1 A 136 136 VAL CB C 136 32.600 31.839 0.761 1 1 1218 . 10 1 1 A 136 136 VAL N N 136 122.800 120.828 1.972 1 1 1219 . 10 1 1 A 137 137 SER H H 137 8.450 7.938 0.512 1 1 1220 . 10 1 1 A 137 137 SER HA H 137 4.300 5.221 -0.921 1 1 1222 . 10 1 1 A 137 137 SER C C 137 175.200 174.119 1.081 1 1 1223 . 10 1 1 A 137 137 SER CA C 137 59.700 58.220 1.480 1 1 1224 . 10 1 1 A 137 137 SER CB C 137 63.000 63.829 -0.829 1 1 1225 . 10 1 1 A 137 137 SER N N 137 120.800 113.595 7.205 1 1 1226 . 10 1 1 A 138 138 ASP H H 138 8.980 8.450 0.530 1 1 1227 . 10 1 1 A 138 138 ASP HA H 138 4.630 4.587 0.043 1 1 1230 . 10 1 1 A 138 138 ASP C C 138 174.800 176.437 -1.637 1 1 1231 . 10 1 1 A 138 138 ASP CA C 138 54.000 54.133 -0.133 1 1 1232 . 10 1 1 A 138 138 ASP CB C 138 39.300 40.815 -1.515 1 1 1233 . 10 1 1 A 138 138 ASP N N 138 122.400 122.783 -0.383 1 1 1234 . 10 1 1 A 139 139 TYR H H 139 7.620 8.259 -0.639 1 1 1235 . 10 1 1 A 139 139 TYR HA H 139 3.530 4.105 -0.575 1 1 1238 . 10 1 1 A 139 139 TYR C C 139 176.400 176.692 -0.292 1 1 1239 . 10 1 1 A 139 139 TYR CA C 139 62.800 60.792 2.008 1 1 1240 . 10 1 1 A 139 139 TYR CB C 139 39.100 37.247 1.853 1 1 1241 . 10 1 1 A 139 139 TYR N N 139 120.500 119.304 1.196 1 1 1242 . 10 1 1 A 140 140 ASP H H 140 8.690 7.515 1.175 1 1 1243 . 10 1 1 A 140 140 ASP HA H 140 4.210 4.190 0.020 1 1 1245 . 10 1 1 A 140 140 ASP C C 140 179.300 178.550 0.750 1 1 1246 . 10 1 1 A 140 140 ASP CA C 140 57.200 56.728 0.472 1 1 1247 . 10 1 1 A 140 140 ASP CB C 140 40.400 39.955 0.445 1 1 1248 . 10 1 1 A 140 140 ASP N N 140 115.200 120.401 -5.201 1 1 1249 . 10 1 1 A 141 141 GLY H H 141 7.800 8.163 -0.363 1 1 1250 . 10 1 1 A 141 141 GLY HA2 H 141 3.800 3.656 0.144 1 1 1251 . 10 1 1 A 141 141 GLY HA3 H 141 4.070 3.671 0.399 1 1 1252 . 10 1 1 A 141 141 GLY C C 141 176.800 175.586 1.214 1 1 1253 . 10 1 1 A 141 141 GLY CA C 141 47.000 47.306 -0.306 1 1 1254 . 10 1 1 A 141 141 GLY N N 141 110.300 108.402 1.898 1 1 1255 . 10 1 1 A 142 142 LYS H H 142 8.010 8.078 -0.068 1 1 1256 . 10 1 1 A 142 142 LYS HA H 142 4.030 3.824 0.206 1 1 1259 . 10 1 1 A 142 142 LYS C C 142 179.000 178.615 0.385 1 1 1260 . 10 1 1 A 142 142 LYS CA C 142 59.700 58.922 0.778 1 1 1261 . 10 1 1 A 142 142 LYS CB C 142 33.000 31.802 1.198 1 1 1262 . 10 1 1 A 142 142 LYS N N 142 123.200 121.659 1.541 1 1 1263 . 10 1 1 A 143 143 LEU H H 143 8.090 7.687 0.403 1 1 1264 . 10 1 1 A 143 143 LEU HA H 143 3.760 3.830 -0.070 1 1 1273 . 10 1 1 A 143 143 LEU C C 143 179.000 178.362 0.638 1 1 1274 . 10 1 1 A 143 143 LEU CA C 143 57.500 57.964 -0.464 1 1 1275 . 10 1 1 A 143 143 LEU CB C 143 40.600 41.288 -0.688 1 1 1276 . 10 1 1 A 143 143 LEU N N 143 120.000 120.946 -0.946 1 1 1277 . 10 1 1 A 144 144 SER H H 144 8.350 8.373 -0.023 1 1 1278 . 10 1 1 A 144 144 SER HA H 144 4.120 4.041 0.079 1 1 1280 . 10 1 1 A 144 144 SER C C 144 177.300 177.297 0.003 1 1 1281 . 10 1 1 A 144 144 SER CA C 144 61.900 61.619 0.281 1 1 1282 . 10 1 1 A 144 144 SER CB C 144 62.300 62.889 -0.589 1 1 1283 . 10 1 1 A 144 144 SER N N 144 114.600 114.712 -0.112 1 1 1284 . 10 1 1 A 145 145 ASN H H 145 7.980 8.139 -0.159 1 1 1285 . 10 1 1 A 145 145 ASN HA H 145 4.460 4.613 -0.153 1 1 1288 . 10 1 1 A 145 145 ASN C C 145 176.300 178.471 -2.171 1 1 1289 . 10 1 1 A 145 145 ASN CA C 145 56.600 56.459 0.141 1 1 1290 . 10 1 1 A 145 145 ASN CB C 145 38.600 38.709 -0.109 1 1 1291 . 10 1 1 A 145 145 ASN N N 145 121.600 119.450 2.150 1 1 1292 . 10 1 1 A 146 146 PHE H H 146 7.710 8.617 -0.907 1 1 1293 . 10 1 1 A 146 146 PHE HA H 146 4.370 4.274 0.096 1 1 1296 . 10 1 1 A 146 146 PHE C C 146 176.200 177.991 -1.791 1 1 1297 . 10 1 1 A 146 146 PHE CA C 146 61.500 61.385 0.115 1 1 1298 . 10 1 1 A 146 146 PHE CB C 146 40.500 38.985 1.515 1 1 1299 . 10 1 1 A 146 146 PHE N N 146 121.800 118.288 3.512 1 1 1300 . 10 1 1 A 147 147 LYS H H 147 8.510 8.599 -0.089 1 1 1301 . 10 1 1 A 147 147 LYS HA H 147 3.620 3.918 -0.298 1 1 1305 . 10 1 1 A 147 147 LYS C C 147 178.200 178.240 -0.040 1 1 1306 . 10 1 1 A 147 147 LYS CA C 147 59.600 59.690 -0.090 1 1 1307 . 10 1 1 A 147 147 LYS CB C 147 32.400 32.548 -0.148 1 1 1308 . 10 1 1 A 147 147 LYS N N 147 117.700 118.873 -1.173 1 1 1309 . 10 1 1 A 148 148 THR H H 148 8.280 7.988 0.292 1 1 1310 . 10 1 1 A 148 148 THR HA H 148 3.870 4.055 -0.185 1 1 1315 . 10 1 1 A 148 148 THR C C 148 177.200 177.038 0.162 1 1 1316 . 10 1 1 A 148 148 THR CA C 148 66.600 65.360 1.240 1 1 1317 . 10 1 1 A 148 148 THR CB C 148 68.200 67.956 0.244 1 1 1318 . 10 1 1 A 148 148 THR N N 148 116.200 112.661 3.539 1 1 1319 . 10 1 1 A 149 149 ALA H H 149 7.570 8.237 -0.667 1 1 1320 . 10 1 1 A 149 149 ALA HA H 149 4.030 3.860 0.170 1 1 1324 . 10 1 1 A 149 149 ALA C C 149 177.700 179.071 -1.371 1 1 1325 . 10 1 1 A 149 149 ALA CA C 149 54.900 55.231 -0.331 1 1 1326 . 10 1 1 A 149 149 ALA CB C 149 18.700 17.934 0.766 1 1 1327 . 10 1 1 A 149 149 ALA N N 149 124.000 124.409 -0.409 1 1 1328 . 10 1 1 A 150 150 ALA H H 150 7.360 8.433 -1.073 1 1 1329 . 10 1 1 A 150 150 ALA HA H 150 1.860 3.442 -1.582 1 1 1333 . 10 1 1 A 150 150 ALA C C 150 180.600 178.720 1.880 1 1 1334 . 10 1 1 A 150 150 ALA CA C 150 53.900 54.974 -1.074 1 1 1335 . 10 1 1 A 150 150 ALA CB C 150 19.500 18.051 1.449 1 1 1336 . 10 1 1 A 150 150 ALA N N 150 119.700 120.083 -0.383 1 1 1337 . 10 1 1 A 151 151 GLU H H 151 7.050 8.196 -1.146 1 1 1338 . 10 1 1 A 151 151 GLU HA H 151 3.680 3.986 -0.306 1 1 1342 . 10 1 1 A 151 151 GLU C C 151 178.500 178.158 0.342 1 1 1343 . 10 1 1 A 151 151 GLU CA C 151 59.000 59.293 -0.293 1 1 1344 . 10 1 1 A 151 151 GLU CB C 151 30.000 29.413 0.587 1 1 1345 . 10 1 1 A 151 151 GLU N N 151 114.200 118.429 -4.229 1 1 1346 . 10 1 1 A 152 152 SER H H 152 7.510 7.843 -0.333 1 1 1347 . 10 1 1 A 152 152 SER HA H 152 4.160 4.230 -0.070 1 1 1350 . 10 1 1 A 152 152 SER C C 152 173.400 176.006 -2.606 1 1 1351 . 10 1 1 A 152 152 SER CA C 152 60.600 61.333 -0.733 1 1 1352 . 10 1 1 A 152 152 SER CB C 152 63.500 63.196 0.304 1 1 1353 . 10 1 1 A 152 152 SER N N 152 111.900 114.656 -2.756 1 1 1354 . 10 1 1 A 153 153 PHE H H 153 7.240 7.738 -0.498 1 1 1355 . 10 1 1 A 153 153 PHE HA H 153 4.750 4.771 -0.021 1 1 1358 . 10 1 1 A 153 153 PHE C C 153 174.600 174.839 -0.239 1 1 1359 . 10 1 1 A 153 153 PHE CA C 153 57.200 56.691 0.509 1 1 1360 . 10 1 1 A 153 153 PHE CB C 153 41.300 38.380 2.920 1 1 1361 . 10 1 1 A 153 153 PHE N N 153 115.800 116.617 -0.817 1 1 1362 . 10 1 1 A 154 154 LYS H H 154 7.320 7.320 0.000 1 1 1363 . 10 1 1 A 154 154 LYS HA H 154 4.380 4.222 0.158 1 1 1368 . 10 1 1 A 154 154 LYS C C 154 178.200 176.868 1.332 1 1 1369 . 10 1 1 A 154 154 LYS CA C 154 58.500 56.312 2.188 1 1 1370 . 10 1 1 A 154 154 LYS CB C 154 31.900 32.395 -0.495 1 1 1371 . 10 1 1 A 154 154 LYS N N 154 124.000 118.228 5.772 1 1 1372 . 10 1 1 A 155 155 GLY H H 155 9.720 8.828 0.892 1 1 1373 . 10 1 1 A 155 155 GLY HA2 H 155 3.620 3.927 -0.307 1 1 1374 . 10 1 1 A 155 155 GLY HA3 H 155 4.290 3.931 0.359 1 1 1375 . 10 1 1 A 155 155 GLY C C 155 173.200 173.812 -0.612 1 1 1376 . 10 1 1 A 155 155 GLY CA C 155 45.500 45.556 -0.056 1 1 1377 . 10 1 1 A 155 155 GLY N N 155 115.400 112.577 2.823 1 1 1378 . 10 1 1 A 156 156 LYS H H 156 8.400 7.675 0.725 1 1 1379 . 10 1 1 A 156 156 LYS HA H 156 4.630 4.586 0.044 1 1 1383 . 10 1 1 A 156 156 LYS C C 156 175.000 175.781 -0.781 1 1 1384 . 10 1 1 A 156 156 LYS CA C 156 57.100 57.267 -0.167 1 1 1385 . 10 1 1 A 156 156 LYS CB C 156 35.800 35.725 0.075 1 1 1386 . 10 1 1 A 156 156 LYS N N 156 118.700 120.049 -1.349 1 1 1387 . 10 1 1 A 157 157 ILE H H 157 7.890 7.591 0.299 1 1 1388 . 10 1 1 A 157 157 ILE HA H 157 4.330 5.180 -0.850 1 1 1396 . 10 1 1 A 157 157 ILE C C 157 175.000 173.190 1.810 1 1 1397 . 10 1 1 A 157 157 ILE CA C 157 60.400 59.985 0.415 1 1 1398 . 10 1 1 A 157 157 ILE CB C 157 43.600 42.141 1.459 1 1 1399 . 10 1 1 A 157 157 ILE N N 157 116.600 118.377 -1.777 1 1 1400 . 10 1 1 A 158 158 LEU H H 158 8.300 8.871 -0.571 1 1 1401 . 10 1 1 A 158 158 LEU HA H 158 4.840 5.153 -0.313 1 1 1410 . 10 1 1 A 158 158 LEU C C 158 175.000 175.847 -0.847 1 1 1411 . 10 1 1 A 158 158 LEU CA C 158 54.500 53.149 1.351 1 1 1412 . 10 1 1 A 158 158 LEU CB C 158 43.300 44.132 -0.832 1 1 1413 . 10 1 1 A 158 158 LEU N N 158 129.800 128.949 0.851 1 1 1414 . 10 1 1 A 159 159 PHE H H 159 9.310 8.671 0.639 1 1 1415 . 10 1 1 A 159 159 PHE HA H 159 4.890 4.981 -0.091 1 1 1418 . 10 1 1 A 159 159 PHE C C 159 178.500 176.143 2.357 1 1 1419 . 10 1 1 A 159 159 PHE CA C 159 56.600 57.162 -0.562 1 1 1420 . 10 1 1 A 159 159 PHE CB C 159 39.100 40.269 -1.169 1 1 1421 . 10 1 1 A 159 159 PHE N N 159 130.000 123.604 6.396 1 1 1422 . 10 1 1 A 160 160 ILE H H 160 9.130 9.636 -0.506 1 1 1423 . 10 1 1 A 160 160 ILE HA H 160 5.470 5.292 0.178 1 1 1431 . 10 1 1 A 160 160 ILE C C 160 174.500 175.336 -0.836 1 1 1432 . 10 1 1 A 160 160 ILE CA C 160 58.700 59.651 -0.951 1 1 1433 . 10 1 1 A 160 160 ILE CB C 160 42.000 40.955 1.045 1 1 1434 . 10 1 1 A 160 160 ILE N N 160 124.100 119.773 4.327 1 1 1435 . 10 1 1 A 161 161 PHE H H 161 8.920 8.660 0.260 1 1 1436 . 10 1 1 A 161 161 PHE HA H 161 5.780 5.840 -0.060 1 1 1439 . 10 1 1 A 161 161 PHE C C 161 172.800 172.617 0.183 1 1 1440 . 10 1 1 A 161 161 PHE CA C 161 54.500 55.107 -0.607 1 1 1441 . 10 1 1 A 161 161 PHE CB C 161 42.700 42.828 -0.128 1 1 1442 . 10 1 1 A 161 161 PHE N N 161 122.600 118.756 3.844 1 1 1443 . 10 1 1 A 162 162 ILE H H 162 8.780 9.335 -0.555 1 1 1444 . 10 1 1 A 162 162 ILE HA H 162 4.310 5.103 -0.793 1 1 1451 . 10 1 1 A 162 162 ILE C C 162 174.000 174.915 -0.915 1 1 1452 . 10 1 1 A 162 162 ILE CA C 162 59.600 59.277 0.323 1 1 1453 . 10 1 1 A 162 162 ILE CB C 162 42.300 41.639 0.661 1 1 1454 . 10 1 1 A 162 162 ILE N N 162 121.400 122.334 -0.934 1 1 1455 . 10 1 1 A 163 163 ASP H H 163 8.410 8.718 -0.308 1 1 1456 . 10 1 1 A 163 163 ASP HA H 163 5.370 4.967 0.403 1 1 1459 . 10 1 1 A 163 163 ASP C C 163 178.300 177.279 1.021 1 1 1460 . 10 1 1 A 163 163 ASP CA C 163 52.600 53.926 -1.326 1 1 1461 . 10 1 1 A 163 163 ASP CB C 163 40.500 41.290 -0.790 1 1 1462 . 10 1 1 A 163 163 ASP N N 163 123.800 127.366 -3.566 1 1 1463 . 10 1 1 A 164 164 SER H H 164 7.470 9.713 -2.243 1 1 1464 . 10 1 1 A 164 164 SER HA H 164 3.990 4.165 -0.175 1 1 1467 . 10 1 1 A 164 164 SER C C 164 173.900 174.303 -0.403 1 1 1468 . 10 1 1 A 164 164 SER CA C 164 60.500 62.303 -1.803 1 1 1469 . 10 1 1 A 164 164 SER CB C 164 64.500 62.817 1.683 1 1 1470 . 10 1 1 A 164 164 SER N N 164 124.000 117.960 6.040 1 1 1471 . 10 1 1 A 165 165 ASP H H 165 8.360 8.046 0.314 1 1 1472 . 10 1 1 A 165 165 ASP HA H 165 4.670 4.188 0.482 1 1 1475 . 10 1 1 A 165 165 ASP C C 165 177.400 176.683 0.717 1 1 1476 . 10 1 1 A 165 165 ASP CA C 165 55.600 54.958 0.642 1 1 1477 . 10 1 1 A 165 165 ASP CB C 165 41.300 39.138 2.162 1 1 1478 . 10 1 1 A 165 165 ASP N N 165 119.300 117.289 2.011 1 1 1479 . 10 1 1 A 166 166 HIS H H 166 7.260 7.946 -0.686 1 1 1480 . 10 1 1 A 166 166 HIS HA H 166 4.400 4.378 0.022 1 1 1482 . 10 1 1 A 166 166 HIS CA C 166 58.300 58.241 0.059 1 1 1483 . 10 1 1 A 166 166 HIS CB C 166 31.900 28.417 3.483 1 1 1484 . 10 1 1 A 166 166 HIS N N 166 121.400 116.654 4.746 1 1 1485 . 10 1 1 A 167 167 THR HA H 167 4.050 4.465 -0.415 1 1 1490 . 10 1 1 A 167 167 THR C C 167 176.800 175.317 1.483 1 1 1491 . 10 1 1 A 167 167 THR CA C 167 66.000 62.330 3.670 1 1 1492 . 10 1 1 A 167 167 THR CB C 167 68.600 69.487 -0.887 1 1 1493 . 10 1 1 A 168 168 ASP H H 168 11.030 8.125 2.905 1 1 1494 . 10 1 1 A 168 168 ASP HA H 168 4.640 4.419 0.221 1 1 1497 . 10 1 1 A 168 168 ASP C C 168 177.500 177.754 -0.254 1 1 1498 . 10 1 1 A 168 168 ASP CA C 168 56.800 56.527 0.273 1 1 1499 . 10 1 1 A 168 168 ASP CB C 168 39.800 40.577 -0.777 1 1 1500 . 10 1 1 A 168 168 ASP N N 168 124.900 122.708 2.192 1 1 1501 . 10 1 1 A 169 169 ASN H H 169 7.970 8.745 -0.775 1 1 1502 . 10 1 1 A 169 169 ASN HA H 169 5.260 4.844 0.416 1 1 1505 . 10 1 1 A 169 169 ASN C C 169 176.100 176.503 -0.403 1 1 1506 . 10 1 1 A 169 169 ASN CA C 169 52.700 53.224 -0.524 1 1 1507 . 10 1 1 A 169 169 ASN CB C 169 38.600 38.349 0.251 1 1 1508 . 10 1 1 A 169 169 ASN N N 169 114.600 116.932 -2.332 1 1 1509 . 10 1 1 A 170 170 GLN H H 170 7.660 8.026 -0.366 1 1 1510 . 10 1 1 A 170 170 GLN HA H 170 4.020 4.082 -0.062 1 1 1513 . 10 1 1 A 170 170 GLN C C 170 178.100 178.571 -0.471 1 1 1514 . 10 1 1 A 170 170 GLN CA C 170 59.500 58.926 0.574 1 1 1515 . 10 1 1 A 170 170 GLN CB C 170 28.000 28.530 -0.530 1 1 1516 . 10 1 1 A 170 170 GLN N N 170 121.400 120.219 1.181 1 1 1517 . 10 1 1 A 171 171 ARG H H 171 8.570 7.764 0.806 1 1 1518 . 10 1 1 A 171 171 ARG HA H 171 4.250 4.105 0.145 1 1 1521 . 10 1 1 A 171 171 ARG C C 171 178.700 178.705 -0.005 1 1 1522 . 10 1 1 A 171 171 ARG CA C 171 58.700 58.841 -0.141 1 1 1523 . 10 1 1 A 171 171 ARG CB C 171 29.100 30.008 -0.908 1 1 1524 . 10 1 1 A 171 171 ARG N N 171 117.500 119.973 -2.473 1 1 1525 . 10 1 1 A 172 172 ILE H H 172 7.700 8.133 -0.433 1 1 1526 . 10 1 1 A 172 172 ILE HA H 172 4.010 3.739 0.271 1 1 1534 . 10 1 1 A 172 172 ILE C C 172 177.600 178.505 -0.905 1 1 1535 . 10 1 1 A 172 172 ILE CA C 172 63.300 65.815 -2.515 1 1 1536 . 10 1 1 A 172 172 ILE CB C 172 37.000 38.037 -1.037 1 1 1537 . 10 1 1 A 172 172 ILE N N 172 121.000 119.711 1.289 1 1 1538 . 10 1 1 A 173 173 LEU H H 173 7.400 8.082 -0.682 1 1 1539 . 10 1 1 A 173 173 LEU HA H 173 3.740 3.939 -0.199 1 1 1548 . 10 1 1 A 173 173 LEU C C 173 179.500 179.507 -0.007 1 1 1549 . 10 1 1 A 173 173 LEU CA C 173 60.500 58.194 2.306 1 1 1550 . 10 1 1 A 173 173 LEU CB C 173 40.500 41.250 -0.750 1 1 1551 . 10 1 1 A 173 173 LEU N N 173 121.400 120.118 1.282 1 1 1552 . 10 1 1 A 174 174 GLU H H 174 8.030 8.106 -0.076 1 1 1553 . 10 1 1 A 174 174 GLU HA H 174 4.000 3.944 0.056 1 1 1557 . 10 1 1 A 174 174 GLU C C 174 180.200 178.976 1.224 1 1 1558 . 10 1 1 A 174 174 GLU CA C 174 59.200 59.359 -0.159 1 1 1559 . 10 1 1 A 174 174 GLU CB C 174 29.300 29.336 -0.036 1 1 1560 . 10 1 1 A 174 174 GLU N N 174 117.200 120.421 -3.221 1 1 1561 . 10 1 1 A 175 175 PHE H H 175 8.000 7.877 0.123 1 1 1562 . 10 1 1 A 175 175 PHE HA H 175 4.150 4.242 -0.092 1 1 1565 . 10 1 1 A 175 175 PHE C C 175 176.400 177.900 -1.500 1 1 1566 . 10 1 1 A 175 175 PHE CA C 175 60.800 61.434 -0.634 1 1 1567 . 10 1 1 A 175 175 PHE CB C 175 38.700 39.089 -0.389 1 1 1568 . 10 1 1 A 175 175 PHE N N 175 122.000 120.600 1.400 1 1 1569 . 10 1 1 A 176 176 PHE H H 176 7.510 7.740 -0.230 1 1 1570 . 10 1 1 A 176 176 PHE HA H 176 4.110 4.313 -0.203 1 1 1573 . 10 1 1 A 176 176 PHE C C 176 175.000 175.820 -0.820 1 1 1574 . 10 1 1 A 176 176 PHE CA C 176 59.300 59.794 -0.494 1 1 1575 . 10 1 1 A 176 176 PHE CB C 176 40.000 39.898 0.102 1 1 1576 . 10 1 1 A 176 176 PHE N N 176 113.100 117.944 -4.844 1 1 1577 . 10 1 1 A 177 177 GLY H H 177 8.030 7.943 0.087 1 1 1578 . 10 1 1 A 177 177 GLY HA2 H 177 3.850 3.935 -0.085 1 1 1579 . 10 1 1 A 177 177 GLY C C 177 173.900 174.371 -0.471 1 1 1580 . 10 1 1 A 177 177 GLY CA C 177 46.500 46.901 -0.401 1 1 1581 . 10 1 1 A 177 177 GLY N N 177 110.900 108.136 2.764 1 1 1582 . 10 1 1 A 178 178 LEU H H 178 7.730 7.887 -0.157 1 1 1583 . 10 1 1 A 178 178 LEU HA H 178 4.440 4.749 -0.309 1 1 1592 . 10 1 1 A 178 178 LEU C C 178 175.800 175.687 0.113 1 1 1593 . 10 1 1 A 178 178 LEU CA C 178 53.500 53.742 -0.242 1 1 1594 . 10 1 1 A 178 178 LEU CB C 178 45.900 44.471 1.429 1 1 1595 . 10 1 1 A 178 178 LEU N N 178 120.700 120.663 0.037 1 1 1596 . 10 1 1 A 179 179 LYS H H 179 8.170 8.603 -0.433 1 1 1597 . 10 1 1 A 179 179 LYS HA H 179 4.530 4.716 -0.186 1 1 1600 . 10 1 1 A 179 179 LYS C C 179 178.500 177.386 1.114 1 1 1601 . 10 1 1 A 179 179 LYS CA C 179 54.000 54.838 -0.838 1 1 1602 . 10 1 1 A 179 179 LYS CB C 179 34.100 34.926 -0.826 1 1 1603 . 10 1 1 A 179 179 LYS N N 179 119.500 122.632 -3.132 1 1 1604 . 10 1 1 A 180 180 LYS H H 180 9.110 8.891 0.219 1 1 1605 . 10 1 1 A 180 180 LYS HA H 180 3.820 4.363 -0.543 1 1 1609 . 10 1 1 A 180 180 LYS C C 180 179.600 177.685 1.915 1 1 1610 . 10 1 1 A 180 180 LYS CA C 180 60.900 59.292 1.608 1 1 1611 . 10 1 1 A 180 180 LYS CB C 180 32.100 32.245 -0.145 1 1 1612 . 10 1 1 A 180 180 LYS N N 180 124.200 120.563 3.637 1 1 1613 . 10 1 1 A 181 181 GLU H H 181 9.460 8.359 1.101 1 1 1614 . 10 1 1 A 181 181 GLU HA H 181 4.220 4.294 -0.074 1 1 1617 . 10 1 1 A 181 181 GLU C C 181 176.700 176.584 0.116 1 1 1618 . 10 1 1 A 181 181 GLU CA C 181 58.700 57.516 1.184 1 1 1619 . 10 1 1 A 181 181 GLU CB C 181 28.300 29.378 -1.078 1 1 1620 . 10 1 1 A 181 181 GLU N N 181 116.600 117.688 -1.088 1 1 1621 . 10 1 1 A 182 182 GLU H H 182 7.660 8.255 -0.595 1 1 1622 . 10 1 1 A 182 182 GLU HA H 182 4.320 4.196 0.124 1 1 1625 . 10 1 1 A 182 182 GLU C C 182 174.900 175.571 -0.671 1 1 1626 . 10 1 1 A 182 182 GLU CA C 182 55.700 56.357 -0.657 1 1 1627 . 10 1 1 A 182 182 GLU CB C 182 30.600 28.651 1.949 1 1 1628 . 10 1 1 A 182 182 GLU N N 182 118.300 119.149 -0.849 1 1 1629 . 10 1 1 A 183 183 CYS H H 183 7.090 7.957 -0.867 1 1 1630 . 10 1 1 A 183 183 CYS HA H 183 4.270 4.960 -0.690 1 1 1633 . 10 1 1 A 183 183 CYS CA C 183 58.200 56.671 1.529 1 1 1634 . 10 1 1 A 183 183 CYS CB C 183 27.400 29.089 -1.689 1 1 1635 . 10 1 1 A 183 183 CYS N N 183 117.700 119.719 -2.019 1 1 1636 . 10 1 1 A 184 184 PRO HA H 184 5.370 4.702 0.668 1 1 1637 . 10 1 1 A 184 184 PRO C C 184 174.300 175.886 -1.586 1 1 1638 . 10 1 1 A 184 184 PRO CA C 184 61.500 63.169 -1.669 1 1 1639 . 10 1 1 A 184 184 PRO CB C 184 36.000 32.583 3.417 1 1 1640 . 10 1 1 A 185 185 ALA H H 185 8.370 8.670 -0.300 1 1 1641 . 10 1 1 A 185 185 ALA HA H 185 4.790 4.864 -0.074 1 1 1645 . 10 1 1 A 185 185 ALA C C 185 174.800 174.894 -0.094 1 1 1646 . 10 1 1 A 185 185 ALA CA C 185 51.600 51.165 0.435 1 1 1647 . 10 1 1 A 185 185 ALA CB C 185 23.400 23.686 -0.286 1 1 1648 . 10 1 1 A 185 185 ALA N N 185 123.000 121.288 1.712 1 1 1649 . 10 1 1 A 186 186 VAL H H 186 8.660 8.642 0.018 1 1 1650 . 10 1 1 A 186 186 VAL HA H 186 5.710 4.606 1.104 1 1 1655 . 10 1 1 A 186 186 VAL C C 186 176.500 173.692 2.808 1 1 1656 . 10 1 1 A 186 186 VAL CA C 186 59.300 59.616 -0.316 1 1 1657 . 10 1 1 A 186 186 VAL CB C 186 35.300 33.654 1.646 1 1 1658 . 10 1 1 A 186 186 VAL N N 186 117.900 118.422 -0.522 1 1 1659 . 10 1 1 A 187 187 ARG H H 187 8.910 8.735 0.175 1 1 1660 . 10 1 1 A 187 187 ARG HA H 187 5.000 5.375 -0.375 1 1 1663 . 10 1 1 A 187 187 ARG C C 187 172.600 173.400 -0.800 1 1 1664 . 10 1 1 A 187 187 ARG CA C 187 53.000 54.138 -1.138 1 1 1665 . 10 1 1 A 187 187 ARG CB C 187 35.900 34.040 1.860 1 1 1666 . 10 1 1 A 187 187 ARG N N 187 123.000 129.621 -6.621 1 1 1667 . 10 1 1 A 188 188 LEU H H 188 8.790 9.269 -0.479 1 1 1668 . 10 1 1 A 188 188 LEU HA H 188 5.420 5.163 0.257 1 1 1677 . 10 1 1 A 188 188 LEU C C 188 174.600 174.583 0.017 1 1 1678 . 10 1 1 A 188 188 LEU CA C 188 54.300 53.291 1.009 1 1 1679 . 10 1 1 A 188 188 LEU CB C 188 47.300 45.513 1.787 1 1 1680 . 10 1 1 A 188 188 LEU N N 188 124.700 127.768 -3.068 1 1 1681 . 10 1 1 A 189 189 ILE H H 189 9.590 9.097 0.493 1 1 1682 . 10 1 1 A 189 189 ILE HA H 189 5.880 5.249 0.631 1 1 1690 . 10 1 1 A 189 189 ILE C C 189 173.500 174.825 -1.325 1 1 1691 . 10 1 1 A 189 189 ILE CA C 189 58.400 59.977 -1.577 1 1 1692 . 10 1 1 A 189 189 ILE CB C 189 43.000 40.779 2.221 1 1 1693 . 10 1 1 A 189 189 ILE N N 189 121.800 125.970 -4.170 1 1 1694 . 10 1 1 A 190 190 THR H H 190 8.750 9.702 -0.952 1 1 1695 . 10 1 1 A 190 190 THR HA H 190 5.360 5.203 0.157 1 1 1700 . 10 1 1 A 190 190 THR C C 190 174.300 173.622 0.678 1 1 1701 . 10 1 1 A 190 190 THR CA C 190 58.800 61.097 -2.297 1 1 1702 . 10 1 1 A 190 190 THR CB C 190 70.400 72.849 -2.449 1 1 1703 . 10 1 1 A 190 190 THR N N 190 114.200 124.275 -10.075 1 1 1704 . 10 1 1 A 191 191 LEU H H 191 8.610 8.639 -0.029 1 1 1705 . 10 1 1 A 191 191 LEU HA H 191 4.640 5.195 -0.555 1 1 1711 . 10 1 1 A 191 191 LEU C C 191 176.400 175.659 0.741 1 1 1712 . 10 1 1 A 191 191 LEU CA C 191 54.500 54.005 0.495 1 1 1713 . 10 1 1 A 191 191 LEU CB C 191 42.300 44.516 -2.216 1 1 1714 . 10 1 1 A 191 191 LEU N N 191 125.500 124.945 0.555 1 1 1715 . 10 1 1 A 192 192 GLU H H 192 7.540 8.517 -0.977 1 1 1716 . 10 1 1 A 192 192 GLU HA H 192 4.510 4.545 -0.035 1 1 1719 . 10 1 1 A 192 192 GLU C C 192 176.100 176.519 -0.419 1 1 1720 . 10 1 1 A 192 192 GLU CA C 192 56.300 57.489 -1.189 1 1 1721 . 10 1 1 A 192 192 GLU CB C 192 29.800 30.289 -0.489 1 1 1722 . 10 1 1 A 192 192 GLU N N 192 123.400 123.478 -0.078 1 1 1723 . 10 1 1 A 193 193 GLU H H 193 8.490 8.504 -0.014 1 1 1724 . 10 1 1 A 193 193 GLU HA H 193 4.150 4.479 -0.329 1 1 1727 . 10 1 1 A 193 193 GLU C C 193 176.700 175.318 1.382 1 1 1728 . 10 1 1 A 193 193 GLU CA C 193 59.200 56.460 2.740 1 1 1729 . 10 1 1 A 193 193 GLU CB C 193 29.000 30.974 -1.974 1 1 1730 . 10 1 1 A 193 193 GLU N N 193 122.400 122.064 0.336 1 1 1731 . 10 1 1 A 194 194 GLU H H 194 7.990 7.628 0.362 1 1 1732 . 10 1 1 A 194 194 GLU HA H 194 4.460 4.803 -0.343 1 1 1736 . 10 1 1 A 194 194 GLU C C 194 175.700 175.585 0.115 1 1 1737 . 10 1 1 A 194 194 GLU CA C 194 54.900 55.004 -0.104 1 1 1738 . 10 1 1 A 194 194 GLU CB C 194 31.400 33.825 -2.425 1 1 1739 . 10 1 1 A 194 194 GLU N N 194 116.200 116.973 -0.773 1 1 1740 . 10 1 1 A 195 195 MET H H 195 8.760 8.523 0.237 1 1 1741 . 10 1 1 A 195 195 MET HA H 195 5.050 4.574 0.476 1 1 1746 . 10 1 1 A 195 195 MET C C 195 175.900 175.837 0.063 1 1 1747 . 10 1 1 A 195 195 MET CA C 195 56.000 54.385 1.615 1 1 1748 . 10 1 1 A 195 195 MET CB C 195 33.200 31.982 1.218 1 1 1749 . 10 1 1 A 195 195 MET N N 195 123.000 120.366 2.634 1 1 1750 . 10 1 1 A 196 196 THR H H 196 8.400 8.983 -0.583 1 1 1751 . 10 1 1 A 196 196 THR HA H 196 4.400 5.258 -0.858 1 1 1756 . 10 1 1 A 196 196 THR C C 196 172.000 174.048 -2.048 1 1 1757 . 10 1 1 A 196 196 THR CA C 196 62.900 61.775 1.125 1 1 1758 . 10 1 1 A 196 196 THR CB C 196 69.800 70.140 -0.340 1 1 1759 . 10 1 1 A 196 196 THR N N 196 122.000 121.842 0.158 1 1 1760 . 10 1 1 A 197 197 LYS H H 197 8.530 9.080 -0.550 1 1 1761 . 10 1 1 A 197 197 LYS HA H 197 5.420 5.246 0.174 1 1 1764 . 10 1 1 A 197 197 LYS C C 197 174.700 174.379 0.321 1 1 1765 . 10 1 1 A 197 197 LYS CA C 197 55.000 54.722 0.278 1 1 1766 . 10 1 1 A 197 197 LYS CB C 197 35.600 36.661 -1.061 1 1 1767 . 10 1 1 A 197 197 LYS N N 197 123.900 123.714 0.186 1 1 1768 . 10 1 1 A 198 198 TYR H H 198 9.540 9.488 0.052 1 1 1769 . 10 1 1 A 198 198 TYR HA H 198 4.880 5.442 -0.562 1 1 1772 . 10 1 1 A 198 198 TYR C C 198 174.400 173.818 0.582 1 1 1773 . 10 1 1 A 198 198 TYR CA C 198 57.700 56.443 1.257 1 1 1774 . 10 1 1 A 198 198 TYR CB C 198 41.700 41.992 -0.292 1 1 1775 . 10 1 1 A 198 198 TYR N N 198 117.900 123.241 -5.341 1 1 1776 . 10 1 1 A 199 199 LYS H H 199 9.290 8.286 1.004 1 1 1777 . 10 1 1 A 199 199 LYS HA H 199 5.070 4.704 0.366 1 1 1781 . 10 1 1 A 199 199 LYS CA C 199 52.500 53.062 -0.562 1 1 1782 . 10 1 1 A 199 199 LYS CB C 199 35.400 32.652 2.748 1 1 1783 . 10 1 1 A 199 199 LYS N N 199 122.600 127.002 -4.402 1 1 1784 . 10 1 1 A 200 200 PRO HA H 200 4.120 4.565 -0.445 1 1 1785 . 10 1 1 A 200 200 PRO C C 200 176.700 176.182 0.518 1 1 1786 . 10 1 1 A 200 200 PRO CA C 200 62.000 62.378 -0.378 1 1 1787 . 10 1 1 A 200 200 PRO CB C 200 31.200 33.404 -2.204 1 1 1788 . 10 1 1 A 201 201 GLU H H 201 9.010 8.925 0.085 1 1 1789 . 10 1 1 A 201 201 GLU HA H 201 4.110 4.609 -0.499 1 1 1793 . 10 1 1 A 201 201 GLU C C 201 176.100 175.743 0.357 1 1 1794 . 10 1 1 A 201 201 GLU CA C 201 57.600 57.353 0.247 1 1 1795 . 10 1 1 A 201 201 GLU CB C 201 30.400 32.697 -2.297 1 1 1796 . 10 1 1 A 201 201 GLU N N 201 119.700 119.148 0.552 1 1 1797 . 10 1 1 A 202 202 SER H H 202 7.570 8.318 -0.748 1 1 1798 . 10 1 1 A 202 202 SER HA H 202 4.650 4.986 -0.336 1 1 1801 . 10 1 1 A 202 202 SER C C 202 174.400 174.076 0.324 1 1 1802 . 10 1 1 A 202 202 SER CA C 202 56.400 57.928 -1.528 1 1 1803 . 10 1 1 A 202 202 SER CB C 202 65.100 65.594 -0.494 1 1 1804 . 10 1 1 A 202 202 SER N N 202 111.900 114.667 -2.767 1 1 1805 . 10 1 1 A 203 203 GLU H H 203 8.790 8.775 0.015 1 1 1806 . 10 1 1 A 203 203 GLU HA H 203 4.370 4.472 -0.102 1 1 1809 . 10 1 1 A 203 203 GLU C C 203 176.100 175.789 0.311 1 1 1810 . 10 1 1 A 203 203 GLU CA C 203 56.200 56.021 0.179 1 1 1811 . 10 1 1 A 203 203 GLU CB C 203 29.500 30.244 -0.744 1 1 1812 . 10 1 1 A 203 203 GLU N N 203 122.800 126.518 -3.718 1 1 1813 . 10 1 1 A 204 204 GLU H H 204 8.030 8.714 -0.684 1 1 1814 . 10 1 1 A 204 204 GLU HA H 204 4.110 4.671 -0.561 1 1 1817 . 10 1 1 A 204 204 GLU C C 204 176.300 175.498 0.802 1 1 1818 . 10 1 1 A 204 204 GLU CA C 204 57.300 56.476 0.824 1 1 1819 . 10 1 1 A 204 204 GLU CB C 204 31.100 31.088 0.012 1 1 1820 . 10 1 1 A 204 204 GLU N N 204 120.700 118.584 2.116 1 1 1821 . 10 1 1 A 205 205 LEU H H 205 8.690 8.377 0.313 1 1 1822 . 10 1 1 A 205 205 LEU HA H 205 4.580 5.056 -0.476 1 1 1831 . 10 1 1 A 205 205 LEU C C 205 176.300 177.159 -0.859 1 1 1832 . 10 1 1 A 205 205 LEU CA C 205 53.100 53.399 -0.299 1 1 1833 . 10 1 1 A 205 205 LEU CB C 205 41.100 45.288 -4.188 1 1 1834 . 10 1 1 A 205 205 LEU N N 205 125.500 122.421 3.079 1 1 1835 . 10 1 1 A 206 206 THR H H 206 6.800 8.876 -2.076 1 1 1836 . 10 1 1 A 206 206 THR HA H 206 4.370 3.925 0.445 1 1 1841 . 10 1 1 A 206 206 THR C C 206 175.200 176.155 -0.955 1 1 1842 . 10 1 1 A 206 206 THR CA C 206 59.400 66.042 -6.642 1 1 1843 . 10 1 1 A 206 206 THR CB C 206 70.400 69.103 1.297 1 1 1844 . 10 1 1 A 206 206 THR N N 206 108.200 120.946 -12.746 1 1 1845 . 10 1 1 A 207 207 ALA H H 207 9.320 8.383 0.937 1 1 1846 . 10 1 1 A 207 207 ALA HA H 207 4.010 4.091 -0.081 1 1 1850 . 10 1 1 A 207 207 ALA C C 207 180.800 179.890 0.910 1 1 1851 . 10 1 1 A 207 207 ALA CA C 207 56.000 55.169 0.831 1 1 1852 . 10 1 1 A 207 207 ALA CB C 207 18.200 18.176 0.024 1 1 1853 . 10 1 1 A 207 207 ALA N N 207 125.300 122.064 3.236 1 1 1854 . 10 1 1 A 208 208 GLU H H 208 9.390 8.235 1.155 1 1 1855 . 10 1 1 A 208 208 GLU HA H 208 4.050 4.027 0.023 1 1 1859 . 10 1 1 A 208 208 GLU C C 208 179.100 178.874 0.226 1 1 1860 . 10 1 1 A 208 208 GLU CA C 208 60.200 59.374 0.826 1 1 1861 . 10 1 1 A 208 208 GLU CB C 208 29.100 29.122 -0.022 1 1 1862 . 10 1 1 A 208 208 GLU N N 208 118.500 119.044 -0.544 1 1 1863 . 10 1 1 A 209 209 ARG H H 209 7.700 8.835 -1.135 1 1 1864 . 10 1 1 A 209 209 ARG HA H 209 4.230 4.153 0.077 1 1 1867 . 10 1 1 A 209 209 ARG C C 209 180.000 178.595 1.405 1 1 1868 . 10 1 1 A 209 209 ARG CA C 209 57.900 58.858 -0.958 1 1 1869 . 10 1 1 A 209 209 ARG CB C 209 30.100 30.043 0.057 1 1 1870 . 10 1 1 A 209 209 ARG N N 209 119.700 120.157 -0.457 1 1 1871 . 10 1 1 A 210 210 ILE H H 210 8.540 7.641 0.899 1 1 1872 . 10 1 1 A 210 210 ILE HA H 210 3.950 3.860 0.090 1 1 1880 . 10 1 1 A 210 210 ILE C C 210 178.000 178.282 -0.282 1 1 1881 . 10 1 1 A 210 210 ILE CA C 210 65.400 64.346 1.054 1 1 1882 . 10 1 1 A 210 210 ILE CB C 210 38.300 37.396 0.904 1 1 1883 . 10 1 1 A 210 210 ILE N N 210 122.000 118.644 3.356 1 1 1884 . 10 1 1 A 211 211 THR H H 211 8.620 8.326 0.294 1 1 1885 . 10 1 1 A 211 211 THR HA H 211 4.040 3.930 0.110 1 1 1890 . 10 1 1 A 211 211 THR C C 211 175.300 176.208 -0.908 1 1 1891 . 10 1 1 A 211 211 THR CA C 211 67.800 66.639 1.161 1 1 1892 . 10 1 1 A 211 211 THR CB C 211 68.300 68.422 -0.122 1 1 1893 . 10 1 1 A 211 211 THR N N 211 117.100 117.746 -0.646 1 1 1894 . 10 1 1 A 212 212 GLU H H 212 8.050 7.911 0.139 1 1 1895 . 10 1 1 A 212 212 GLU HA H 212 4.280 3.869 0.411 1 1 1898 . 10 1 1 A 212 212 GLU C C 212 177.200 179.212 -2.012 1 1 1899 . 10 1 1 A 212 212 GLU CA C 212 59.700 59.384 0.316 1 1 1900 . 10 1 1 A 212 212 GLU CB C 212 30.300 29.366 0.934 1 1 1901 . 10 1 1 A 212 212 GLU N N 212 121.600 121.214 0.386 1 1 1902 . 10 1 1 A 213 213 PHE H H 213 7.890 8.113 -0.223 1 1 1903 . 10 1 1 A 213 213 PHE HA H 213 4.620 4.265 0.355 1 1 1906 . 10 1 1 A 213 213 PHE C C 213 176.300 178.192 -1.892 1 1 1907 . 10 1 1 A 213 213 PHE CA C 213 59.300 60.727 -1.427 1 1 1908 . 10 1 1 A 213 213 PHE CB C 213 38.700 38.258 0.442 1 1 1909 . 10 1 1 A 213 213 PHE N N 213 119.700 119.170 0.530 1 1 1910 . 10 1 1 A 214 214 CYS H H 214 7.700 7.829 -0.129 1 1 1911 . 10 1 1 A 214 214 CYS HA H 214 3.260 3.868 -0.608 1 1 1914 . 10 1 1 A 214 214 CYS C C 214 177.000 177.542 -0.542 1 1 1915 . 10 1 1 A 214 214 CYS CA C 214 64.500 62.844 1.656 1 1 1916 . 10 1 1 A 214 214 CYS CB C 214 27.400 26.139 1.261 1 1 1917 . 10 1 1 A 214 214 CYS N N 214 116.000 118.072 -2.072 1 1 1918 . 10 1 1 A 215 215 HIS H H 215 8.640 8.458 0.182 1 1 1919 . 10 1 1 A 215 215 HIS HA H 215 4.500 4.337 0.163 1 1 1922 . 10 1 1 A 215 215 HIS C C 215 178.100 177.552 0.548 1 1 1923 . 10 1 1 A 215 215 HIS CA C 215 60.300 60.381 -0.081 1 1 1924 . 10 1 1 A 215 215 HIS CB C 215 30.300 29.813 0.487 1 1 1925 . 10 1 1 A 215 215 HIS N N 215 118.100 119.299 -1.199 1 1 1926 . 10 1 1 A 216 216 ARG H H 216 8.730 8.079 0.651 1 1 1927 . 10 1 1 A 216 216 ARG HA H 216 3.920 3.960 -0.040 1 1 1930 . 10 1 1 A 216 216 ARG C C 216 179.100 179.056 0.044 1 1 1931 . 10 1 1 A 216 216 ARG CA C 216 59.800 59.705 0.095 1 1 1932 . 10 1 1 A 216 216 ARG CB C 216 30.100 29.642 0.458 1 1 1933 . 10 1 1 A 216 216 ARG N N 216 118.700 117.684 1.016 1 1 1934 . 10 1 1 A 217 217 PHE H H 217 8.390 7.947 0.443 1 1 1935 . 10 1 1 A 217 217 PHE HA H 217 3.970 4.157 -0.187 1 1 1938 . 10 1 1 A 217 217 PHE C C 217 179.200 177.135 2.065 1 1 1939 . 10 1 1 A 217 217 PHE CA C 217 60.700 61.241 -0.541 1 1 1940 . 10 1 1 A 217 217 PHE CB C 217 37.800 39.211 -1.411 1 1 1941 . 10 1 1 A 217 217 PHE N N 217 120.600 121.120 -0.520 1 1 1942 . 10 1 1 A 218 218 LEU H H 218 8.250 8.359 -0.109 1 1 1943 . 10 1 1 A 218 218 LEU HA H 218 3.500 4.142 -0.642 1 1 1953 . 10 1 1 A 218 218 LEU C C 218 178.800 177.886 0.914 1 1 1954 . 10 1 1 A 218 218 LEU CA C 218 57.400 56.955 0.445 1 1 1955 . 10 1 1 A 218 218 LEU CB C 218 41.300 41.529 -0.229 1 1 1956 . 10 1 1 A 218 218 LEU N N 218 123.500 119.000 4.500 1 1 1957 . 10 1 1 A 219 219 GLU H H 219 7.770 7.844 -0.074 1 1 1958 . 10 1 1 A 219 219 GLU HA H 219 4.200 4.410 -0.210 1 1 1963 . 10 1 1 A 219 219 GLU C C 219 176.800 176.755 0.045 1 1 1964 . 10 1 1 A 219 219 GLU CA C 219 56.200 56.400 -0.200 1 1 1965 . 10 1 1 A 219 219 GLU CB C 219 30.600 30.097 0.503 1 1 1966 . 10 1 1 A 219 219 GLU N N 219 116.400 117.326 -0.926 1 1 1967 . 10 1 1 A 220 220 GLY H H 220 7.720 7.633 0.087 1 1 1968 . 10 1 1 A 220 220 GLY HA2 H 220 3.890 3.885 0.005 1 1 1969 . 10 1 1 A 220 220 GLY HA3 H 220 3.960 3.915 0.045 1 1 1970 . 10 1 1 A 220 220 GLY C C 220 176.300 174.558 1.742 1 1 1971 . 10 1 1 A 220 220 GLY CA C 220 46.300 46.413 -0.113 1 1 1972 . 10 1 1 A 220 220 GLY N N 220 108.600 108.603 -0.003 1 1 1973 . 10 1 1 A 221 221 LYS H H 221 8.000 7.547 0.453 1 1 1974 . 10 1 1 A 221 221 LYS HA H 221 4.320 4.262 0.058 1 1 1978 . 10 1 1 A 221 221 LYS C C 221 175.900 175.853 0.047 1 1 1979 . 10 1 1 A 221 221 LYS CA C 221 56.100 55.862 0.238 1 1 1980 . 10 1 1 A 221 221 LYS CB C 221 33.700 33.465 0.235 1 1 1981 . 10 1 1 A 221 221 LYS N N 221 116.600 121.534 -4.934 1 1 1982 . 10 1 1 A 222 222 ILE H H 222 7.910 8.401 -0.491 1 1 1983 . 10 1 1 A 222 222 ILE HA H 222 4.570 4.142 0.428 1 1 1992 . 10 1 1 A 222 222 ILE C C 222 175.400 175.501 -0.101 1 1 1993 . 10 1 1 A 222 222 ILE CA C 222 59.200 60.249 -1.049 1 1 1994 . 10 1 1 A 222 222 ILE CB C 222 38.800 39.214 -0.414 1 1 1995 . 10 1 1 A 222 222 ILE N N 222 118.900 120.344 -1.444 1 1 1996 . 10 1 1 A 223 223 LYS H H 223 8.760 8.283 0.477 1 1 1997 . 10 1 1 A 223 223 LYS HA H 223 4.570 4.430 0.140 1 1 2000 . 10 1 1 A 223 223 LYS CA C 223 54.300 53.954 0.346 1 1 2001 . 10 1 1 A 223 223 LYS CB C 223 32.000 33.304 -1.304 1 1 2002 . 10 1 1 A 223 223 LYS N N 223 127.700 125.304 2.396 1 1 2003 . 10 1 1 A 224 224 PRO C C 224 175.900 177.132 -1.232 1 1 2004 . 10 1 1 A 224 224 PRO CA C 224 63.000 65.648 -2.648 1 1 2005 . 10 1 1 A 224 224 PRO CB C 224 32.300 31.869 0.431 1 1 2006 . 10 1 1 A 225 225 HIS H H 225 8.770 8.101 0.669 1 1 2007 . 10 1 1 A 225 225 HIS C C 225 174.700 173.613 1.087 1 1 2008 . 10 1 1 A 225 225 HIS CA C 225 55.800 57.591 -1.791 1 1 2009 . 10 1 1 A 225 225 HIS CB C 225 31.100 29.056 2.044 1 1 2010 . 10 1 1 A 225 225 HIS N N 225 121.800 115.509 6.291 1 1 2011 . 10 1 1 A 226 226 LEU H H 226 8.160 8.512 -0.352 1 1 2012 . 10 1 1 A 226 226 LEU C C 226 176.400 175.142 1.258 1 1 2013 . 10 1 1 A 226 226 LEU CA C 226 54.500 54.100 0.400 1 1 2014 . 10 1 1 A 226 226 LEU CB C 226 42.300 42.968 -0.668 1 1 2015 . 10 1 1 A 226 226 LEU N N 226 127.000 124.284 2.716 1 1 2016 . 10 1 1 A 227 227 MET H H 227 7.980 8.512 -0.532 1 1 2017 . 10 1 1 A 227 227 MET C C 227 175.100 176.173 -1.073 1 1 2018 . 10 1 1 A 227 227 MET CA C 227 55.400 55.660 -0.260 1 1 2019 . 10 1 1 A 227 227 MET CB C 227 33.000 32.502 0.498 1 1 2020 . 10 1 1 A 227 227 MET N N 227 120.800 127.021 -6.221 1 1 2025 . 10 2 1 A 2 2 PRO C C 2 176.900 177.305 -0.405 1 1 2026 . 10 2 1 A 2 2 PRO CA C 2 63.300 62.199 1.101 1 1 2027 . 10 2 1 A 2 2 PRO CB C 2 32.200 29.121 3.079 1 1 2028 . 10 2 1 A 3 3 LEU H H 3 8.510 8.595 -0.085 1 1 2029 . 10 2 1 A 3 3 LEU C C 3 177.700 177.369 0.331 1 1 2030 . 10 2 1 A 3 3 LEU CA C 3 55.300 56.167 -0.867 1 1 2031 . 10 2 1 A 3 3 LEU CB C 3 42.100 42.269 -0.169 1 1 2032 . 10 2 1 A 3 3 LEU N N 3 121.400 126.064 -4.664 1 1 2033 . 10 2 1 A 4 4 GLY H H 4 8.190 7.406 0.784 1 1 2034 . 10 2 1 A 4 4 GLY C C 4 172.900 172.505 0.395 1 1 2035 . 10 2 1 A 4 4 GLY CA C 4 45.200 45.793 -0.593 1 1 2036 . 10 2 1 A 4 4 GLY N N 4 109.400 107.227 2.173 1 1 2037 . 10 2 1 A 5 5 SER H H 5 7.830 8.712 -0.882 1 1 2038 . 10 2 1 A 5 5 SER CA C 5 55.500 55.409 0.091 1 1 2039 . 10 2 1 A 5 5 SER CB C 5 64.100 65.899 -1.799 1 1 2040 . 10 2 1 A 5 5 SER N N 5 115.400 117.638 -2.238 1 1 2041 . 10 2 1 A 221 221 LYS C C 221 176.800 175.853 0.947 1 1 2042 . 10 2 1 A 221 221 LYS CA C 221 56.100 55.862 0.238 1 1 2043 . 10 2 1 A 221 221 LYS CB C 221 32.500 33.465 -0.965 1 1 2044 . 10 2 1 A 222 222 ILE H H 222 7.630 8.401 -0.771 1 1 2045 . 10 2 1 A 222 222 ILE C C 222 175.800 175.501 0.299 1 1 2046 . 10 2 1 A 222 222 ILE CA C 222 61.300 60.249 1.051 1 1 2047 . 10 2 1 A 222 222 ILE CB C 222 38.500 39.214 -0.714 1 1 2048 . 10 2 1 A 222 222 ILE N N 222 118.900 120.344 -1.444 1 1 2049 . 10 2 1 A 223 223 LYS H H 223 8.080 8.283 -0.203 1 1 2050 . 10 2 1 A 223 223 LYS CA C 223 54.300 53.954 0.346 1 1 2051 . 10 2 1 A 223 223 LYS CB C 223 32.400 33.304 -0.904 1 1 2052 . 10 2 1 A 223 223 LYS N N 223 125.500 125.304 0.196 1 1 2053 . 10 2 1 A 224 224 PRO C C 224 176.700 177.132 -0.432 1 1 2054 . 10 2 1 A 224 224 PRO CA C 224 63.400 65.648 -2.248 1 1 2055 . 10 2 1 A 224 224 PRO CB C 224 31.800 31.869 -0.069 1 1 2056 . 10 2 1 A 225 225 HIS H H 225 8.330 8.101 0.229 1 1 2057 . 10 2 1 A 225 225 HIS C C 225 175.000 173.613 1.387 1 1 2058 . 10 2 1 A 225 225 HIS CA C 225 56.100 57.591 -1.491 1 1 2059 . 10 2 1 A 225 225 HIS CB C 225 30.300 29.056 1.244 1 1 2060 . 10 2 1 A 225 225 HIS N N 225 119.000 115.509 3.491 1 1 2061 . 10 2 1 A 226 226 LEU H H 226 8.030 8.512 -0.482 1 1 2062 . 10 2 1 A 226 226 LEU C C 226 176.800 175.142 1.658 1 1 2063 . 10 2 1 A 226 226 LEU CA C 226 55.000 54.100 0.900 1 1 2064 . 10 2 1 A 226 226 LEU CB C 226 42.300 42.968 -0.668 1 1 2065 . 10 2 1 A 226 226 LEU N N 226 123.200 124.284 -1.084 1 1 2066 . 10 2 1 A 227 227 MET H H 227 8.280 8.512 -0.232 1 1 2067 . 10 2 1 A 227 227 MET CA C 227 55.300 55.660 -0.360 1 1 2068 . 10 2 1 A 227 227 MET CB C 227 32.900 32.502 0.398 1 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 223 1.252 1 2 1 1 1 "RMS(OBS, PRED)" CA 237 1.307 1 3 1 1 1 "RMS(OBS, PRED)" CB 223 1.364 1 4 1 1 1 "RMS(OBS, PRED)" H 222 0.642 1 5 1 1 1 "RMS(OBS, PRED)" HA 230 0.437 1 6 1 1 1 "RMS(OBS, PRED)" N 221 3.140 1 7 1 2 1 "RMS(OBS, PRED)" C 223 1.236 1 8 1 2 1 "RMS(OBS, PRED)" CA 237 1.235 1 9 1 2 1 "RMS(OBS, PRED)" CB 223 1.289 1 10 1 2 1 "RMS(OBS, PRED)" H 222 0.649 1 11 1 2 1 "RMS(OBS, PRED)" HA 230 0.432 1 12 1 2 1 "RMS(OBS, PRED)" N 221 3.185 1 13 1 3 1 "RMS(OBS, PRED)" C 223 1.189 1 14 1 3 1 "RMS(OBS, PRED)" CA 237 1.235 1 15 1 3 1 "RMS(OBS, PRED)" CB 223 1.289 1 16 1 3 1 "RMS(OBS, PRED)" H 222 0.643 1 17 1 3 1 "RMS(OBS, PRED)" HA 230 0.443 1 18 1 3 1 "RMS(OBS, PRED)" N 221 3.158 1 19 1 4 1 "RMS(OBS, PRED)" C 223 1.202 1 20 1 4 1 "RMS(OBS, PRED)" CA 237 1.187 1 21 1 4 1 "RMS(OBS, PRED)" CB 223 1.376 1 22 1 4 1 "RMS(OBS, PRED)" H 222 0.621 1 23 1 4 1 "RMS(OBS, PRED)" HA 230 0.421 1 24 1 4 1 "RMS(OBS, PRED)" N 221 2.933 1 25 1 5 1 "RMS(OBS, PRED)" C 223 1.259 1 26 1 5 1 "RMS(OBS, PRED)" CA 237 1.270 1 27 1 5 1 "RMS(OBS, PRED)" CB 223 1.370 1 28 1 5 1 "RMS(OBS, PRED)" H 222 0.637 1 29 1 5 1 "RMS(OBS, PRED)" HA 230 0.446 1 30 1 5 1 "RMS(OBS, PRED)" N 221 3.122 1 31 1 6 1 "RMS(OBS, PRED)" C 223 1.207 1 32 1 6 1 "RMS(OBS, PRED)" CA 237 1.291 1 33 1 6 1 "RMS(OBS, PRED)" CB 223 1.378 1 34 1 6 1 "RMS(OBS, PRED)" H 222 0.641 1 35 1 6 1 "RMS(OBS, PRED)" HA 230 0.444 1 36 1 6 1 "RMS(OBS, PRED)" N 221 3.060 1 37 1 7 1 "RMS(OBS, PRED)" C 223 1.271 1 38 1 7 1 "RMS(OBS, PRED)" CA 237 1.268 1 39 1 7 1 "RMS(OBS, PRED)" CB 223 1.324 1 40 1 7 1 "RMS(OBS, PRED)" H 222 0.657 1 41 1 7 1 "RMS(OBS, PRED)" HA 230 0.436 1 42 1 7 1 "RMS(OBS, PRED)" N 221 3.154 1 43 1 8 1 "RMS(OBS, PRED)" C 223 1.281 1 44 1 8 1 "RMS(OBS, PRED)" CA 237 1.287 1 45 1 8 1 "RMS(OBS, PRED)" CB 223 1.302 1 46 1 8 1 "RMS(OBS, PRED)" H 222 0.648 1 47 1 8 1 "RMS(OBS, PRED)" HA 230 0.447 1 48 1 8 1 "RMS(OBS, PRED)" N 221 3.056 1 49 1 9 1 "RMS(OBS, PRED)" C 223 1.295 1 50 1 9 1 "RMS(OBS, PRED)" CA 237 1.250 1 51 1 9 1 "RMS(OBS, PRED)" CB 223 1.378 1 52 1 9 1 "RMS(OBS, PRED)" H 222 0.665 1 53 1 9 1 "RMS(OBS, PRED)" HA 230 0.441 1 54 1 9 1 "RMS(OBS, PRED)" N 221 3.155 1 55 1 10 1 "RMS(OBS, PRED)" C 223 1.209 1 56 1 10 1 "RMS(OBS, PRED)" CA 237 1.287 1 57 1 10 1 "RMS(OBS, PRED)" CB 223 1.323 1 58 1 10 1 "RMS(OBS, PRED)" H 222 0.622 1 59 1 10 1 "RMS(OBS, PRED)" HA 230 0.430 1 60 1 10 1 "RMS(OBS, PRED)" N 221 3.111 1 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.Conformer_type "average" _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.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_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.Entity_delta_chem_shifts_ID 1 5 . 1 1 A 3 3 LEU HA H 3 4.320 4.649 -0.330 2 1 15 . 1 1 A 4 4 GLY HA2 H 4 3.900 4.085 -0.186 2 1 16 . 1 1 A 4 4 GLY HA3 H 4 4.020 4.086 -0.066 2 1 21 . 1 1 A 5 5 SER HA H 5 4.010 4.957 -0.947 2 1 26 . 1 1 A 6 6 PRO HA H 6 4.450 4.505 -0.055 2 1 29 . 1 1 A 6 6 PRO C C 6 176.700 177.336 -0.636 2 1 30 . 1 1 A 6 6 PRO CA C 6 63.000 62.929 0.071 2 1 31 . 1 1 A 6 6 PRO CB C 6 32.000 32.319 -0.319 2 1 32 . 1 1 A 7 7 ALA H H 7 8.560 8.493 0.067 2 1 33 . 1 1 A 7 7 ALA HA H 7 4.100 4.138 -0.038 2 1 37 . 1 1 A 7 7 ALA C C 7 176.600 177.353 -0.753 2 1 38 . 1 1 A 7 7 ALA CA C 7 53.400 54.413 -1.013 2 1 39 . 1 1 A 7 7 ALA CB C 7 19.600 18.982 0.618 2 1 40 . 1 1 A 7 7 ALA N N 7 123.600 124.816 -1.216 2 1 41 . 1 1 A 8 8 ALA H H 8 7.410 7.548 -0.138 2 1 42 . 1 1 A 8 8 ALA HA H 8 4.680 5.601 -0.921 2 1 46 . 1 1 A 8 8 ALA C C 8 175.900 176.109 -0.209 2 1 47 . 1 1 A 8 8 ALA CA C 8 50.100 50.507 -0.407 2 1 48 . 1 1 A 8 8 ALA CB C 8 21.300 20.922 0.378 2 1 49 . 1 1 A 8 8 ALA N N 8 116.200 119.668 -3.468 2 1 50 . 1 1 A 9 9 THR H H 9 8.670 9.487 -0.817 2 1 51 . 1 1 A 9 9 THR HA H 9 4.330 5.097 -0.767 2 1 56 . 1 1 A 9 9 THR C C 9 174.400 173.641 0.759 2 1 57 . 1 1 A 9 9 THR CA C 9 62.600 61.166 1.433 2 1 58 . 1 1 A 9 9 THR CB C 9 70.100 70.576 -0.476 2 1 59 . 1 1 A 9 9 THR N N 9 119.900 117.588 2.312 2 1 60 . 1 1 A 10 10 THR H H 10 9.000 8.873 0.127 2 1 61 . 1 1 A 10 10 THR HA H 10 4.580 5.556 -0.976 2 1 66 . 1 1 A 10 10 THR C C 10 174.100 173.765 0.335 2 1 67 . 1 1 A 10 10 THR CA C 10 63.900 60.502 3.398 2 1 68 . 1 1 A 10 10 THR CB C 10 68.500 70.093 -1.593 2 1 69 . 1 1 A 10 10 THR N N 10 125.900 119.801 6.099 2 1 70 . 1 1 A 11 11 LEU H H 11 9.010 8.633 0.377 2 1 71 . 1 1 A 11 11 LEU HA H 11 4.970 4.713 0.257 2 1 77 . 1 1 A 11 11 LEU CA C 11 50.200 52.291 -2.091 2 1 78 . 1 1 A 11 11 LEU CB C 11 41.700 42.658 -0.958 2 1 79 . 1 1 A 11 11 LEU N N 11 127.200 124.620 2.580 2 1 80 . 1 1 A 12 12 PRO HA H 12 4.520 4.525 -0.005 2 1 83 . 1 1 A 12 12 PRO C C 12 175.300 175.618 -0.318 2 1 84 . 1 1 A 12 12 PRO CA C 12 63.900 63.958 -0.058 2 1 85 . 1 1 A 12 12 PRO CB C 12 32.700 31.865 0.835 2 1 86 . 1 1 A 13 13 ASP H H 13 7.110 7.592 -0.482 2 1 87 . 1 1 A 13 13 ASP HA H 13 4.420 4.858 -0.438 2 1 90 . 1 1 A 13 13 ASP C C 13 175.400 176.388 -0.988 2 1 91 . 1 1 A 13 13 ASP CA C 13 52.300 53.048 -0.748 2 1 92 . 1 1 A 13 13 ASP CB C 13 42.000 44.121 -2.121 2 1 93 . 1 1 A 13 13 ASP N N 13 112.100 116.737 -4.637 2 1 94 . 1 1 A 14 14 GLY H H 14 9.120 9.114 0.006 2 1 95 . 1 1 A 14 14 GLY HA2 H 14 3.610 3.786 -0.176 2 1 96 . 1 1 A 14 14 GLY HA3 H 14 4.010 3.799 0.211 2 1 97 . 1 1 A 14 14 GLY C C 14 175.100 175.917 -0.817 2 1 98 . 1 1 A 14 14 GLY CA C 14 47.400 47.477 -0.077 2 1 99 . 1 1 A 14 14 GLY N N 14 106.600 110.072 -3.472 2 1 100 . 1 1 A 15 15 ALA H H 15 8.050 8.056 -0.006 2 1 101 . 1 1 A 15 15 ALA HA H 15 4.170 4.037 0.133 2 1 105 . 1 1 A 15 15 ALA C C 15 180.500 179.762 0.738 2 1 106 . 1 1 A 15 15 ALA CA C 15 54.800 54.643 0.157 2 1 107 . 1 1 A 15 15 ALA CB C 15 17.600 18.052 -0.452 2 1 108 . 1 1 A 15 15 ALA N N 15 125.100 124.609 0.491 2 1 109 . 1 1 A 16 16 ALA H H 16 8.260 7.958 0.302 2 1 110 . 1 1 A 16 16 ALA HA H 16 4.170 4.069 0.101 2 1 114 . 1 1 A 16 16 ALA C C 16 180.500 179.424 1.076 2 1 115 . 1 1 A 16 16 ALA CA C 16 54.500 54.895 -0.395 2 1 116 . 1 1 A 16 16 ALA CB C 16 18.600 18.303 0.297 2 1 117 . 1 1 A 16 16 ALA N N 16 121.600 119.728 1.872 2 1 118 . 1 1 A 17 17 ALA H H 17 7.600 8.139 -0.539 2 1 119 . 1 1 A 17 17 ALA HA H 17 3.990 3.935 0.055 2 1 123 . 1 1 A 17 17 ALA C C 17 177.200 179.775 -2.575 2 1 124 . 1 1 A 17 17 ALA CA C 17 55.400 55.353 0.047 2 1 125 . 1 1 A 17 17 ALA CB C 17 18.700 18.134 0.566 2 1 126 . 1 1 A 17 17 ALA N N 17 120.600 120.334 0.266 2 1 127 . 1 1 A 18 18 GLU H H 18 8.450 7.916 0.534 2 1 128 . 1 1 A 18 18 GLU HA H 18 3.790 4.021 -0.231 2 1 132 . 1 1 A 18 18 GLU C C 18 178.800 178.878 -0.078 2 1 133 . 1 1 A 18 18 GLU CA C 18 59.200 59.130 0.070 2 1 134 . 1 1 A 18 18 GLU CB C 18 29.500 29.392 0.109 2 1 135 . 1 1 A 18 18 GLU N N 18 117.100 117.558 -0.458 2 1 136 . 1 1 A 19 19 SER H H 19 7.920 7.598 0.322 2 1 137 . 1 1 A 19 19 SER HA H 19 4.150 4.128 0.022 2 1 139 . 1 1 A 19 19 SER C C 19 176.800 176.745 0.055 2 1 140 . 1 1 A 19 19 SER CA C 19 61.300 61.990 -0.690 2 1 141 . 1 1 A 19 19 SER CB C 19 62.400 63.153 -0.753 2 1 142 . 1 1 A 19 19 SER N N 19 112.800 116.525 -3.725 2 1 143 . 1 1 A 20 20 LEU H H 20 7.460 7.576 -0.116 2 1 144 . 1 1 A 20 20 LEU HA H 20 4.020 3.929 0.091 2 1 153 . 1 1 A 20 20 LEU C C 20 179.200 179.003 0.197 2 1 154 . 1 1 A 20 20 LEU CA C 20 58.400 58.015 0.385 2 1 155 . 1 1 A 20 20 LEU CB C 20 41.600 41.230 0.370 2 1 156 . 1 1 A 20 20 LEU N N 20 123.000 119.470 3.530 2 1 157 . 1 1 A 21 21 VAL H H 21 7.980 7.876 0.104 2 1 158 . 1 1 A 21 21 VAL HA H 21 3.090 3.461 -0.371 2 1 166 . 1 1 A 21 21 VAL C C 21 177.600 177.998 -0.398 2 1 167 . 1 1 A 21 21 VAL CA C 21 66.800 66.640 0.160 2 1 168 . 1 1 A 21 21 VAL CB C 21 31.600 31.635 -0.035 2 1 169 . 1 1 A 21 21 VAL N N 21 119.500 120.093 -0.593 2 1 170 . 1 1 A 22 22 GLU H H 22 8.180 8.978 -0.798 2 1 171 . 1 1 A 22 22 GLU HA H 22 4.040 4.000 0.040 2 1 174 . 1 1 A 22 22 GLU C C 22 178.700 178.546 0.154 2 1 175 . 1 1 A 22 22 GLU CA C 22 58.000 59.420 -1.420 2 1 176 . 1 1 A 22 22 GLU CB C 22 29.500 29.314 0.186 2 1 177 . 1 1 A 22 22 GLU N N 22 114.800 119.881 -5.081 2 1 178 . 1 1 A 23 23 SER H H 23 7.570 7.580 -0.010 2 1 179 . 1 1 A 23 23 SER HA H 23 4.360 4.356 0.005 2 1 182 . 1 1 A 23 23 SER C C 23 173.700 174.081 -0.381 2 1 183 . 1 1 A 23 23 SER CA C 23 59.800 59.881 -0.081 2 1 184 . 1 1 A 23 23 SER CB C 23 64.000 63.249 0.751 2 1 185 . 1 1 A 23 23 SER N N 23 112.500 114.371 -1.871 2 1 186 . 1 1 A 24 24 SER H H 24 7.080 8.594 -1.514 2 1 187 . 1 1 A 24 24 SER HA H 24 4.800 4.703 0.097 2 1 190 . 1 1 A 24 24 SER C C 24 172.800 174.232 -1.432 2 1 191 . 1 1 A 24 24 SER CA C 24 57.200 57.295 -0.095 2 1 192 . 1 1 A 24 24 SER CB C 24 65.400 65.826 -0.426 2 1 193 . 1 1 A 24 24 SER N N 24 115.400 114.177 1.224 2 1 194 . 1 1 A 25 25 GLU H H 25 8.700 8.725 -0.025 2 1 195 . 1 1 A 25 25 GLU HA H 25 3.970 4.045 -0.075 2 1 199 . 1 1 A 25 25 GLU C C 25 175.700 176.214 -0.514 2 1 200 . 1 1 A 25 25 GLU CA C 25 59.900 59.757 0.143 2 1 201 . 1 1 A 25 25 GLU CB C 25 30.300 29.374 0.926 2 1 202 . 1 1 A 25 25 GLU N N 25 124.500 125.480 -0.980 2 1 203 . 1 1 A 26 26 VAL H H 26 7.320 7.958 -0.638 2 1 204 . 1 1 A 26 26 VAL HA H 26 5.000 4.738 0.262 2 1 212 . 1 1 A 26 26 VAL C C 26 174.300 174.110 0.190 2 1 213 . 1 1 A 26 26 VAL CA C 26 60.500 60.230 0.271 2 1 214 . 1 1 A 26 26 VAL CB C 26 35.700 35.263 0.438 2 1 215 . 1 1 A 26 26 VAL N N 26 113.500 118.068 -4.568 2 1 216 . 1 1 A 27 27 ALA H H 27 9.130 8.587 0.543 2 1 217 . 1 1 A 27 27 ALA HA H 27 4.820 5.082 -0.262 2 1 221 . 1 1 A 27 27 ALA C C 27 175.000 175.782 -0.782 2 1 222 . 1 1 A 27 27 ALA CA C 27 51.200 50.937 0.263 2 1 223 . 1 1 A 27 27 ALA CB C 27 23.000 23.695 -0.695 2 1 224 . 1 1 A 27 27 ALA N N 27 127.200 128.125 -0.925 2 1 225 . 1 1 A 28 28 VAL H H 28 7.980 8.353 -0.373 2 1 226 . 1 1 A 28 28 VAL HA H 28 5.080 5.025 0.055 2 1 234 . 1 1 A 28 28 VAL C C 28 174.600 174.551 0.049 2 1 235 . 1 1 A 28 28 VAL CA C 28 60.800 60.577 0.223 2 1 236 . 1 1 A 28 28 VAL CB C 28 34.300 34.168 0.132 2 1 237 . 1 1 A 28 28 VAL N N 28 120.100 119.164 0.936 2 1 238 . 1 1 A 29 29 ILE H H 29 9.080 9.443 -0.363 2 1 239 . 1 1 A 29 29 ILE HA H 29 4.780 5.650 -0.870 2 1 247 . 1 1 A 29 29 ILE C C 29 173.300 175.207 -1.907 2 1 248 . 1 1 A 29 29 ILE CA C 29 60.000 59.636 0.364 2 1 249 . 1 1 A 29 29 ILE CB C 29 40.300 41.011 -0.711 2 1 250 . 1 1 A 29 29 ILE N N 29 124.300 127.923 -3.623 2 1 251 . 1 1 A 30 30 GLY H H 30 8.610 9.469 -0.859 2 1 252 . 1 1 A 30 30 GLY HA2 H 30 1.910 4.302 -2.392 2 1 253 . 1 1 A 30 30 GLY HA3 H 30 3.960 4.405 -0.446 2 1 254 . 1 1 A 30 30 GLY C C 30 169.300 171.978 -2.678 2 1 255 . 1 1 A 30 30 GLY CA C 30 44.500 44.242 0.258 2 1 256 . 1 1 A 30 30 GLY N N 30 115.800 114.341 1.459 2 1 257 . 1 1 A 31 31 PHE H H 31 8.470 9.492 -1.022 2 1 258 . 1 1 A 31 31 PHE HA H 31 4.200 5.490 -1.290 2 1 261 . 1 1 A 31 31 PHE C C 31 172.800 175.094 -2.293 2 1 262 . 1 1 A 31 31 PHE CA C 31 55.000 56.675 -1.675 2 1 263 . 1 1 A 31 31 PHE CB C 31 36.500 40.174 -3.674 2 1 264 . 1 1 A 31 31 PHE N N 31 127.800 122.689 5.111 2 1 265 . 1 1 A 32 32 PHE H H 32 8.200 9.001 -0.801 2 1 266 . 1 1 A 32 32 PHE HA H 32 4.980 5.120 -0.140 2 1 269 . 1 1 A 32 32 PHE C C 32 174.400 175.721 -1.321 2 1 270 . 1 1 A 32 32 PHE CA C 32 55.700 56.274 -0.574 2 1 271 . 1 1 A 32 32 PHE CB C 32 42.900 42.668 0.232 2 1 272 . 1 1 A 32 32 PHE N N 32 116.900 121.285 -4.385 2 1 273 . 1 1 A 33 33 LYS H H 33 9.420 8.836 0.584 2 1 274 . 1 1 A 33 33 LYS HA H 33 4.020 4.565 -0.545 2 1 279 . 1 1 A 33 33 LYS C C 33 176.700 176.520 0.180 2 1 280 . 1 1 A 33 33 LYS CA C 33 58.900 57.611 1.289 2 1 281 . 1 1 A 33 33 LYS CB C 33 31.900 33.641 -1.741 2 1 282 . 1 1 A 33 33 LYS N N 33 124.700 122.935 1.765 2 1 283 . 1 1 A 34 34 ASP H H 34 8.920 8.031 0.889 2 1 284 . 1 1 A 34 34 ASP HA H 34 5.020 4.974 0.046 2 1 287 . 1 1 A 34 34 ASP C C 34 177.800 176.283 1.517 2 1 288 . 1 1 A 34 34 ASP CA C 34 51.700 52.703 -1.003 2 1 289 . 1 1 A 34 34 ASP CB C 34 41.800 40.895 0.905 2 1 290 . 1 1 A 34 34 ASP N N 34 117.300 118.593 -1.293 2 1 291 . 1 1 A 35 35 VAL H H 35 8.560 8.428 0.132 2 1 292 . 1 1 A 35 35 VAL HA H 35 3.790 3.792 -0.002 2 1 300 . 1 1 A 35 35 VAL C C 35 174.500 177.395 -2.895 2 1 301 . 1 1 A 35 35 VAL CA C 35 63.900 65.397 -1.497 2 1 302 . 1 1 A 35 35 VAL CB C 35 30.500 31.651 -1.151 2 1 303 . 1 1 A 35 35 VAL N N 35 120.700 123.442 -2.741 2 1 304 . 1 1 A 36 36 GLU H H 36 8.250 8.030 0.220 2 1 305 . 1 1 A 36 36 GLU HA H 36 4.390 4.264 0.126 2 1 309 . 1 1 A 36 36 GLU C C 36 176.600 176.967 -0.367 2 1 310 . 1 1 A 36 36 GLU CA C 36 54.800 58.181 -3.381 2 1 311 . 1 1 A 36 36 GLU CB C 36 29.200 29.782 -0.582 2 1 312 . 1 1 A 36 36 GLU N N 36 117.200 120.023 -2.823 2 1 313 . 1 1 A 37 37 SER H H 37 7.560 7.769 -0.209 2 1 314 . 1 1 A 37 37 SER HA H 37 4.300 4.393 -0.093 2 1 317 . 1 1 A 37 37 SER C C 37 174.000 175.251 -1.251 2 1 318 . 1 1 A 37 37 SER CA C 37 58.100 58.966 -0.866 2 1 319 . 1 1 A 37 37 SER CB C 37 65.400 64.108 1.292 2 1 320 . 1 1 A 37 37 SER N N 37 116.100 115.703 0.397 2 1 321 . 1 1 A 38 38 ASP H H 38 8.920 8.977 -0.057 2 1 322 . 1 1 A 38 38 ASP HA H 38 4.290 4.241 0.049 2 1 324 . 1 1 A 38 38 ASP C C 38 179.200 178.448 0.752 2 1 325 . 1 1 A 38 38 ASP CA C 38 58.100 57.164 0.936 2 1 326 . 1 1 A 38 38 ASP CB C 38 40.100 40.018 0.082 2 1 327 . 1 1 A 38 38 ASP N N 38 121.400 124.986 -3.586 2 1 328 . 1 1 A 39 39 SER H H 39 8.500 8.175 0.326 2 1 329 . 1 1 A 39 39 SER HA H 39 4.050 4.174 -0.124 2 1 331 . 1 1 A 39 39 SER C C 39 174.500 176.589 -2.089 2 1 332 . 1 1 A 39 39 SER CA C 39 61.500 61.658 -0.158 2 1 333 . 1 1 A 39 39 SER CB C 39 62.400 62.942 -0.542 2 1 334 . 1 1 A 39 39 SER N N 39 114.200 115.977 -1.777 2 1 335 . 1 1 A 40 40 ALA H H 40 6.970 7.818 -0.848 2 1 336 . 1 1 A 40 40 ALA HA H 40 2.380 3.166 -0.786 2 1 340 . 1 1 A 40 40 ALA C C 40 179.600 179.910 -0.310 2 1 341 . 1 1 A 40 40 ALA CA C 40 54.500 54.874 -0.374 2 1 342 . 1 1 A 40 40 ALA CB C 40 18.600 18.053 0.547 2 1 343 . 1 1 A 40 40 ALA N N 40 125.700 122.870 2.830 2 1 344 . 1 1 A 41 41 LYS H H 41 8.040 7.612 0.428 2 1 345 . 1 1 A 41 41 LYS HA H 41 3.830 3.896 -0.066 2 1 350 . 1 1 A 41 41 LYS C C 41 180.500 179.583 0.917 2 1 351 . 1 1 A 41 41 LYS CA C 41 60.000 59.422 0.578 2 1 352 . 1 1 A 41 41 LYS CB C 41 31.900 32.274 -0.374 2 1 353 . 1 1 A 41 41 LYS N N 41 115.800 117.187 -1.387 2 1 354 . 1 1 A 42 42 GLN H H 42 7.870 7.854 0.016 2 1 355 . 1 1 A 42 42 GLN HA H 42 3.780 4.016 -0.236 2 1 359 . 1 1 A 42 42 GLN C C 42 177.800 178.587 -0.787 2 1 360 . 1 1 A 42 42 GLN CA C 42 58.600 58.971 -0.371 2 1 361 . 1 1 A 42 42 GLN CB C 42 28.600 28.283 0.317 2 1 362 . 1 1 A 42 42 GLN N N 42 119.100 119.340 -0.240 2 1 363 . 1 1 A 43 43 PHE H H 43 7.710 8.017 -0.307 2 1 364 . 1 1 A 43 43 PHE HA H 43 3.850 4.004 -0.154 2 1 367 . 1 1 A 43 43 PHE C C 43 176.200 177.254 -1.054 2 1 368 . 1 1 A 43 43 PHE CA C 43 61.300 60.996 0.303 2 1 369 . 1 1 A 43 43 PHE CB C 43 39.000 39.206 -0.206 2 1 370 . 1 1 A 43 43 PHE N N 43 120.000 120.770 -0.770 2 1 371 . 1 1 A 44 44 LEU H H 44 8.360 7.950 0.410 2 1 372 . 1 1 A 44 44 LEU HA H 44 3.580 3.713 -0.133 2 1 378 . 1 1 A 44 44 LEU C C 44 179.400 178.653 0.747 2 1 379 . 1 1 A 44 44 LEU CA C 44 57.400 57.841 -0.441 2 1 380 . 1 1 A 44 44 LEU CB C 44 40.900 41.579 -0.679 2 1 381 . 1 1 A 44 44 LEU N N 44 119.500 120.175 -0.675 2 1 382 . 1 1 A 45 45 GLN H H 45 7.660 8.279 -0.619 2 1 383 . 1 1 A 45 45 GLN HA H 45 3.900 3.978 -0.078 2 1 388 . 1 1 A 45 45 GLN C C 45 179.300 178.169 1.131 2 1 389 . 1 1 A 45 45 GLN CA C 45 58.700 58.634 0.066 2 1 390 . 1 1 A 45 45 GLN CB C 45 28.700 28.419 0.281 2 1 391 . 1 1 A 45 45 GLN N N 45 117.700 118.124 -0.423 2 1 392 . 1 1 A 46 46 ALA H H 46 7.630 7.681 -0.051 2 1 393 . 1 1 A 46 46 ALA HA H 46 3.740 4.001 -0.261 2 1 397 . 1 1 A 46 46 ALA C C 46 177.100 179.109 -2.009 2 1 398 . 1 1 A 46 46 ALA CA C 46 55.300 54.739 0.561 2 1 399 . 1 1 A 46 46 ALA CB C 46 17.500 18.385 -0.885 2 1 400 . 1 1 A 46 46 ALA N N 46 123.700 122.058 1.642 2 1 401 . 1 1 A 47 47 ALA H H 47 7.330 7.579 -0.249 2 1 402 . 1 1 A 47 47 ALA HA H 47 1.790 2.382 -0.592 2 1 406 . 1 1 A 47 47 ALA C C 47 178.600 179.411 -0.811 2 1 407 . 1 1 A 47 47 ALA CA C 47 53.200 54.401 -1.201 2 1 408 . 1 1 A 47 47 ALA CB C 47 17.700 17.717 -0.017 2 1 409 . 1 1 A 47 47 ALA N N 47 118.100 119.217 -1.117 2 1 410 . 1 1 A 48 48 GLU H H 48 7.020 7.439 -0.419 2 1 411 . 1 1 A 48 48 GLU HA H 48 3.840 3.973 -0.133 2 1 415 . 1 1 A 48 48 GLU C C 48 177.100 178.495 -1.395 2 1 416 . 1 1 A 48 48 GLU CA C 48 57.300 59.021 -1.721 2 1 417 . 1 1 A 48 48 GLU CB C 48 29.900 29.368 0.532 2 1 418 . 1 1 A 48 48 GLU N N 48 112.900 118.381 -5.481 2 1 419 . 1 1 A 49 49 ALA H H 49 7.250 7.657 -0.407 2 1 420 . 1 1 A 49 49 ALA HA H 49 4.250 4.091 0.159 2 1 424 . 1 1 A 49 49 ALA C C 49 176.900 177.510 -0.610 2 1 425 . 1 1 A 49 49 ALA CA C 49 52.600 54.291 -1.691 2 1 426 . 1 1 A 49 49 ALA CB C 49 20.100 18.597 1.503 2 1 427 . 1 1 A 49 49 ALA N N 49 119.800 120.942 -1.142 2 1 428 . 1 1 A 50 50 ILE H H 50 7.030 7.056 -0.026 2 1 429 . 1 1 A 50 50 ILE HA H 50 4.370 4.569 -0.199 2 1 439 . 1 1 A 50 50 ILE C C 50 174.300 175.630 -1.330 2 1 440 . 1 1 A 50 50 ILE CA C 50 59.700 59.460 0.240 2 1 441 . 1 1 A 50 50 ILE CB C 50 39.400 40.559 -1.159 2 1 442 . 1 1 A 50 50 ILE N N 50 119.300 114.338 4.962 2 1 443 . 1 1 A 51 51 ASP H H 51 8.390 8.886 -0.496 2 1 444 . 1 1 A 51 51 ASP HA H 51 4.830 5.000 -0.170 2 1 446 . 1 1 A 51 51 ASP C C 51 177.500 176.615 0.885 2 1 447 . 1 1 A 51 51 ASP CA C 51 54.300 53.784 0.516 2 1 448 . 1 1 A 51 51 ASP CB C 51 42.200 40.943 1.258 2 1 449 . 1 1 A 51 51 ASP N N 51 123.200 124.356 -1.156 2 1 450 . 1 1 A 52 52 ASP H H 52 8.530 8.172 0.358 2 1 451 . 1 1 A 52 52 ASP HA H 52 4.570 4.443 0.127 2 1 454 . 1 1 A 52 52 ASP C C 52 175.000 176.111 -1.111 2 1 455 . 1 1 A 52 52 ASP CA C 52 54.600 56.858 -2.258 2 1 456 . 1 1 A 52 52 ASP CB C 52 40.200 41.133 -0.933 2 1 457 . 1 1 A 52 52 ASP N N 52 116.000 119.134 -3.134 2 1 458 . 1 1 A 53 53 ILE H H 53 7.150 7.715 -0.565 2 1 459 . 1 1 A 53 53 ILE HA H 53 4.570 4.514 0.056 2 1 469 . 1 1 A 53 53 ILE CA C 53 57.700 57.303 0.397 2 1 470 . 1 1 A 53 53 ILE CB C 53 42.000 40.514 1.486 2 1 471 . 1 1 A 53 53 ILE N N 53 119.300 117.813 1.487 2 1 472 . 1 1 A 54 54 PRO C C 54 175.100 175.480 -0.380 2 1 473 . 1 1 A 54 54 PRO CA C 54 62.700 63.037 -0.337 2 1 474 . 1 1 A 54 54 PRO CB C 54 32.500 32.107 0.393 2 1 475 . 1 1 A 55 55 PHE H H 55 8.780 8.373 0.407 2 1 476 . 1 1 A 55 55 PHE HA H 55 5.840 5.700 0.140 2 1 479 . 1 1 A 55 55 PHE C C 55 176.900 175.271 1.629 2 1 480 . 1 1 A 55 55 PHE CA C 55 55.600 56.032 -0.432 2 1 481 . 1 1 A 55 55 PHE CB C 55 42.000 42.199 -0.199 2 1 482 . 1 1 A 55 55 PHE N N 55 119.900 121.607 -1.707 2 1 483 . 1 1 A 56 56 GLY H H 56 9.510 9.465 0.045 2 1 484 . 1 1 A 56 56 GLY HA2 H 56 3.350 4.277 -0.927 2 1 485 . 1 1 A 56 56 GLY HA3 H 56 5.620 4.331 1.289 2 1 486 . 1 1 A 56 56 GLY C C 56 170.800 172.678 -1.878 2 1 487 . 1 1 A 56 56 GLY CA C 56 43.400 43.912 -0.512 2 1 488 . 1 1 A 56 56 GLY N N 56 109.000 109.093 -0.093 2 1 489 . 1 1 A 57 57 ILE H H 57 8.930 8.457 0.473 2 1 490 . 1 1 A 57 57 ILE HA H 57 5.570 5.467 0.103 2 1 499 . 1 1 A 57 57 ILE C C 57 172.000 174.372 -2.372 2 1 500 . 1 1 A 57 57 ILE CA C 57 58.400 59.292 -0.892 2 1 501 . 1 1 A 57 57 ILE CB C 57 42.900 42.407 0.493 2 1 502 . 1 1 A 57 57 ILE N N 57 120.800 119.821 0.979 2 1 503 . 1 1 A 58 58 THR H H 58 8.660 8.685 -0.025 2 1 504 . 1 1 A 58 58 THR HA H 58 4.960 5.024 -0.064 2 1 509 . 1 1 A 58 58 THR C C 58 170.000 173.333 -3.333 2 1 510 . 1 1 A 58 58 THR CA C 58 60.100 60.216 -0.116 2 1 511 . 1 1 A 58 58 THR CB C 58 72.100 70.464 1.636 2 1 512 . 1 1 A 58 58 THR N N 58 121.200 116.587 4.613 2 1 513 . 1 1 A 59 59 SER H H 59 8.710 8.674 0.036 2 1 514 . 1 1 A 59 59 SER HA H 59 5.200 4.988 0.212 2 1 517 . 1 1 A 59 59 SER C C 59 173.900 174.554 -0.654 2 1 518 . 1 1 A 59 59 SER CA C 59 56.700 58.142 -1.442 2 1 519 . 1 1 A 59 59 SER CB C 59 65.700 65.254 0.446 2 1 520 . 1 1 A 59 59 SER N N 59 119.900 118.597 1.303 2 1 521 . 1 1 A 60 60 ASN H H 60 8.030 7.637 0.393 2 1 522 . 1 1 A 60 60 ASN HA H 60 4.790 4.738 0.052 2 1 524 . 1 1 A 60 60 ASN CA C 60 53.200 53.599 -0.399 2 1 525 . 1 1 A 60 60 ASN CB C 60 39.500 39.990 -0.491 2 1 526 . 1 1 A 60 60 ASN N N 60 122.200 121.096 1.104 2 1 528 . 1 1 A 61 61 SER C C 61 175.900 176.451 -0.551 2 1 529 . 1 1 A 61 61 SER CA C 61 62.500 61.853 0.647 2 1 530 . 1 1 A 61 61 SER CB C 61 62.500 62.852 -0.352 2 1 531 . 1 1 A 62 62 ASP H H 62 8.630 8.226 0.405 2 1 532 . 1 1 A 62 62 ASP HA H 62 4.530 4.435 0.095 2 1 535 . 1 1 A 62 62 ASP C C 62 179.000 178.961 0.039 2 1 536 . 1 1 A 62 62 ASP CA C 62 57.400 57.432 -0.032 2 1 537 . 1 1 A 62 62 ASP CB C 62 40.000 40.786 -0.786 2 1 538 . 1 1 A 62 62 ASP N N 62 122.200 122.567 -0.367 2 1 539 . 1 1 A 63 63 VAL H H 63 8.030 7.766 0.264 2 1 540 . 1 1 A 63 63 VAL HA H 63 3.750 3.649 0.101 2 1 548 . 1 1 A 63 63 VAL C C 63 177.900 178.304 -0.404 2 1 549 . 1 1 A 63 63 VAL CA C 63 65.800 66.558 -0.758 2 1 550 . 1 1 A 63 63 VAL CB C 63 30.700 31.709 -1.009 2 1 551 . 1 1 A 63 63 VAL N N 63 122.400 120.236 2.164 2 1 552 . 1 1 A 64 64 PHE H H 64 7.980 8.147 -0.167 2 1 553 . 1 1 A 64 64 PHE HA H 64 4.200 4.539 -0.339 2 1 556 . 1 1 A 64 64 PHE C C 64 178.800 178.496 0.304 2 1 557 . 1 1 A 64 64 PHE CA C 64 61.700 60.404 1.296 2 1 558 . 1 1 A 64 64 PHE CB C 64 37.500 38.680 -1.180 2 1 559 . 1 1 A 64 64 PHE N N 64 120.100 119.539 0.561 2 1 560 . 1 1 A 65 65 SER H H 65 8.090 8.205 -0.115 2 1 561 . 1 1 A 65 65 SER HA H 65 4.210 4.228 -0.018 2 1 563 . 1 1 A 65 65 SER C C 65 177.800 176.797 1.003 2 1 564 . 1 1 A 65 65 SER CA C 65 61.600 61.912 -0.312 2 1 565 . 1 1 A 65 65 SER CB C 65 62.300 62.883 -0.583 2 1 566 . 1 1 A 65 65 SER N N 65 112.100 115.351 -3.251 2 1 567 . 1 1 A 66 66 LYS H H 66 7.650 7.852 -0.202 2 1 568 . 1 1 A 66 66 LYS HA H 66 3.870 4.126 -0.256 2 1 572 . 1 1 A 66 66 LYS C C 66 176.700 177.729 -1.029 2 1 573 . 1 1 A 66 66 LYS CA C 66 58.900 59.184 -0.284 2 1 574 . 1 1 A 66 66 LYS CB C 66 32.700 32.103 0.597 2 1 575 . 1 1 A 66 66 LYS N N 66 124.100 122.023 2.077 2 1 576 . 1 1 A 67 67 TYR H H 67 7.040 7.609 -0.569 2 1 577 . 1 1 A 67 67 TYR HA H 67 4.640 4.635 0.005 2 1 580 . 1 1 A 67 67 TYR C C 67 173.600 174.920 -1.320 2 1 581 . 1 1 A 67 67 TYR CA C 67 58.400 58.376 0.024 2 1 582 . 1 1 A 67 67 TYR CB C 67 37.700 39.138 -1.438 2 1 583 . 1 1 A 67 67 TYR N N 67 113.800 116.659 -2.859 2 1 584 . 1 1 A 68 68 GLN H H 68 7.850 7.996 -0.146 2 1 585 . 1 1 A 68 68 GLN HA H 68 3.830 3.862 -0.032 2 1 588 . 1 1 A 68 68 GLN C C 68 174.700 174.190 0.510 2 1 589 . 1 1 A 68 68 GLN CA C 68 57.400 56.965 0.435 2 1 590 . 1 1 A 68 68 GLN CB C 68 25.000 26.635 -1.635 2 1 591 . 1 1 A 68 68 GLN N N 68 113.700 117.985 -4.285 2 1 592 . 1 1 A 69 69 LEU H H 69 8.070 8.461 -0.391 2 1 593 . 1 1 A 69 69 LEU HA H 69 4.530 4.871 -0.341 2 1 602 . 1 1 A 69 69 LEU C C 69 176.800 175.715 1.085 2 1 603 . 1 1 A 69 69 LEU CA C 69 54.900 53.609 1.291 2 1 604 . 1 1 A 69 69 LEU CB C 69 43.200 45.194 -1.994 2 1 605 . 1 1 A 69 69 LEU N N 69 120.800 119.048 1.752 2 1 606 . 1 1 A 70 70 ASP H H 70 8.580 8.840 -0.260 2 1 607 . 1 1 A 70 70 ASP HA H 70 4.650 4.698 -0.048 2 1 610 . 1 1 A 70 70 ASP C C 70 174.800 175.085 -0.285 2 1 611 . 1 1 A 70 70 ASP CA C 70 53.200 53.906 -0.706 2 1 612 . 1 1 A 70 70 ASP CB C 70 41.600 42.203 -0.603 2 1 613 . 1 1 A 70 70 ASP N N 70 120.400 121.198 -0.798 2 1 614 . 1 1 A 71 71 LYS H H 71 7.720 7.573 0.147 2 1 615 . 1 1 A 71 71 LYS HA H 71 4.550 4.648 -0.098 2 1 619 . 1 1 A 71 71 LYS C C 71 173.100 175.388 -2.288 2 1 620 . 1 1 A 71 71 LYS CA C 71 54.300 54.517 -0.217 2 1 621 . 1 1 A 71 71 LYS CB C 71 34.100 35.640 -1.540 2 1 622 . 1 1 A 71 71 LYS N N 71 117.300 116.941 0.359 2 1 623 . 1 1 A 72 72 ASP H H 72 7.780 8.658 -0.878 2 1 624 . 1 1 A 72 72 ASP HA H 72 4.650 4.603 0.047 2 1 627 . 1 1 A 72 72 ASP C C 72 177.600 175.869 1.731 2 1 628 . 1 1 A 72 72 ASP CA C 72 54.500 54.347 0.153 2 1 629 . 1 1 A 72 72 ASP CB C 72 41.500 41.520 -0.020 2 1 630 . 1 1 A 72 72 ASP N N 72 116.900 121.582 -4.682 2 1 631 . 1 1 A 73 73 GLY H H 73 8.660 8.543 0.117 2 1 632 . 1 1 A 73 73 GLY HA2 H 73 3.890 4.053 -0.163 2 1 633 . 1 1 A 73 73 GLY C C 73 169.700 172.374 -2.674 2 1 634 . 1 1 A 73 73 GLY CA C 73 45.500 44.803 0.698 2 1 635 . 1 1 A 73 73 GLY N N 73 107.400 107.299 0.101 2 1 636 . 1 1 A 74 74 VAL H H 74 8.490 8.243 0.247 2 1 637 . 1 1 A 74 74 VAL HA H 74 4.840 5.106 -0.267 2 1 642 . 1 1 A 74 74 VAL C C 74 173.500 175.062 -1.562 2 1 643 . 1 1 A 74 74 VAL CA C 74 61.300 60.731 0.569 2 1 644 . 1 1 A 74 74 VAL CB C 74 35.500 33.943 1.557 2 1 645 . 1 1 A 74 74 VAL N N 74 117.900 121.402 -3.502 2 1 646 . 1 1 A 75 75 VAL H H 75 8.930 9.691 -0.761 2 1 647 . 1 1 A 75 75 VAL HA H 75 4.580 5.298 -0.718 2 1 655 . 1 1 A 75 75 VAL C C 75 172.700 173.791 -1.091 2 1 656 . 1 1 A 75 75 VAL CA C 75 61.100 60.466 0.634 2 1 657 . 1 1 A 75 75 VAL CB C 75 35.600 36.048 -0.448 2 1 658 . 1 1 A 75 75 VAL N N 75 126.900 126.532 0.368 2 1 659 . 1 1 A 76 76 LEU H H 76 8.690 8.899 -0.210 2 1 660 . 1 1 A 76 76 LEU HA H 76 4.980 5.147 -0.167 2 1 666 . 1 1 A 76 76 LEU C C 76 173.400 174.755 -1.355 2 1 667 . 1 1 A 76 76 LEU CA C 76 54.200 53.635 0.565 2 1 668 . 1 1 A 76 76 LEU CB C 76 46.000 44.550 1.450 2 1 669 . 1 1 A 76 76 LEU N N 76 128.000 129.154 -1.154 2 1 670 . 1 1 A 77 77 PHE H H 77 9.600 9.690 -0.090 2 1 671 . 1 1 A 77 77 PHE HA H 77 4.930 5.611 -0.681 2 1 674 . 1 1 A 77 77 PHE C C 77 173.800 174.807 -1.007 2 1 675 . 1 1 A 77 77 PHE CA C 77 56.800 56.891 -0.091 2 1 676 . 1 1 A 77 77 PHE CB C 77 42.100 41.002 1.098 2 1 677 . 1 1 A 77 77 PHE N N 77 126.500 125.911 0.589 2 1 678 . 1 1 A 78 78 LYS H H 78 8.410 8.559 -0.149 2 1 679 . 1 1 A 78 78 LYS HA H 78 5.410 4.880 0.530 2 1 684 . 1 1 A 78 78 LYS C C 78 176.600 176.570 0.030 2 1 685 . 1 1 A 78 78 LYS CA C 78 53.500 54.392 -0.892 2 1 686 . 1 1 A 78 78 LYS CB C 78 34.600 35.904 -1.304 2 1 687 . 1 1 A 78 78 LYS N N 78 115.800 121.514 -5.714 2 1 688 . 1 1 A 79 79 LYS H H 79 8.010 8.698 -0.688 2 1 689 . 1 1 A 79 79 LYS HA H 79 4.370 4.055 0.315 2 1 693 . 1 1 A 79 79 LYS C C 79 175.000 176.321 -1.321 2 1 694 . 1 1 A 79 79 LYS CA C 79 56.000 59.114 -3.114 2 1 695 . 1 1 A 79 79 LYS CB C 79 31.900 32.719 -0.819 2 1 696 . 1 1 A 79 79 LYS N N 79 121.400 123.783 -2.383 2 1 697 . 1 1 A 80 80 PHE H H 80 6.620 7.714 -1.094 2 1 698 . 1 1 A 80 80 PHE HA H 80 4.880 4.990 -0.110 2 1 700 . 1 1 A 80 80 PHE C C 80 174.000 174.837 -0.837 2 1 701 . 1 1 A 80 80 PHE CA C 80 54.400 55.736 -1.336 2 1 702 . 1 1 A 80 80 PHE CB C 80 40.400 41.392 -0.992 2 1 703 . 1 1 A 80 80 PHE N N 80 113.500 113.948 -0.448 2 1 704 . 1 1 A 81 81 ASP H H 81 8.980 8.989 -0.008 2 1 705 . 1 1 A 81 81 ASP HA H 81 4.270 4.436 -0.166 2 1 708 . 1 1 A 81 81 ASP C C 81 176.600 176.505 0.095 2 1 709 . 1 1 A 81 81 ASP CA C 81 56.000 55.921 0.079 2 1 710 . 1 1 A 81 81 ASP CB C 81 40.200 40.090 0.110 2 1 711 . 1 1 A 81 81 ASP N N 81 117.700 118.653 -0.953 2 1 712 . 1 1 A 82 82 GLU H H 82 10.320 8.846 1.474 2 1 713 . 1 1 A 82 82 GLU HA H 82 4.340 4.234 0.106 2 1 716 . 1 1 A 82 82 GLU C C 82 178.700 177.058 1.642 2 1 717 . 1 1 A 82 82 GLU CA C 82 58.200 56.985 1.215 2 1 718 . 1 1 A 82 82 GLU CB C 82 28.600 30.227 -1.627 2 1 719 . 1 1 A 82 82 GLU N N 82 123.900 125.213 -1.312 2 1 720 . 1 1 A 83 83 GLY H H 83 7.780 8.828 -1.048 2 1 721 . 1 1 A 83 83 GLY HA2 H 83 4.150 3.921 0.229 2 1 722 . 1 1 A 83 83 GLY HA3 H 83 4.290 3.941 0.349 2 1 723 . 1 1 A 83 83 GLY C C 83 174.400 173.351 1.049 2 1 724 . 1 1 A 83 83 GLY CA C 83 46.600 45.627 0.973 2 1 725 . 1 1 A 83 83 GLY N N 83 109.200 109.306 -0.106 2 1 726 . 1 1 A 84 84 ARG H H 84 7.200 7.710 -0.510 2 1 727 . 1 1 A 84 84 ARG HA H 84 5.210 5.555 -0.345 2 1 731 . 1 1 A 84 84 ARG C C 84 174.000 174.187 -0.187 2 1 732 . 1 1 A 84 84 ARG CA C 84 55.000 54.309 0.691 2 1 733 . 1 1 A 84 84 ARG CB C 84 32.500 33.179 -0.679 2 1 734 . 1 1 A 84 84 ARG N N 84 121.000 116.919 4.081 2 1 735 . 1 1 A 85 85 ASN H H 85 9.270 9.052 0.218 2 1 736 . 1 1 A 85 85 ASN HA H 85 5.000 5.322 -0.322 2 1 739 . 1 1 A 85 85 ASN C C 85 172.900 174.054 -1.154 2 1 740 . 1 1 A 85 85 ASN CA C 85 53.800 52.076 1.724 2 1 741 . 1 1 A 85 85 ASN CB C 85 43.600 40.267 3.333 2 1 742 . 1 1 A 85 85 ASN N N 85 121.600 121.794 -0.194 2 1 743 . 1 1 A 86 86 ASN H H 86 9.150 8.922 0.228 2 1 744 . 1 1 A 86 86 ASN HA H 86 5.000 5.380 -0.380 2 1 746 . 1 1 A 86 86 ASN C C 86 174.400 175.578 -1.178 2 1 747 . 1 1 A 86 86 ASN CA C 86 52.400 53.013 -0.613 2 1 748 . 1 1 A 86 86 ASN CB C 86 38.600 39.295 -0.695 2 1 749 . 1 1 A 86 86 ASN N N 86 123.200 124.369 -1.169 2 1 750 . 1 1 A 87 87 PHE H H 87 8.380 9.531 -1.151 2 1 751 . 1 1 A 87 87 PHE HA H 87 3.460 4.347 -0.887 2 1 754 . 1 1 A 87 87 PHE C C 87 174.600 176.770 -2.170 2 1 755 . 1 1 A 87 87 PHE CA C 87 59.000 59.006 -0.006 2 1 756 . 1 1 A 87 87 PHE CB C 87 39.000 39.636 -0.636 2 1 757 . 1 1 A 87 87 PHE N N 87 124.900 125.347 -0.446 2 1 758 . 1 1 A 88 88 GLU H H 88 7.450 8.676 -1.226 2 1 759 . 1 1 A 88 88 GLU HA H 88 4.270 3.946 0.324 2 1 763 . 1 1 A 88 88 GLU C C 88 173.900 177.390 -3.490 2 1 764 . 1 1 A 88 88 GLU CA C 88 54.800 59.534 -4.734 2 1 765 . 1 1 A 88 88 GLU CB C 88 31.700 29.803 1.897 2 1 766 . 1 1 A 88 88 GLU N N 88 128.600 125.033 3.567 2 1 767 . 1 1 A 89 89 GLY H H 89 7.050 7.468 -0.419 2 1 768 . 1 1 A 89 89 GLY HA2 H 89 3.700 3.954 -0.254 2 1 769 . 1 1 A 89 89 GLY HA3 H 89 3.840 3.969 -0.129 2 1 770 . 1 1 A 89 89 GLY C C 89 172.600 174.602 -2.002 2 1 771 . 1 1 A 89 89 GLY CA C 89 43.400 45.463 -2.063 2 1 772 . 1 1 A 89 89 GLY N N 89 108.600 106.171 2.429 2 1 773 . 1 1 A 90 90 GLU H H 90 8.450 7.865 0.585 2 1 774 . 1 1 A 90 90 GLU HA H 90 4.290 4.286 0.004 2 1 778 . 1 1 A 90 90 GLU C C 90 177.400 175.890 1.510 2 1 779 . 1 1 A 90 90 GLU CA C 90 56.200 56.897 -0.697 2 1 780 . 1 1 A 90 90 GLU CB C 90 29.900 30.257 -0.357 2 1 781 . 1 1 A 90 90 GLU N N 90 120.400 121.211 -0.811 2 1 782 . 1 1 A 91 91 VAL H H 91 9.140 8.552 0.588 2 1 783 . 1 1 A 91 91 VAL HA H 91 3.730 4.484 -0.754 2 1 791 . 1 1 A 91 91 VAL C C 91 173.600 175.235 -1.635 2 1 792 . 1 1 A 91 91 VAL CA C 91 64.400 61.303 3.097 2 1 793 . 1 1 A 91 91 VAL CB C 91 29.800 32.857 -3.057 2 1 794 . 1 1 A 91 91 VAL N N 91 126.500 122.510 3.989 2 1 795 . 1 1 A 92 92 THR H H 92 7.210 8.680 -1.470 2 1 796 . 1 1 A 92 92 THR HA H 92 4.630 4.835 -0.205 2 1 801 . 1 1 A 92 92 THR C C 92 174.100 174.992 -0.892 2 1 802 . 1 1 A 92 92 THR CA C 92 58.000 61.149 -3.149 2 1 803 . 1 1 A 92 92 THR CB C 92 72.400 71.611 0.789 2 1 804 . 1 1 A 92 92 THR N N 92 117.900 120.730 -2.830 2 1 805 . 1 1 A 93 93 LYS H H 93 9.360 8.934 0.426 2 1 806 . 1 1 A 93 93 LYS HA H 93 3.680 4.025 -0.345 2 1 810 . 1 1 A 93 93 LYS C C 93 177.100 178.532 -1.432 2 1 811 . 1 1 A 93 93 LYS CA C 93 60.700 59.493 1.207 2 1 812 . 1 1 A 93 93 LYS CB C 93 32.100 32.128 -0.028 2 1 813 . 1 1 A 93 93 LYS N N 93 124.100 125.064 -0.964 2 1 814 . 1 1 A 94 94 GLU H H 94 9.120 8.119 1.001 2 1 815 . 1 1 A 94 94 GLU HA H 94 3.900 4.089 -0.189 2 1 819 . 1 1 A 94 94 GLU C C 94 179.100 179.105 -0.005 2 1 820 . 1 1 A 94 94 GLU CA C 94 60.700 59.229 1.471 2 1 821 . 1 1 A 94 94 GLU CB C 94 28.700 29.444 -0.744 2 1 822 . 1 1 A 94 94 GLU N N 94 116.600 119.382 -2.782 2 1 823 . 1 1 A 95 95 ASN H H 95 8.020 8.310 -0.290 2 1 824 . 1 1 A 95 95 ASN HA H 95 4.650 4.572 0.078 2 1 827 . 1 1 A 95 95 ASN C C 95 179.700 178.150 1.550 2 1 828 . 1 1 A 95 95 ASN CA C 95 55.300 56.466 -1.166 2 1 829 . 1 1 A 95 95 ASN CB C 95 37.500 38.841 -1.341 2 1 830 . 1 1 A 95 95 ASN N N 95 118.100 118.891 -0.791 2 1 831 . 1 1 A 96 96 LEU H H 96 8.550 8.371 0.179 2 1 832 . 1 1 A 96 96 LEU HA H 96 3.960 4.498 -0.538 2 1 842 . 1 1 A 96 96 LEU C C 96 178.400 179.275 -0.875 2 1 843 . 1 1 A 96 96 LEU CA C 96 57.500 58.282 -0.782 2 1 844 . 1 1 A 96 96 LEU CB C 96 42.200 41.730 0.470 2 1 845 . 1 1 A 96 96 LEU N N 96 121.600 119.076 2.524 2 1 846 . 1 1 A 97 97 LEU H H 97 8.500 8.159 0.341 2 1 847 . 1 1 A 97 97 LEU HA H 97 4.010 4.004 0.006 2 1 853 . 1 1 A 97 97 LEU C C 97 179.200 179.066 0.134 2 1 854 . 1 1 A 97 97 LEU CA C 97 58.900 58.104 0.796 2 1 855 . 1 1 A 97 97 LEU CB C 97 40.900 41.431 -0.531 2 1 856 . 1 1 A 97 97 LEU N N 97 120.100 119.823 0.277 2 1 857 . 1 1 A 98 98 ASP H H 98 7.660 8.080 -0.420 2 1 858 . 1 1 A 98 98 ASP HA H 98 4.410 4.153 0.257 2 1 861 . 1 1 A 98 98 ASP C C 98 177.800 178.554 -0.754 2 1 862 . 1 1 A 98 98 ASP CA C 98 57.700 57.253 0.447 2 1 863 . 1 1 A 98 98 ASP CB C 98 41.100 40.836 0.264 2 1 864 . 1 1 A 98 98 ASP N N 98 118.700 119.417 -0.717 2 1 865 . 1 1 A 99 99 PHE H H 99 7.900 8.471 -0.571 2 1 866 . 1 1 A 99 99 PHE HA H 99 4.530 4.112 0.418 2 1 869 . 1 1 A 99 99 PHE C C 99 177.600 177.349 0.251 2 1 870 . 1 1 A 99 99 PHE CA C 99 60.400 61.389 -0.990 2 1 871 . 1 1 A 99 99 PHE CB C 99 39.800 39.153 0.647 2 1 872 . 1 1 A 99 99 PHE N N 99 120.800 121.207 -0.407 2 1 873 . 1 1 A 100 100 ILE H H 100 8.780 8.658 0.122 2 1 874 . 1 1 A 100 100 ILE HA H 100 3.120 3.795 -0.675 2 1 883 . 1 1 A 100 100 ILE C C 100 177.400 178.115 -0.715 2 1 884 . 1 1 A 100 100 ILE CA C 100 65.500 65.068 0.432 2 1 885 . 1 1 A 100 100 ILE CB C 100 38.500 37.902 0.598 2 1 886 . 1 1 A 100 100 ILE N N 100 121.400 120.490 0.910 2 1 887 . 1 1 A 101 101 LYS H H 101 8.210 8.185 0.025 2 1 888 . 1 1 A 101 101 LYS HA H 101 4.200 4.077 0.123 2 1 893 . 1 1 A 101 101 LYS C C 101 179.400 179.142 0.258 2 1 894 . 1 1 A 101 101 LYS CA C 101 59.300 58.969 0.331 2 1 895 . 1 1 A 101 101 LYS CB C 101 31.800 32.085 -0.285 2 1 896 . 1 1 A 101 101 LYS N N 101 117.900 120.513 -2.612 2 1 897 . 1 1 A 102 102 HIS H H 102 7.870 8.332 -0.462 2 1 898 . 1 1 A 102 102 HIS HA H 102 4.420 4.380 0.040 2 1 900 . 1 1 A 102 102 HIS C C 102 175.900 176.766 -0.866 2 1 901 . 1 1 A 102 102 HIS CA C 102 58.400 59.766 -1.366 2 1 902 . 1 1 A 102 102 HIS CB C 102 30.100 29.968 0.132 2 1 903 . 1 1 A 102 102 HIS N N 102 113.900 117.800 -3.900 2 1 904 . 1 1 A 103 103 ASN H H 103 7.270 8.102 -0.833 2 1 905 . 1 1 A 103 103 ASN HA H 103 4.840 4.467 0.373 2 1 908 . 1 1 A 103 103 ASN C C 103 174.500 176.971 -2.471 2 1 909 . 1 1 A 103 103 ASN CA C 103 54.400 54.407 -0.007 2 1 910 . 1 1 A 103 103 ASN CB C 103 41.100 38.719 2.381 2 1 911 . 1 1 A 103 103 ASN N N 103 113.900 117.087 -3.187 2 1 912 . 1 1 A 104 104 GLN H H 104 7.650 8.108 -0.458 2 1 913 . 1 1 A 104 104 GLN HA H 104 4.250 4.246 0.004 2 1 917 . 1 1 A 104 104 GLN C C 104 173.800 175.812 -2.012 2 1 918 . 1 1 A 104 104 GLN CA C 104 57.400 56.890 0.510 2 1 919 . 1 1 A 104 104 GLN CB C 104 28.900 28.590 0.310 2 1 920 . 1 1 A 104 104 GLN N N 104 115.000 117.708 -2.708 2 1 921 . 1 1 A 105 105 LEU H H 105 7.500 7.483 0.017 2 1 922 . 1 1 A 105 105 LEU HA H 105 4.720 4.763 -0.043 2 1 927 . 1 1 A 105 105 LEU CA C 105 51.800 51.966 -0.166 2 1 928 . 1 1 A 105 105 LEU CB C 105 42.100 43.863 -1.763 2 1 929 . 1 1 A 105 105 LEU N N 105 119.700 120.938 -1.238 2 1 930 . 1 1 A 106 106 PRO HA H 106 4.380 4.662 -0.282 2 1 931 . 1 1 A 106 106 PRO C C 106 175.600 177.292 -1.692 2 1 932 . 1 1 A 106 106 PRO CA C 106 61.700 62.360 -0.660 2 1 933 . 1 1 A 106 106 PRO CB C 106 31.800 32.799 -0.999 2 1 934 . 1 1 A 107 107 LEU H H 107 9.440 8.722 0.718 2 1 935 . 1 1 A 107 107 LEU HA H 107 3.980 4.154 -0.174 2 1 941 . 1 1 A 107 107 LEU C C 107 177.100 176.596 0.504 2 1 942 . 1 1 A 107 107 LEU CA C 107 57.800 57.252 0.548 2 1 943 . 1 1 A 107 107 LEU CB C 107 42.700 42.372 0.328 2 1 944 . 1 1 A 107 107 LEU N N 107 123.400 119.897 3.503 2 1 945 . 1 1 A 108 108 VAL H H 108 7.730 7.623 0.107 2 1 946 . 1 1 A 108 108 VAL HA H 108 5.010 5.315 -0.305 2 1 951 . 1 1 A 108 108 VAL C C 108 174.800 174.425 0.375 2 1 952 . 1 1 A 108 108 VAL CA C 108 59.400 59.763 -0.363 2 1 953 . 1 1 A 108 108 VAL CB C 108 34.400 35.119 -0.719 2 1 954 . 1 1 A 108 108 VAL N N 108 109.700 113.730 -4.030 2 1 955 . 1 1 A 109 109 ILE H H 109 8.700 8.856 -0.156 2 1 956 . 1 1 A 109 109 ILE HA H 109 4.210 4.924 -0.714 2 1 965 . 1 1 A 109 109 ILE C C 109 173.500 173.364 0.136 2 1 966 . 1 1 A 109 109 ILE CA C 109 59.900 59.088 0.812 2 1 967 . 1 1 A 109 109 ILE CB C 109 41.600 42.126 -0.526 2 1 968 . 1 1 A 109 109 ILE N N 109 124.500 122.812 1.688 2 1 969 . 1 1 A 110 110 GLU H H 110 8.410 8.188 0.222 2 1 970 . 1 1 A 110 110 GLU HA H 110 3.430 3.851 -0.421 2 1 973 . 1 1 A 110 110 GLU C C 110 176.000 176.008 -0.008 2 1 974 . 1 1 A 110 110 GLU CA C 110 54.700 55.793 -1.093 2 1 975 . 1 1 A 110 110 GLU CB C 110 29.800 29.931 -0.131 2 1 976 . 1 1 A 110 110 GLU N N 110 128.200 126.128 2.072 2 1 977 . 1 1 A 111 111 PHE H H 111 8.680 8.967 -0.287 2 1 978 . 1 1 A 111 111 PHE HA H 111 3.850 4.573 -0.723 2 1 981 . 1 1 A 111 111 PHE C C 111 173.600 174.917 -1.317 2 1 982 . 1 1 A 111 111 PHE CA C 111 59.500 59.192 0.308 2 1 983 . 1 1 A 111 111 PHE CB C 111 40.200 39.319 0.882 2 1 984 . 1 1 A 111 111 PHE N N 111 128.800 125.428 3.372 2 1 985 . 1 1 A 112 112 THR H H 112 7.310 8.133 -0.824 2 1 986 . 1 1 A 112 112 THR HA H 112 4.500 4.719 -0.219 2 1 991 . 1 1 A 112 112 THR C C 112 173.700 174.267 -0.567 2 1 992 . 1 1 A 112 112 THR CA C 112 59.200 60.302 -1.102 2 1 993 . 1 1 A 112 112 THR CB C 112 73.500 70.751 2.749 2 1 994 . 1 1 A 112 112 THR N N 112 119.800 117.915 1.885 2 1 995 . 1 1 A 113 113 GLU H H 113 8.930 8.980 -0.050 2 1 996 . 1 1 A 113 113 GLU HA H 113 3.890 3.933 -0.043 2 1 1000 . 1 1 A 113 113 GLU C C 113 178.100 178.324 -0.224 2 1 1001 . 1 1 A 113 113 GLU CA C 113 59.100 59.506 -0.406 2 1 1002 . 1 1 A 113 113 GLU CB C 113 29.200 29.120 0.080 2 1 1003 . 1 1 A 113 113 GLU N N 113 120.100 122.689 -2.589 2 1 1004 . 1 1 A 114 114 GLN H H 114 7.940 7.762 0.178 2 1 1005 . 1 1 A 114 114 GLN HA H 114 4.130 4.047 0.083 2 1 1008 . 1 1 A 114 114 GLN C C 114 177.800 178.573 -0.773 2 1 1009 . 1 1 A 114 114 GLN CA C 114 58.200 58.436 -0.236 2 1 1010 . 1 1 A 114 114 GLN CB C 114 28.600 28.240 0.360 2 1 1011 . 1 1 A 114 114 GLN N N 114 114.800 119.113 -4.313 2 1 1012 . 1 1 A 115 115 THR H H 115 7.500 7.700 -0.200 2 1 1013 . 1 1 A 115 115 THR HA H 115 4.180 3.751 0.429 2 1 1018 . 1 1 A 115 115 THR C C 115 175.800 176.084 -0.284 2 1 1019 . 1 1 A 115 115 THR CA C 115 61.900 66.384 -4.484 2 1 1020 . 1 1 A 115 115 THR CB C 115 69.400 68.436 0.964 2 1 1021 . 1 1 A 115 115 THR N N 115 109.000 117.610 -8.610 2 1 1022 . 1 1 A 116 116 ALA H H 116 7.770 7.880 -0.110 2 1 1023 . 1 1 A 116 116 ALA HA H 116 3.840 3.717 0.123 2 1 1027 . 1 1 A 116 116 ALA CA C 116 56.800 56.774 0.026 2 1 1028 . 1 1 A 116 116 ALA CB C 116 16.100 16.654 -0.554 2 1 1029 . 1 1 A 116 116 ALA N N 116 125.500 122.775 2.725 2 1 1030 . 1 1 A 117 117 PRO HA H 117 4.370 3.818 0.552 2 1 1031 . 1 1 A 117 117 PRO C C 117 179.500 178.847 0.653 2 1 1032 . 1 1 A 117 117 PRO CA C 117 65.800 65.511 0.289 2 1 1033 . 1 1 A 117 117 PRO CB C 117 30.800 30.497 0.303 2 1 1034 . 1 1 A 118 118 LYS H H 118 7.260 7.854 -0.594 2 1 1035 . 1 1 A 118 118 LYS HA H 118 4.140 4.038 0.102 2 1 1039 . 1 1 A 118 118 LYS C C 118 178.300 179.261 -0.961 2 1 1040 . 1 1 A 118 118 LYS CA C 118 57.500 58.926 -1.427 2 1 1041 . 1 1 A 118 118 LYS CB C 118 32.200 31.745 0.455 2 1 1042 . 1 1 A 118 118 LYS N N 118 115.800 117.740 -1.940 2 1 1043 . 1 1 A 119 119 ILE H H 119 7.690 7.521 0.169 2 1 1044 . 1 1 A 119 119 ILE HA H 119 3.440 3.844 -0.404 2 1 1053 . 1 1 A 119 119 ILE C C 119 177.500 178.269 -0.769 2 1 1054 . 1 1 A 119 119 ILE CA C 119 64.400 64.269 0.131 2 1 1055 . 1 1 A 119 119 ILE CB C 119 38.700 37.635 1.065 2 1 1056 . 1 1 A 119 119 ILE N N 119 119.300 120.340 -1.040 2 1 1057 . 1 1 A 120 120 PHE H H 120 8.040 8.006 0.034 2 1 1058 . 1 1 A 120 120 PHE HA H 120 4.310 4.276 0.034 2 1 1061 . 1 1 A 120 120 PHE C C 120 176.800 177.790 -0.990 2 1 1062 . 1 1 A 120 120 PHE CA C 120 58.900 59.583 -0.683 2 1 1063 . 1 1 A 120 120 PHE CB C 120 38.400 37.794 0.606 2 1 1064 . 1 1 A 120 120 PHE N N 120 115.800 119.418 -3.618 2 1 1065 . 1 1 A 121 121 GLY H H 121 7.660 7.913 -0.253 2 1 1066 . 1 1 A 121 121 GLY HA2 H 121 3.830 4.123 -0.293 2 1 1067 . 1 1 A 121 121 GLY HA3 H 121 4.350 4.137 0.213 2 1 1068 . 1 1 A 121 121 GLY C C 121 174.700 175.012 -0.312 2 1 1069 . 1 1 A 121 121 GLY CA C 121 45.300 44.836 0.464 2 1 1070 . 1 1 A 121 121 GLY N N 121 106.800 108.855 -2.055 2 1 1071 . 1 1 A 122 122 GLY H H 122 7.620 8.597 -0.977 2 1 1072 . 1 1 A 122 122 GLY HA2 H 122 4.000 4.016 -0.016 2 1 1073 . 1 1 A 122 122 GLY HA3 H 122 4.320 4.079 0.241 2 1 1074 . 1 1 A 122 122 GLY C C 122 173.800 174.633 -0.833 2 1 1075 . 1 1 A 122 122 GLY CA C 122 44.800 45.631 -0.831 2 1 1076 . 1 1 A 122 122 GLY N N 122 108.400 108.745 -0.345 2 1 1077 . 1 1 A 123 123 GLU H H 123 8.490 8.963 -0.473 2 1 1078 . 1 1 A 123 123 GLU HA H 123 4.160 4.066 0.094 2 1 1082 . 1 1 A 123 123 GLU C C 123 177.700 176.030 1.670 2 1 1083 . 1 1 A 123 123 GLU CA C 123 57.900 57.332 0.568 2 1 1084 . 1 1 A 123 123 GLU CB C 123 30.400 28.425 1.975 2 1 1085 . 1 1 A 123 123 GLU N N 123 117.700 117.842 -0.142 2 1 1086 . 1 1 A 124 124 ILE H H 124 7.890 8.618 -0.728 2 1 1087 . 1 1 A 124 124 ILE HA H 124 4.090 3.974 0.116 2 1 1096 . 1 1 A 124 124 ILE C C 124 176.700 174.842 1.858 2 1 1097 . 1 1 A 124 124 ILE CA C 124 62.000 62.062 -0.062 2 1 1098 . 1 1 A 124 124 ILE CB C 124 37.500 35.687 1.813 2 1 1099 . 1 1 A 124 124 ILE N N 124 119.900 118.409 1.491 2 1 1100 . 1 1 A 125 125 LYS H H 125 8.600 8.022 0.578 2 1 1101 . 1 1 A 125 125 LYS HA H 125 4.590 4.840 -0.250 2 1 1104 . 1 1 A 125 125 LYS C C 125 174.400 174.408 -0.008 2 1 1105 . 1 1 A 125 125 LYS CA C 125 55.600 54.753 0.847 2 1 1106 . 1 1 A 125 125 LYS CB C 125 33.000 36.404 -3.404 2 1 1107 . 1 1 A 125 125 LYS N N 125 125.500 125.276 0.224 2 1 1108 . 1 1 A 126 126 THR H H 126 6.860 8.587 -1.727 2 1 1109 . 1 1 A 126 126 THR HA H 126 4.940 5.026 -0.086 2 1 1114 . 1 1 A 126 126 THR C C 126 172.000 173.692 -1.692 2 1 1115 . 1 1 A 126 126 THR CA C 126 62.100 61.105 0.995 2 1 1116 . 1 1 A 126 126 THR CB C 126 69.700 70.150 -0.449 2 1 1117 . 1 1 A 126 126 THR N N 126 116.200 115.730 0.470 2 1 1118 . 1 1 A 127 127 HIS H H 127 8.870 8.597 0.273 2 1 1119 . 1 1 A 127 127 HIS HA H 127 5.470 5.572 -0.102 2 1 1121 . 1 1 A 127 127 HIS C C 127 173.600 172.715 0.885 2 1 1122 . 1 1 A 127 127 HIS CA C 127 53.700 53.969 -0.269 2 1 1123 . 1 1 A 127 127 HIS CB C 127 35.300 33.519 1.781 2 1 1124 . 1 1 A 127 127 HIS N N 127 125.900 122.362 3.538 2 1 1125 . 1 1 A 128 128 ILE H H 128 9.200 8.849 0.351 2 1 1126 . 1 1 A 128 128 ILE HA H 128 4.890 4.824 0.065 2 1 1134 . 1 1 A 128 128 ILE C C 128 171.100 173.818 -2.718 2 1 1135 . 1 1 A 128 128 ILE CA C 128 58.900 59.512 -0.612 2 1 1136 . 1 1 A 128 128 ILE CB C 128 40.200 40.662 -0.462 2 1 1137 . 1 1 A 128 128 ILE N N 128 122.600 119.265 3.335 2 1 1138 . 1 1 A 129 129 LEU H H 129 9.070 9.265 -0.195 2 1 1139 . 1 1 A 129 129 LEU HA H 129 5.040 5.332 -0.292 2 1 1148 . 1 1 A 129 129 LEU C C 129 174.300 174.569 -0.269 2 1 1149 . 1 1 A 129 129 LEU CA C 129 53.400 53.346 0.054 2 1 1150 . 1 1 A 129 129 LEU CB C 129 43.600 44.910 -1.310 2 1 1151 . 1 1 A 129 129 LEU N N 129 128.800 128.145 0.655 2 1 1152 . 1 1 A 130 130 LEU H H 130 8.680 9.079 -0.399 2 1 1153 . 1 1 A 130 130 LEU HA H 130 4.640 5.152 -0.512 2 1 1162 . 1 1 A 130 130 LEU C C 130 174.400 174.795 -0.395 2 1 1163 . 1 1 A 130 130 LEU CA C 130 52.700 52.687 0.013 2 1 1164 . 1 1 A 130 130 LEU CB C 130 41.600 45.847 -4.247 2 1 1165 . 1 1 A 130 130 LEU N N 130 123.200 127.880 -4.680 2 1 1166 . 1 1 A 131 131 PHE H H 131 9.100 8.770 0.330 2 1 1167 . 1 1 A 131 131 PHE HA H 131 4.630 4.918 -0.287 2 1 1170 . 1 1 A 131 131 PHE C C 131 173.600 174.557 -0.957 2 1 1171 . 1 1 A 131 131 PHE CA C 131 56.800 56.713 0.087 2 1 1172 . 1 1 A 131 131 PHE CB C 131 39.200 39.939 -0.739 2 1 1173 . 1 1 A 131 131 PHE N N 131 127.500 127.019 0.481 2 1 1174 . 1 1 A 132 132 LEU H H 132 9.000 8.683 0.317 2 1 1175 . 1 1 A 132 132 LEU HA H 132 5.020 4.767 0.253 2 1 1183 . 1 1 A 132 132 LEU CA C 132 50.700 50.928 -0.228 2 1 1184 . 1 1 A 132 132 LEU CB C 132 44.400 44.538 -0.138 2 1 1185 . 1 1 A 132 132 LEU N N 132 127.100 126.254 0.846 2 1 1186 . 1 1 A 133 133 PRO HA H 133 4.770 4.464 0.306 2 1 1187 . 1 1 A 133 133 PRO C C 133 179.100 178.587 0.513 2 1 1188 . 1 1 A 133 133 PRO CA C 133 62.300 65.562 -3.262 2 1 1189 . 1 1 A 133 133 PRO CB C 133 31.600 31.443 0.157 2 1 1190 . 1 1 A 134 134 LYS H H 134 8.300 7.997 0.303 2 1 1191 . 1 1 A 134 134 LYS HA H 134 4.070 4.287 -0.217 2 1 1195 . 1 1 A 134 134 LYS C C 134 176.700 176.764 -0.064 2 1 1196 . 1 1 A 134 134 LYS CA C 134 58.900 58.167 0.733 2 1 1197 . 1 1 A 134 134 LYS CB C 134 32.000 33.080 -1.080 2 1 1198 . 1 1 A 134 134 LYS N N 134 123.900 118.237 5.663 2 1 1199 . 1 1 A 135 135 SER H H 135 7.610 8.081 -0.471 2 1 1200 . 1 1 A 135 135 SER HA H 135 4.250 4.352 -0.102 2 1 1202 . 1 1 A 135 135 SER C C 135 175.200 173.750 1.450 2 1 1203 . 1 1 A 135 135 SER CA C 135 58.200 59.143 -0.943 2 1 1204 . 1 1 A 135 135 SER CB C 135 63.300 62.710 0.590 2 1 1205 . 1 1 A 135 135 SER N N 135 108.200 113.159 -4.959 2 1 1206 . 1 1 A 136 136 VAL H H 136 7.500 7.758 -0.258 2 1 1207 . 1 1 A 136 136 VAL HA H 136 4.210 4.092 0.118 2 1 1215 . 1 1 A 136 136 VAL C C 136 175.100 176.295 -1.195 2 1 1216 . 1 1 A 136 136 VAL CA C 136 61.900 62.547 -0.647 2 1 1217 . 1 1 A 136 136 VAL CB C 136 32.600 32.598 0.002 2 1 1218 . 1 1 A 136 136 VAL N N 136 122.800 119.542 3.258 2 1 1219 . 1 1 A 137 137 SER H H 137 8.450 8.863 -0.413 2 1 1220 . 1 1 A 137 137 SER HA H 137 4.300 4.689 -0.390 2 1 1222 . 1 1 A 137 137 SER C C 137 175.200 174.554 0.646 2 1 1223 . 1 1 A 137 137 SER CA C 137 59.700 60.084 -0.384 2 1 1224 . 1 1 A 137 137 SER CB C 137 63.000 62.478 0.522 2 1 1225 . 1 1 A 137 137 SER N N 137 120.800 119.161 1.639 2 1 1226 . 1 1 A 138 138 ASP H H 138 8.980 8.299 0.681 2 1 1227 . 1 1 A 138 138 ASP HA H 138 4.630 4.584 0.046 2 1 1230 . 1 1 A 138 138 ASP C C 138 174.800 176.682 -1.882 2 1 1231 . 1 1 A 138 138 ASP CA C 138 54.000 54.505 -0.505 2 1 1232 . 1 1 A 138 138 ASP CB C 138 39.300 40.849 -1.549 2 1 1233 . 1 1 A 138 138 ASP N N 138 122.400 120.971 1.429 2 1 1234 . 1 1 A 139 139 TYR H H 139 7.620 8.247 -0.627 2 1 1235 . 1 1 A 139 139 TYR HA H 139 3.530 4.120 -0.590 2 1 1238 . 1 1 A 139 139 TYR C C 139 176.400 177.555 -1.155 2 1 1239 . 1 1 A 139 139 TYR CA C 139 62.800 60.902 1.898 2 1 1240 . 1 1 A 139 139 TYR CB C 139 39.100 37.205 1.895 2 1 1241 . 1 1 A 139 139 TYR N N 139 120.500 119.320 1.180 2 1 1242 . 1 1 A 140 140 ASP H H 140 8.690 7.316 1.374 2 1 1243 . 1 1 A 140 140 ASP HA H 140 4.210 4.150 0.060 2 1 1245 . 1 1 A 140 140 ASP C C 140 179.300 178.919 0.381 2 1 1246 . 1 1 A 140 140 ASP CA C 140 57.200 56.883 0.317 2 1 1247 . 1 1 A 140 140 ASP CB C 140 40.400 40.306 0.094 2 1 1248 . 1 1 A 140 140 ASP N N 140 115.200 121.756 -6.556 2 1 1249 . 1 1 A 141 141 GLY H H 141 7.800 8.089 -0.289 2 1 1250 . 1 1 A 141 141 GLY HA2 H 141 3.800 3.676 0.124 2 1 1251 . 1 1 A 141 141 GLY HA3 H 141 4.070 3.687 0.383 2 1 1252 . 1 1 A 141 141 GLY C C 141 176.800 175.782 1.018 2 1 1253 . 1 1 A 141 141 GLY CA C 141 47.000 47.314 -0.314 2 1 1254 . 1 1 A 141 141 GLY N N 141 110.300 107.782 2.518 2 1 1255 . 1 1 A 142 142 LYS H H 142 8.010 8.368 -0.358 2 1 1256 . 1 1 A 142 142 LYS HA H 142 4.030 4.015 0.015 2 1 1259 . 1 1 A 142 142 LYS C C 142 179.000 178.769 0.231 2 1 1260 . 1 1 A 142 142 LYS CA C 142 59.700 59.199 0.501 2 1 1261 . 1 1 A 142 142 LYS CB C 142 33.000 32.199 0.801 2 1 1262 . 1 1 A 142 142 LYS N N 142 123.200 121.823 1.377 2 1 1263 . 1 1 A 143 143 LEU H H 143 8.090 8.285 -0.195 2 1 1264 . 1 1 A 143 143 LEU HA H 143 3.760 3.962 -0.202 2 1 1273 . 1 1 A 143 143 LEU C C 143 179.000 178.629 0.371 2 1 1274 . 1 1 A 143 143 LEU CA C 143 57.500 58.038 -0.538 2 1 1275 . 1 1 A 143 143 LEU CB C 143 40.600 41.362 -0.762 2 1 1276 . 1 1 A 143 143 LEU N N 143 120.000 121.737 -1.737 2 1 1277 . 1 1 A 144 144 SER H H 144 8.350 8.312 0.038 2 1 1278 . 1 1 A 144 144 SER HA H 144 4.120 4.039 0.081 2 1 1280 . 1 1 A 144 144 SER C C 144 177.300 176.990 0.310 2 1 1281 . 1 1 A 144 144 SER CA C 144 61.900 61.827 0.073 2 1 1282 . 1 1 A 144 144 SER CB C 144 62.300 62.813 -0.513 2 1 1283 . 1 1 A 144 144 SER N N 144 114.600 115.178 -0.578 2 1 1284 . 1 1 A 145 145 ASN H H 145 7.980 8.202 -0.222 2 1 1285 . 1 1 A 145 145 ASN HA H 145 4.460 4.564 -0.104 2 1 1288 . 1 1 A 145 145 ASN C C 145 176.300 178.272 -1.972 2 1 1289 . 1 1 A 145 145 ASN CA C 145 56.600 56.318 0.282 2 1 1290 . 1 1 A 145 145 ASN CB C 145 38.600 38.548 0.052 2 1 1291 . 1 1 A 145 145 ASN N N 145 121.600 120.159 1.441 2 1 1292 . 1 1 A 146 146 PHE H H 146 7.710 8.768 -1.058 2 1 1293 . 1 1 A 146 146 PHE HA H 146 4.370 4.207 0.163 2 1 1296 . 1 1 A 146 146 PHE C C 146 176.200 178.230 -2.030 2 1 1297 . 1 1 A 146 146 PHE CA C 146 61.500 61.306 0.194 2 1 1298 . 1 1 A 146 146 PHE CB C 146 40.500 38.934 1.566 2 1 1299 . 1 1 A 146 146 PHE N N 146 121.800 118.454 3.346 2 1 1300 . 1 1 A 147 147 LYS H H 147 8.510 8.517 -0.007 2 1 1301 . 1 1 A 147 147 LYS HA H 147 3.620 3.963 -0.343 2 1 1305 . 1 1 A 147 147 LYS C C 147 178.200 178.708 -0.508 2 1 1306 . 1 1 A 147 147 LYS CA C 147 59.600 59.569 0.032 2 1 1307 . 1 1 A 147 147 LYS CB C 147 32.400 32.384 0.016 2 1 1308 . 1 1 A 147 147 LYS N N 147 117.700 118.260 -0.560 2 1 1309 . 1 1 A 148 148 THR H H 148 8.280 7.942 0.338 2 1 1310 . 1 1 A 148 148 THR HA H 148 3.870 4.008 -0.138 2 1 1315 . 1 1 A 148 148 THR C C 148 177.200 177.083 0.117 2 1 1316 . 1 1 A 148 148 THR CA C 148 66.600 65.875 0.725 2 1 1317 . 1 1 A 148 148 THR CB C 148 68.200 68.276 -0.076 2 1 1318 . 1 1 A 148 148 THR N N 148 116.200 114.074 2.126 2 1 1319 . 1 1 A 149 149 ALA H H 149 7.570 8.222 -0.652 2 1 1320 . 1 1 A 149 149 ALA HA H 149 4.030 3.899 0.131 2 1 1324 . 1 1 A 149 149 ALA C C 149 177.700 179.288 -1.588 2 1 1325 . 1 1 A 149 149 ALA CA C 149 54.900 55.219 -0.319 2 1 1326 . 1 1 A 149 149 ALA CB C 149 18.700 17.995 0.705 2 1 1327 . 1 1 A 149 149 ALA N N 149 124.000 123.951 0.049 2 1 1328 . 1 1 A 150 150 ALA H H 150 7.360 8.500 -1.140 2 1 1329 . 1 1 A 150 150 ALA HA H 150 1.860 3.809 -1.949 2 1 1333 . 1 1 A 150 150 ALA C C 150 180.600 179.554 1.046 2 1 1334 . 1 1 A 150 150 ALA CA C 150 53.900 55.229 -1.329 2 1 1335 . 1 1 A 150 150 ALA CB C 150 19.500 18.181 1.319 2 1 1336 . 1 1 A 150 150 ALA N N 150 119.700 120.406 -0.706 2 1 1337 . 1 1 A 151 151 GLU H H 151 7.050 8.412 -1.362 2 1 1338 . 1 1 A 151 151 GLU HA H 151 3.680 4.043 -0.363 2 1 1342 . 1 1 A 151 151 GLU C C 151 178.500 178.833 -0.333 2 1 1343 . 1 1 A 151 151 GLU CA C 151 59.000 59.262 -0.262 2 1 1344 . 1 1 A 151 151 GLU CB C 151 30.000 29.363 0.636 2 1 1345 . 1 1 A 151 151 GLU N N 151 114.200 118.401 -4.201 2 1 1346 . 1 1 A 152 152 SER H H 152 7.510 7.907 -0.397 2 1 1347 . 1 1 A 152 152 SER HA H 152 4.160 4.116 0.044 2 1 1350 . 1 1 A 152 152 SER C C 152 173.400 175.613 -2.213 2 1 1351 . 1 1 A 152 152 SER CA C 152 60.600 62.135 -1.535 2 1 1352 . 1 1 A 152 152 SER CB C 152 63.500 63.074 0.426 2 1 1353 . 1 1 A 152 152 SER N N 152 111.900 116.550 -4.650 2 1 1354 . 1 1 A 153 153 PHE H H 153 7.240 7.800 -0.560 2 1 1355 . 1 1 A 153 153 PHE HA H 153 4.750 4.823 -0.073 2 1 1358 . 1 1 A 153 153 PHE C C 153 174.600 175.056 -0.456 2 1 1359 . 1 1 A 153 153 PHE CA C 153 57.200 56.777 0.423 2 1 1360 . 1 1 A 153 153 PHE CB C 153 41.300 38.651 2.649 2 1 1361 . 1 1 A 153 153 PHE N N 153 115.800 116.341 -0.541 2 1 1362 . 1 1 A 154 154 LYS H H 154 7.320 7.340 -0.019 2 1 1363 . 1 1 A 154 154 LYS HA H 154 4.380 4.151 0.229 2 1 1368 . 1 1 A 154 154 LYS C C 154 178.200 177.224 0.976 2 1 1369 . 1 1 A 154 154 LYS CA C 154 58.500 57.364 1.136 2 1 1370 . 1 1 A 154 154 LYS CB C 154 31.900 32.394 -0.494 2 1 1371 . 1 1 A 154 154 LYS N N 154 124.000 120.557 3.443 2 1 1372 . 1 1 A 155 155 GLY H H 155 9.720 8.931 0.789 2 1 1373 . 1 1 A 155 155 GLY HA2 H 155 3.620 3.970 -0.349 2 1 1374 . 1 1 A 155 155 GLY HA3 H 155 4.290 3.991 0.299 2 1 1375 . 1 1 A 155 155 GLY C C 155 173.200 174.038 -0.838 2 1 1376 . 1 1 A 155 155 GLY CA C 155 45.500 45.620 -0.120 2 1 1377 . 1 1 A 155 155 GLY N N 155 115.400 113.671 1.729 2 1 1378 . 1 1 A 156 156 LYS H H 156 8.400 7.858 0.542 2 1 1379 . 1 1 A 156 156 LYS HA H 156 4.630 4.498 0.132 2 1 1383 . 1 1 A 156 156 LYS C C 156 175.000 175.736 -0.736 2 1 1384 . 1 1 A 156 156 LYS CA C 156 57.100 56.980 0.120 2 1 1385 . 1 1 A 156 156 LYS CB C 156 35.800 35.352 0.448 2 1 1386 . 1 1 A 156 156 LYS N N 156 118.700 118.830 -0.130 2 1 1387 . 1 1 A 157 157 ILE H H 157 7.890 7.428 0.462 2 1 1388 . 1 1 A 157 157 ILE HA H 157 4.330 4.832 -0.501 2 1 1396 . 1 1 A 157 157 ILE C C 157 175.000 172.932 2.068 2 1 1397 . 1 1 A 157 157 ILE CA C 157 60.400 59.768 0.632 2 1 1398 . 1 1 A 157 157 ILE CB C 157 43.600 41.715 1.885 2 1 1399 . 1 1 A 157 157 ILE N N 157 116.600 118.192 -1.592 2 1 1400 . 1 1 A 158 158 LEU H H 158 8.300 8.641 -0.341 2 1 1401 . 1 1 A 158 158 LEU HA H 158 4.840 4.952 -0.112 2 1 1410 . 1 1 A 158 158 LEU C C 158 175.000 174.907 0.093 2 1 1411 . 1 1 A 158 158 LEU CA C 158 54.500 52.817 1.683 2 1 1412 . 1 1 A 158 158 LEU CB C 158 43.300 44.648 -1.348 2 1 1413 . 1 1 A 158 158 LEU N N 158 129.800 128.446 1.354 2 1 1414 . 1 1 A 159 159 PHE H H 159 9.310 8.706 0.604 2 1 1415 . 1 1 A 159 159 PHE HA H 159 4.890 5.049 -0.159 2 1 1418 . 1 1 A 159 159 PHE C C 159 178.500 175.646 2.854 2 1 1419 . 1 1 A 159 159 PHE CA C 159 56.600 57.217 -0.617 2 1 1420 . 1 1 A 159 159 PHE CB C 159 39.100 40.303 -1.204 2 1 1421 . 1 1 A 159 159 PHE N N 159 130.000 125.887 4.113 2 1 1422 . 1 1 A 160 160 ILE H H 160 9.130 9.757 -0.627 2 1 1423 . 1 1 A 160 160 ILE HA H 160 5.470 5.162 0.308 2 1 1431 . 1 1 A 160 160 ILE C C 160 174.500 175.596 -1.096 2 1 1432 . 1 1 A 160 160 ILE CA C 160 58.700 59.688 -0.988 2 1 1433 . 1 1 A 160 160 ILE CB C 160 42.000 40.761 1.239 2 1 1434 . 1 1 A 160 160 ILE N N 160 124.100 121.733 2.367 2 1 1435 . 1 1 A 161 161 PHE H H 161 8.920 8.450 0.470 2 1 1436 . 1 1 A 161 161 PHE HA H 161 5.780 5.984 -0.204 2 1 1439 . 1 1 A 161 161 PHE C C 161 172.800 173.179 -0.379 2 1 1440 . 1 1 A 161 161 PHE CA C 161 54.500 55.079 -0.579 2 1 1441 . 1 1 A 161 161 PHE CB C 161 42.700 42.715 -0.015 2 1 1442 . 1 1 A 161 161 PHE N N 161 122.600 119.920 2.680 2 1 1443 . 1 1 A 162 162 ILE H H 162 8.780 9.354 -0.575 2 1 1444 . 1 1 A 162 162 ILE HA H 162 4.310 5.013 -0.703 2 1 1451 . 1 1 A 162 162 ILE C C 162 174.000 173.845 0.155 2 1 1452 . 1 1 A 162 162 ILE CA C 162 59.600 59.426 0.174 2 1 1453 . 1 1 A 162 162 ILE CB C 162 42.300 41.220 1.080 2 1 1454 . 1 1 A 162 162 ILE N N 162 121.400 121.046 0.354 2 1 1455 . 1 1 A 163 163 ASP H H 163 8.410 8.756 -0.346 2 1 1456 . 1 1 A 163 163 ASP HA H 163 5.370 4.928 0.442 2 1 1459 . 1 1 A 163 163 ASP C C 163 178.300 177.107 1.193 2 1 1460 . 1 1 A 163 163 ASP CA C 163 52.600 54.272 -1.672 2 1 1461 . 1 1 A 163 163 ASP CB C 163 40.500 41.852 -1.352 2 1 1462 . 1 1 A 163 163 ASP N N 163 123.800 127.944 -4.144 2 1 1463 . 1 1 A 164 164 SER H H 164 7.470 9.024 -1.554 2 1 1464 . 1 1 A 164 164 SER HA H 164 3.990 4.146 -0.156 2 1 1467 . 1 1 A 164 164 SER C C 164 173.900 174.310 -0.410 2 1 1468 . 1 1 A 164 164 SER CA C 164 60.500 62.352 -1.852 2 1 1469 . 1 1 A 164 164 SER CB C 164 64.500 62.881 1.619 2 1 1470 . 1 1 A 164 164 SER N N 164 124.000 120.593 3.407 2 1 1471 . 1 1 A 165 165 ASP H H 165 8.360 8.055 0.305 2 1 1472 . 1 1 A 165 165 ASP HA H 165 4.670 4.329 0.341 2 1 1475 . 1 1 A 165 165 ASP C C 165 177.400 176.576 0.824 2 1 1476 . 1 1 A 165 165 ASP CA C 165 55.600 55.097 0.503 2 1 1477 . 1 1 A 165 165 ASP CB C 165 41.300 39.067 2.233 2 1 1478 . 1 1 A 165 165 ASP N N 165 119.300 117.893 1.407 2 1 1479 . 1 1 A 166 166 HIS H H 166 7.260 8.012 -0.752 2 1 1480 . 1 1 A 166 166 HIS HA H 166 4.400 4.366 0.034 2 1 1482 . 1 1 A 166 166 HIS CA C 166 58.300 58.516 -0.216 2 1 1483 . 1 1 A 166 166 HIS CB C 166 31.900 29.209 2.691 2 1 1484 . 1 1 A 166 166 HIS N N 166 121.400 117.419 3.981 2 1 1485 . 1 1 A 167 167 THR HA H 167 4.050 4.317 -0.267 2 1 1490 . 1 1 A 167 167 THR C C 167 176.800 175.834 0.966 2 1 1491 . 1 1 A 167 167 THR CA C 167 66.000 63.564 2.436 2 1 1492 . 1 1 A 167 167 THR CB C 167 68.600 69.575 -0.974 2 1 1493 . 1 1 A 168 168 ASP H H 168 11.030 8.286 2.744 2 1 1494 . 1 1 A 168 168 ASP HA H 168 4.640 4.460 0.180 2 1 1497 . 1 1 A 168 168 ASP C C 168 177.500 177.661 -0.161 2 1 1498 . 1 1 A 168 168 ASP CA C 168 56.800 56.845 -0.045 2 1 1499 . 1 1 A 168 168 ASP CB C 168 39.800 40.563 -0.763 2 1 1500 . 1 1 A 168 168 ASP N N 168 124.900 121.595 3.305 2 1 1501 . 1 1 A 169 169 ASN H H 169 7.970 8.705 -0.735 2 1 1502 . 1 1 A 169 169 ASN HA H 169 5.260 4.747 0.513 2 1 1505 . 1 1 A 169 169 ASN C C 169 176.100 176.572 -0.472 2 1 1506 . 1 1 A 169 169 ASN CA C 169 52.700 53.537 -0.837 2 1 1507 . 1 1 A 169 169 ASN CB C 169 38.600 38.337 0.262 2 1 1508 . 1 1 A 169 169 ASN N N 169 114.600 117.188 -2.588 2 1 1509 . 1 1 A 170 170 GLN H H 170 7.660 8.060 -0.400 2 1 1510 . 1 1 A 170 170 GLN HA H 170 4.020 4.017 0.003 2 1 1513 . 1 1 A 170 170 GLN C C 170 178.100 178.385 -0.285 2 1 1514 . 1 1 A 170 170 GLN CA C 170 59.500 59.063 0.437 2 1 1515 . 1 1 A 170 170 GLN CB C 170 28.000 28.432 -0.432 2 1 1516 . 1 1 A 170 170 GLN N N 170 121.400 119.217 2.183 2 1 1517 . 1 1 A 171 171 ARG H H 171 8.570 7.854 0.716 2 1 1518 . 1 1 A 171 171 ARG HA H 171 4.250 4.119 0.131 2 1 1521 . 1 1 A 171 171 ARG C C 171 178.700 178.739 -0.039 2 1 1522 . 1 1 A 171 171 ARG CA C 171 58.700 58.880 -0.180 2 1 1523 . 1 1 A 171 171 ARG CB C 171 29.100 30.101 -1.001 2 1 1524 . 1 1 A 171 171 ARG N N 171 117.500 119.191 -1.691 2 1 1525 . 1 1 A 172 172 ILE H H 172 7.700 7.965 -0.265 2 1 1526 . 1 1 A 172 172 ILE HA H 172 4.010 3.737 0.273 2 1 1534 . 1 1 A 172 172 ILE C C 172 177.600 178.372 -0.772 2 1 1535 . 1 1 A 172 172 ILE CA C 172 63.300 65.354 -2.054 2 1 1536 . 1 1 A 172 172 ILE CB C 172 37.000 37.791 -0.791 2 1 1537 . 1 1 A 172 172 ILE N N 172 121.000 120.319 0.681 2 1 1538 . 1 1 A 173 173 LEU H H 173 7.400 8.006 -0.606 2 1 1539 . 1 1 A 173 173 LEU HA H 173 3.740 3.991 -0.251 2 1 1548 . 1 1 A 173 173 LEU C C 173 179.500 179.156 0.344 2 1 1549 . 1 1 A 173 173 LEU CA C 173 60.500 58.263 2.237 2 1 1550 . 1 1 A 173 173 LEU CB C 173 40.500 41.431 -0.931 2 1 1551 . 1 1 A 173 173 LEU N N 173 121.400 120.061 1.339 2 1 1552 . 1 1 A 174 174 GLU H H 174 8.030 8.183 -0.153 2 1 1553 . 1 1 A 174 174 GLU HA H 174 4.000 3.947 0.053 2 1 1557 . 1 1 A 174 174 GLU C C 174 180.200 178.933 1.267 2 1 1558 . 1 1 A 174 174 GLU CA C 174 59.200 59.610 -0.410 2 1 1559 . 1 1 A 174 174 GLU CB C 174 29.300 29.488 -0.188 2 1 1560 . 1 1 A 174 174 GLU N N 174 117.200 119.367 -2.167 2 1 1561 . 1 1 A 175 175 PHE H H 175 8.000 7.905 0.095 2 1 1562 . 1 1 A 175 175 PHE HA H 175 4.150 4.256 -0.106 2 1 1565 . 1 1 A 175 175 PHE C C 175 176.400 178.181 -1.781 2 1 1566 . 1 1 A 175 175 PHE CA C 175 60.800 61.491 -0.691 2 1 1567 . 1 1 A 175 175 PHE CB C 175 38.700 38.996 -0.296 2 1 1568 . 1 1 A 175 175 PHE N N 175 122.000 120.905 1.095 2 1 1569 . 1 1 A 176 176 PHE H H 176 7.510 7.825 -0.315 2 1 1570 . 1 1 A 176 176 PHE HA H 176 4.110 4.353 -0.243 2 1 1573 . 1 1 A 176 176 PHE C C 176 175.000 175.699 -0.699 2 1 1574 . 1 1 A 176 176 PHE CA C 176 59.300 59.867 -0.567 2 1 1575 . 1 1 A 176 176 PHE CB C 176 40.000 39.759 0.241 2 1 1576 . 1 1 A 176 176 PHE N N 176 113.100 118.740 -5.640 2 1 1577 . 1 1 A 177 177 GLY H H 177 8.030 7.928 0.102 2 1 1578 . 1 1 A 177 177 GLY HA2 H 177 3.850 3.890 -0.040 2 1 1579 . 1 1 A 177 177 GLY C C 177 173.900 174.352 -0.452 2 1 1580 . 1 1 A 177 177 GLY CA C 177 46.500 46.906 -0.406 2 1 1581 . 1 1 A 177 177 GLY N N 177 110.900 108.355 2.545 2 1 1582 . 1 1 A 178 178 LEU H H 178 7.730 7.857 -0.127 2 1 1583 . 1 1 A 178 178 LEU HA H 178 4.440 4.778 -0.338 2 1 1592 . 1 1 A 178 178 LEU C C 178 175.800 175.428 0.373 2 1 1593 . 1 1 A 178 178 LEU CA C 178 53.500 53.616 -0.116 2 1 1594 . 1 1 A 178 178 LEU CB C 178 45.900 44.945 0.955 2 1 1595 . 1 1 A 178 178 LEU N N 178 120.700 120.905 -0.205 2 1 1596 . 1 1 A 179 179 LYS H H 179 8.170 8.493 -0.323 2 1 1597 . 1 1 A 179 179 LYS HA H 179 4.530 4.701 -0.171 2 1 1600 . 1 1 A 179 179 LYS C C 179 178.500 177.196 1.304 2 1 1601 . 1 1 A 179 179 LYS CA C 179 54.000 54.632 -0.632 2 1 1602 . 1 1 A 179 179 LYS CB C 179 34.100 34.538 -0.438 2 1 1603 . 1 1 A 179 179 LYS N N 179 119.500 123.203 -3.703 2 1 1604 . 1 1 A 180 180 LYS H H 180 9.110 8.764 0.346 2 1 1605 . 1 1 A 180 180 LYS HA H 180 3.820 4.033 -0.213 2 1 1609 . 1 1 A 180 180 LYS C C 180 179.600 178.161 1.439 2 1 1610 . 1 1 A 180 180 LYS CA C 180 60.900 59.934 0.966 2 1 1611 . 1 1 A 180 180 LYS CB C 180 32.100 32.232 -0.132 2 1 1612 . 1 1 A 180 180 LYS N N 180 124.200 121.446 2.754 2 1 1613 . 1 1 A 181 181 GLU H H 181 9.460 8.429 1.031 2 1 1614 . 1 1 A 181 181 GLU HA H 181 4.220 4.271 -0.051 2 1 1617 . 1 1 A 181 181 GLU C C 181 176.700 176.650 0.050 2 1 1618 . 1 1 A 181 181 GLU CA C 181 58.700 57.555 1.145 2 1 1619 . 1 1 A 181 181 GLU CB C 181 28.300 29.091 -0.791 2 1 1620 . 1 1 A 181 181 GLU N N 181 116.600 117.605 -1.005 2 1 1621 . 1 1 A 182 182 GLU H H 182 7.660 8.366 -0.706 2 1 1622 . 1 1 A 182 182 GLU HA H 182 4.320 4.268 0.053 2 1 1625 . 1 1 A 182 182 GLU C C 182 174.900 175.570 -0.670 2 1 1626 . 1 1 A 182 182 GLU CA C 182 55.700 56.178 -0.478 2 1 1627 . 1 1 A 182 182 GLU CB C 182 30.600 28.532 2.068 2 1 1628 . 1 1 A 182 182 GLU N N 182 118.300 119.452 -1.152 2 1 1629 . 1 1 A 183 183 CYS H H 183 7.090 8.136 -1.046 2 1 1630 . 1 1 A 183 183 CYS HA H 183 4.270 5.015 -0.745 2 1 1633 . 1 1 A 183 183 CYS CA C 183 58.200 57.055 1.145 2 1 1634 . 1 1 A 183 183 CYS CB C 183 27.400 29.407 -2.007 2 1 1635 . 1 1 A 183 183 CYS N N 183 117.700 121.355 -3.655 2 1 1636 . 1 1 A 184 184 PRO HA H 184 5.370 4.918 0.452 2 1 1637 . 1 1 A 184 184 PRO C C 184 174.300 175.926 -1.626 2 1 1638 . 1 1 A 184 184 PRO CA C 184 61.500 63.323 -1.823 2 1 1639 . 1 1 A 184 184 PRO CB C 184 36.000 32.572 3.427 2 1 1640 . 1 1 A 185 185 ALA H H 185 8.370 8.629 -0.259 2 1 1641 . 1 1 A 185 185 ALA HA H 185 4.790 4.870 -0.080 2 1 1645 . 1 1 A 185 185 ALA C C 185 174.800 175.065 -0.265 2 1 1646 . 1 1 A 185 185 ALA CA C 185 51.600 51.102 0.498 2 1 1647 . 1 1 A 185 185 ALA CB C 185 23.400 23.692 -0.292 2 1 1648 . 1 1 A 185 185 ALA N N 185 123.000 121.375 1.625 2 1 1649 . 1 1 A 186 186 VAL H H 186 8.660 8.699 -0.039 2 1 1650 . 1 1 A 186 186 VAL HA H 186 5.710 4.802 0.908 2 1 1655 . 1 1 A 186 186 VAL C C 186 176.500 174.185 2.315 2 1 1656 . 1 1 A 186 186 VAL CA C 186 59.300 60.106 -0.806 2 1 1657 . 1 1 A 186 186 VAL CB C 186 35.300 34.258 1.042 2 1 1658 . 1 1 A 186 186 VAL N N 186 117.900 118.589 -0.689 2 1 1659 . 1 1 A 187 187 ARG H H 187 8.910 9.051 -0.141 2 1 1660 . 1 1 A 187 187 ARG HA H 187 5.000 5.280 -0.280 2 1 1663 . 1 1 A 187 187 ARG C C 187 172.600 174.216 -1.616 2 1 1664 . 1 1 A 187 187 ARG CA C 187 53.000 54.331 -1.331 2 1 1665 . 1 1 A 187 187 ARG CB C 187 35.900 34.156 1.744 2 1 1666 . 1 1 A 187 187 ARG N N 187 123.000 127.559 -4.559 2 1 1667 . 1 1 A 188 188 LEU H H 188 8.790 9.185 -0.395 2 1 1668 . 1 1 A 188 188 LEU HA H 188 5.420 5.218 0.202 2 1 1677 . 1 1 A 188 188 LEU C C 188 174.600 175.245 -0.645 2 1 1678 . 1 1 A 188 188 LEU CA C 188 54.300 53.395 0.905 2 1 1679 . 1 1 A 188 188 LEU CB C 188 47.300 45.211 2.090 2 1 1680 . 1 1 A 188 188 LEU N N 188 124.700 125.519 -0.819 2 1 1681 . 1 1 A 189 189 ILE H H 189 9.590 8.987 0.603 2 1 1682 . 1 1 A 189 189 ILE HA H 189 5.880 5.175 0.705 2 1 1690 . 1 1 A 189 189 ILE C C 189 173.500 174.628 -1.128 2 1 1691 . 1 1 A 189 189 ILE CA C 189 58.400 59.498 -1.099 2 1 1692 . 1 1 A 189 189 ILE CB C 189 43.000 41.666 1.334 2 1 1693 . 1 1 A 189 189 ILE N N 189 121.800 124.117 -2.317 2 1 1694 . 1 1 A 190 190 THR H H 190 8.750 8.888 -0.138 2 1 1695 . 1 1 A 190 190 THR HA H 190 5.360 5.152 0.208 2 1 1700 . 1 1 A 190 190 THR C C 190 174.300 173.543 0.757 2 1 1701 . 1 1 A 190 190 THR CA C 190 58.800 60.552 -1.752 2 1 1702 . 1 1 A 190 190 THR CB C 190 70.400 72.063 -1.663 2 1 1703 . 1 1 A 190 190 THR N N 190 114.200 121.508 -7.308 2 1 1704 . 1 1 A 191 191 LEU H H 191 8.610 8.577 0.033 2 1 1705 . 1 1 A 191 191 LEU HA H 191 4.640 5.029 -0.389 2 1 1711 . 1 1 A 191 191 LEU C C 191 176.400 175.739 0.661 2 1 1712 . 1 1 A 191 191 LEU CA C 191 54.500 54.116 0.384 2 1 1713 . 1 1 A 191 191 LEU CB C 191 42.300 44.286 -1.986 2 1 1714 . 1 1 A 191 191 LEU N N 191 125.500 124.342 1.158 2 1 1715 . 1 1 A 192 192 GLU H H 192 7.540 8.434 -0.893 2 1 1716 . 1 1 A 192 192 GLU HA H 192 4.510 4.511 -0.001 2 1 1719 . 1 1 A 192 192 GLU C C 192 176.100 176.857 -0.757 2 1 1720 . 1 1 A 192 192 GLU CA C 192 56.300 57.002 -0.703 2 1 1721 . 1 1 A 192 192 GLU CB C 192 29.800 31.045 -1.245 2 1 1722 . 1 1 A 192 192 GLU N N 192 123.400 122.984 0.416 2 1 1723 . 1 1 A 193 193 GLU H H 193 8.490 8.606 -0.116 2 1 1724 . 1 1 A 193 193 GLU HA H 193 4.150 4.323 -0.173 2 1 1727 . 1 1 A 193 193 GLU C C 193 176.700 176.030 0.670 2 1 1728 . 1 1 A 193 193 GLU CA C 193 59.200 57.812 1.388 2 1 1729 . 1 1 A 193 193 GLU CB C 193 29.000 30.299 -1.299 2 1 1730 . 1 1 A 193 193 GLU N N 193 122.400 119.569 2.831 2 1 1731 . 1 1 A 194 194 GLU H H 194 7.990 7.767 0.223 2 1 1732 . 1 1 A 194 194 GLU HA H 194 4.460 4.699 -0.239 2 1 1736 . 1 1 A 194 194 GLU C C 194 175.700 174.648 1.052 2 1 1737 . 1 1 A 194 194 GLU CA C 194 54.900 55.309 -0.409 2 1 1738 . 1 1 A 194 194 GLU CB C 194 31.400 32.333 -0.933 2 1 1739 . 1 1 A 194 194 GLU N N 194 116.200 118.232 -2.032 2 1 1740 . 1 1 A 195 195 MET H H 195 8.760 8.603 0.157 2 1 1741 . 1 1 A 195 195 MET HA H 195 5.050 4.869 0.181 2 1 1746 . 1 1 A 195 195 MET C C 195 175.900 175.343 0.557 2 1 1747 . 1 1 A 195 195 MET CA C 195 56.000 54.261 1.738 2 1 1748 . 1 1 A 195 195 MET CB C 195 33.200 32.706 0.494 2 1 1749 . 1 1 A 195 195 MET N N 195 123.000 122.203 0.797 2 1 1750 . 1 1 A 196 196 THR H H 196 8.400 8.684 -0.284 2 1 1751 . 1 1 A 196 196 THR HA H 196 4.400 5.354 -0.954 2 1 1756 . 1 1 A 196 196 THR C C 196 172.000 173.676 -1.676 2 1 1757 . 1 1 A 196 196 THR CA C 196 62.900 60.293 2.607 2 1 1758 . 1 1 A 196 196 THR CB C 196 69.800 71.082 -1.282 2 1 1759 . 1 1 A 196 196 THR N N 196 122.000 117.106 4.894 2 1 1760 . 1 1 A 197 197 LYS H H 197 8.530 8.941 -0.411 2 1 1761 . 1 1 A 197 197 LYS HA H 197 5.420 5.093 0.328 2 1 1764 . 1 1 A 197 197 LYS C C 197 174.700 174.582 0.118 2 1 1765 . 1 1 A 197 197 LYS CA C 197 55.000 54.809 0.191 2 1 1766 . 1 1 A 197 197 LYS CB C 197 35.600 35.910 -0.310 2 1 1767 . 1 1 A 197 197 LYS N N 197 123.900 123.545 0.355 2 1 1768 . 1 1 A 198 198 TYR H H 198 9.540 9.424 0.116 2 1 1769 . 1 1 A 198 198 TYR HA H 198 4.880 5.370 -0.490 2 1 1772 . 1 1 A 198 198 TYR C C 198 174.400 173.686 0.714 2 1 1773 . 1 1 A 198 198 TYR CA C 198 57.700 56.391 1.309 2 1 1774 . 1 1 A 198 198 TYR CB C 198 41.700 42.004 -0.304 2 1 1775 . 1 1 A 198 198 TYR N N 198 117.900 124.088 -6.188 2 1 1776 . 1 1 A 199 199 LYS H H 199 9.290 8.448 0.842 2 1 1777 . 1 1 A 199 199 LYS HA H 199 5.070 4.882 0.188 2 1 1781 . 1 1 A 199 199 LYS CA C 199 52.500 53.252 -0.752 2 1 1782 . 1 1 A 199 199 LYS CB C 199 35.400 34.263 1.137 2 1 1783 . 1 1 A 199 199 LYS N N 199 122.600 127.422 -4.822 2 1 1784 . 1 1 A 200 200 PRO HA H 200 4.120 4.940 -0.820 2 1 1785 . 1 1 A 200 200 PRO C C 200 176.700 175.932 0.768 2 1 1786 . 1 1 A 200 200 PRO CA C 200 62.000 62.637 -0.637 2 1 1787 . 1 1 A 200 200 PRO CB C 200 31.200 33.608 -2.408 2 1 1788 . 1 1 A 201 201 GLU H H 201 9.010 9.011 -0.001 2 1 1789 . 1 1 A 201 201 GLU HA H 201 4.110 4.577 -0.467 2 1 1793 . 1 1 A 201 201 GLU C C 201 176.100 175.848 0.252 2 1 1794 . 1 1 A 201 201 GLU CA C 201 57.600 57.701 -0.101 2 1 1795 . 1 1 A 201 201 GLU CB C 201 30.400 31.956 -1.557 2 1 1796 . 1 1 A 201 201 GLU N N 201 119.700 119.582 0.118 2 1 1797 . 1 1 A 202 202 SER H H 202 7.570 8.092 -0.522 2 1 1798 . 1 1 A 202 202 SER HA H 202 4.650 4.585 0.065 2 1 1801 . 1 1 A 202 202 SER C C 202 174.400 174.006 0.394 2 1 1802 . 1 1 A 202 202 SER CA C 202 56.400 58.334 -1.934 2 1 1803 . 1 1 A 202 202 SER CB C 202 65.100 64.726 0.374 2 1 1804 . 1 1 A 202 202 SER N N 202 111.900 113.988 -2.088 2 1 1805 . 1 1 A 203 203 GLU H H 203 8.790 8.873 -0.083 2 1 1806 . 1 1 A 203 203 GLU HA H 203 4.370 5.180 -0.810 2 1 1809 . 1 1 A 203 203 GLU C C 203 176.100 175.125 0.975 2 1 1810 . 1 1 A 203 203 GLU CA C 203 56.200 54.928 1.272 2 1 1811 . 1 1 A 203 203 GLU CB C 203 29.500 32.350 -2.850 2 1 1812 . 1 1 A 203 203 GLU N N 203 122.800 122.593 0.207 2 1 1813 . 1 1 A 204 204 GLU H H 204 8.030 8.947 -0.917 2 1 1814 . 1 1 A 204 204 GLU HA H 204 4.110 4.652 -0.542 2 1 1817 . 1 1 A 204 204 GLU C C 204 176.300 175.491 0.809 2 1 1818 . 1 1 A 204 204 GLU CA C 204 57.300 56.320 0.980 2 1 1819 . 1 1 A 204 204 GLU CB C 204 31.100 30.996 0.104 2 1 1820 . 1 1 A 204 204 GLU N N 204 120.700 123.400 -2.700 2 1 1821 . 1 1 A 205 205 LEU H H 205 8.690 8.258 0.432 2 1 1822 . 1 1 A 205 205 LEU HA H 205 4.580 5.021 -0.441 2 1 1831 . 1 1 A 205 205 LEU C C 205 176.300 177.319 -1.019 2 1 1832 . 1 1 A 205 205 LEU CA C 205 53.100 53.310 -0.210 2 1 1833 . 1 1 A 205 205 LEU CB C 205 41.100 45.315 -4.215 2 1 1834 . 1 1 A 205 205 LEU N N 205 125.500 122.238 3.262 2 1 1835 . 1 1 A 206 206 THR H H 206 6.800 8.902 -2.102 2 1 1836 . 1 1 A 206 206 THR HA H 206 4.370 3.933 0.437 2 1 1841 . 1 1 A 206 206 THR C C 206 175.200 176.144 -0.944 2 1 1842 . 1 1 A 206 206 THR CA C 206 59.400 65.852 -6.452 2 1 1843 . 1 1 A 206 206 THR CB C 206 70.400 68.784 1.616 2 1 1844 . 1 1 A 206 206 THR N N 206 108.200 119.754 -11.554 2 1 1845 . 1 1 A 207 207 ALA H H 207 9.320 8.292 1.028 2 1 1846 . 1 1 A 207 207 ALA HA H 207 4.010 3.868 0.142 2 1 1850 . 1 1 A 207 207 ALA C C 207 180.800 179.953 0.847 2 1 1851 . 1 1 A 207 207 ALA CA C 207 56.000 55.165 0.835 2 1 1852 . 1 1 A 207 207 ALA CB C 207 18.200 18.015 0.185 2 1 1853 . 1 1 A 207 207 ALA N N 207 125.300 123.048 2.252 2 1 1854 . 1 1 A 208 208 GLU H H 208 9.390 8.165 1.225 2 1 1855 . 1 1 A 208 208 GLU HA H 208 4.050 4.043 0.007 2 1 1859 . 1 1 A 208 208 GLU C C 208 179.100 178.910 0.190 2 1 1860 . 1 1 A 208 208 GLU CA C 208 60.200 59.355 0.844 2 1 1861 . 1 1 A 208 208 GLU CB C 208 29.100 29.201 -0.101 2 1 1862 . 1 1 A 208 208 GLU N N 208 118.500 118.658 -0.158 2 1 1863 . 1 1 A 209 209 ARG H H 209 7.700 8.918 -1.218 2 1 1864 . 1 1 A 209 209 ARG HA H 209 4.230 4.080 0.150 2 1 1867 . 1 1 A 209 209 ARG C C 209 180.000 178.630 1.370 2 1 1868 . 1 1 A 209 209 ARG CA C 209 57.900 58.993 -1.093 2 1 1869 . 1 1 A 209 209 ARG CB C 209 30.100 30.158 -0.058 2 1 1870 . 1 1 A 209 209 ARG N N 209 119.700 119.775 -0.075 2 1 1871 . 1 1 A 210 210 ILE H H 210 8.540 7.525 1.015 2 1 1872 . 1 1 A 210 210 ILE HA H 210 3.950 3.838 0.112 2 1 1880 . 1 1 A 210 210 ILE C C 210 178.000 178.087 -0.087 2 1 1881 . 1 1 A 210 210 ILE CA C 210 65.400 64.247 1.153 2 1 1882 . 1 1 A 210 210 ILE CB C 210 38.300 37.484 0.816 2 1 1883 . 1 1 A 210 210 ILE N N 210 122.000 117.893 4.107 2 1 1884 . 1 1 A 211 211 THR H H 211 8.620 8.503 0.117 2 1 1885 . 1 1 A 211 211 THR HA H 211 4.040 3.886 0.154 2 1 1890 . 1 1 A 211 211 THR C C 211 175.300 176.294 -0.994 2 1 1891 . 1 1 A 211 211 THR CA C 211 67.800 66.856 0.944 2 1 1892 . 1 1 A 211 211 THR CB C 211 68.300 68.258 0.042 2 1 1893 . 1 1 A 211 211 THR N N 211 117.100 117.588 -0.488 2 1 1894 . 1 1 A 212 212 GLU H H 212 8.050 8.046 0.004 2 1 1895 . 1 1 A 212 212 GLU HA H 212 4.280 3.973 0.307 2 1 1898 . 1 1 A 212 212 GLU C C 212 177.200 179.339 -2.139 2 1 1899 . 1 1 A 212 212 GLU CA C 212 59.700 59.429 0.271 2 1 1900 . 1 1 A 212 212 GLU CB C 212 30.300 29.351 0.949 2 1 1901 . 1 1 A 212 212 GLU N N 212 121.600 121.131 0.469 2 1 1902 . 1 1 A 213 213 PHE H H 213 7.890 7.973 -0.083 2 1 1903 . 1 1 A 213 213 PHE HA H 213 4.620 4.319 0.300 2 1 1906 . 1 1 A 213 213 PHE C C 213 176.300 178.361 -2.061 2 1 1907 . 1 1 A 213 213 PHE CA C 213 59.300 60.700 -1.400 2 1 1908 . 1 1 A 213 213 PHE CB C 213 38.700 38.373 0.327 2 1 1909 . 1 1 A 213 213 PHE N N 213 119.700 119.269 0.431 2 1 1910 . 1 1 A 214 214 CYS H H 214 7.700 7.988 -0.288 2 1 1911 . 1 1 A 214 214 CYS HA H 214 3.260 3.917 -0.657 2 1 1914 . 1 1 A 214 214 CYS C C 214 177.000 177.301 -0.301 2 1 1915 . 1 1 A 214 214 CYS CA C 214 64.500 63.630 0.870 2 1 1916 . 1 1 A 214 214 CYS CB C 214 27.400 26.430 0.970 2 1 1917 . 1 1 A 214 214 CYS N N 214 116.000 117.713 -1.713 2 1 1918 . 1 1 A 215 215 HIS H H 215 8.640 8.292 0.348 2 1 1919 . 1 1 A 215 215 HIS HA H 215 4.500 4.165 0.335 2 1 1922 . 1 1 A 215 215 HIS C C 215 178.100 177.068 1.032 2 1 1923 . 1 1 A 215 215 HIS CA C 215 60.300 60.229 0.071 2 1 1924 . 1 1 A 215 215 HIS CB C 215 30.300 29.570 0.730 2 1 1925 . 1 1 A 215 215 HIS N N 215 118.100 119.793 -1.693 2 1 1926 . 1 1 A 216 216 ARG H H 216 8.730 8.152 0.578 2 1 1927 . 1 1 A 216 216 ARG HA H 216 3.920 3.785 0.135 2 1 1930 . 1 1 A 216 216 ARG C C 216 179.100 178.776 0.324 2 1 1931 . 1 1 A 216 216 ARG CA C 216 59.800 59.651 0.149 2 1 1932 . 1 1 A 216 216 ARG CB C 216 30.100 29.695 0.405 2 1 1933 . 1 1 A 216 216 ARG N N 216 118.700 118.212 0.488 2 1 1934 . 1 1 A 217 217 PHE H H 217 8.390 7.975 0.415 2 1 1935 . 1 1 A 217 217 PHE HA H 217 3.970 4.141 -0.171 2 1 1938 . 1 1 A 217 217 PHE C C 217 179.200 177.396 1.804 2 1 1939 . 1 1 A 217 217 PHE CA C 217 60.700 61.126 -0.426 2 1 1940 . 1 1 A 217 217 PHE CB C 217 37.800 39.071 -1.270 2 1 1941 . 1 1 A 217 217 PHE N N 217 120.600 120.562 0.038 2 1 1942 . 1 1 A 218 218 LEU H H 218 8.250 8.657 -0.407 2 1 1943 . 1 1 A 218 218 LEU HA H 218 3.500 4.123 -0.623 2 1 1953 . 1 1 A 218 218 LEU C C 218 178.800 178.145 0.655 2 1 1954 . 1 1 A 218 218 LEU CA C 218 57.400 57.157 0.243 2 1 1955 . 1 1 A 218 218 LEU CB C 218 41.300 41.372 -0.072 2 1 1956 . 1 1 A 218 218 LEU N N 218 123.500 119.243 4.257 2 1 1957 . 1 1 A 219 219 GLU H H 219 7.770 7.611 0.159 2 1 1958 . 1 1 A 219 219 GLU HA H 219 4.200 4.401 -0.201 2 1 1963 . 1 1 A 219 219 GLU C C 219 176.800 176.746 0.054 2 1 1964 . 1 1 A 219 219 GLU CA C 219 56.200 56.330 -0.130 2 1 1965 . 1 1 A 219 219 GLU CB C 219 30.600 30.066 0.535 2 1 1966 . 1 1 A 219 219 GLU N N 219 116.400 117.798 -1.398 2 1 1967 . 1 1 A 220 220 GLY H H 220 7.720 7.924 -0.204 2 1 1968 . 1 1 A 220 220 GLY HA2 H 220 3.890 3.883 0.007 2 1 1969 . 1 1 A 220 220 GLY HA3 H 220 3.960 3.918 0.041 2 1 1970 . 1 1 A 220 220 GLY C C 220 176.300 174.752 1.548 2 1 1971 . 1 1 A 220 220 GLY CA C 220 46.300 46.279 0.021 2 1 1972 . 1 1 A 220 220 GLY N N 220 108.600 108.938 -0.338 2 1 1973 . 1 1 A 221 221 LYS H H 221 8.000 7.289 0.711 2 1 1974 . 1 1 A 221 221 LYS HA H 221 4.320 4.320 0.000 2 1 1981 . 1 1 A 221 221 LYS N N 221 116.600 120.449 -3.849 2 1 1983 . 1 1 A 222 222 ILE HA H 222 4.570 4.265 0.305 2 1 1997 . 1 1 A 223 223 LYS HA H 223 4.570 4.601 -0.031 2 1 2017 . 1 1 A 227 227 MET C C 227 175.100 175.344 -0.244 2 1 2020 . 1 1 A 227 227 MET N N 227 120.800 122.323 -1.523 2 1 2025 . 2 1 A 2 2 PRO C C 2 176.900 176.192 0.708 2 1 2026 . 2 1 A 2 2 PRO CA C 2 63.300 63.059 0.241 2 1 2027 . 2 1 A 2 2 PRO CB C 2 32.200 30.681 1.519 2 1 2028 . 2 1 A 3 3 LEU H H 3 8.510 8.159 0.351 2 1 2029 . 2 1 A 3 3 LEU C C 3 177.700 176.556 1.143 2 1 2030 . 2 1 A 3 3 LEU CA C 3 55.300 54.348 0.952 2 1 2031 . 2 1 A 3 3 LEU CB C 3 42.100 43.715 -1.615 2 1 2032 . 2 1 A 3 3 LEU N N 3 121.400 121.852 -0.452 2 1 2033 . 2 1 A 4 4 GLY H H 4 8.190 8.206 -0.015 2 1 2034 . 2 1 A 4 4 GLY C C 4 172.900 173.011 -0.111 2 1 2035 . 2 1 A 4 4 GLY CA C 4 45.200 45.313 -0.113 2 1 2036 . 2 1 A 4 4 GLY N N 4 109.400 110.469 -1.069 2 1 2037 . 2 1 A 5 5 SER H H 5 7.830 8.226 -0.396 2 1 2038 . 2 1 A 5 5 SER CA C 5 55.500 55.402 0.098 2 1 2039 . 2 1 A 5 5 SER CB C 5 64.100 64.888 -0.788 2 1 2040 . 2 1 A 5 5 SER N N 5 115.400 115.922 -0.522 2 1 2041 . 2 1 A 221 221 LYS C C 221 176.800 175.853 0.947 2 1 2042 . 2 1 A 221 221 LYS CA C 221 56.100 56.081 0.019 2 1 2043 . 2 1 A 221 221 LYS CB C 221 32.500 33.757 -1.257 2 1 2044 . 2 1 A 222 222 ILE H H 222 7.630 8.403 -0.773 2 1 2045 . 2 1 A 222 222 ILE C C 222 175.800 175.767 0.033 2 1 2046 . 2 1 A 222 222 ILE CA C 222 61.300 60.626 0.674 2 1 2047 . 2 1 A 222 222 ILE CB C 222 38.500 39.413 -0.913 2 1 2048 . 2 1 A 222 222 ILE N N 222 118.900 121.395 -2.495 2 1 2049 . 2 1 A 223 223 LYS H H 223 8.080 8.499 -0.420 2 1 2050 . 2 1 A 223 223 LYS CA C 223 54.300 54.218 0.082 2 1 2051 . 2 1 A 223 223 LYS CB C 223 32.400 32.447 -0.047 2 1 2052 . 2 1 A 223 223 LYS N N 223 125.500 124.764 0.736 2 1 2053 . 2 1 A 224 224 PRO C C 224 176.700 176.668 0.032 2 1 2054 . 2 1 A 224 224 PRO CA C 224 63.400 63.763 -0.363 2 1 2055 . 2 1 A 224 224 PRO CB C 224 31.800 32.480 -0.680 2 1 2056 . 2 1 A 225 225 HIS H H 225 8.330 8.216 0.114 2 1 2057 . 2 1 A 225 225 HIS C C 225 175.000 174.522 0.479 2 1 2058 . 2 1 A 225 225 HIS CA C 225 56.100 56.166 -0.066 2 1 2059 . 2 1 A 225 225 HIS CB C 225 30.300 30.536 -0.236 2 1 2060 . 2 1 A 225 225 HIS N N 225 119.000 117.779 1.221 2 1 2061 . 2 1 A 226 226 LEU H H 226 8.030 8.583 -0.553 2 1 2062 . 2 1 A 226 226 LEU C C 226 176.800 175.948 0.852 2 1 2063 . 2 1 A 226 226 LEU CA C 226 55.000 54.168 0.832 2 1 2064 . 2 1 A 226 226 LEU CB C 226 42.300 43.587 -1.287 2 1 2065 . 2 1 A 226 226 LEU N N 226 123.200 121.997 1.203 2 1 2066 . 2 1 A 227 227 MET H H 227 8.280 8.501 -0.221 2 1 2067 . 2 1 A 227 227 MET CA C 227 55.300 55.676 -0.376 2 1 2068 . 2 1 A 227 227 MET CB C 227 32.900 33.872 -0.972 2 stop_ save_